#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ag6 s THR 2 N 0.00 4.85 0.31 3.17 2.01 -1.26 -5.00 115.64 119.71 3ag6 s THR 2 Ca 0.00 1.92 -0.29 0.00 0.31 0.00 0.00 61.69 63.63 3ag6 s THR 2 Cb 0.00 -4.26 -0.10 0.00 0.01 0.00 0.00 72.50 68.16 3ag6 s THR 2 CO 0.00 0.08 1.15 -0.54 -0.69 0.00 0.00 174.62 174.62 3ag6 s LYS 3 N 1.62 4.51 -0.37 4.92 1.02 -0.72 -4.86 119.74 125.86 3ag6 s LYS 3 Ca 0.47 1.90 -0.10 0.00 0.02 0.00 0.00 55.97 58.26 3ag6 s LYS 3 Cb -0.19 -3.10 0.03 0.00 -0.52 0.00 0.00 37.83 34.05 3ag6 s LYS 3 CO 0.20 0.06 0.18 -1.17 -0.92 0.00 0.00 175.35 173.71 3ag6 s LEU 4 N -1.65 4.64 -0.29 3.17 2.96 -1.26 -0.86 118.68 125.39 3ag6 s LEU 4 Ca 0.47 -1.04 -0.12 0.00 -0.22 0.00 0.00 54.13 53.22 3ag6 s LEU 4 Cb -0.33 -1.99 -0.04 0.00 0.50 0.00 0.00 46.19 44.32 3ag6 s LEU 4 CO 0.43 -0.38 0.21 -0.63 -1.32 0.00 0.00 176.35 174.67 3ag6 s ILE 5 N 1.52 5.30 -1.08 6.68 -1.09 -0.39 -4.98 121.20 127.15 3ag6 s ILE 5 Ca 0.01 0.12 0.22 0.00 -2.23 0.00 0.00 60.65 58.78 3ag6 s ILE 5 Cb -0.19 -3.58 -0.13 0.00 -1.58 0.00 0.00 42.46 36.97 3ag6 s ILE 5 CO 0.06 0.19 1.08 0.35 -1.23 0.00 0.00 174.94 175.39 3ag6 n THR 6 N 5.07 0.00 -4.22 2.92 -2.24 -1.26 -1.32 114.28 113.23 3ag6 n THR 6 Ca -0.13 -0.02 -0.20 0.00 -2.27 0.00 0.00 64.05 61.42 3ag6 n THR 6 Cb 0.51 0.78 -0.12 0.00 -2.10 0.00 0.00 70.33 69.41 3ag6 n THR 6 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3ag6 s THR 7 N -2.96 1.36 0.20 4.28 -4.23 -1.26 -4.06 115.64 108.97 3ag6 s THR 7 Ca 0.10 -1.45 -0.12 0.00 -1.18 0.00 0.00 61.69 59.04 3ag6 s THR 7 Cb 0.17 -1.31 0.12 0.00 1.34 0.00 0.00 72.50 72.81 3ag6 s THR 7 CO 0.79 -0.19 1.85 0.58 -0.54 0.00 0.00 174.62 177.11 3ag6 h VAL 8 N 4.10 1.11 -0.13 2.29 2.07 -1.93 -1.79 116.25 121.97 3ag6 h VAL 8 Ca -0.43 -0.28 0.02 0.00 0.82 0.00 0.00 66.70 66.84 3ag6 h VAL 8 Cb 1.19 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 3ag6 h VAL 8 CO 0.41 0.15 -0.01 0.50 0.02 0.00 0.00 177.57 178.64 3ag6 h LYS 9 N 0.82 0.03 -0.58 1.57 3.11 -1.97 0.04 116.57 119.58 3ag6 h LYS 9 Ca 0.25 -0.00 -0.07 0.00 -2.81 0.00 0.00 60.65 58.02 3ag6 h LYS 9 Cb -0.03 -0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 31.17 3ag6 h LYS 9 CO -0.08 0.02 0.08 1.49 -2.81 0.00 0.00 179.45 178.15 3ag6 h GLU 10 N 0.03 0.98 0.14 1.90 4.81 -1.95 -1.35 114.58 119.14 3ag6 h GLU 10 Ca 0.06 -0.27 -0.00 0.00 -0.13 0.00 0.00 59.36 59.02 3ag6 h GLU 10 Cb 0.08 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.34 3ag6 h GLU 10 CO -0.11 0.93 -0.09 1.98 -0.73 0.00 0.00 179.01 180.99 3ag6 h MET 11 N 0.87 -0.22 -0.88 1.92 4.05 -1.01 -1.78 114.93 117.88 3ag6 h MET 11 Ca 0.18 0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.60 3ag6 h MET 11 Cb 0.44 0.05 -0.04 0.00 -0.80 0.00 0.00 31.60 31.25 3ag6 h MET 11 CO 0.01 -0.15 0.51 1.96 0.23 0.00 0.00 176.91 179.47 3ag6 h GLN 12 N -0.23 1.21 -0.63 0.39 4.20 -0.91 -1.45 115.11 117.69 3ag6 h GLN 12 Ca -0.01 -0.12 -0.02 0.00 0.06 0.00 0.00 58.65 58.55 3ag6 h GLN 12 Cb 0.20 -0.25 -0.03 0.00 0.30 0.00 0.00 27.48 27.70 3ag6 h GLN 12 CO 0.01 0.86 0.29 1.25 -0.67 0.00 0.00 178.83 180.58 3ag6 h HIS 13 N 1.22 0.88 -0.15 2.96 2.76 -1.01 0.85 115.15 122.66 3ag6 h HIS 13 Ca 0.31 -0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 58.41 3ag6 h HIS 13 Cb -0.02 -0.28 -0.00 0.00 1.55 0.00 0.00 27.41 28.66 3ag6 h HIS 13 CO 0.01 0.65 -0.09 0.82 -1.30 0.00 0.00 177.93 178.02 3ag6 h ILE 14 N 0.89 1.32 -0.34 6.26 2.04 -0.68 -3.02 117.51 123.98 3ag6 h ILE 14 Ca 0.22 -1.15 -0.13 0.00 1.00 0.00 0.00 64.86 64.80 3ag6 h ILE 14 Cb 0.10 1.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.94 3ag6 h ILE 14 CO -0.03 0.34 -0.30 0.58 0.00 0.00 0.00 178.15 178.74 3ag6 h VAL 15 N -0.02 1.28 -0.71 1.67 2.07 -1.02 -1.97 116.25 117.54 3ag6 h VAL 15 Ca 0.03 -1.44 -0.00 0.00 0.82 0.00 0.00 66.70 66.11 3ag6 h VAL 15 Cb 0.57 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.65 3ag6 h VAL 15 CO 0.02 0.47 0.44 0.11 0.02 0.00 0.00 177.57 178.64 3ag6 h LYS 16 N 0.61 0.96 -0.55 1.57 1.57 -0.88 0.41 116.57 120.26 3ag6 h LYS 16 Ca 0.07 -0.08 -0.11 0.00 -1.87 0.00 0.00 60.65 58.66 3ag6 h LYS 16 Cb 0.82 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.91 3ag6 h LYS 16 CO 0.07 0.67 -0.09 0.00 -0.57 0.00 0.00 179.45 179.53 3ag6 h ALA 17 N 1.23 0.80 -0.28 3.86 0.00 -1.42 -1.06 119.26 122.39 3ag6 h ALA 17 Ca 0.26 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 3ag6 h ALA 17 Cb -0.05 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3ag6 h ALA 17 CO -0.05 0.67 -0.04 0.00 0.00 0.00 0.00 179.25 179.83 3ag6 h ALA 18 N 0.97 0.38 -0.66 0.00 0.00 -0.85 -2.77 119.26 116.33 3ag6 h ALA 18 Ca 0.15 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 3ag6 h ALA 18 Cb 0.65 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 3ag6 h ALA 18 CO 0.04 0.17 0.21 0.87 0.00 0.00 0.00 179.25 180.54 3ag6 h LYS 19 N 0.29 1.03 0.00 0.00 1.79 -0.07 -2.07 116.57 117.53 3ag6 h LYS 19 Ca 0.07 -0.22 0.00 0.00 -2.18 0.00 0.00 60.65 58.32 3ag6 h LYS 19 Cb 0.50 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 31.01 3ag6 h LYS 19 CO 0.02 0.90 0.00 2.89 -1.08 0.00 0.00 179.45 182.18 3ag6 n ARG 20 N -4.34 0.09 -3.49 3.15 1.85 -0.41 -4.58 116.66 108.92 3ag6 n ARG 20 Ca 0.04 0.18 -0.23 0.00 -1.00 0.00 0.00 57.85 56.84 3ag6 n ARG 20 Cb 0.22 -1.50 0.03 0.00 -1.05 0.00 0.00 32.46 30.15 3ag6 n ARG 20 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 3ag6 s SER 21 N -2.85 4.84 0.00 2.89 1.04 -0.78 -5.01 113.70 113.83 3ag6 s SER 21 Ca 0.11 -1.07 0.23 0.00 0.48 0.00 0.00 55.95 55.70 3ag6 s SER 21 Cb 0.11 0.39 1.40 0.00 0.10 0.00 0.00 66.02 68.02 3ag6 s SER 21 CO 0.29 -1.23 1.89 0.61 0.98 0.00 0.00 173.24 175.78 3ag6 n GLY 22 N -2.00 -0.98 3.67 7.32 0.00 -1.26 -4.90 105.19 107.04 3ag6 n GLY 22 Ca 0.06 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 3ag6 n GLY 22 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3ag6 s THR 23 N -2.00 3.14 0.24 2.61 -1.32 -1.21 -4.99 115.64 112.11 3ag6 s THR 23 Ca 0.35 0.36 -0.30 0.00 -1.21 0.00 0.00 61.69 60.90 3ag6 s THR 23 Cb 0.16 -3.24 -0.09 0.00 -1.51 0.00 0.00 72.50 67.83 3ag6 s THR 23 CO 0.27 -0.02 0.94 0.42 -2.21 0.00 0.00 174.62 174.02 3ag6 s THR 24 N 3.60 4.07 -0.11 5.08 -4.23 -1.26 -4.52 115.64 118.26 3ag6 s THR 24 Ca 0.79 2.08 0.02 0.00 -1.18 0.00 0.00 61.69 63.40 3ag6 s THR 24 Cb -0.39 -4.32 -0.01 0.00 1.34 0.00 0.00 72.50 69.12 3ag6 s THR 24 CO 0.35 0.49 -0.20 -0.63 -0.54 0.00 0.00 174.62 174.09 3ag6 s ILE 25 N -1.19 2.45 -0.11 2.99 1.01 -1.26 -2.15 121.20 122.95 3ag6 s ILE 25 Ca 0.41 -0.88 -0.02 0.00 0.00 0.00 0.00 60.65 60.16 3ag6 s ILE 25 Cb -0.26 -1.98 -0.03 0.00 0.01 0.00 0.00 42.46 40.20 3ag6 s ILE 25 CO 0.32 0.55 -0.02 -0.83 0.00 0.00 0.00 174.94 174.96 3ag6 s GLY 26 N 0.35 1.79 -0.06 6.18 0.00 -0.32 -0.83 107.32 114.43 3ag6 s GLY 26 Ca -0.16 -0.82 0.02 0.00 0.00 0.00 0.00 44.72 43.76 3ag6 s GLY 26 CO 0.08 -0.41 -0.10 -0.12 0.00 0.00 0.00 173.10 172.55 3ag6 s PHE 27 N -0.44 1.21 -0.36 1.90 5.36 0.44 -0.71 117.98 125.38 3ag6 s PHE 27 Ca 0.08 -0.41 0.03 0.00 -0.96 0.00 0.00 56.93 55.66 3ag6 s PHE 27 Cb -0.12 -0.92 0.11 0.00 -0.34 0.00 0.00 43.02 41.74 3ag6 s PHE 27 CO 0.02 -0.23 0.10 0.42 -1.46 0.00 0.00 175.22 174.06 3ag6 s ILE 28 N 0.69 1.97 0.10 3.12 1.09 -0.30 -0.86 121.20 127.00 3ag6 s ILE 28 Ca -0.13 -2.27 -0.30 0.00 -1.10 0.00 0.00 60.65 56.85 3ag6 s ILE 28 Cb -0.15 -2.44 -0.06 0.00 -1.06 0.00 0.00 42.46 38.75 3ag6 s ILE 28 CO 0.03 -0.66 1.02 -2.16 -0.10 0.00 0.00 174.94 173.07 3ag6 s PRO 29 N 0.88 4.63 0.25 2.79 0.04 -1.26 -2.03 135.00 140.30 3ag6 s PRO 29 Ca 0.12 1.54 -0.04 0.00 0.04 0.00 0.00 61.00 62.66 3ag6 s PRO 29 Cb -0.20 -3.37 -0.02 0.00 0.04 0.00 0.00 34.50 30.96 3ag6 s PRO 29 CO -0.10 0.09 0.31 0.95 0.04 0.00 0.00 177.00 178.29 3ag6 s THR 30 N 0.21 0.00 -0.21 1.26 -4.23 -0.28 -4.91 115.64 107.48 3ag6 s THR 30 Ca 0.49 -1.75 0.15 0.00 -1.18 0.00 0.00 61.69 59.40 3ag6 s THR 30 Cb -0.25 -2.44 0.49 0.00 1.34 0.00 0.00 72.50 71.64 3ag6 s THR 30 CO 0.31 0.00 1.40 0.23 -0.54 0.00 0.00 174.62 176.01 3ag6 n MET 31 N -0.40 2.34 0.00 3.99 2.81 -1.26 -1.72 117.12 122.88 3ag6 n MET 31 Ca 0.01 -2.92 0.00 0.00 -1.81 0.00 0.00 57.70 52.99 3ag6 n MET 31 Cb 0.64 -1.79 0.00 0.00 -0.71 0.00 0.00 33.22 31.36 3ag6 n MET 31 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3ag6 n GLY 32 N -0.84 -2.07 3.64 3.03 0.00 -1.26 -4.49 105.19 103.20 3ag6 n GLY 32 Ca 0.24 -1.42 -0.22 0.00 0.00 0.00 0.00 46.02 44.62 3ag6 n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ag6 n ALA 33 N 0.11 -2.13 -1.78 4.61 0.00 -1.26 -4.86 120.51 115.21 3ag6 n ALA 33 Ca 0.00 -0.14 -0.41 0.00 0.00 0.00 0.00 53.44 52.89 3ag6 n ALA 33 Cb 0.00 -2.58 -0.00 0.00 0.00 0.00 0.00 19.45 16.87 3ag6 n ALA 33 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3ag6 s LEU 34 N -6.52 4.33 0.41 0.00 1.43 -1.26 -4.53 118.68 112.54 3ag6 s LEU 34 Ca 0.10 3.02 0.04 0.00 -1.03 0.00 0.00 54.13 56.27 3ag6 s LEU 34 Cb -0.03 -3.66 -0.02 0.00 0.03 0.00 0.00 46.19 42.51 3ag6 s LEU 34 CO 0.81 -0.87 0.14 -1.38 0.23 0.00 0.00 176.35 175.29 3ag6 s HIS 35 N -0.97 1.78 -0.00 0.29 -3.43 -1.26 -4.98 115.29 106.72 3ag6 s HIS 35 Ca 0.54 -1.33 0.28 0.00 -0.80 0.00 0.00 55.06 53.75 3ag6 s HIS 35 Cb -0.46 -1.13 1.48 0.00 -1.43 0.00 0.00 32.58 31.03 3ag6 s HIS 35 CO 0.61 -0.35 1.86 0.22 -2.00 0.00 0.00 174.74 175.07 3ag6 h ASP 36 N 1.77 0.00 -0.33 7.38 3.58 -1.97 -0.66 116.42 126.19 3ag6 h ASP 36 Ca -0.34 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.03 3ag6 h ASP 36 Cb 1.27 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.31 3ag6 h ASP 36 CO 0.54 0.00 -0.12 1.23 -2.88 0.00 0.00 179.24 178.01 3ag6 h GLY 37 N 0.33 0.71 0.69 -0.78 0.00 -1.92 -1.00 103.07 101.10 3ag6 h GLY 37 Ca 0.00 -0.62 -0.04 0.00 0.00 0.00 0.00 47.33 46.67 3ag6 h GLY 37 CO 0.00 0.56 -0.10 0.45 0.00 0.00 0.00 176.54 177.46 3ag6 h HIS 38 N 0.43 0.31 -0.24 5.60 3.86 -1.56 -3.20 115.15 120.36 3ag6 h HIS 38 Ca 0.08 -0.09 0.02 0.00 -1.16 0.00 0.00 60.37 59.21 3ag6 h HIS 38 Cb 0.64 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 29.03 3ag6 h HIS 38 CO 0.06 0.66 0.16 -0.07 0.86 0.00 0.00 177.93 179.60 3ag6 h LEU 39 N -0.13 0.22 -0.89 2.43 3.38 -1.29 -1.58 115.31 117.44 3ag6 h LEU 39 Ca 0.02 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 3ag6 h LEU 39 Cb 0.61 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 3ag6 h LEU 39 CO 0.02 0.15 0.48 0.74 0.09 0.00 0.00 178.44 179.93 3ag6 h THR 40 N 0.25 1.26 -0.21 0.22 2.02 -1.17 0.17 112.91 115.46 3ag6 h THR 40 Ca 0.09 -0.66 -0.16 0.00 0.77 0.00 0.00 66.41 66.45 3ag6 h THR 40 Cb 0.07 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.53 3ag6 h THR 40 CO -0.02 0.30 -0.52 0.24 0.37 0.00 0.00 175.52 175.89 3ag6 h MET 41 N 1.26 0.60 -0.33 6.66 2.86 -1.37 -2.05 114.93 122.55 3ag6 h MET 41 Ca 0.31 -0.36 -0.03 0.00 -2.06 0.00 0.00 59.70 57.56 3ag6 h MET 41 Cb 0.04 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 3ag6 h MET 41 CO -0.05 0.97 0.09 0.28 1.06 0.00 0.00 176.91 179.26 3ag6 h VAL 42 N 0.47 1.22 -0.95 -2.22 2.07 -0.75 -1.34 116.25 114.75 3ag6 h VAL 42 Ca 0.02 -0.72 -0.00 0.00 0.82 0.00 0.00 66.70 66.81 3ag6 h VAL 42 Cb 1.06 1.07 -0.05 0.00 -1.52 0.00 0.00 31.29 31.85 3ag6 h VAL 42 CO 0.10 0.24 0.57 0.03 0.02 0.00 0.00 177.57 178.54 3ag6 h ARG 43 N 0.37 1.28 -0.05 1.57 3.08 -0.62 -0.07 114.38 119.95 3ag6 h ARG 43 Ca 0.10 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3ag6 h ARG 43 Cb 0.28 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 3ag6 h ARG 43 CO -0.00 0.90 0.02 1.49 -1.07 0.00 0.00 179.97 181.30 3ag6 h GLU 44 N 1.30 0.04 -0.64 0.04 4.57 -1.09 -2.35 114.58 116.45 3ag6 h GLU 44 Ca 0.34 -0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.50 3ag6 h GLU 44 Cb -0.06 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.49 3ag6 h GLU 44 CO -0.06 0.03 0.32 1.03 -1.18 0.00 0.00 179.01 179.14 3ag6 h SER 45 N 0.04 0.83 0.14 1.04 0.87 -0.79 -2.66 113.55 113.01 3ag6 h SER 45 Ca 0.02 -0.12 -0.03 0.00 -1.23 0.00 0.00 61.79 60.43 3ag6 h SER 45 Cb 0.01 -0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 61.75 3ag6 h SER 45 CO -0.02 0.71 -0.12 0.58 -0.53 0.00 0.00 176.83 177.45 3ag6 h VAL 46 N 0.88 1.05 -0.01 2.23 2.07 -0.83 0.28 116.25 121.92 3ag6 h VAL 46 Ca 0.22 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.31 3ag6 h VAL 46 Cb 0.09 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 3ag6 h VAL 46 CO -0.03 0.12 -0.11 -1.54 0.02 0.00 0.00 177.57 176.04 3ag6 n SER 47 N -4.33 1.10 0.00 0.57 3.41 -0.90 -4.39 113.62 109.08 3ag6 n SER 47 Ca -0.03 -1.13 0.00 0.00 -0.26 0.00 0.00 58.87 57.46 3ag6 n SER 47 Cb 0.20 0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 3ag6 n SER 47 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3ag6 n THR 48 N -0.34 0.00 -4.03 6.66 -1.04 -0.69 -5.09 114.28 109.75 3ag6 n THR 48 Ca 0.16 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 61.94 3ag6 n THR 48 Cb 0.33 -0.50 -0.04 0.00 -1.82 0.00 0.00 70.33 68.30 3ag6 n THR 48 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 3ag6 s ASN 49 N -3.84 5.94 0.12 8.00 -0.87 0.91 -5.03 114.94 120.17 3ag6 s ASN 49 Ca 0.00 -0.03 -0.17 0.00 -1.57 0.00 0.00 52.86 51.08 3ag6 s ASN 49 Cb 0.00 -1.66 -0.03 0.00 -0.02 0.00 0.00 41.25 39.54 3ag6 s ASN 49 CO 0.00 -0.00 1.69 0.44 -2.57 0.00 0.00 177.10 176.66 3ag6 h ASP 50 N 1.74 0.43 -4.42 -1.22 3.45 -1.79 -3.44 116.42 111.17 3ag6 h ASP 50 Ca -0.49 -0.13 -0.34 0.00 0.43 0.00 0.00 57.03 56.50 3ag6 h ASP 50 Cb 1.22 -0.11 -0.24 0.00 -0.56 0.00 0.00 39.33 39.64 3ag6 h ASP 50 CO 0.63 0.44 -0.76 0.27 -1.57 0.00 0.00 179.24 178.25 3ag6 s ILE 51 N -5.69 0.69 -0.11 0.35 -4.36 -0.91 -5.00 121.20 106.16 3ag6 s ILE 51 Ca -0.13 -0.86 0.02 0.00 -0.26 0.00 0.00 60.65 59.42 3ag6 s ILE 51 Cb 0.09 -0.68 0.01 0.00 1.25 0.00 0.00 42.46 43.14 3ag6 s ILE 51 CO 0.73 -0.15 -0.19 -0.89 0.24 0.00 0.00 174.94 174.68 3ag6 s THR 52 N -0.92 1.77 -0.08 8.37 2.01 -1.26 -1.18 115.64 124.36 3ag6 s THR 52 Ca -0.04 -0.82 0.03 0.00 0.31 0.00 0.00 61.69 61.18 3ag6 s THR 52 Cb -0.07 -1.58 -0.02 0.00 0.01 0.00 0.00 72.50 70.84 3ag6 s THR 52 CO 0.01 0.50 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.63 3ag6 s ILE 53 N 0.78 2.80 -0.14 1.82 1.01 0.11 -1.73 121.20 125.86 3ag6 s ILE 53 Ca -0.10 -0.79 0.02 0.00 0.00 0.00 0.00 60.65 59.78 3ag6 s ILE 53 Cb -0.16 -2.10 0.01 0.00 0.01 0.00 0.00 42.46 40.22 3ag6 s ILE 53 CO 0.01 0.57 -0.20 -0.69 0.00 0.00 0.00 174.94 174.62 3ag6 s VAL 54 N -0.27 1.94 -0.06 2.92 1.01 0.10 -1.14 120.40 124.90 3ag6 s VAL 54 Ca 0.01 -0.91 -0.05 0.00 0.00 0.00 0.00 61.98 61.04 3ag6 s VAL 54 Cb -0.13 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.48 3ag6 s VAL 54 CO 0.03 0.53 0.17 -0.94 0.00 0.00 0.00 175.10 174.88 3ag6 s SER 55 N 0.88 6.38 -0.30 3.32 1.04 -0.86 0.13 113.70 124.29 3ag6 s SER 55 Ca -0.06 0.40 0.01 0.00 0.48 0.00 0.00 55.95 56.77 3ag6 s SER 55 Cb -0.15 -2.03 0.09 0.00 0.10 0.00 0.00 66.02 64.03 3ag6 s SER 55 CO -0.02 0.32 0.05 -0.69 0.98 0.00 0.00 173.24 173.88 3ag6 s VAL 56 N -1.20 1.33 -0.22 5.02 1.01 0.00 -1.13 120.40 125.21 3ag6 s VAL 56 Ca 0.22 -1.56 -0.04 0.00 0.00 0.00 0.00 61.98 60.60 3ag6 s VAL 56 Cb -0.12 -1.91 0.11 0.00 0.00 0.00 0.00 36.38 34.46 3ag6 s VAL 56 CO 0.13 -0.52 0.37 0.12 0.00 0.00 0.00 175.10 175.19 3ag6 s PHE 57 N 1.41 -0.76 -0.65 5.22 5.36 -0.70 -4.41 117.98 123.45 3ag6 s PHE 57 Ca 0.07 1.01 -0.27 0.00 -0.96 0.00 0.00 56.93 56.78 3ag6 s PHE 57 Cb -0.18 0.08 0.02 0.00 -0.34 0.00 0.00 43.02 42.60 3ag6 s PHE 57 CO -0.16 -0.62 1.34 0.08 -1.46 0.00 0.00 175.22 174.40 3ag6 s VAL 58 N 2.55 3.78 -0.57 3.12 1.01 -1.26 -4.42 120.40 124.61 3ag6 s VAL 58 Ca 0.08 0.58 -0.28 0.00 0.00 0.00 0.00 61.98 62.36 3ag6 s VAL 58 Cb -0.14 -4.67 0.01 0.00 0.00 0.00 0.00 36.38 31.58 3ag6 s VAL 58 CO -0.14 -1.48 1.41 0.21 0.00 0.00 0.00 175.10 175.10 3ag6 s ASN 59 N 4.08 6.12 0.53 3.32 2.47 -1.26 -4.91 114.94 125.29 3ag6 s ASN 59 Ca 0.44 0.26 0.21 0.00 0.42 0.00 0.00 52.86 54.19 3ag6 s ASN 59 Cb -0.09 -2.55 1.35 0.00 -1.45 0.00 0.00 41.25 38.51 3ag6 s ASN 59 CO 0.20 -1.72 2.08 1.55 -3.72 0.00 0.00 177.10 175.50 3ag6 h PRO 60 N 11.06 0.00 0.00 0.43 0.13 -1.95 -2.34 132.00 139.33 3ag6 h PRO 60 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 3ag6 h PRO 60 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3ag6 h PRO 60 CO 1.18 0.00 0.00 -0.07 -0.23 0.00 0.00 178.00 178.88 3ag6 h LEU 61 N 0.00 0.00 -3.11 1.56 3.38 -1.91 -2.71 115.31 112.52 3ag6 h LEU 61 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3ag6 h LEU 61 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3ag6 h LEU 61 CO -0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.53 3ag6 n GLN 62 N -3.00 3.61 -4.80 1.13 10.64 -0.88 -4.20 117.38 119.88 3ag6 n GLN 62 Ca -0.01 -2.84 -0.33 0.00 -1.83 0.00 0.00 57.00 51.99 3ag6 n GLN 62 Cb 0.21 -1.84 -0.14 0.00 -0.86 0.00 0.00 30.24 27.61 3ag6 n GLN 62 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 3ag6 s PHE 63 N -1.80 2.78 0.65 2.61 0.40 -1.02 -4.84 117.98 116.77 3ag6 s PHE 63 Ca 0.50 -0.44 -0.07 0.00 -0.60 0.00 0.00 56.93 56.32 3ag6 s PHE 63 Cb 0.32 -1.77 0.03 0.00 0.51 0.00 0.00 43.02 42.11 3ag6 s PHE 63 CO 0.24 -0.05 0.97 0.20 0.70 0.00 0.00 175.22 177.28 3ag6 s GLY 64 N -0.07 1.64 0.37 4.36 0.00 -1.26 -4.98 107.32 107.38 3ag6 s GLY 64 Ca -0.02 -0.75 0.08 0.00 0.00 0.00 0.00 44.72 44.03 3ag6 s GLY 64 CO 0.04 -0.41 1.93 -0.56 0.00 0.00 0.00 173.10 174.10 3ag6 h PRO 65 N -0.40 0.67 -0.52 2.90 0.13 -1.99 -2.43 132.00 130.35 3ag6 h PRO 65 Ca -0.45 -0.04 -0.08 0.00 -0.87 0.00 0.00 66.00 64.56 3ag6 h PRO 65 Cb 1.28 -0.15 -0.05 0.00 0.13 0.00 0.00 31.00 32.21 3ag6 h PRO 65 CO 0.61 0.44 0.08 0.09 -0.23 0.00 0.00 178.00 178.99 3ag6 n ASN 66 N -4.50 4.74 -0.63 1.44 3.02 -1.26 -4.98 115.26 113.09 3ag6 n ASN 66 Ca 0.13 -3.10 0.00 0.00 -0.03 0.00 0.00 54.58 51.58 3ag6 n ASN 66 Cb 0.34 -0.66 0.00 0.00 -0.61 0.00 0.00 39.78 38.85 3ag6 n ASN 66 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3ag6 n GLU 67 N -0.05 2.51 -1.22 3.52 1.02 -0.92 -5.04 120.64 120.45 3ag6 n GLU 67 Ca 0.30 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 57.20 3ag6 n GLU 67 Cb 1.16 0.00 0.17 0.00 -0.02 0.00 0.00 31.44 32.76 3ag6 n GLU 67 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3ag6 n ASP 68 N -0.26 3.98 -0.10 1.62 5.75 -1.26 -4.73 116.55 121.54 3ag6 n ASP 68 Ca 0.00 -3.60 -0.05 0.00 -0.01 0.00 0.00 54.79 51.12 3ag6 n ASP 68 Cb 0.00 -0.84 0.01 0.00 -1.03 0.00 0.00 41.12 39.26 3ag6 n ASP 68 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 3ag6 h PHE 69 N 1.05 -0.13 -0.11 2.11 3.57 -1.96 -1.21 116.94 120.26 3ag6 h PHE 69 Ca 0.63 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 62.12 3ag6 h PHE 69 Cb 2.73 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 41.58 3ag6 h PHE 69 CO 1.57 -0.13 -0.14 -0.44 -2.23 0.00 0.00 178.31 176.94 3ag6 h ASP 70 N 0.03 0.15 0.21 0.41 3.32 -1.99 -3.03 116.42 115.53 3ag6 h ASP 70 Ca 0.17 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.19 3ag6 h ASP 70 Cb 0.26 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.77 3ag6 h ASP 70 CO -0.34 0.32 -0.56 0.00 -1.72 0.00 0.00 179.24 176.93 3ag6 n ALA 71 N -2.49 3.74 -1.62 3.45 0.00 -0.94 -4.96 120.51 117.69 3ag6 n ALA 71 Ca -0.01 -0.48 -0.49 0.00 0.00 0.00 0.00 53.44 52.46 3ag6 n ALA 71 Cb 0.26 -0.98 -0.05 0.00 0.00 0.00 0.00 19.45 18.68 3ag6 n ALA 71 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 3ag6 n TYR 72 N -1.02 1.77 -1.74 0.00 4.19 -0.50 -4.83 117.16 115.04 3ag6 n TYR 72 Ca 0.07 0.51 -0.42 0.00 3.31 0.00 0.00 57.90 61.38 3ag6 n TYR 72 Cb 0.36 -2.40 -0.02 0.00 0.49 0.00 0.00 39.34 37.77 3ag6 n TYR 72 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 3ag6 n PRO 73 N 2.67 2.70 -3.81 2.98 -0.04 -1.26 -4.99 135.00 133.25 3ag6 n PRO 73 Ca 0.17 0.96 -0.27 0.00 -0.04 0.00 0.00 63.50 64.33 3ag6 n PRO 73 Cb 0.24 -2.76 -0.17 0.00 -0.04 0.00 0.00 33.50 30.77 3ag6 n PRO 73 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3ag6 s ARG 74 N -0.06 0.95 -0.44 0.54 0.52 -1.26 -4.35 118.95 114.85 3ag6 s ARG 74 Ca 0.67 -0.32 0.07 0.00 -0.52 0.00 0.00 55.73 55.63 3ag6 s ARG 74 Cb -0.50 -1.77 0.26 0.00 0.52 0.00 0.00 34.95 33.45 3ag6 s ARG 74 CO 0.44 -0.47 0.77 0.00 0.02 0.00 0.00 175.30 176.06 3ag6 n GLN 75 N 5.01 0.79 -0.34 3.54 10.64 -1.26 -5.01 117.38 130.73 3ag6 n GLN 75 Ca -0.10 -2.37 -0.00 0.00 -1.83 0.00 0.00 57.00 52.70 3ag6 n GLN 75 Cb 0.48 -1.36 0.16 0.00 -0.86 0.00 0.00 30.24 28.67 3ag6 n GLN 75 CO 0.00 0.00 0.00 0.97 -1.83 0.00 0.00 177.06 176.20 3ag6 h ILE 76 N 2.53 1.19 -0.64 -0.39 6.09 -1.98 -1.53 117.51 122.77 3ag6 h ILE 76 Ca -0.05 -0.43 0.04 0.00 -1.37 0.00 0.00 64.86 63.05 3ag6 h ILE 76 Cb 0.98 -0.15 -0.05 0.00 0.47 0.00 0.00 36.82 38.07 3ag6 h ILE 76 CO 0.37 0.23 0.38 0.44 -3.07 0.00 0.00 178.15 176.49 3ag6 h ASP 77 N 1.24 0.59 -0.14 2.19 5.19 -1.99 0.19 116.42 123.68 3ag6 h ASP 77 Ca 0.37 0.02 -0.06 0.00 -0.62 0.00 0.00 57.03 56.74 3ag6 h ASP 77 Cb -0.05 -0.11 -0.00 0.00 0.18 0.00 0.00 39.33 39.35 3ag6 h ASP 77 CO -0.10 0.40 -0.14 0.50 -3.12 0.00 0.00 179.24 176.78 3ag6 h LYS 78 N 0.72 0.34 -0.66 3.56 3.64 -1.91 -2.18 116.57 120.08 3ag6 h LYS 78 Ca 0.27 -0.18 0.10 0.00 -1.27 0.00 0.00 60.65 59.57 3ag6 h LYS 78 Cb 0.10 0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 31.85 3ag6 h LYS 78 CO -0.14 0.73 0.28 -0.44 -2.27 0.00 0.00 179.45 177.61 3ag6 h ASP 79 N -0.03 0.33 -0.77 4.20 3.32 -0.92 0.11 116.42 122.66 3ag6 h ASP 79 Ca 0.02 0.07 0.01 0.00 0.02 0.00 0.00 57.03 57.16 3ag6 h ASP 79 Cb 0.66 0.03 -0.04 0.00 0.22 0.00 0.00 39.33 40.20 3ag6 h ASP 79 CO 0.03 0.19 0.50 0.25 -1.72 0.00 0.00 179.24 178.49 3ag6 h LEU 80 N 0.49 0.86 -0.21 1.55 7.12 -0.57 -0.88 115.31 123.67 3ag6 h LEU 80 Ca 0.33 -0.02 -0.02 0.00 0.13 0.00 0.00 57.88 58.30 3ag6 h LEU 80 Cb 0.39 -0.21 -0.01 0.00 -0.53 0.00 0.00 40.66 40.30 3ag6 h LEU 80 CO -0.29 0.62 0.05 -0.33 -0.13 0.00 0.00 178.44 178.35 3ag6 h GLU 81 N 1.02 0.34 -0.82 1.25 5.08 -0.48 -1.00 114.58 119.97 3ag6 h GLU 81 Ca 0.29 -0.09 0.01 0.00 -1.00 0.00 0.00 59.36 58.58 3ag6 h GLU 81 Cb -0.08 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.08 3ag6 h GLU 81 CO -0.08 0.47 0.54 -0.07 -1.00 0.00 0.00 179.01 178.88 3ag6 h LEU 82 N 0.16 0.92 -0.30 1.33 3.38 -0.52 -2.49 115.31 117.78 3ag6 h LEU 82 Ca 0.07 -0.02 -0.20 0.00 0.09 0.00 0.00 57.88 57.82 3ag6 h LEU 82 Cb 0.29 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3ag6 h LEU 82 CO 0.00 0.66 -0.69 0.58 0.09 0.00 0.00 178.44 179.09 3ag6 h VAL 83 N 1.09 1.31 -0.50 1.22 2.07 -1.02 -3.25 116.25 117.16 3ag6 h VAL 83 Ca 0.31 -1.93 0.03 0.00 0.82 0.00 0.00 66.70 65.92 3ag6 h VAL 83 Cb -0.09 1.90 -0.04 0.00 -1.52 0.00 0.00 31.29 31.55 3ag6 h VAL 83 CO -0.07 0.61 0.29 0.28 0.02 0.00 0.00 177.57 178.69 3ag6 h SER 84 N 0.49 0.45 0.41 0.57 0.02 -0.74 -2.01 113.55 112.74 3ag6 h SER 84 Ca -0.02 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.92 3ag6 h SER 84 Cb 1.29 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 63.74 3ag6 h SER 84 CO 0.14 0.32 -0.09 1.05 -1.14 0.00 0.00 176.83 177.10 3ag6 h GLU 85 N 0.57 0.00 0.00 3.45 4.11 -1.55 -1.71 114.58 119.44 3ag6 h GLU 85 Ca 0.21 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.62 3ag6 h GLU 85 Cb 0.05 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 3ag6 h GLU 85 CO -0.11 0.09 -0.30 0.28 0.07 0.00 0.00 179.01 179.04 3ag6 h VAL 86 N 0.00 0.09 0.00 -1.06 2.07 -1.41 -3.48 116.25 112.45 3ag6 h VAL 86 Ca -0.00 -1.13 0.00 0.00 0.82 0.00 0.00 66.70 66.39 3ag6 h VAL 86 Cb 0.32 1.93 0.00 0.00 -1.52 0.00 0.00 31.29 32.02 3ag6 h VAL 86 CO 0.01 0.05 0.00 0.61 0.02 0.00 0.00 177.57 178.26 3ag6 n GLY 87 N 1.14 0.90 3.78 2.17 0.00 -0.64 -4.86 105.19 107.67 3ag6 n GLY 87 Ca 0.03 -0.15 -0.37 0.00 0.00 0.00 0.00 46.02 45.53 3ag6 n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ag6 s ALA 88 N -2.00 3.03 0.00 4.61 0.00 -1.12 -4.89 121.76 121.39 3ag6 s ALA 88 Ca 0.00 0.83 -0.20 0.00 0.00 0.00 0.00 51.96 52.59 3ag6 s ALA 88 Cb 0.00 -3.33 -0.25 0.00 0.00 0.00 0.00 23.12 19.54 3ag6 s ALA 88 CO 0.00 -0.45 1.07 -0.44 0.00 0.00 0.00 175.76 175.94 3ag6 h ASP 89 N 2.25 0.55 -4.71 0.00 3.32 -1.69 -3.41 116.42 112.73 3ag6 h ASP 89 Ca -0.49 -0.79 -0.16 0.00 0.02 0.00 0.00 57.03 55.61 3ag6 h ASP 89 Cb 1.23 -0.17 -0.22 0.00 0.22 0.00 0.00 39.33 40.39 3ag6 h ASP 89 CO 0.61 1.27 -0.57 -0.63 -1.72 0.00 0.00 179.24 178.20 3ag6 s ILE 90 N -3.09 0.07 -0.21 0.35 1.01 -1.01 -1.76 121.20 116.57 3ag6 s ILE 90 Ca -0.13 -0.60 0.00 0.00 0.00 0.00 0.00 60.65 59.93 3ag6 s ILE 90 Cb 0.03 -0.32 0.02 0.00 0.01 0.00 0.00 42.46 42.20 3ag6 s ILE 90 CO 0.83 -0.33 -0.15 -0.69 0.00 0.00 0.00 174.94 174.60 3ag6 s VAL 91 N -1.08 2.34 -0.37 2.92 1.01 -0.04 -0.72 120.40 124.46 3ag6 s VAL 91 Ca -0.12 -1.01 -0.18 0.00 0.00 0.00 0.00 61.98 60.67 3ag6 s VAL 91 Cb -0.07 -2.08 0.00 0.00 0.00 0.00 0.00 36.38 34.23 3ag6 s VAL 91 CO 0.01 0.39 0.51 0.12 0.00 0.00 0.00 175.10 176.13 3ag6 s PHE 92 N 1.29 3.16 -0.59 5.22 5.36 0.12 -1.27 117.98 131.27 3ag6 s PHE 92 Ca 0.02 0.07 0.05 0.00 -0.96 0.00 0.00 56.93 56.11 3ag6 s PHE 92 Cb -0.15 -2.97 0.19 0.00 -0.34 0.00 0.00 43.02 39.75 3ag6 s PHE 92 CO -0.10 -0.60 0.49 1.58 -1.46 0.00 0.00 175.22 175.14 3ag6 n HIS 93 N 5.78 1.85 -1.92 10.12 -0.00 -0.43 -0.82 115.22 129.80 3ag6 n HIS 93 Ca -0.05 -3.95 -0.31 0.00 -0.00 0.00 0.00 57.72 53.42 3ag6 n HIS 93 Cb 0.49 -0.34 0.02 0.00 -0.00 0.00 0.00 29.99 30.15 3ag6 n HIS 93 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 3ag6 s PRO 94 N -1.17 3.48 0.49 1.57 0.04 -1.26 -4.48 135.00 133.67 3ag6 s PRO 94 Ca 0.30 0.67 -0.16 0.00 0.04 0.00 0.00 61.00 61.86 3ag6 s PRO 94 Cb 0.03 -2.09 -0.08 0.00 0.04 0.00 0.00 34.50 32.40 3ag6 s PRO 94 CO -0.15 -0.62 0.94 0.00 0.04 0.00 0.00 177.00 177.21 3ag6 s ALA 95 N -3.18 3.12 0.19 8.56 0.00 -1.26 -4.96 121.76 124.22 3ag6 s ALA 95 Ca 0.55 0.12 -0.12 0.00 0.00 0.00 0.00 51.96 52.51 3ag6 s ALA 95 Cb -0.11 -3.04 0.11 0.00 0.00 0.00 0.00 23.12 20.08 3ag6 s ALA 95 CO 0.53 -0.18 1.84 0.28 0.00 0.00 0.00 175.76 178.23 3ag6 h VAL 96 N 0.99 1.18 0.00 0.00 2.07 -1.97 -2.20 116.25 116.33 3ag6 h VAL 96 Ca -0.47 -0.39 -0.03 0.00 0.82 0.00 0.00 66.70 66.64 3ag6 h VAL 96 Cb 1.18 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 31.23 3ag6 h VAL 96 CO 0.62 0.18 -0.14 -0.08 0.02 0.00 0.00 177.57 178.18 3ag6 h GLU 97 N 0.88 0.00 -0.09 1.57 4.81 -1.94 0.11 114.58 119.92 3ag6 h GLU 97 Ca 0.23 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.29 3ag6 h GLU 97 Cb -0.05 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.34 3ag6 h GLU 97 CO -0.05 0.14 -0.61 0.22 -0.73 0.00 0.00 179.01 177.98 3ag6 h ASP 98 N 0.00 0.70 -0.18 1.04 3.58 -1.79 -0.71 116.42 119.05 3ag6 h ASP 98 Ca -0.00 -0.66 -0.19 0.00 0.42 0.00 0.00 57.03 56.59 3ag6 h ASP 98 Cb 0.40 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.24 3ag6 h ASP 98 CO 0.02 1.25 -0.61 0.24 -2.88 0.00 0.00 179.24 177.26 3ag6 h MET 99 N 0.19 0.79 -2.49 0.28 2.86 -1.05 -3.37 114.93 112.15 3ag6 h MET 99 Ca -0.05 -0.54 -0.60 0.00 -2.06 0.00 0.00 59.70 56.45 3ag6 h MET 99 Cb 1.27 0.08 -0.41 0.00 0.06 0.00 0.00 31.60 32.60 3ag6 h MET 99 CO 0.13 1.17 -0.75 0.66 1.06 0.00 0.00 176.91 179.18 3ag6 n TYR 100 N -3.97 1.98 0.00 -0.22 4.02 0.34 -4.96 117.16 114.35 3ag6 n TYR 100 Ca -0.05 -3.95 0.00 0.00 -0.01 0.00 0.00 57.90 53.89 3ag6 n TYR 100 Cb 0.66 -0.39 0.00 0.00 -0.02 0.00 0.00 39.34 39.59 3ag6 n TYR 100 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 3ag6 n PRO 101 N 1.68 0.00 -3.39 -0.72 -0.04 -0.28 -4.51 135.00 127.74 3ag6 n PRO 101 Ca 0.25 0.21 0.00 0.00 -0.04 0.00 0.00 63.50 63.92 3ag6 n PRO 101 Cb 0.42 -1.51 0.00 0.00 -0.04 0.00 0.00 33.50 32.38 3ag6 n PRO 101 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ag6 n GLY 102 N -1.20 -0.62 3.71 0.55 0.00 -1.26 -5.05 105.19 101.32 3ag6 n GLY 102 Ca 0.00 -0.82 -0.42 0.00 0.00 0.00 0.00 46.02 44.78 3ag6 n GLY 102 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ag6 s GLU 103 N -0.78 4.27 0.20 1.61 0.41 -1.26 -4.95 118.70 118.19 3ag6 s GLU 103 Ca 0.00 2.21 -0.30 0.00 -0.41 0.00 0.00 54.97 56.47 3ag6 s GLU 103 Cb 0.00 -3.25 -0.09 0.00 -1.78 0.00 0.00 34.13 29.01 3ag6 s GLU 103 CO 0.00 -0.54 1.34 -0.51 -0.49 0.00 0.00 175.26 175.06 3ag6 s LEU 104 N 1.28 4.41 0.02 1.80 1.43 -1.26 -4.89 118.68 121.46 3ag6 s LEU 104 Ca 0.67 2.44 0.23 0.00 -1.03 0.00 0.00 54.13 56.44 3ag6 s LEU 104 Cb -0.40 -3.61 0.04 0.00 0.03 0.00 0.00 46.19 42.25 3ag6 s LEU 104 CO 0.31 -0.56 1.05 0.61 0.23 0.00 0.00 176.35 177.98 3ag6 n GLY 105 N 2.42 -1.13 3.24 -3.19 0.00 -1.26 -4.86 105.19 100.41 3ag6 n GLY 105 Ca 0.07 -0.47 -0.28 0.00 0.00 0.00 0.00 46.02 45.34 3ag6 n GLY 105 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ag6 s ILE 106 N -3.09 1.73 0.02 -0.61 -1.09 -1.26 -5.14 121.20 111.76 3ag6 s ILE 106 Ca 0.06 -0.97 0.08 0.00 -2.23 0.00 0.00 60.65 57.59 3ag6 s ILE 106 Cb 0.16 -1.45 -0.02 0.00 -1.58 0.00 0.00 42.46 39.57 3ag6 s ILE 106 CO 0.81 0.46 -0.24 -1.81 -1.23 0.00 0.00 174.94 172.93 3ag6 s ASP 107 N -0.60 2.81 -0.09 3.58 1.11 -1.26 -5.13 116.67 117.09 3ag6 s ASP 107 Ca 0.08 -0.51 0.04 0.00 0.18 0.00 0.00 52.55 52.34 3ag6 s ASP 107 Cb -0.08 -0.27 -0.00 0.00 1.07 0.00 0.00 42.92 43.63 3ag6 s ASP 107 CO -0.01 0.24 -0.24 -0.69 1.18 0.00 0.00 175.17 175.65 3ag6 s VAL 108 N -0.72 2.09 0.02 -1.27 1.01 -1.26 -5.13 120.40 115.14 3ag6 s VAL 108 Ca 0.10 -1.02 0.02 0.00 0.00 0.00 0.00 61.98 61.08 3ag6 s VAL 108 Cb -0.09 -1.79 -0.01 0.00 0.00 0.00 0.00 36.38 34.49 3ag6 s VAL 108 CO 0.01 0.56 -0.07 -0.54 0.00 0.00 0.00 175.10 175.06 3ag6 s LYS 109 N 0.23 0.53 0.16 2.72 1.02 -1.26 -4.79 119.74 118.36 3ag6 s LYS 109 Ca -0.15 -0.49 -0.22 0.00 0.02 0.00 0.00 55.97 55.12 3ag6 s LYS 109 Cb -0.17 -0.43 -0.08 0.00 -0.52 0.00 0.00 37.83 36.64 3ag6 s LYS 109 CO 0.08 0.10 0.72 0.08 -0.92 0.00 0.00 175.35 175.41 3ag6 s VAL 110 N -0.72 4.50 0.00 3.17 1.01 -1.26 -5.04 120.40 122.05 3ag6 s VAL 110 Ca -0.03 1.49 0.00 0.00 0.00 0.00 0.00 61.98 63.44 3ag6 s VAL 110 Cb -0.06 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 32.31 3ag6 s VAL 110 CO 0.00 0.44 0.00 0.61 0.00 0.00 0.00 175.10 176.15 3ag6 n GLY 111 N 1.37 0.95 0.42 4.51 0.00 -1.26 -4.71 105.19 106.47 3ag6 n GLY 111 Ca -0.06 -0.91 0.26 0.00 0.00 0.00 0.00 46.02 45.32 3ag6 n GLY 111 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3ag6 h PRO 112 N 0.00 0.30 0.00 1.61 0.11 -2.01 -1.75 132.00 130.26 3ag6 h PRO 112 Ca 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 3ag6 h PRO 112 Cb 0.00 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.04 3ag6 h PRO 112 CO 0.00 0.20 0.00 -0.07 -0.21 0.00 0.00 178.00 177.92 3ag6 h LEU 113 N 0.31 0.00 -2.48 2.35 3.38 -1.92 -1.45 115.31 115.49 3ag6 h LEU 113 Ca 0.64 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.61 3ag6 h LEU 113 Cb 1.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.52 3ag6 h LEU 113 CO -0.32 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.21 3ag6 n ALA 114 N -2.01 2.36 1.36 1.53 0.00 -0.66 -4.37 120.51 118.73 3ag6 n ALA 114 Ca -0.02 -1.07 0.14 0.00 0.00 0.00 0.00 53.44 52.49 3ag6 n ALA 114 Cb 0.09 -0.73 0.49 0.00 0.00 0.00 0.00 19.45 19.30 3ag6 n ALA 114 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3ag6 n ASP 115 N 1.22 0.95 -4.42 0.00 8.00 -0.55 -3.42 116.55 118.33 3ag6 n ASP 115 Ca 0.17 -0.94 -0.20 0.00 0.71 0.00 0.00 54.79 54.53 3ag6 n ASP 115 Cb 0.54 0.05 -0.11 0.00 -0.02 0.00 0.00 41.12 41.58 3ag6 n ASP 115 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3ag6 s VAL 116 N -2.37 1.05 0.00 2.53 -7.23 -1.26 -4.42 120.40 108.70 3ag6 s VAL 116 Ca 0.29 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.46 3ag6 s VAL 116 Cb 0.20 -2.76 0.00 0.00 0.56 0.00 0.00 36.38 34.38 3ag6 s VAL 116 CO 0.46 -0.00 0.00 0.18 -0.31 0.00 0.00 175.10 175.43 3ag6 n LEU 117 N -0.63 0.00 0.19 1.32 4.77 -1.26 -1.20 117.00 120.18 3ag6 n LEU 117 Ca -0.02 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.07 3ag6 n LEU 117 Cb 0.66 0.00 0.65 0.00 -2.33 0.00 0.00 43.42 42.40 3ag6 n LEU 117 CO 0.41 0.00 1.10 -0.33 -1.33 0.00 0.00 177.39 177.24 3ag6 h GLU 118 N 0.00 0.02 -0.05 3.23 4.39 -1.95 -0.66 114.58 119.56 3ag6 h GLU 118 Ca 0.00 -0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.58 3ag6 h GLU 118 Cb 0.00 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 3ag6 h GLU 118 CO 0.00 0.01 -0.49 0.78 -1.16 0.00 0.00 179.01 178.15 3ag6 h GLY 119 N 0.02 0.15 1.59 -3.84 0.00 -1.32 0.22 103.07 99.88 3ag6 h GLY 119 Ca 0.06 -0.15 -0.25 0.00 0.00 0.00 0.00 47.33 46.99 3ag6 h GLY 119 CO -0.00 0.14 -1.28 0.00 0.00 0.00 0.00 176.54 175.39 3ag6 h ALA 120 N 1.39 0.42 0.00 3.60 0.00 -1.18 -3.22 119.26 120.27 3ag6 h ALA 120 Ca 0.00 -1.08 -0.11 0.00 0.00 0.00 0.00 54.91 53.73 3ag6 h ALA 120 Cb 0.91 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 3ag6 h ALA 120 CO 0.07 1.29 -0.74 0.87 0.00 0.00 0.00 179.25 180.74 3ag6 h LYS 121 N 0.02 0.00 -2.39 0.00 1.57 -1.00 -3.38 116.57 111.39 3ag6 h LYS 121 Ca -0.13 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.06 3ag6 h LYS 121 Cb 1.89 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 33.79 3ag6 h LYS 121 CO 0.13 0.38 -0.79 0.54 -0.57 0.00 0.00 179.45 179.15 3ag6 n ARG 122 N -3.09 1.48 -1.64 3.15 1.74 0.75 -5.07 116.66 113.97 3ag6 n ARG 122 Ca -0.01 -3.99 -0.53 0.00 -0.77 0.00 0.00 57.85 52.55 3ag6 n ARG 122 Cb 0.74 -1.90 -0.06 0.00 -1.02 0.00 0.00 32.46 30.22 3ag6 n ARG 122 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 3ag6 n PRO 123 N 1.62 1.36 0.00 5.56 -0.02 -1.22 -1.12 135.00 141.18 3ag6 n PRO 123 Ca 0.25 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 3ag6 n PRO 123 Cb 0.44 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 3ag6 n PRO 123 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ag6 n GLY 124 N 3.31 2.90 0.18 -1.23 0.00 -1.26 -4.91 105.19 104.17 3ag6 n GLY 124 Ca 0.21 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.17 3ag6 n GLY 124 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3ag6 h HIS 125 N 0.00 -0.27 0.00 1.61 6.17 -1.44 -1.61 115.15 119.61 3ag6 h HIS 125 Ca 0.00 0.03 -0.02 0.00 0.71 0.00 0.00 60.37 61.10 3ag6 h HIS 125 Cb 0.00 0.17 -0.00 0.00 2.52 0.00 0.00 27.41 30.10 3ag6 h HIS 125 CO 0.00 -0.19 -0.09 0.74 0.71 0.00 0.00 177.93 179.11 3ag6 h PHE 126 N -0.05 0.00 -0.31 5.26 -1.00 -1.91 -1.86 116.94 117.07 3ag6 h PHE 126 Ca 0.17 0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.84 3ag6 h PHE 126 Cb 0.30 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.85 3ag6 h PHE 126 CO -0.34 0.09 -0.24 -0.44 -1.61 0.00 0.00 178.31 175.77 3ag6 h ASP 127 N 0.00 0.62 0.24 2.17 3.32 -1.61 -0.37 116.42 120.79 3ag6 h ASP 127 Ca -0.00 -0.22 -0.16 0.00 0.02 0.00 0.00 57.03 56.67 3ag6 h ASP 127 Cb 0.54 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 3ag6 h ASP 127 CO 0.01 0.85 -0.63 1.23 -1.72 0.00 0.00 179.24 178.98 3ag6 h GLY 128 N 1.00 0.42 0.69 2.75 0.00 -0.97 -1.96 103.07 104.99 3ag6 h GLY 128 Ca 0.08 -0.53 -0.02 0.00 0.00 0.00 0.00 47.33 46.86 3ag6 h GLY 128 CO 0.05 0.47 -0.15 -2.08 0.00 0.00 0.00 176.54 174.83 3ag6 h VAL 129 N 0.28 0.69 -0.03 4.60 2.07 -0.95 -2.71 116.25 120.20 3ag6 h VAL 129 Ca -0.01 -0.55 -0.04 0.00 0.82 0.00 0.00 66.70 66.91 3ag6 h VAL 129 Cb 1.16 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.90 3ag6 h VAL 129 CO 0.11 0.11 -0.19 -0.37 0.02 0.00 0.00 177.57 177.24 3ag6 h VAL 130 N -0.74 1.16 0.04 2.57 -1.51 -1.12 -0.52 116.25 116.13 3ag6 h VAL 130 Ca -0.04 -0.73 -0.00 0.00 -1.23 0.00 0.00 66.70 64.70 3ag6 h VAL 130 Cb 0.50 1.35 0.00 0.00 -2.13 0.00 0.00 31.29 31.01 3ag6 h VAL 130 CO 0.07 0.21 -0.02 0.74 -1.23 0.00 0.00 177.57 177.34 3ag6 h THR 131 N 0.04 1.06 -0.02 7.19 2.02 -1.32 -0.92 112.91 120.96 3ag6 h THR 131 Ca 0.01 -0.30 -0.18 0.00 0.77 0.00 0.00 66.41 66.70 3ag6 h THR 131 Cb 0.37 1.26 -0.01 0.00 -1.74 0.00 0.00 68.15 68.03 3ag6 h THR 131 CO 0.03 0.08 -0.80 1.62 0.37 0.00 0.00 175.52 176.82 3ag6 h VAL 132 N -0.19 1.45 -0.39 3.16 3.04 -1.21 -2.72 116.25 119.39 3ag6 h VAL 132 Ca -0.01 -2.41 -0.13 0.00 -1.01 0.00 0.00 66.70 63.15 3ag6 h VAL 132 Cb 0.17 2.32 -0.01 0.00 -2.01 0.00 0.00 31.29 31.75 3ag6 h VAL 132 CO 0.01 0.71 -0.27 0.58 -1.01 0.00 0.00 177.57 177.58 3ag6 h VAL 133 N 0.14 1.27 -0.23 1.51 2.07 -1.07 -0.01 116.25 119.94 3ag6 h VAL 133 Ca -0.03 -1.42 -0.00 0.00 0.82 0.00 0.00 66.70 66.07 3ag6 h VAL 133 Cb 1.39 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 32.41 3ag6 h VAL 133 CO 0.12 0.47 0.14 -1.13 0.02 0.00 0.00 177.57 177.20 3ag6 h ASN 134 N 0.71 0.28 -0.31 0.57 -1.24 -1.14 -0.30 115.58 114.15 3ag6 h ASN 134 Ca 0.09 -0.05 -0.00 0.00 0.71 0.00 0.00 56.30 57.04 3ag6 h ASN 134 Cb 0.82 -0.07 -0.02 0.00 0.73 0.00 0.00 38.32 39.78 3ag6 h ASN 134 CO 0.07 0.25 0.19 0.11 -1.29 0.00 0.00 177.43 176.77 3ag6 h LYS 135 N 0.29 0.42 -0.46 6.67 1.57 -1.26 -2.44 116.57 121.36 3ag6 h LYS 135 Ca 0.08 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 3ag6 h LYS 135 Cb 0.03 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 3ag6 h LYS 135 CO -0.02 0.32 0.25 -0.07 -0.57 0.00 0.00 179.45 179.36 3ag6 h LEU 136 N 0.41 0.56 -0.83 2.94 3.38 -0.73 0.02 115.31 121.06 3ag6 h LEU 136 Ca 0.11 -0.04 -0.11 0.00 0.09 0.00 0.00 57.88 57.94 3ag6 h LEU 136 Cb -0.00 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3ag6 h LEU 136 CO -0.02 0.46 -0.25 -0.26 0.09 0.00 0.00 178.44 178.45 3ag6 h PHE 137 N 0.64 0.67 0.00 1.13 0.05 -0.74 0.26 116.94 118.95 3ag6 h PHE 137 Ca 0.16 -0.15 -0.06 0.00 3.82 0.00 0.00 57.97 61.74 3ag6 h PHE 137 Cb 0.03 -0.16 -0.01 0.00 2.00 0.00 0.00 35.95 37.81 3ag6 h PHE 137 CO 0.00 0.79 -0.30 -0.91 -0.18 0.00 0.00 178.31 177.72 3ag6 h ASN 138 N 0.52 0.00 0.12 2.17 2.35 -0.84 0.16 115.58 120.05 3ag6 h ASN 138 Ca 0.07 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.61 3ag6 h ASN 138 Cb 0.71 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.09 3ag6 h ASN 138 CO 0.05 0.30 -1.02 0.40 -1.65 0.00 0.00 177.43 175.51 3ag6 h ILE 139 N 0.00 1.31 0.00 2.81 2.04 -0.74 -3.37 117.51 119.56 3ag6 h ILE 139 Ca -0.00 -2.46 -0.01 0.00 1.00 0.00 0.00 64.86 63.38 3ag6 h ILE 139 Cb 1.12 2.98 -0.00 0.00 -0.74 0.00 0.00 36.82 40.18 3ag6 h ILE 139 CO 0.04 0.69 -1.13 0.52 0.00 0.00 0.00 178.15 178.27 3ag6 n VAL 140 N -4.09 0.61 -4.07 1.67 0.31 0.06 -4.05 118.33 108.77 3ag6 n VAL 140 Ca -0.19 -0.56 -0.32 0.00 -0.01 0.00 0.00 64.34 63.26 3ag6 n VAL 140 Cb 0.83 -0.34 -0.03 0.00 -0.91 0.00 0.00 33.84 33.39 3ag6 n VAL 140 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 3ag6 n MET 141 N -2.66 -1.61 -1.63 5.55 2.81 0.54 -4.88 117.12 115.24 3ag6 n MET 141 Ca -0.01 0.23 -0.31 0.00 -1.81 0.00 0.00 57.70 55.80 3ag6 n MET 141 Cb 0.58 -3.75 0.05 0.00 -0.71 0.00 0.00 33.22 29.39 3ag6 n MET 141 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 3ag6 s PRO 142 N -6.95 2.94 -0.13 0.03 0.04 -1.26 -4.86 135.00 124.80 3ag6 s PRO 142 Ca 0.16 0.86 0.09 0.00 0.04 0.00 0.00 61.00 62.15 3ag6 s PRO 142 Cb -0.07 -2.00 -0.23 0.00 0.04 0.00 0.00 34.50 32.23 3ag6 s PRO 142 CO 0.94 -1.08 0.33 -0.25 0.04 0.00 0.00 177.00 176.99 3ag6 n ASP 143 N -3.10 0.98 -3.96 6.66 9.92 -0.01 -4.55 116.55 122.49 3ag6 n ASP 143 Ca 0.07 0.19 -0.20 0.00 -0.53 0.00 0.00 54.79 54.32 3ag6 n ASP 143 Cb 0.54 0.05 -0.16 0.00 -0.64 0.00 0.00 41.12 40.92 3ag6 n ASP 143 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 3ag6 s TYR 144 N -2.55 0.90 -0.08 1.24 1.51 -0.94 -1.03 117.35 116.40 3ag6 s TYR 144 Ca -0.13 -0.25 0.04 0.00 -1.01 0.00 0.00 57.07 55.72 3ag6 s TYR 144 Cb 0.07 -0.70 -0.00 0.00 -0.11 0.00 0.00 41.96 41.23 3ag6 s TYR 144 CO 0.79 -0.15 -0.22 0.00 -1.11 0.00 0.00 175.55 174.86 3ag6 s ALA 145 N 0.50 1.94 -0.14 3.71 0.00 -0.61 -0.42 121.76 126.75 3ag6 s ALA 145 Ca -0.08 -0.87 -0.05 0.00 0.00 0.00 0.00 51.96 50.96 3ag6 s ALA 145 Cb -0.11 -0.70 -0.04 0.00 0.00 0.00 0.00 23.12 22.27 3ag6 s ALA 145 CO 0.01 0.29 0.05 0.71 0.00 0.00 0.00 175.76 176.82 3ag6 s TYR 146 N 0.22 3.27 0.06 0.00 2.02 -0.04 -0.95 117.35 121.93 3ag6 s TYR 146 Ca -0.13 0.18 0.01 0.00 -0.37 0.00 0.00 57.07 56.76 3ag6 s TYR 146 Cb -0.16 -1.94 -0.03 0.00 -0.40 0.00 0.00 41.96 39.43 3ag6 s TYR 146 CO 0.06 0.36 -0.06 -0.06 -1.57 0.00 0.00 175.55 174.28 3ag6 s PHE 147 N -0.33 0.66 -0.06 2.71 0.40 -0.58 -4.34 117.98 116.44 3ag6 s PHE 147 Ca 0.08 -0.74 -0.08 0.00 -0.60 0.00 0.00 56.93 55.59 3ag6 s PHE 147 Cb -0.12 -0.41 -0.04 0.00 0.51 0.00 0.00 43.02 42.96 3ag6 s PHE 147 CO 0.02 -0.17 0.22 0.20 0.70 0.00 0.00 175.22 176.19 3ag6 s GLY 148 N -2.28 2.24 0.00 4.36 0.00 -1.26 -0.87 107.32 109.51 3ag6 s GLY 148 Ca -0.01 -0.56 0.08 0.00 0.00 0.00 0.00 44.72 44.24 3ag6 s GLY 148 CO -0.03 -0.31 1.20 0.28 0.00 0.00 0.00 173.10 174.24 3ag6 n LYS 149 N 1.67 0.07 -0.27 2.90 5.02 0.91 -2.03 118.16 126.43 3ag6 n LYS 149 Ca -0.16 0.28 0.08 0.00 -2.02 0.00 0.00 58.31 56.49 3ag6 n LYS 149 Cb 0.54 -1.50 0.32 0.00 -0.02 0.00 0.00 35.03 34.37 3ag6 n LYS 149 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 3ag6 h LYS 150 N 0.00 0.81 -2.65 1.97 1.63 -1.90 -2.24 116.57 114.19 3ag6 h LYS 150 Ca 0.00 -0.05 -0.70 0.00 -0.85 0.00 0.00 60.65 59.05 3ag6 h LYS 150 Cb 0.11 -0.18 -0.35 0.00 -0.60 0.00 0.00 32.23 31.21 3ag6 h LYS 150 CO 0.00 0.53 0.07 -0.25 -3.45 0.00 0.00 179.45 176.35 3ag6 n ASP 151 N -4.54 4.98 -0.10 4.20 8.00 -0.86 -4.73 116.55 123.50 3ag6 n ASP 151 Ca 0.15 -3.39 -0.06 0.00 0.71 0.00 0.00 54.79 52.20 3ag6 n ASP 151 Cb 0.34 -0.98 0.02 0.00 -0.02 0.00 0.00 41.12 40.48 3ag6 n ASP 151 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ag6 h ALA 152 N 4.95 0.36 -0.55 2.24 0.00 -1.60 -0.13 119.26 124.54 3ag6 h ALA 152 Ca 0.20 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 3ag6 h ALA 152 Cb 0.66 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 3ag6 h ALA 152 CO 1.06 -0.35 0.20 0.37 0.00 0.00 0.00 179.25 180.53 3ag6 h GLN 153 N 0.17 0.83 -0.31 0.00 4.15 -1.91 -1.67 115.11 116.37 3ag6 h GLN 153 Ca 0.17 -0.16 0.05 0.00 0.77 0.00 0.00 58.65 59.48 3ag6 h GLN 153 Cb 0.20 -0.13 -0.05 0.00 0.21 0.00 0.00 27.48 27.71 3ag6 h GLN 153 CO -0.24 0.74 0.01 0.37 -1.93 0.00 0.00 178.83 177.78 3ag6 h GLN 154 N 0.76 0.10 -0.29 1.69 4.15 -1.85 -1.07 115.11 118.59 3ag6 h GLN 154 Ca 0.18 -0.01 0.05 0.00 0.77 0.00 0.00 58.65 59.65 3ag6 h GLN 154 Cb 0.23 -0.02 -0.05 0.00 0.21 0.00 0.00 27.48 27.85 3ag6 h GLN 154 CO -0.01 0.07 -0.02 1.25 -1.93 0.00 0.00 178.83 178.19 3ag6 h LEU 155 N 0.10 -0.15 -0.93 -2.39 5.85 -0.60 0.12 115.31 117.32 3ag6 h LEU 155 Ca 0.15 0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.96 3ag6 h LEU 155 Cb 0.20 0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.31 3ag6 h LEU 155 CO -0.24 -0.04 0.61 0.00 -0.34 0.00 0.00 178.44 178.43 3ag6 h ALA 156 N 1.26 1.19 -0.39 1.25 0.00 -0.90 -1.26 119.26 120.41 3ag6 h ALA 156 Ca 0.14 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 3ag6 h ALA 156 Cb 0.20 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3ag6 h ALA 156 CO -0.25 0.54 -0.16 0.82 0.00 0.00 0.00 179.25 180.19 3ag6 h ILE 157 N 1.22 1.28 -0.77 0.00 2.04 -0.42 -1.27 117.51 119.59 3ag6 h ILE 157 Ca 0.35 -1.29 -0.05 0.00 1.00 0.00 0.00 64.86 64.88 3ag6 h ILE 157 Cb -0.09 1.29 -0.03 0.00 -0.74 0.00 0.00 36.82 37.24 3ag6 h ILE 157 CO -0.09 0.43 0.29 0.58 0.00 0.00 0.00 178.15 179.36 3ag6 h VAL 158 N 0.60 1.26 -0.87 1.67 2.07 -0.50 -0.43 116.25 120.05 3ag6 h VAL 158 Ca 0.09 -0.84 -0.02 0.00 0.82 0.00 0.00 66.70 66.75 3ag6 h VAL 158 Cb 0.71 0.35 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 3ag6 h VAL 158 CO 0.05 0.34 0.47 -0.33 0.02 0.00 0.00 177.57 178.12 3ag6 h GLU 159 N 1.13 1.22 -0.60 1.57 4.39 -1.08 0.36 114.58 121.56 3ag6 h GLU 159 Ca 0.26 -0.15 -0.07 0.00 0.34 0.00 0.00 59.36 59.74 3ag6 h GLU 159 Cb 0.24 -0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 3ag6 h GLU 159 CO -0.02 0.90 0.09 0.37 -1.16 0.00 0.00 179.01 179.19 3ag6 h GLN 160 N 1.22 1.01 -0.63 2.33 5.75 -0.59 -1.82 115.11 122.38 3ag6 h GLN 160 Ca 0.31 -0.28 -0.06 0.00 -0.15 0.00 0.00 58.65 58.47 3ag6 h GLN 160 Cb 0.03 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 28.44 3ag6 h GLN 160 CO -0.05 0.95 0.15 1.98 -2.65 0.00 0.00 178.83 179.21 3ag6 h MET 161 N 0.91 1.02 -0.86 1.69 4.05 -0.52 0.20 114.93 121.42 3ag6 h MET 161 Ca 0.18 -0.25 -0.01 0.00 -0.28 0.00 0.00 59.70 59.34 3ag6 h MET 161 Cb 0.44 -0.13 -0.04 0.00 -0.80 0.00 0.00 31.60 31.07 3ag6 h MET 161 CO 0.01 0.92 0.50 0.28 0.23 0.00 0.00 176.91 178.86 3ag6 h VAL 162 N 0.94 1.24 0.37 -5.77 2.07 -0.71 0.29 116.25 114.68 3ag6 h VAL 162 Ca 0.20 -0.56 -0.02 0.00 0.82 0.00 0.00 66.70 67.14 3ag6 h VAL 162 Cb 0.37 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.19 3ag6 h VAL 162 CO 0.00 0.26 -0.18 0.50 0.02 0.00 0.00 177.57 178.18 3ag6 h LYS 163 N 1.19 -0.48 -0.69 1.57 3.64 -0.79 -1.31 116.57 119.72 3ag6 h LYS 163 Ca 0.31 0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.78 3ag6 h LYS 163 Cb -0.02 0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 31.87 3ag6 h LYS 163 CO -0.05 -0.16 0.45 -0.44 -2.27 0.00 0.00 179.45 176.98 3ag6 h ASP 164 N -0.93 0.64 0.09 4.20 3.32 -0.49 -2.35 116.42 120.89 3ag6 h ASP 164 Ca -0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.00 3ag6 h ASP 164 Cb 0.54 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.95 3ag6 h ASP 164 CO 0.08 0.42 -0.22 0.49 -1.72 0.00 0.00 179.24 178.30 3ag6 n PHE 165 N -4.47 0.00 -3.65 4.55 0.99 0.08 -4.97 117.46 109.98 3ag6 n PHE 165 Ca 0.10 0.00 -0.25 0.00 -0.00 0.00 0.00 57.45 57.30 3ag6 n PHE 165 Cb 0.21 -0.05 0.07 0.00 -1.00 0.00 0.00 39.48 38.71 3ag6 n PHE 165 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 3ag6 n ASN 166 N -0.07 -6.01 -4.73 4.37 3.02 -0.58 -4.95 115.26 106.32 3ag6 n ASN 166 Ca 0.13 -0.59 -0.42 0.00 -0.03 0.00 0.00 54.58 53.68 3ag6 n ASN 166 Cb 0.41 -4.84 -0.03 0.00 -0.61 0.00 0.00 39.78 34.71 3ag6 n ASN 166 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 3ag6 s HIS 167 N -3.32 3.31 -1.46 3.10 3.76 -0.68 -4.89 115.29 115.11 3ag6 s HIS 167 Ca 0.59 1.18 -0.09 0.00 -0.15 0.00 0.00 55.06 56.58 3ag6 s HIS 167 Cb -0.27 -3.57 0.03 0.00 1.11 0.00 0.00 32.58 29.88 3ag6 s HIS 167 CO 0.75 -1.84 2.52 0.00 -0.85 0.00 0.00 174.74 175.32 3ag6 n ALA 168 N 3.28 6.71 -3.61 -1.40 0.00 -1.26 -4.83 120.51 119.40 3ag6 n ALA 168 Ca 0.08 -3.87 -0.20 0.00 0.00 0.00 0.00 53.44 49.45 3ag6 n ALA 168 Cb 0.44 -3.17 -0.16 0.00 0.00 0.00 0.00 19.45 16.55 3ag6 n ALA 168 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3ag6 s VAL 169 N 1.08 0.59 -0.22 0.00 1.01 -1.26 -4.67 120.40 116.93 3ag6 s VAL 169 Ca 0.57 -0.15 -0.15 0.00 0.00 0.00 0.00 61.98 62.24 3ag6 s VAL 169 Cb 0.16 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.90 3ag6 s VAL 169 CO -0.07 0.24 0.39 -0.70 0.00 0.00 0.00 175.10 174.96 3ag6 s GLU 170 N 0.91 4.13 -0.08 2.72 2.12 -0.20 -4.95 118.70 123.35 3ag6 s GLU 170 Ca -0.11 0.15 -0.23 0.00 0.36 0.00 0.00 54.97 55.14 3ag6 s GLU 170 Cb -0.14 -3.57 -0.04 0.00 0.26 0.00 0.00 34.13 30.64 3ag6 s GLU 170 CO 0.00 -0.10 0.67 0.42 -0.54 0.00 0.00 175.26 175.71 3ag6 s ILE 171 N 1.52 5.07 -0.20 -3.70 -1.09 -1.26 -1.58 121.20 119.95 3ag6 s ILE 171 Ca 0.18 1.37 -0.01 0.00 -2.23 0.00 0.00 60.65 59.95 3ag6 s ILE 171 Cb -0.15 -4.01 0.01 0.00 -1.58 0.00 0.00 42.46 36.74 3ag6 s ILE 171 CO 0.08 0.26 -0.12 -0.63 -1.23 0.00 0.00 174.94 173.30 3ag6 s ILE 172 N 0.80 2.65 -0.23 2.92 -1.09 -0.13 -4.95 121.20 121.17 3ag6 s ILE 172 Ca 0.36 -0.78 -0.10 0.00 -2.23 0.00 0.00 60.65 57.89 3ag6 s ILE 172 Cb -0.17 -2.18 -0.05 0.00 -1.58 0.00 0.00 42.46 38.47 3ag6 s ILE 172 CO 0.17 0.46 0.16 -0.83 -1.23 0.00 0.00 174.94 173.66 3ag6 s GLY 173 N 1.36 2.00 0.00 6.18 0.00 -1.26 -1.52 107.32 114.08 3ag6 s GLY 173 Ca 0.05 -0.85 -0.02 0.00 0.00 0.00 0.00 44.72 43.90 3ag6 s GLY 173 CO -0.08 0.35 0.17 -0.42 0.00 0.00 0.00 173.10 173.12 3ag6 s ILE 174 N 0.94 5.29 0.76 0.90 1.09 -0.05 -4.85 121.20 125.29 3ag6 s ILE 174 Ca 0.08 -0.25 -0.12 0.00 -1.10 0.00 0.00 60.65 59.25 3ag6 s ILE 174 Cb -0.13 -3.49 0.06 0.00 -1.06 0.00 0.00 42.46 37.84 3ag6 s ILE 174 CO 0.03 0.29 1.12 -1.81 -0.10 0.00 0.00 174.94 174.48 3ag6 s ASP 175 N -2.01 4.31 0.06 3.58 1.01 -1.26 -0.06 116.67 122.30 3ag6 s ASP 175 Ca 0.28 2.01 -0.30 0.00 0.71 0.00 0.00 52.55 55.24 3ag6 s ASP 175 Cb -0.13 -2.55 -0.08 0.00 1.01 0.00 0.00 42.92 41.17 3ag6 s ASP 175 CO 0.19 -2.17 1.73 -0.63 0.21 0.00 0.00 175.17 174.50 3ag6 s ILE 176 N -2.59 3.02 -0.01 0.77 1.01 -1.26 -4.72 121.20 117.41 3ag6 s ILE 176 Ca 0.65 0.38 -0.20 0.00 0.00 0.00 0.00 60.65 61.48 3ag6 s ILE 176 Cb -0.21 -3.24 -0.05 0.00 0.01 0.00 0.00 42.46 38.97 3ag6 s ILE 176 CO 0.51 -0.01 0.57 -0.69 0.00 0.00 0.00 174.94 175.33 3ag6 s VAL 177 N 3.09 4.93 0.14 2.92 1.01 -1.26 -5.03 120.40 126.20 3ag6 s VAL 177 Ca 0.77 1.19 0.08 0.00 0.00 0.00 0.00 61.98 64.02 3ag6 s VAL 177 Cb -0.40 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.03 3ag6 s VAL 177 CO 0.34 0.43 -0.17 -0.13 0.00 0.00 0.00 175.10 175.56 3ag6 s ARG 178 N -0.21 1.17 1.16 2.72 0.52 -1.26 -1.72 118.95 121.33 3ag6 s ARG 178 Ca 0.30 -1.32 -0.16 0.00 -0.52 0.00 0.00 55.73 54.03 3ag6 s ARG 178 Cb -0.18 -1.19 0.27 0.00 0.52 0.00 0.00 34.95 34.37 3ag6 s ARG 178 CO 0.16 0.24 1.07 -1.21 0.02 0.00 0.00 175.30 175.58 3ag6 s GLU 179 N -2.63 -0.90 0.41 3.54 0.41 0.13 -4.83 118.70 114.83 3ag6 s GLU 179 Ca 0.12 0.28 0.11 0.00 -0.41 0.00 0.00 54.97 55.07 3ag6 s GLU 179 Cb -0.06 -1.60 0.94 0.00 -1.78 0.00 0.00 34.13 31.62 3ag6 s GLU 179 CO 0.05 -3.57 1.99 0.00 -0.49 0.00 0.00 175.26 173.24 3ag6 h ALA 180 N -2.49 1.89 -0.15 5.21 0.00 -2.01 -1.53 119.26 120.17 3ag6 h ALA 180 Ca -0.51 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.38 3ag6 h ALA 180 Cb 1.32 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3ag6 h ALA 180 CO 0.44 0.01 0.00 -0.40 0.00 0.00 0.00 179.25 179.30 3ag6 n ASP 181 N -4.48 1.45 0.00 0.00 5.68 -1.26 -4.92 116.55 113.03 3ag6 n ASP 181 Ca 0.09 -1.68 0.00 0.00 -0.50 0.00 0.00 54.79 52.69 3ag6 n ASP 181 Cb 0.27 -0.10 0.00 0.00 -1.14 0.00 0.00 41.12 40.16 3ag6 n ASP 181 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ag6 n GLY 182 N 1.08 2.75 3.64 6.12 0.00 -0.58 -4.95 105.19 113.26 3ag6 n GLY 182 Ca 0.16 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.67 3ag6 n GLY 182 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3ag6 n LEU 183 N 0.00 2.38 -4.67 0.99 7.94 -1.26 -4.47 117.00 117.90 3ag6 n LEU 183 Ca 0.00 1.09 -0.42 0.00 -1.11 0.00 0.00 56.01 55.56 3ag6 n LEU 183 Cb 0.00 -1.28 -0.03 0.00 0.53 0.00 0.00 43.42 42.65 3ag6 n LEU 183 CO 0.00 -0.63 1.28 0.00 -1.11 0.00 0.00 177.39 176.93 3ag6 s ALA 184 N 1.37 3.63 0.33 1.96 0.00 -1.26 0.21 121.76 128.00 3ag6 s ALA 184 Ca 0.85 0.95 -0.29 0.00 0.00 0.00 0.00 51.96 53.47 3ag6 s ALA 184 Cb -0.86 -3.69 -0.12 0.00 0.00 0.00 0.00 23.12 18.46 3ag6 s ALA 184 CO 0.47 -1.20 1.41 1.63 0.00 0.00 0.00 175.76 178.07 3ag6 n LYS 185 N 6.33 2.38 -3.64 0.00 5.02 -0.70 -4.88 118.16 122.67 3ag6 n LYS 185 Ca 0.16 0.84 -0.07 0.00 -2.02 0.00 0.00 58.31 57.21 3ag6 n LYS 185 Cb 0.43 -2.50 -0.07 0.00 -0.02 0.00 0.00 35.03 32.86 3ag6 n LYS 185 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3ag6 s SER 186 N -0.07 -0.53 0.54 4.39 0.15 -1.26 -4.95 113.70 111.97 3ag6 s SER 186 Ca 0.57 0.95 0.22 0.00 0.70 0.00 0.00 55.95 58.40 3ag6 s SER 186 Cb -0.54 1.06 1.40 0.00 -1.71 0.00 0.00 66.02 66.24 3ag6 s SER 186 CO 0.59 -0.16 2.08 0.28 1.20 0.00 0.00 173.24 177.24 3ag6 h SER 187 N 5.06 0.00 0.42 5.45 0.02 -1.91 0.22 113.55 122.80 3ag6 h SER 187 Ca -0.28 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 3ag6 h SER 187 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 3ag6 h SER 187 CO 0.13 0.00 0.00 0.54 -1.14 0.00 0.00 176.83 176.36 3ag6 n ARG 188 N -4.34 0.24 0.26 3.45 1.74 -1.26 -2.92 116.66 113.84 3ag6 n ARG 188 Ca 0.03 0.11 0.17 0.00 -0.77 0.00 0.00 57.85 57.39 3ag6 n ARG 188 Cb 0.34 -1.50 0.74 0.00 -1.02 0.00 0.00 32.46 31.02 3ag6 n ARG 188 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 3ag6 h ASN 189 N 0.00 0.00 0.63 0.55 2.35 -1.33 -2.11 115.58 115.67 3ag6 h ASN 189 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3ag6 h ASN 189 Cb 0.21 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.58 3ag6 h ASN 189 CO 0.00 0.00 0.00 1.62 -1.65 0.00 0.00 177.43 177.40 3ag6 h VAL 190 N 0.00 0.00 0.00 2.81 3.04 -1.74 -1.36 116.25 119.00 3ag6 h VAL 190 Ca 0.00 -0.28 0.00 0.00 -1.01 0.00 0.00 66.70 65.41 3ag6 h VAL 190 Cb 0.38 1.14 0.00 0.00 -2.01 0.00 0.00 31.29 30.80 3ag6 h VAL 190 CO 0.00 0.00 0.00 -1.22 -1.01 0.00 0.00 177.57 175.34 3ag6 n TYR 191 N -2.75 0.87 -2.49 3.17 0.53 -0.79 -4.84 117.16 110.86 3ag6 n TYR 191 Ca 0.00 0.28 -0.42 0.00 -1.02 0.00 0.00 57.90 56.74 3ag6 n TYR 191 Cb 0.21 -0.96 -0.03 0.00 -1.03 0.00 0.00 39.34 37.53 3ag6 n TYR 191 CO 0.00 0.00 0.00 -0.51 -1.02 0.00 0.00 176.86 175.33 3ag6 s LEU 192 N -4.47 4.41 0.70 7.72 1.43 -0.51 -4.64 118.68 123.31 3ag6 s LEU 192 Ca 0.09 1.99 -0.11 0.00 -1.03 0.00 0.00 54.13 55.06 3ag6 s LEU 192 Cb 0.11 -3.59 0.01 0.00 0.03 0.00 0.00 46.19 42.76 3ag6 s LEU 192 CO 0.53 -0.36 1.06 0.42 0.23 0.00 0.00 176.35 178.23 3ag6 s THR 193 N 0.66 3.93 0.60 5.49 -4.23 -1.26 -4.72 115.64 116.10 3ag6 s THR 193 Ca 0.55 0.63 0.29 0.00 -1.18 0.00 0.00 61.69 61.97 3ag6 s THR 193 Cb -0.28 -3.33 0.37 0.00 1.34 0.00 0.00 72.50 70.59 3ag6 s THR 193 CO 0.31 -0.82 1.90 1.05 -0.54 0.00 0.00 174.62 176.52 3ag6 h GLU 194 N -0.76 0.00 0.00 3.99 4.11 -1.99 0.22 114.58 120.15 3ag6 h GLU 194 Ca -0.44 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 58.97 3ag6 h GLU 194 Cb 1.21 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.46 3ag6 h GLU 194 CO 0.56 0.00 -0.12 0.37 0.07 0.00 0.00 179.01 179.89 3ag6 h GLN 195 N 0.00 0.00 -0.74 1.06 4.15 -2.01 -3.33 115.11 114.24 3ag6 h GLN 195 Ca 0.18 0.00 0.07 0.00 0.77 0.00 0.00 58.65 59.67 3ag6 h GLN 195 Cb 1.08 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.73 3ag6 h GLN 195 CO -0.00 0.91 0.49 0.93 -1.93 0.00 0.00 178.83 179.23 3ag6 h GLU 196 N -1.00 0.74 -0.65 1.69 5.08 -1.59 -0.12 114.58 118.73 3ag6 h GLU 196 Ca -0.03 -0.04 0.13 0.00 -1.00 0.00 0.00 59.36 58.42 3ag6 h GLU 196 Cb 0.94 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.99 3ag6 h GLU 196 CO -0.02 0.49 0.44 -0.09 -1.00 0.00 0.00 179.01 178.83 3ag6 h ARG 197 N 0.76 0.30 0.07 2.33 9.65 -1.12 0.43 114.38 126.81 3ag6 h ARG 197 Ca 0.32 -0.02 -0.10 0.00 -1.10 0.00 0.00 59.98 59.08 3ag6 h ARG 197 Cb 0.29 -0.07 0.01 0.00 -1.39 0.00 0.00 29.97 28.81 3ag6 h ARG 197 CO -0.11 0.20 -0.46 1.96 2.80 0.00 0.00 179.97 184.37 3ag6 h GLN 198 N 0.31 0.18 -0.75 0.20 1.08 -1.14 -3.32 115.11 111.67 3ag6 h GLN 198 Ca 0.31 -0.29 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 3ag6 h GLN 198 Cb 0.78 0.11 -0.04 0.00 -0.05 0.00 0.00 27.48 28.28 3ag6 h GLN 198 CO -0.08 1.13 0.48 0.93 -0.95 0.00 0.00 178.83 180.34 3ag6 h GLU 199 N -0.62 1.00 -0.11 1.46 5.08 -0.83 -2.56 114.58 118.01 3ag6 h GLU 199 Ca -0.08 -0.07 0.03 0.00 -1.00 0.00 0.00 59.36 58.24 3ag6 h GLU 199 Cb 1.35 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 30.37 3ag6 h GLU 199 CO 0.09 0.68 0.21 0.00 -1.00 0.00 0.00 179.01 178.99 3ag6 h ALA 200 N 1.26 1.53 0.00 3.43 0.00 -0.28 -1.32 119.26 123.88 3ag6 h ALA 200 Ca 0.27 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 3ag6 h ALA 200 Cb -0.09 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3ag6 h ALA 200 CO -0.06 -0.27 -0.02 0.28 0.00 0.00 0.00 179.25 179.19 3ag6 h VAL 201 N 0.00 0.07 0.00 0.00 2.07 -1.55 -2.73 116.25 114.12 3ag6 h VAL 201 Ca 0.05 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.28 3ag6 h VAL 201 Cb 0.47 1.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 3ag6 h VAL 201 CO -0.00 0.02 0.00 1.41 0.02 0.00 0.00 177.57 179.02 3ag6 n HIS 202 N -3.16 0.08 0.06 1.57 -0.00 -0.50 -2.67 115.22 110.61 3ag6 n HIS 202 Ca -0.01 0.03 -0.13 0.00 -0.00 0.00 0.00 57.72 57.61 3ag6 n HIS 202 Cb 0.20 -0.55 -0.09 0.00 -0.00 0.00 0.00 29.99 29.55 3ag6 n HIS 202 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.34 176.27 3ag6 h LEU 203 N 0.00 -0.14 -0.93 2.41 4.07 -1.70 -0.32 115.31 118.71 3ag6 h LEU 203 Ca 0.00 -0.26 -0.04 0.00 0.08 0.00 0.00 57.88 57.66 3ag6 h LEU 203 Cb 0.35 0.03 -0.03 0.00 1.08 0.00 0.00 40.66 42.10 3ag6 h LEU 203 CO 0.00 0.19 0.27 0.77 -1.08 0.00 0.00 178.44 178.59 3ag6 h SER 204 N -0.48 0.96 -0.39 -0.43 4.64 -1.74 -1.94 113.55 114.18 3ag6 h SER 204 Ca -0.02 -0.15 -0.00 0.00 -0.47 0.00 0.00 61.79 61.15 3ag6 h SER 204 Cb 0.39 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.21 3ag6 h SER 204 CO 0.03 0.87 0.23 0.11 -0.87 0.00 0.00 176.83 177.19 3ag6 h LYS 205 N 1.02 0.53 -0.10 4.77 1.79 -1.41 -0.74 116.57 122.43 3ag6 h LYS 205 Ca 0.24 -0.05 -0.03 0.00 -2.18 0.00 0.00 60.65 58.63 3ag6 h LYS 205 Cb 0.21 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 30.75 3ag6 h LYS 205 CO -0.02 0.41 -0.06 0.66 -1.08 0.00 0.00 179.45 179.37 3ag6 h SER 206 N 0.50 0.13 0.43 0.86 4.64 -0.64 -0.92 113.55 118.55 3ag6 h SER 206 Ca 0.14 -0.02 -0.19 0.00 -0.47 0.00 0.00 61.79 61.26 3ag6 h SER 206 Cb 0.02 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.07 3ag6 h SER 206 CO -0.02 0.22 -0.79 -0.07 -0.87 0.00 0.00 176.83 175.29 3ag6 h LEU 207 N 0.14 0.34 -0.91 5.97 4.07 -0.72 -0.14 115.31 124.06 3ag6 h LEU 207 Ca 0.03 -0.25 -0.08 0.00 0.08 0.00 0.00 57.88 57.67 3ag6 h LEU 207 Cb 0.20 -0.10 -0.02 0.00 1.08 0.00 0.00 40.66 41.82 3ag6 h LEU 207 CO 0.01 1.00 -0.03 -0.07 -1.08 0.00 0.00 178.44 178.27 3ag6 h LEU 208 N 0.17 0.74 0.08 1.67 3.38 -0.16 0.95 115.31 122.15 3ag6 h LEU 208 Ca -0.04 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.74 3ag6 h LEU 208 Cb 1.38 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.94 3ag6 h LEU 208 CO 0.13 0.83 -0.04 0.25 0.09 0.00 0.00 178.44 179.69 3ag6 h LEU 209 N 0.71 -0.09 -0.69 1.67 5.85 -0.93 -1.22 115.31 120.61 3ag6 h LEU 209 Ca 0.14 -0.22 0.07 0.00 0.84 0.00 0.00 57.88 58.71 3ag6 h LEU 209 Cb 0.48 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.47 3ag6 h LEU 209 CO 0.02 0.16 0.37 0.00 -0.34 0.00 0.00 178.44 178.66 3ag6 h ALA 210 N 0.54 0.94 -0.63 1.25 0.00 -0.73 -1.23 119.26 119.41 3ag6 h ALA 210 Ca -0.01 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3ag6 h ALA 210 Cb 0.30 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3ag6 h ALA 210 CO 0.02 0.02 0.35 0.37 0.00 0.00 0.00 179.25 180.01 3ag6 h GLN 211 N 0.66 0.88 -0.58 0.00 4.15 -0.67 -1.38 115.11 118.17 3ag6 h GLN 211 Ca 0.32 -0.10 -0.05 0.00 0.77 0.00 0.00 58.65 59.59 3ag6 h GLN 211 Cb 0.26 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.75 3ag6 h GLN 211 CO -0.22 0.66 0.17 0.00 -1.93 0.00 0.00 178.83 177.52 3ag6 h ALA 212 N 1.17 0.76 -0.58 3.38 0.00 -0.43 0.27 119.26 123.83 3ag6 h ALA 212 Ca 0.22 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3ag6 h ALA 212 Cb 0.04 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3ag6 h ALA 212 CO -0.04 0.43 0.29 -0.07 0.00 0.00 0.00 179.25 179.86 3ag6 h LEU 213 N 0.81 0.75 -0.23 0.00 3.38 -1.03 -0.77 115.31 118.23 3ag6 h LEU 213 Ca 0.19 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 3ag6 h LEU 213 Cb 0.30 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3ag6 h LEU 213 CO -0.00 0.66 0.04 0.22 0.09 0.00 0.00 178.44 179.45 3ag6 h TYR 214 N 0.79 0.40 -0.84 1.13 3.20 -0.97 -1.34 116.97 119.34 3ag6 h TYR 214 Ca 0.20 -0.05 0.12 0.00 3.14 0.00 0.00 58.73 62.14 3ag6 h TYR 214 Cb 0.10 -0.11 -0.08 0.00 1.54 0.00 0.00 36.73 38.17 3ag6 h TYR 214 CO -0.00 0.50 0.46 0.37 -1.64 0.00 0.00 178.16 177.85 3ag6 h GLN 215 N 0.19 0.70 0.00 1.82 5.75 -0.13 0.75 115.11 124.19 3ag6 h GLN 215 Ca 0.07 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.53 3ag6 h GLN 215 Cb 0.31 -0.16 0.00 0.00 1.07 0.00 0.00 27.48 28.70 3ag6 h GLN 215 CO 0.00 0.46 0.00 -0.25 -2.65 0.00 0.00 178.83 176.40 3ag6 n ASP 216 N -4.80 0.33 0.00 -0.69 8.00 -0.32 -4.87 116.55 114.19 3ag6 n ASP 216 Ca 0.15 0.57 0.00 0.00 0.71 0.00 0.00 54.79 56.23 3ag6 n ASP 216 Cb 0.36 -0.64 0.00 0.00 -0.02 0.00 0.00 41.12 40.81 3ag6 n ASP 216 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ag6 n GLY 217 N 0.24 0.98 3.72 0.44 0.00 0.26 -5.10 105.19 105.73 3ag6 n GLY 217 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 3ag6 n GLY 217 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ag6 s GLU 218 N 0.00 4.30 0.00 1.61 2.56 -0.53 -4.89 118.70 121.75 3ag6 s GLU 218 Ca 0.00 2.17 0.00 0.00 0.00 0.00 0.00 54.97 57.14 3ag6 s GLU 218 Cb 0.00 -3.20 0.00 0.00 2.00 0.00 0.00 34.13 32.93 3ag6 s GLU 218 CO 0.00 -0.45 0.40 0.54 -0.56 0.00 0.00 175.26 175.19 3ag6 n ARG 219 N 3.50 0.10 -3.05 4.30 5.12 -1.26 -4.40 116.66 120.96 3ag6 n ARG 219 Ca 0.10 -0.47 -0.43 0.00 -1.93 0.00 0.00 57.85 55.13 3ag6 n ARG 219 Cb 0.41 -0.74 -0.06 0.00 -1.16 0.00 0.00 32.46 30.90 3ag6 n ARG 219 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 3ag6 s GLN 220 N -0.15 3.34 0.25 5.56 -1.52 -1.26 0.04 119.66 125.92 3ag6 s GLN 220 Ca 0.00 -0.25 -0.06 0.00 -1.95 0.00 0.00 55.36 53.10 3ag6 s GLN 220 Cb 0.00 -3.94 0.46 0.00 -0.22 0.00 0.00 33.01 29.32 3ag6 s GLN 220 CO 0.00 -1.04 1.64 0.77 -0.25 0.00 0.00 175.29 176.41 3ag6 h SER 221 N 8.89 -0.29 -0.62 5.90 0.02 -1.51 -0.89 113.55 125.06 3ag6 h SER 221 Ca -0.25 0.19 0.07 0.00 -0.84 0.00 0.00 61.79 60.96 3ag6 h SER 221 Cb 1.09 0.33 -0.04 0.00 0.14 0.00 0.00 62.40 63.92 3ag6 h SER 221 CO 0.92 -0.17 0.41 0.50 -1.14 0.00 0.00 176.83 177.35 3ag6 h LYS 222 N 0.12 0.56 -0.31 3.45 3.64 -1.90 0.84 116.57 122.97 3ag6 h LYS 222 Ca 0.43 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.70 3ag6 h LYS 222 Cb 0.76 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.45 3ag6 h LYS 222 CO -0.65 0.37 -0.11 0.28 -2.27 0.00 0.00 179.45 177.07 3ag6 h VAL 223 N 0.58 1.29 -0.20 2.00 2.07 -1.55 -1.30 116.25 119.14 3ag6 h VAL 223 Ca 0.27 -1.18 -0.06 0.00 0.82 0.00 0.00 66.70 66.55 3ag6 h VAL 223 Cb 0.32 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 3ag6 h VAL 223 CO -0.08 0.38 -0.09 0.40 0.02 0.00 0.00 177.57 178.20 3ag6 h ILE 224 N 0.38 1.30 -0.52 4.57 2.04 -1.23 -2.42 117.51 121.63 3ag6 h ILE 224 Ca 0.07 -1.14 0.03 0.00 1.00 0.00 0.00 64.86 64.83 3ag6 h ILE 224 Cb 0.62 1.63 -0.04 0.00 -0.74 0.00 0.00 36.82 38.29 3ag6 h ILE 224 CO 0.04 0.35 0.29 0.40 0.00 0.00 0.00 178.15 179.23 3ag6 h ILE 225 N 0.12 1.02 -0.51 -0.67 2.04 -0.85 -0.69 117.51 117.96 3ag6 h ILE 225 Ca 0.05 -0.20 -0.04 0.00 1.00 0.00 0.00 64.86 65.67 3ag6 h ILE 225 Cb 0.57 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 3ag6 h ILE 225 CO 0.03 0.11 0.16 0.44 0.00 0.00 0.00 178.15 178.88 3ag6 h ASP 226 N 0.58 0.75 -0.34 1.72 3.32 -1.21 0.26 116.42 121.50 3ag6 h ASP 226 Ca 0.22 -0.21 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 3ag6 h ASP 226 Cb 0.07 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 3ag6 h ASP 226 CO -0.12 0.76 0.13 0.03 -1.72 0.00 0.00 179.24 178.31 3ag6 h ARG 227 N 0.70 0.51 -0.38 3.56 2.47 -1.15 0.50 114.38 120.59 3ag6 h ARG 227 Ca 0.17 -0.10 -0.03 0.00 -1.26 0.00 0.00 59.98 58.76 3ag6 h ARG 227 Cb 0.27 -0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 28.50 3ag6 h ARG 227 CO -0.01 0.52 0.12 0.28 0.56 0.00 0.00 179.97 181.45 3ag6 h VAL 228 N 0.40 1.21 -0.13 2.04 2.07 -1.01 -1.43 116.25 119.39 3ag6 h VAL 228 Ca 0.11 -0.69 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 3ag6 h VAL 228 Cb 0.21 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 3ag6 h VAL 228 CO -0.01 0.24 0.05 0.74 0.02 0.00 0.00 177.57 178.62 3ag6 h THR 229 N 0.47 1.16 -0.88 2.57 2.02 -0.85 -1.44 112.91 115.96 3ag6 h THR 229 Ca 0.12 -0.47 0.04 0.00 0.77 0.00 0.00 66.41 66.88 3ag6 h THR 229 Cb 0.25 1.22 -0.06 0.00 -1.74 0.00 0.00 68.15 67.83 3ag6 h THR 229 CO -0.00 0.14 0.56 -0.08 0.37 0.00 0.00 175.52 176.51 3ag6 h GLU 230 N 0.05 1.03 0.51 6.66 4.81 -0.82 -0.75 114.58 126.08 3ag6 h GLU 230 Ca 0.04 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 3ag6 h GLU 230 Cb 0.18 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.33 3ag6 h GLU 230 CO -0.00 0.68 -0.24 -0.92 -0.73 0.00 0.00 179.01 177.80 3ag6 h TYR 231 N 1.06 -0.63 -0.21 0.92 5.03 -1.06 -2.97 116.97 119.11 3ag6 h TYR 231 Ca 0.36 -0.01 0.06 0.00 2.58 0.00 0.00 58.73 61.71 3ag6 h TYR 231 Cb 0.07 0.21 -0.07 0.00 1.55 0.00 0.00 36.73 38.49 3ag6 h TYR 231 CO -0.02 -0.33 -0.26 -0.07 -1.32 0.00 0.00 178.16 176.17 3ag6 h LEU 232 N -0.86 -0.81 -1.92 2.82 3.38 -1.05 -1.26 115.31 115.60 3ag6 h LEU 232 Ca -0.07 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3ag6 h LEU 232 Cb 0.59 0.37 0.00 0.00 0.09 0.00 0.00 40.66 41.72 3ag6 h LEU 232 CO 0.11 -0.30 0.25 -0.33 0.09 0.00 0.00 178.44 178.27 3ag6 h GLU 233 N -0.28 0.00 -0.33 1.13 5.08 -1.15 0.12 114.58 119.14 3ag6 h GLU 233 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3ag6 h GLU 233 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 3ag6 h GLU 233 CO -0.37 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 176.51 3ag6 n SER 234 N -2.73 3.03 0.00 1.42 3.41 -0.49 -4.46 113.62 113.80 3ag6 n SER 234 Ca -0.02 -1.89 0.00 0.00 -0.26 0.00 0.00 58.87 56.71 3ag6 n SER 234 Cb 0.29 -0.21 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 3ag6 n SER 234 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3ag6 n HIS 235 N 1.03 0.00 -4.18 7.33 8.25 0.21 -5.07 115.22 122.80 3ag6 n HIS 235 Ca 0.15 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.43 3ag6 n HIS 235 Cb 0.49 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.47 3ag6 n HIS 235 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 3ag6 s ILE 236 N -0.92 0.97 -1.57 1.59 -4.36 -0.09 -4.80 121.20 112.02 3ag6 s ILE 236 Ca 0.00 -1.17 0.19 0.00 -0.26 0.00 0.00 60.65 59.42 3ag6 s ILE 236 Cb 0.00 -0.94 -0.05 0.00 1.25 0.00 0.00 42.46 42.72 3ag6 s ILE 236 CO 0.00 -0.20 0.93 -1.54 0.24 0.00 0.00 174.94 174.37 3ag6 n SER 237 N 1.49 1.63 -4.64 4.36 3.41 -1.26 -4.61 113.62 114.00 3ag6 n SER 237 Ca -0.21 -1.32 -0.29 0.00 -0.26 0.00 0.00 58.87 56.80 3ag6 n SER 237 Cb 0.54 0.59 0.17 0.00 -0.26 0.00 0.00 64.21 65.25 3ag6 n SER 237 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3ag6 s GLU 238 N -2.31 0.56 -0.20 4.33 0.41 -1.26 -5.00 118.70 115.23 3ag6 s GLU 238 Ca 0.14 0.33 -0.21 0.00 -0.41 0.00 0.00 54.97 54.81 3ag6 s GLU 238 Cb 0.15 -1.77 -0.02 0.00 -1.78 0.00 0.00 34.13 30.71 3ag6 s GLU 238 CO 0.55 -2.60 0.65 0.50 -0.49 0.00 0.00 175.26 173.87 3ag6 s ARG 239 N -5.17 4.21 -0.41 1.61 3.00 -1.18 -4.97 118.95 116.04 3ag6 s ARG 239 Ca 0.65 0.65 -0.27 0.00 -1.00 0.00 0.00 55.73 55.76 3ag6 s ARG 239 Cb -0.16 -3.59 0.02 0.00 0.00 0.00 0.00 34.95 31.23 3ag6 s ARG 239 CO 0.55 -0.27 1.00 0.42 0.00 0.00 0.00 175.30 177.00 3ag6 s ILE 240 N 2.01 4.46 0.09 4.11 1.01 -1.26 -1.70 121.20 129.91 3ag6 s ILE 240 Ca 0.29 1.19 0.06 0.00 0.00 0.00 0.00 60.65 62.19 3ag6 s ILE 240 Cb -0.16 -4.43 -0.22 0.00 0.01 0.00 0.00 42.46 37.66 3ag6 s ILE 240 CO 0.10 -0.70 1.16 -0.33 0.00 0.00 0.00 174.94 175.17 3ag6 h GLU 241 N 8.72 0.04 -2.04 2.79 5.08 -1.00 -3.48 114.58 124.70 3ag6 h GLU 241 Ca -0.23 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.02 3ag6 h GLU 241 Cb 1.07 0.02 -0.21 0.00 0.50 0.00 0.00 28.75 30.13 3ag6 h GLU 241 CO 1.03 0.96 0.11 -2.00 -1.00 0.00 0.00 179.01 178.11 3ag6 s GLU 242 N -2.68 0.82 -0.32 2.33 2.56 -0.68 -4.90 118.70 115.84 3ag6 s GLU 242 Ca -0.01 0.97 0.01 0.00 0.00 0.00 0.00 54.97 55.94 3ag6 s GLU 242 Cb 0.09 0.40 0.14 0.00 2.00 0.00 0.00 34.13 36.77 3ag6 s GLU 242 CO 0.83 -0.10 0.33 0.08 -0.56 0.00 0.00 175.26 175.84 3ag6 s VAL 243 N 0.36 -0.38 0.13 3.70 1.01 -1.25 -1.72 120.40 122.25 3ag6 s VAL 243 Ca -0.00 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.34 3ag6 s VAL 243 Cb -0.05 -0.89 -0.04 0.00 0.00 0.00 0.00 36.38 35.40 3ag6 s VAL 243 CO 0.01 -0.50 -0.05 0.00 0.00 0.00 0.00 175.10 174.56 3ag6 s ALA 244 N 2.05 1.20 -0.22 5.51 0.00 -0.89 -4.97 121.76 124.43 3ag6 s ALA 244 Ca 0.12 -1.46 0.01 0.00 0.00 0.00 0.00 51.96 50.62 3ag6 s ALA 244 Cb -0.14 0.27 0.06 0.00 0.00 0.00 0.00 23.12 23.30 3ag6 s ALA 244 CO -0.23 -0.24 -0.06 0.08 0.00 0.00 0.00 175.76 175.32 3ag6 s VAL 245 N -3.58 1.49 0.11 0.00 1.01 -1.26 -1.77 120.40 116.39 3ag6 s VAL 245 Ca 0.17 -1.12 0.06 0.00 0.00 0.00 0.00 61.98 61.09 3ag6 s VAL 245 Cb 0.05 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.67 3ag6 s VAL 245 CO -0.01 -0.05 -0.15 -0.31 0.00 0.00 0.00 175.10 174.59 3ag6 s TYR 246 N 1.43 1.40 0.70 5.22 1.51 -1.12 -1.44 117.35 125.04 3ag6 s TYR 246 Ca -0.05 -0.51 -0.15 0.00 -1.01 0.00 0.00 57.07 55.36 3ag6 s TYR 246 Cb -0.18 -0.75 0.02 0.00 -0.11 0.00 0.00 41.96 40.94 3ag6 s TYR 246 CO -0.07 0.13 1.16 -1.54 -1.11 0.00 0.00 175.55 174.12 3ag6 s SER 247 N -2.19 4.61 -0.02 2.29 1.04 -0.13 -1.17 113.70 118.15 3ag6 s SER 247 Ca 0.06 2.19 0.01 0.00 0.48 0.00 0.00 55.95 58.68 3ag6 s SER 247 Cb -0.07 -2.57 0.01 0.00 0.10 0.00 0.00 66.02 63.49 3ag6 s SER 247 CO 0.03 -1.97 -0.02 -0.47 0.98 0.00 0.00 173.24 171.79 3ag6 s TYR 248 N -2.16 0.31 -2.04 5.02 6.14 -0.45 -0.99 117.35 123.18 3ag6 s TYR 248 Ca 0.71 -0.03 0.10 0.00 0.64 0.00 0.00 57.07 58.49 3ag6 s TYR 248 Cb -0.25 -0.31 0.36 0.00 0.42 0.00 0.00 41.96 42.18 3ag6 s TYR 248 CO 0.43 -0.07 1.27 -0.35 0.64 0.00 0.00 175.55 177.47 3ag6 n PRO 249 N 3.61 1.57 0.24 4.97 -0.04 -1.26 -4.55 135.00 139.54 3ag6 n PRO 249 Ca -0.20 -0.88 0.09 0.00 -0.04 0.00 0.00 63.50 62.46 3ag6 n PRO 249 Cb 0.54 -1.23 0.61 0.00 -0.04 0.00 0.00 33.50 33.39 3ag6 n PRO 249 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 3ag6 h GLN 250 N 1.49 0.00 -5.33 0.54 7.50 -1.94 -3.47 115.11 113.90 3ag6 h GLN 250 Ca 0.00 0.00 -0.33 0.00 0.50 0.00 0.00 58.65 58.82 3ag6 h GLN 250 Cb 0.34 0.00 0.14 0.00 0.05 0.00 0.00 27.48 28.01 3ag6 h GLN 250 CO 0.00 0.15 -0.66 1.28 -1.50 0.00 0.00 178.83 178.10 3ag6 n LEU 251 N -4.04 -3.59 -4.27 1.46 4.32 -0.17 -4.95 117.00 105.76 3ag6 n LEU 251 Ca -0.02 -0.53 -0.34 0.00 -0.02 0.00 0.00 56.01 55.10 3ag6 n LEU 251 Cb 0.23 -2.84 -0.15 0.00 -1.62 0.00 0.00 43.42 39.04 3ag6 n LEU 251 CO 0.33 0.45 -0.44 -0.69 -1.22 0.00 0.00 177.39 175.83 3ag6 s VAL 252 N -3.31 2.93 0.22 4.08 1.01 -1.25 -4.85 120.40 119.23 3ag6 s VAL 252 Ca 0.23 -0.65 -0.31 0.00 0.00 0.00 0.00 61.98 61.25 3ag6 s VAL 252 Cb -0.10 -2.29 -0.14 0.00 0.00 0.00 0.00 36.38 33.84 3ag6 s VAL 252 CO 0.66 0.47 1.28 1.21 0.00 0.00 0.00 175.10 178.73 3ag6 n GLU 253 N 4.52 1.67 -5.05 2.72 2.13 -1.26 -0.95 120.64 124.42 3ag6 n GLU 253 Ca -0.19 0.59 -0.32 0.00 0.66 0.00 0.00 57.16 57.90 3ag6 n GLU 253 Cb 0.51 -2.17 -0.15 0.00 0.27 0.00 0.00 31.44 29.90 3ag6 n GLU 253 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 3ag6 s GLN 254 N -0.56 2.59 -0.14 5.31 -1.52 -0.52 -4.83 119.66 119.98 3ag6 s GLN 254 Ca 0.69 -0.79 0.17 0.00 -1.95 0.00 0.00 55.36 53.47 3ag6 s GLN 254 Cb -0.72 -2.30 -0.24 0.00 -0.22 0.00 0.00 33.01 29.53 3ag6 s GLN 254 CO 0.52 0.48 0.15 0.72 -0.25 0.00 0.00 175.29 176.91 3ag6 n HIS 255 N 2.70 0.00 -4.23 0.91 8.25 -1.26 -4.71 115.22 116.88 3ag6 n HIS 255 Ca -0.17 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.08 3ag6 n HIS 255 Cb 0.52 -0.77 -0.16 0.00 1.12 0.00 0.00 29.99 30.69 3ag6 n HIS 255 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3ag6 s GLU 256 N -2.66 0.99 -0.32 -0.41 2.02 -1.26 -1.38 118.70 115.68 3ag6 s GLU 256 Ca -0.08 -0.16 -0.20 0.00 0.02 0.00 0.00 54.97 54.54 3ag6 s GLU 256 Cb 0.07 -0.95 -0.01 0.00 0.10 0.00 0.00 34.13 33.35 3ag6 s GLU 256 CO 0.75 -0.07 0.64 0.42 0.02 0.00 0.00 175.26 177.02 3ag6 s ILE 257 N 0.90 4.92 -0.02 -1.63 1.01 0.11 -4.88 121.20 121.60 3ag6 s ILE 257 Ca -0.11 0.82 0.05 0.00 0.00 0.00 0.00 60.65 61.40 3ag6 s ILE 257 Cb -0.15 -4.03 0.08 0.00 0.01 0.00 0.00 42.46 38.38 3ag6 s ILE 257 CO 0.01 -0.19 1.04 0.35 0.00 0.00 0.00 174.94 176.15 3ag6 n THR 258 N 5.45 0.30 -3.29 2.92 -2.24 -1.26 -4.87 114.28 111.29 3ag6 n THR 258 Ca -0.01 -0.44 -0.01 0.00 -2.27 0.00 0.00 64.05 61.32 3ag6 n THR 258 Cb 0.49 0.42 0.01 0.00 -2.10 0.00 0.00 70.33 69.14 3ag6 n THR 258 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ag6 n GLY 259 N -0.19 1.56 3.72 3.38 0.00 -1.26 -4.77 105.19 107.62 3ag6 n GLY 259 Ca 0.03 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.61 3ag6 n GLY 259 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3ag6 s ARG 260 N -2.01 4.34 0.25 1.61 3.52 0.13 -4.53 118.95 122.26 3ag6 s ARG 260 Ca 0.04 2.03 0.02 0.00 -0.13 0.00 0.00 55.73 57.68 3ag6 s ARG 260 Cb -0.01 -3.26 -0.04 0.00 -1.56 0.00 0.00 34.95 30.08 3ag6 s ARG 260 CO 0.02 -0.41 0.16 0.96 -0.81 0.00 0.00 175.30 175.23 3ag6 s ILE 261 N 1.07 0.12 -0.03 4.11 -4.36 0.26 -1.34 121.20 121.04 3ag6 s ILE 261 Ca 0.64 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 59.03 3ag6 s ILE 261 Cb -0.36 -2.52 0.03 0.00 1.25 0.00 0.00 42.46 40.87 3ag6 s ILE 261 CO 0.30 0.00 0.01 0.72 0.24 0.00 0.00 174.94 176.22 3ag6 s PHE 262 N -3.85 0.21 -0.38 1.37 -0.71 -0.31 -0.62 117.98 113.68 3ag6 s PHE 262 Ca 0.39 0.05 -0.16 0.00 -1.04 0.00 0.00 56.93 56.17 3ag6 s PHE 262 Cb 0.06 -0.36 0.00 0.00 -1.21 0.00 0.00 43.02 41.51 3ag6 s PHE 262 CO 0.17 -0.12 0.38 0.42 -1.34 0.00 0.00 175.22 174.72 3ag6 s ILE 263 N 1.11 5.16 0.16 -4.49 1.01 0.02 -2.81 121.20 121.36 3ag6 s ILE 263 Ca -0.09 -0.21 0.08 0.00 0.00 0.00 0.00 60.65 60.43 3ag6 s ILE 263 Cb -0.13 -3.91 -0.04 0.00 0.01 0.00 0.00 42.46 38.38 3ag6 s ILE 263 CO -0.02 -0.24 -0.07 -0.94 0.00 0.00 0.00 174.94 173.66 3ag6 s SER 264 N 1.76 4.42 0.08 3.58 1.04 -0.73 -1.68 113.70 122.17 3ag6 s SER 264 Ca 0.11 -0.49 0.05 0.00 0.48 0.00 0.00 55.95 56.09 3ag6 s SER 264 Cb -0.17 -0.82 -0.03 0.00 0.10 0.00 0.00 66.02 65.09 3ag6 s SER 264 CO 0.12 0.12 -0.13 -0.76 0.98 0.00 0.00 173.24 173.57 3ag6 s LEU 265 N -2.73 2.31 -0.07 2.42 1.43 0.56 -2.10 118.68 120.50 3ag6 s LEU 265 Ca 0.25 -0.66 -0.03 0.00 -1.03 0.00 0.00 54.13 52.66 3ag6 s LEU 265 Cb -0.09 -0.44 0.04 0.00 0.03 0.00 0.00 46.19 45.73 3ag6 s LEU 265 CO 0.16 -0.13 0.15 0.00 0.23 0.00 0.00 176.35 176.76 3ag6 s ALA 266 N -1.54 -0.18 -0.04 4.21 0.00 -0.70 -2.30 121.76 121.21 3ag6 s ALA 266 Ca -0.01 0.58 0.02 0.00 0.00 0.00 0.00 51.96 52.55 3ag6 s ALA 266 Cb -0.08 -0.67 0.02 0.00 0.00 0.00 0.00 23.12 22.38 3ag6 s ALA 266 CO 0.02 -0.41 -0.07 0.08 0.00 0.00 0.00 175.76 175.38 3ag6 s VAL 267 N 1.88 0.71 -0.31 0.00 1.01 0.07 -0.28 120.40 123.48 3ag6 s VAL 267 Ca -0.01 -0.25 -0.10 0.00 0.00 0.00 0.00 61.98 61.61 3ag6 s VAL 267 Cb -0.12 -0.68 -0.01 0.00 0.00 0.00 0.00 36.38 35.57 3ag6 s VAL 267 CO -0.06 0.25 0.16 -0.75 0.00 0.00 0.00 175.10 174.71 3ag6 s LYS 268 N 0.66 3.37 0.00 2.72 2.47 -0.69 -0.80 119.74 127.47 3ag6 s LYS 268 Ca -0.10 -0.70 0.00 0.00 -1.56 0.00 0.00 55.97 53.61 3ag6 s LYS 268 Cb -0.13 -3.60 0.00 0.00 -1.46 0.00 0.00 37.83 32.64 3ag6 s LYS 268 CO 0.01 -0.41 0.00 1.19 0.16 0.00 0.00 175.35 176.30 3ag6 n PHE 269 N 5.00 0.00 0.16 4.03 3.01 0.12 -3.13 117.46 126.65 3ag6 n PHE 269 Ca -0.14 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.16 3ag6 n PHE 269 Cb 0.49 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 39.87 3ag6 n PHE 269 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 3ag6 h SER 270 N 0.00 -1.49 0.00 4.37 0.02 -1.98 -3.39 113.55 111.08 3ag6 h SER 270 Ca 0.00 0.15 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 3ag6 h SER 270 Cb 0.00 0.53 0.00 0.00 0.14 0.00 0.00 62.40 63.07 3ag6 h SER 270 CO 0.00 -0.57 -0.25 0.29 -1.14 0.00 0.00 176.83 175.16 3ag6 n LYS 271 N -5.37 3.65 -3.10 3.45 5.02 -1.26 -5.04 118.16 115.51 3ag6 n LYS 271 Ca -0.09 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.79 3ag6 n LYS 271 Cb 0.41 -0.55 -0.06 0.00 -0.02 0.00 0.00 35.03 34.81 3ag6 n LYS 271 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3ag6 s ALA 272 N -0.58 3.60 -0.39 7.82 0.00 -1.26 -4.93 121.76 126.03 3ag6 s ALA 272 Ca 0.00 -0.40 -0.10 0.00 0.00 0.00 0.00 51.96 51.47 3ag6 s ALA 272 Cb 0.00 -3.03 0.05 0.00 0.00 0.00 0.00 23.12 20.14 3ag6 s ALA 272 CO 0.00 -0.77 0.21 0.50 0.00 0.00 0.00 175.76 175.70 3ag6 s ARG 273 N 2.43 2.70 0.14 0.00 3.52 -1.26 -0.70 118.95 125.78 3ag6 s ARG 273 Ca 0.27 -1.25 0.02 0.00 -0.13 0.00 0.00 55.73 54.65 3ag6 s ARG 273 Cb -0.16 -3.71 -0.04 0.00 -1.56 0.00 0.00 34.95 29.49 3ag6 s ARG 273 CO 0.09 -0.80 0.26 -0.51 -0.81 0.00 0.00 175.30 173.53 3ag6 s LEU 274 N 1.48 4.30 0.06 -0.88 1.43 0.02 -4.93 118.68 120.16 3ag6 s LEU 274 Ca 0.02 0.16 0.01 0.00 -1.03 0.00 0.00 54.13 53.29 3ag6 s LEU 274 Cb -0.21 -2.88 -0.03 0.00 0.03 0.00 0.00 46.19 43.10 3ag6 s LEU 274 CO 0.04 0.07 -0.05 0.27 0.23 0.00 0.00 176.35 176.92 3ag6 s ILE 275 N -1.70 0.39 0.21 -0.59 -4.36 -1.26 -0.75 121.20 113.15 3ag6 s ILE 275 Ca 0.34 -1.55 -0.22 0.00 -0.26 0.00 0.00 60.65 58.96 3ag6 s ILE 275 Cb -0.11 -1.17 0.05 0.00 1.25 0.00 0.00 42.46 42.47 3ag6 s ILE 275 CO 0.28 -0.76 0.69 -0.62 0.24 0.00 0.00 174.94 174.76 3ag6 s ASP 276 N -2.45 -0.39 0.13 4.36 -1.08 -0.97 -4.94 116.67 111.32 3ag6 s ASP 276 Ca 0.01 -0.32 -0.25 0.00 -0.52 0.00 0.00 52.55 51.47 3ag6 s ASP 276 Cb 0.01 0.65 0.08 0.00 -1.46 0.00 0.00 42.92 42.20 3ag6 s ASP 276 CO -0.05 -1.14 1.06 0.54 0.52 0.00 0.00 175.17 176.10 3ag6 s ASN 277 N -2.83 -0.08 -0.03 -0.34 2.20 -1.26 -0.32 114.94 112.28 3ag6 s ASN 277 Ca 0.07 -0.45 -0.01 0.00 -0.94 0.00 0.00 52.86 51.53 3ag6 s ASN 277 Cb -0.04 0.42 0.03 0.00 -2.00 0.00 0.00 41.25 39.66 3ag6 s ASN 277 CO -0.02 -0.80 0.06 0.27 -2.94 0.00 0.00 177.10 173.67 3ag6 s ILE 278 N -2.65 -0.05 -0.22 0.54 -4.36 -0.67 -4.97 121.20 108.82 3ag6 s ILE 278 Ca 0.17 0.17 -0.07 0.00 -0.26 0.00 0.00 60.65 60.67 3ag6 s ILE 278 Cb -0.01 -0.12 -0.03 0.00 1.25 0.00 0.00 42.46 43.55 3ag6 s ILE 278 CO 0.02 0.07 0.05 -0.63 0.24 0.00 0.00 174.94 174.69 3ag6 s ILE 279 N 0.92 4.29 0.04 8.37 1.01 -1.26 -0.80 121.20 133.77 3ag6 s ILE 279 Ca -0.07 -0.19 -0.07 0.00 0.00 0.00 0.00 60.65 60.31 3ag6 s ILE 279 Cb -0.10 -2.97 -0.00 0.00 0.01 0.00 0.00 42.46 39.39 3ag6 s ILE 279 CO -0.03 0.39 0.14 -0.51 0.00 0.00 0.00 174.94 174.93 3ag6 s ILE 280 N 1.18 0.12 0.00 2.92 2.07 0.21 -4.99 121.20 122.71 3ag6 s ILE 280 Ca 0.04 -1.02 0.00 0.00 -1.41 0.00 0.00 60.65 58.26 3ag6 s ILE 280 Cb -0.14 -0.94 0.00 0.00 0.13 0.00 0.00 42.46 41.51 3ag6 s ILE 280 CO 0.03 -0.56 0.00 0.61 -1.91 0.00 0.00 174.94 173.10 3ag6 n GLY 281 N 0.67 1.98 0.42 1.50 0.00 -1.26 -0.57 105.19 107.93 3ag6 n GLY 281 Ca -0.19 -2.05 -0.12 0.00 0.00 0.00 0.00 46.02 43.67 3ag6 n GLY 281 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ag6 n ALA 282 N 0.67 1.69 0.94 4.61 0.00 -1.26 -4.56 120.51 122.59 3ag6 n ALA 282 Ca 0.00 -0.62 0.07 0.00 0.00 0.00 0.00 53.44 52.89 3ag6 n ALA 282 Cb 0.00 0.17 0.45 0.00 0.00 0.00 0.00 19.45 20.06 3ag6 n ALA 282 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89