#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ud9 s HIS 2 N 0.00 -0.12 -0.04 0.00 5.04 -0.51 -1.25 115.29 118.41 1ud9 s HIS 2 Ca 0.00 0.52 0.02 0.00 -1.54 0.00 0.00 55.06 54.07 1ud9 s HIS 2 Cb 0.00 -0.30 0.01 0.00 0.04 0.00 0.00 32.58 32.33 1ud9 s HIS 2 CO 0.00 -0.25 -0.11 0.42 -2.34 0.00 0.00 174.74 172.47 1ud9 s ILE 3 N 2.20 0.95 -0.08 0.89 1.01 0.50 -0.31 121.20 126.36 1ud9 s ILE 3 Ca 0.03 -0.42 0.02 0.00 0.00 0.00 0.00 60.65 60.28 1ud9 s ILE 3 Cb -0.12 -0.86 0.01 0.00 0.01 0.00 0.00 42.46 41.50 1ud9 s ILE 3 CO -0.05 0.30 -0.14 -0.69 0.00 0.00 0.00 174.94 174.36 1ud9 s VAL 4 N 0.41 1.33 0.04 2.92 1.01 0.03 0.18 120.40 126.30 1ud9 s VAL 4 Ca -0.08 -0.57 0.08 0.00 0.00 0.00 0.00 61.98 61.41 1ud9 s VAL 4 Cb -0.12 -1.21 -0.03 0.00 0.00 0.00 0.00 36.38 35.02 1ud9 s VAL 4 CO 0.02 0.40 -0.22 -0.47 0.00 0.00 0.00 175.10 174.83 1ud9 s TYR 5 N 0.78 2.46 -0.83 5.22 5.04 -0.51 -1.49 117.35 128.01 1ud9 s TYR 5 Ca -0.12 -0.32 0.27 0.00 -2.44 0.00 0.00 57.07 54.46 1ud9 s TYR 5 Cb -0.16 -1.44 0.91 0.00 0.35 0.00 0.00 41.96 41.63 1ud9 s TYR 5 CO 0.02 0.19 1.79 -0.40 -1.34 0.00 0.00 175.55 175.81 1ud9 n ASP 6 N 1.69 0.52 -3.46 4.32 5.75 -1.26 -1.39 116.55 122.71 1ud9 n ASP 6 Ca -0.16 0.49 -0.28 0.00 -0.01 0.00 0.00 54.79 54.83 1ud9 n ASP 6 Cb 0.52 -0.59 -0.12 0.00 -1.03 0.00 0.00 41.12 39.90 1ud9 n ASP 6 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1ud9 s ASP 7 N -3.94 2.89 0.59 -1.12 -1.08 -1.24 -3.35 116.67 109.43 1ud9 s ASP 7 Ca 0.12 -1.98 0.29 0.00 -0.52 0.00 0.00 52.55 50.46 1ud9 s ASP 7 Cb 0.15 -0.30 1.45 0.00 -1.46 0.00 0.00 42.92 42.77 1ud9 s ASP 7 CO 0.59 -0.33 1.87 1.62 0.52 0.00 0.00 175.17 179.44 1ud9 h VAL 8 N 5.26 0.35 -0.25 1.11 3.04 -1.01 -1.89 116.25 122.86 1ud9 h VAL 8 Ca 0.02 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.70 1ud9 h VAL 8 Cb 0.98 0.58 -0.01 0.00 -2.01 0.00 0.00 31.29 30.84 1ud9 h VAL 8 CO 0.28 0.00 0.14 0.03 -1.01 0.00 0.00 177.57 177.01 1ud9 h ARG 9 N 0.00 0.33 -0.39 4.17 3.08 -1.84 -1.27 114.38 118.47 1ud9 h ARG 9 Ca 0.24 -0.03 -0.10 0.00 0.07 0.00 0.00 59.98 60.17 1ud9 h ARG 9 Cb 1.29 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.26 1ud9 h ARG 9 CO -0.00 0.25 -0.14 -0.44 -1.07 0.00 0.00 179.97 178.57 1ud9 h ASP 10 N 0.34 0.79 -0.78 7.04 3.32 -1.73 -0.96 116.42 124.45 1ud9 h ASP 10 Ca 0.09 -0.38 -0.04 0.00 0.02 0.00 0.00 57.03 56.72 1ud9 h ASP 10 Cb 0.01 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.31 1ud9 h ASP 10 CO -0.02 1.00 0.33 0.25 -1.72 0.00 0.00 179.24 179.08 1ud9 h LEU 11 N 0.58 1.07 -0.47 1.55 5.85 -1.49 -1.34 115.31 121.06 1ud9 h LEU 11 Ca 0.09 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 1ud9 h LEU 11 Cb 0.67 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 1ud9 h LEU 11 CO 0.05 0.93 0.27 0.50 -0.34 0.00 0.00 178.44 179.85 1ud9 h LYS 12 N 1.14 0.65 -0.63 1.25 3.64 -1.12 -0.82 116.57 120.68 1ud9 h LYS 12 Ca 0.27 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.52 1ud9 h LYS 12 Cb 0.19 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.85 1ud9 h LYS 12 CO -0.03 0.50 0.18 0.00 -2.27 0.00 0.00 179.45 177.84 1ud9 h ALA 13 N 1.12 1.13 -0.21 5.00 0.00 -0.78 -0.59 119.26 124.93 1ud9 h ALA 13 Ca 0.17 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1ud9 h ALA 13 Cb 0.03 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1ud9 h ALA 13 CO -0.03 0.59 0.04 0.82 0.00 0.00 0.00 179.25 180.67 1ud9 h ILE 14 N 0.93 1.22 -0.18 0.00 2.04 -0.91 -2.94 117.51 117.68 1ud9 h ILE 14 Ca 0.21 -0.73 -0.13 0.00 1.00 0.00 0.00 64.86 65.20 1ud9 h ILE 14 Cb 0.29 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.65 1ud9 h ILE 14 CO -0.01 0.23 -0.45 0.40 0.00 0.00 0.00 178.15 178.33 1ud9 h ILE 15 N 0.15 1.31 -0.61 -0.67 1.08 -0.77 -1.01 117.51 117.00 1ud9 h ILE 15 Ca 0.06 -1.63 0.04 0.00 -0.39 0.00 0.00 64.86 62.95 1ud9 h ILE 15 Cb 0.31 1.66 -0.03 0.00 -3.07 0.00 0.00 36.82 35.69 1ud9 h ILE 15 CO 0.00 0.50 0.40 1.56 -0.69 0.00 0.00 178.15 179.93 1ud9 h GLN 16 N 0.36 0.65 0.09 2.37 4.20 -1.07 -0.59 115.11 121.11 1ud9 h GLN 16 Ca 0.03 -0.04 -0.19 0.00 0.06 0.00 0.00 58.65 58.51 1ud9 h GLN 16 Cb 0.93 -0.15 0.02 0.00 0.30 0.00 0.00 27.48 28.58 1ud9 h GLN 16 CO 0.08 0.43 -0.79 0.00 -0.67 0.00 0.00 178.83 177.88 1ud9 h ALA 17 N 1.66 -0.02 -0.98 3.87 0.00 -1.26 -3.34 119.26 119.19 1ud9 h ALA 17 Ca 0.25 -0.66 0.06 0.00 0.00 0.00 0.00 54.91 54.56 1ud9 h ALA 17 Cb 0.16 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 17.96 1ud9 h ALA 17 CO -0.07 0.40 0.63 -0.07 0.00 0.00 0.00 179.25 180.14 1ud9 h LEU 18 N -0.19 1.01 -1.88 0.00 3.38 -0.68 -1.73 115.31 115.22 1ud9 h LEU 18 Ca -0.12 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1ud9 h LEU 18 Cb 1.55 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 42.10 1ud9 h LEU 18 CO 0.15 0.65 0.00 0.17 0.09 0.00 0.00 178.44 179.50 1ud9 h LEU 19 N 1.15 0.00 0.00 1.67 8.10 -1.24 -0.48 115.31 124.51 1ud9 h LEU 19 Ca 0.42 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.41 1ud9 h LEU 19 Cb 0.15 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.37 1ud9 h LEU 19 CO -0.17 0.00 -0.14 0.11 -4.11 0.00 0.00 178.44 174.13 1ud9 h LYS 20 N 0.00 0.00 0.00 0.17 1.79 -1.46 -3.34 116.57 113.73 1ud9 h LYS 20 Ca 0.00 0.00 -0.39 0.00 -2.18 0.00 0.00 60.65 58.08 1ud9 h LYS 20 Cb 0.16 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 30.74 1ud9 h LYS 20 CO 0.00 0.00 -2.48 1.28 -1.08 0.00 0.00 179.45 177.17 1ud9 n LEU 21 N -2.67 2.92 -3.88 2.94 4.32 -0.30 -5.05 117.00 115.28 1ud9 n LEU 21 Ca 0.04 -0.11 -0.11 0.00 -0.02 0.00 0.00 56.01 55.81 1ud9 n LEU 21 Cb 0.49 -0.90 -0.10 0.00 -1.62 0.00 0.00 43.42 41.28 1ud9 n LEU 21 CO 0.33 0.92 -0.19 0.68 -1.22 0.00 0.00 177.39 177.91 1ud9 s VAL 22 N -2.52 0.09 -0.07 4.08 -7.23 -0.56 -4.31 120.40 109.88 1ud9 s VAL 22 Ca -0.35 -0.71 0.14 0.00 -1.81 0.00 0.00 61.98 59.25 1ud9 s VAL 22 Cb 0.09 -0.42 0.03 0.00 0.56 0.00 0.00 36.38 36.65 1ud9 s VAL 22 CO 0.59 -0.39 1.46 0.44 -0.31 0.00 0.00 175.10 176.90 1ud9 h ASP 23 N 4.31 0.00 -4.76 4.85 3.32 -1.86 -3.39 116.42 118.90 1ud9 h ASP 23 Ca -0.31 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.48 1ud9 h ASP 23 Cb 1.19 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.55 1ud9 h ASP 23 CO 0.41 0.56 -0.72 -1.61 -1.72 0.00 0.00 179.24 176.15 1ud9 s GLU 24 N -3.02 0.58 0.28 3.56 2.02 -1.26 -0.89 118.70 119.96 1ud9 s GLU 24 Ca 0.03 -0.87 -0.11 0.00 0.02 0.00 0.00 54.97 54.04 1ud9 s GLU 24 Cb 0.08 -0.25 0.00 0.00 0.10 0.00 0.00 34.13 34.07 1ud9 s GLU 24 CO 0.75 0.03 0.51 0.00 0.02 0.00 0.00 175.26 176.56 1ud9 s ALA 25 N -1.85 -0.12 -0.05 5.21 0.00 -0.60 -4.89 121.76 119.46 1ud9 s ALA 25 Ca -0.06 -0.97 -0.01 0.00 0.00 0.00 0.00 51.96 50.92 1ud9 s ALA 25 Cb -0.07 1.05 0.03 0.00 0.00 0.00 0.00 23.12 24.13 1ud9 s ALA 25 CO -0.01 -0.86 0.01 -1.17 0.00 0.00 0.00 175.76 173.73 1ud9 s LEU 26 N -3.06 0.80 -0.17 0.00 0.20 -1.26 -1.22 118.68 113.97 1ud9 s LEU 26 Ca 0.23 -0.03 -0.20 0.00 0.69 0.00 0.00 54.13 54.81 1ud9 s LEU 26 Cb -0.01 -0.30 -0.03 0.00 -0.43 0.00 0.00 46.19 45.42 1ud9 s LEU 26 CO 0.11 -0.15 0.60 -0.36 -0.29 0.00 0.00 176.35 176.26 1ud9 s PHE 27 N 1.53 3.42 -0.50 5.38 2.99 0.15 -4.43 117.98 126.51 1ud9 s PHE 27 Ca -0.02 0.94 -0.17 0.00 0.00 0.00 0.00 56.93 57.68 1ud9 s PHE 27 Cb -0.13 -2.75 0.08 0.00 0.00 0.00 0.00 43.02 40.23 1ud9 s PHE 27 CO -0.03 -0.08 0.49 0.34 -0.00 0.00 0.00 175.22 175.94 1ud9 s ASP 28 N 1.06 6.17 -0.50 1.36 2.15 -0.23 -0.83 116.67 125.85 1ud9 s ASP 28 Ca 0.29 -1.34 -0.17 0.00 0.43 0.00 0.00 52.55 51.76 1ud9 s ASP 28 Cb -0.16 -2.22 0.08 0.00 -0.30 0.00 0.00 42.92 40.32 1ud9 s ASP 28 CO 0.11 -0.78 0.49 -0.63 -0.17 0.00 0.00 175.17 174.19 1ud9 s ILE 29 N 1.93 5.12 0.39 4.11 1.01 -0.15 -0.98 121.20 132.63 1ud9 s ILE 29 Ca 0.07 -1.01 0.08 0.00 0.00 0.00 0.00 60.65 59.78 1ud9 s ILE 29 Cb -0.24 -4.24 -0.06 0.00 0.01 0.00 0.00 42.46 37.93 1ud9 s ILE 29 CO 0.07 -0.73 0.08 -0.54 0.00 0.00 0.00 174.94 173.82 1ud9 s LYS 30 N 1.94 2.10 0.42 2.79 1.02 -0.55 -0.93 119.74 126.53 1ud9 s LYS 30 Ca 0.07 -1.90 0.15 0.00 0.02 0.00 0.00 55.97 54.31 1ud9 s LYS 30 Cb -0.24 -1.86 1.04 0.00 -0.52 0.00 0.00 37.83 36.25 1ud9 s LYS 30 CO 0.07 -0.03 1.90 -1.35 -0.92 0.00 0.00 175.35 175.03 1ud9 h PRO 31 N 1.64 0.43 0.00 -1.68 0.11 -1.91 -1.95 132.00 128.64 1ud9 h PRO 31 Ca -0.43 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1ud9 h PRO 31 Cb 1.25 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1ud9 h PRO 31 CO 0.72 0.28 -0.31 -0.85 -0.21 0.00 0.00 178.00 177.63 1ud9 n GLU 32 N -4.49 0.22 -2.65 1.05 0.00 -1.26 -4.83 120.64 108.67 1ud9 n GLU 32 Ca 0.16 0.11 0.00 0.00 0.00 0.00 0.00 57.16 57.43 1ud9 n GLU 32 Cb 0.56 -1.69 0.00 0.00 0.00 0.00 0.00 31.44 30.31 1ud9 n GLU 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1ud9 n GLY 33 N 1.36 -1.14 3.55 -1.84 0.00 -0.73 -1.19 105.19 105.20 1ud9 n GLY 33 Ca 0.05 -1.50 -0.34 0.00 0.00 0.00 0.00 46.02 44.23 1ud9 n GLY 33 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ud9 s ILE 34 N -2.12 3.60 0.09 -0.61 1.01 -0.25 -1.48 121.20 121.44 1ud9 s ILE 34 Ca 0.00 -0.51 0.06 0.00 0.00 0.00 0.00 60.65 60.20 1ud9 s ILE 34 Cb 0.00 -2.47 -0.03 0.00 0.01 0.00 0.00 42.46 39.97 1ud9 s ILE 34 CO 0.00 0.59 -0.15 -1.10 0.00 0.00 0.00 174.94 174.27 1ud9 s GLN 35 N -0.65 0.93 -0.10 2.79 -0.21 -0.15 -1.02 119.66 121.24 1ud9 s GLN 35 Ca 0.10 -1.07 -0.15 0.00 0.02 0.00 0.00 55.36 54.26 1ud9 s GLN 35 Cb -0.11 -0.94 0.03 0.00 1.00 0.00 0.00 33.01 32.99 1ud9 s GLN 35 CO 0.02 0.20 0.38 -1.17 -2.12 0.00 0.00 175.29 172.60 1ud9 s LEU 36 N -1.97 0.57 -0.00 2.90 0.20 -0.45 -1.07 118.68 118.87 1ud9 s LEU 36 Ca 0.02 0.55 0.02 0.00 0.69 0.00 0.00 54.13 55.42 1ud9 s LEU 36 Cb -0.09 1.36 -0.01 0.00 -0.43 0.00 0.00 46.19 47.03 1ud9 s LEU 36 CO 0.03 -0.26 -0.06 -0.69 -0.29 0.00 0.00 176.35 175.08 1ud9 s VAL 37 N -0.35 0.44 -0.09 1.68 1.01 -1.26 -0.29 120.40 121.55 1ud9 s VAL 37 Ca -0.05 -0.28 -0.07 0.00 0.00 0.00 0.00 61.98 61.58 1ud9 s VAL 37 Cb -0.03 -0.38 0.03 0.00 0.00 0.00 0.00 36.38 35.99 1ud9 s VAL 37 CO 0.02 0.10 0.23 0.00 0.00 0.00 0.00 175.10 175.45 1ud9 s ALA 38 N -0.19 -0.55 -0.01 5.51 0.00 -0.12 -4.64 121.76 121.76 1ud9 s ALA 38 Ca 0.02 0.68 0.04 0.00 0.00 0.00 0.00 51.96 52.70 1ud9 s ALA 38 Cb -0.02 -0.40 -0.01 0.00 0.00 0.00 0.00 23.12 22.68 1ud9 s ALA 38 CO -0.00 -0.12 -0.14 -1.50 0.00 0.00 0.00 175.76 174.00 1ud9 s ILE 39 N 0.28 1.10 0.87 0.00 2.07 -1.26 -0.85 121.20 123.40 1ud9 s ILE 39 Ca -0.01 -0.60 -0.11 0.00 -1.41 0.00 0.00 60.65 58.52 1ud9 s ILE 39 Cb -0.03 -0.92 0.11 0.00 0.13 0.00 0.00 42.46 41.75 1ud9 s ILE 39 CO -0.01 0.31 1.09 1.51 -1.91 0.00 0.00 174.94 175.94 1ud9 s ASP 40 N -0.32 3.73 0.31 4.50 1.47 -0.71 -4.84 116.67 120.81 1ud9 s ASP 40 Ca 0.05 1.57 0.04 0.00 1.18 0.00 0.00 52.55 55.39 1ud9 s ASP 40 Cb -0.06 -2.25 0.64 0.00 -0.34 0.00 0.00 42.92 40.91 1ud9 s ASP 40 CO -0.00 -2.49 1.86 0.11 0.68 0.00 0.00 175.17 175.33 1ud9 h LYS 41 N -1.44 0.87 0.00 2.11 1.57 -1.93 -1.67 116.57 116.08 1ud9 h LYS 41 Ca -0.48 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.25 1ud9 h LYS 41 Cb 1.27 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.38 1ud9 h LYS 41 CO 0.54 0.58 0.00 0.00 -0.57 0.00 0.00 179.45 179.99 1ud9 n ALA 42 N -2.39 2.37 -3.65 3.86 0.00 -1.26 -4.90 120.51 114.54 1ud9 n ALA 42 Ca 0.17 -0.13 -0.24 0.00 0.00 0.00 0.00 53.44 53.25 1ud9 n ALA 42 Cb 0.36 -1.44 0.06 0.00 0.00 0.00 0.00 19.45 18.43 1ud9 n ALA 42 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1ud9 n HIS 43 N -1.27 -2.45 -0.08 0.00 8.25 -0.63 -4.91 115.22 114.12 1ud9 n HIS 43 Ca 0.13 0.95 -0.09 0.00 -0.26 0.00 0.00 57.72 58.45 1ud9 n HIS 43 Cb 0.21 -4.70 -0.13 0.00 1.12 0.00 0.00 29.99 26.49 1ud9 n HIS 43 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1ud9 n ILE 44 N -4.63 1.13 -3.98 1.59 2.08 -1.26 -4.94 119.36 109.34 1ud9 n ILE 44 Ca -0.10 -0.67 -0.09 0.00 0.56 0.00 0.00 62.75 62.46 1ud9 n ILE 44 Cb 0.59 -0.65 -0.10 0.00 -0.75 0.00 0.00 39.64 38.74 1ud9 n ILE 44 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 1ud9 s SER 45 N -5.14 0.28 -0.02 4.38 1.04 -1.26 -0.47 113.70 112.52 1ud9 s SER 45 Ca -0.11 -0.67 -0.21 0.00 0.48 0.00 0.00 55.95 55.45 1ud9 s SER 45 Cb 0.05 0.20 0.04 0.00 0.10 0.00 0.00 66.02 66.41 1ud9 s SER 45 CO 0.65 -0.50 0.45 -0.22 0.98 0.00 0.00 173.24 174.59 1ud9 s LEU 46 N -2.26 0.28 -0.03 2.42 0.20 -0.42 -1.74 118.68 117.12 1ud9 s LEU 46 Ca -0.03 0.28 0.04 0.00 0.69 0.00 0.00 54.13 55.10 1ud9 s LEU 46 Cb 0.00 1.76 -0.00 0.00 -0.43 0.00 0.00 46.19 47.52 1ud9 s LEU 46 CO -0.06 -0.54 -0.15 -0.63 -0.29 0.00 0.00 176.35 174.69 1ud9 s ILE 47 N -1.48 1.22 -0.03 6.68 1.01 -0.03 -1.14 121.20 127.43 1ud9 s ILE 47 Ca -0.11 -0.61 0.05 0.00 0.00 0.00 0.00 60.65 59.97 1ud9 s ILE 47 Cb -0.03 -1.05 -0.01 0.00 0.01 0.00 0.00 42.46 41.38 1ud9 s ILE 47 CO 0.05 0.36 -0.17 -0.75 0.00 0.00 0.00 174.94 174.43 1ud9 s LYS 48 N 0.02 1.61 -0.06 2.79 2.20 0.06 -0.95 119.74 125.41 1ud9 s LYS 48 Ca -0.02 -0.60 0.04 0.00 -0.36 0.00 0.00 55.97 55.03 1ud9 s LYS 48 Cb -0.10 -1.45 0.00 0.00 -1.51 0.00 0.00 37.83 34.77 1ud9 s LYS 48 CO 0.01 0.29 -0.17 0.42 -0.36 0.00 0.00 175.35 175.54 1ud9 s ILE 49 N -0.12 1.45 -0.13 5.43 1.01 0.60 -0.66 121.20 128.78 1ud9 s ILE 49 Ca 0.00 -0.70 -0.01 0.00 0.00 0.00 0.00 60.65 59.95 1ud9 s ILE 49 Cb -0.10 -1.27 0.03 0.00 0.01 0.00 0.00 42.46 41.14 1ud9 s ILE 49 CO 0.01 0.42 -0.05 -1.61 0.00 0.00 0.00 174.94 173.71 1ud9 s GLU 50 N 0.27 1.34 -0.47 2.79 2.02 -0.22 -1.34 118.70 123.08 1ud9 s GLU 50 Ca -0.09 -0.30 0.03 0.00 0.02 0.00 0.00 54.97 54.62 1ud9 s GLU 50 Cb -0.14 -1.67 0.13 0.00 0.10 0.00 0.00 34.13 32.55 1ud9 s GLU 50 CO 0.04 -0.34 0.25 -0.51 0.02 0.00 0.00 175.26 174.71 1ud9 s LEU 51 N 1.72 3.42 0.74 1.80 1.43 -0.19 -0.74 118.68 126.87 1ud9 s LEU 51 Ca 0.03 -2.79 -0.15 0.00 -1.03 0.00 0.00 54.13 50.19 1ud9 s LEU 51 Cb -0.14 -1.31 0.05 0.00 0.03 0.00 0.00 46.19 44.82 1ud9 s LEU 51 CO -0.08 -0.25 1.23 -2.84 0.23 0.00 0.00 176.35 174.64 1ud9 s PRO 52 N 0.08 2.00 0.53 1.29 0.02 -1.26 -1.09 135.00 136.57 1ud9 s PRO 52 Ca 0.17 1.84 0.23 0.00 0.02 0.00 0.00 61.00 63.27 1ud9 s PRO 52 Cb -0.25 -1.81 1.37 0.00 0.02 0.00 0.00 34.50 33.83 1ud9 s PRO 52 CO 0.00 -1.96 2.03 1.57 -0.33 0.00 0.00 177.00 178.31 1ud9 h LYS 53 N -0.36 0.00 0.00 5.54 2.10 -1.47 -0.78 116.57 121.59 1ud9 h LYS 53 Ca -0.48 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.17 1ud9 h LYS 53 Cb 1.31 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.64 1ud9 h LYS 53 CO 0.49 0.00 -0.01 0.93 -2.00 0.00 0.00 179.45 178.86 1ud9 h GLU 54 N 0.00 0.00 -0.00 0.07 3.07 -1.84 -2.30 114.58 113.58 1ud9 h GLU 54 Ca 0.20 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.06 1ud9 h GLU 54 Cb 0.82 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.73 1ud9 h GLU 54 CO -0.00 0.01 -0.02 0.00 -1.40 0.00 0.00 179.01 177.60 1ud9 n MET 55 N -3.40 1.03 -4.05 2.33 0.00 -0.30 -4.85 117.12 107.87 1ud9 n MET 55 Ca -0.03 -0.23 -0.34 0.00 0.00 0.00 0.00 57.70 57.10 1ud9 n MET 55 Cb 0.10 -1.50 -0.07 0.00 0.00 0.00 0.00 33.22 31.76 1ud9 n MET 55 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 175.97 175.91 1ud9 s PHE 56 N -2.13 3.38 0.16 3.17 0.40 -0.87 -4.78 117.98 117.31 1ud9 s PHE 56 Ca 0.41 0.29 -0.15 0.00 -0.60 0.00 0.00 56.93 56.87 1ud9 s PHE 56 Cb 0.21 -1.79 0.05 0.00 0.51 0.00 0.00 43.02 42.00 1ud9 s PHE 56 CO 0.39 0.59 1.80 -0.22 0.70 0.00 0.00 175.22 178.48 1ud9 h LYS 57 N 4.30 0.48 -4.16 0.44 1.63 -1.58 -3.43 116.57 114.25 1ud9 h LYS 57 Ca -0.50 -0.03 -0.28 0.00 -0.85 0.00 0.00 60.65 58.99 1ud9 h LYS 57 Cb 1.19 -0.11 -0.27 0.00 -0.60 0.00 0.00 32.23 32.44 1ud9 h LYS 57 CO 0.62 0.32 -0.74 -1.21 -3.45 0.00 0.00 179.45 174.99 1ud9 s GLU 58 N -6.15 0.31 -0.35 1.90 2.02 -1.14 -4.97 118.70 110.31 1ud9 s GLU 58 Ca -0.13 -0.23 0.02 0.00 0.02 0.00 0.00 54.97 54.65 1ud9 s GLU 58 Cb 0.12 -0.25 0.15 0.00 0.10 0.00 0.00 34.13 34.24 1ud9 s GLU 58 CO 0.72 0.06 0.33 -0.47 0.02 0.00 0.00 175.26 175.93 1ud9 s TYR 59 N -0.32 -0.19 -0.67 1.61 5.04 -1.26 -0.79 117.35 120.77 1ud9 s TYR 59 Ca -0.01 -0.80 -0.07 0.00 -2.44 0.00 0.00 57.07 53.75 1ud9 s TYR 59 Cb -0.03 -0.49 0.17 0.00 0.35 0.00 0.00 41.96 41.96 1ud9 s TYR 59 CO -0.00 -0.94 0.52 0.34 -1.34 0.00 0.00 175.55 174.13 1ud9 s ASP 60 N 1.58 5.71 -0.49 4.32 2.15 0.58 -5.01 116.67 125.51 1ud9 s ASP 60 Ca 0.15 -2.72 0.03 0.00 0.43 0.00 0.00 52.55 50.45 1ud9 s ASP 60 Cb -0.16 -1.97 0.14 0.00 -0.30 0.00 0.00 42.92 40.63 1ud9 s ASP 60 CO -0.09 -0.46 0.27 -0.69 -0.17 0.00 0.00 175.17 174.03 1ud9 s VAL 61 N 0.14 1.97 0.19 1.11 1.01 -1.26 -1.42 120.40 122.13 1ud9 s VAL 61 Ca 0.16 -2.99 -0.10 0.00 0.00 0.00 0.00 61.98 59.05 1ud9 s VAL 61 Cb -0.18 -2.37 0.10 0.00 0.00 0.00 0.00 36.38 33.94 1ud9 s VAL 61 CO -0.05 -0.87 1.74 -0.65 0.00 0.00 0.00 175.10 175.27 1ud9 h PRO 62 N 6.52 1.01 -4.69 2.72 0.11 -1.96 -3.38 132.00 132.32 1ud9 h PRO 62 Ca -0.02 -0.19 -0.38 0.00 0.11 0.00 0.00 66.00 65.52 1ud9 h PRO 62 Cb 0.90 -0.16 -0.28 0.00 0.11 0.00 0.00 31.00 31.57 1ud9 h PRO 62 CO 0.58 0.85 -0.77 -1.21 -0.21 0.00 0.00 178.00 177.24 1ud9 s GLU 63 N -5.52 0.68 0.58 1.05 2.02 -1.26 -4.92 118.70 111.33 1ud9 s GLU 63 Ca -0.13 -0.35 -0.20 0.00 0.02 0.00 0.00 54.97 54.31 1ud9 s GLU 63 Cb 0.14 -0.65 -0.04 0.00 0.10 0.00 0.00 34.13 33.68 1ud9 s GLU 63 CO 0.81 0.18 1.29 -1.83 0.02 0.00 0.00 175.26 175.73 1ud9 s GLU 64 N -0.33 2.97 0.18 1.61 -1.05 -1.26 -4.89 118.70 115.92 1ud9 s GLU 64 Ca 0.02 2.04 -0.17 0.00 -0.15 0.00 0.00 54.97 56.72 1ud9 s GLU 64 Cb -0.04 -2.06 0.03 0.00 -0.44 0.00 0.00 34.13 31.62 1ud9 s GLU 64 CO -0.00 -1.27 0.48 -0.59 0.95 0.00 0.00 175.26 174.83 1ud9 s PHE 65 N -1.42 -0.10 -0.14 4.83 -0.12 -0.11 -5.01 117.98 115.91 1ud9 s PHE 65 Ca 0.76 -0.24 0.01 0.00 -0.05 0.00 0.00 56.93 57.41 1ud9 s PHE 65 Cb -0.36 0.33 -0.01 0.00 -0.63 0.00 0.00 43.02 42.35 1ud9 s PHE 65 CO 0.40 -0.85 -0.16 0.15 -0.05 0.00 0.00 175.22 174.72 1ud9 s LYS 66 N -3.86 3.25 -0.39 1.99 1.02 -1.26 -0.98 119.74 119.50 1ud9 s LYS 66 Ca 0.08 -0.75 -0.07 0.00 0.02 0.00 0.00 55.97 55.26 1ud9 s LYS 66 Cb 0.00 -2.59 0.08 0.00 -0.52 0.00 0.00 37.83 34.80 1ud9 s LYS 66 CO -0.05 0.09 0.20 0.12 -0.92 0.00 0.00 175.35 174.79 1ud9 s PHE 67 N 0.62 3.37 0.03 3.18 5.36 -0.01 -4.98 117.98 125.56 1ud9 s PHE 67 Ca -0.09 -1.73 -0.15 0.00 -0.96 0.00 0.00 56.93 54.00 1ud9 s PHE 67 Cb -0.16 -2.82 -0.06 0.00 -0.34 0.00 0.00 43.02 39.64 1ud9 s PHE 67 CO 0.03 -0.85 0.45 0.20 -1.46 0.00 0.00 175.22 173.58 1ud9 s GLY 68 N 1.87 2.51 0.14 13.12 0.00 -1.23 -0.68 107.32 123.04 1ud9 s GLY 68 Ca 0.02 -0.17 -0.12 0.00 0.00 0.00 0.00 44.72 44.45 1ud9 s GLY 68 CO 0.01 0.19 0.33 -0.11 0.00 0.00 0.00 173.10 173.52 1ud9 s PHE 69 N -1.12 0.06 -0.21 1.90 -0.12 -0.36 -2.21 117.98 115.92 1ud9 s PHE 69 Ca 0.26 -0.43 -0.18 0.00 -0.05 0.00 0.00 56.93 56.53 1ud9 s PHE 69 Cb -0.17 0.11 -0.03 0.00 -0.63 0.00 0.00 43.02 42.30 1ud9 s PHE 69 CO 0.15 -0.69 0.50 1.21 -0.05 0.00 0.00 175.22 176.34 1ud9 s ASN 70 N -2.87 6.53 0.16 1.98 3.84 -1.26 -1.56 114.94 121.76 1ud9 s ASN 70 Ca 0.08 0.64 -0.12 0.00 0.21 0.00 0.00 52.86 53.67 1ud9 s ASN 70 Cb 0.03 -2.28 0.04 0.00 -0.55 0.00 0.00 41.25 38.49 1ud9 s ASN 70 CO -0.07 -0.18 1.66 0.71 -2.79 0.00 0.00 177.10 176.43 1ud9 h THR 71 N 5.14 1.25 -0.34 -5.21 1.35 -1.28 -2.08 112.91 111.72 1ud9 h THR 71 Ca -0.34 -0.89 -0.12 0.00 -0.55 0.00 0.00 66.41 64.52 1ud9 h THR 71 Cb 1.15 0.79 -0.01 0.00 -1.73 0.00 0.00 68.15 68.35 1ud9 h THR 71 CO 0.73 0.32 -0.28 1.56 -0.25 0.00 0.00 175.52 177.61 1ud9 h GLN 72 N 0.76 0.71 -0.24 4.72 4.20 -1.88 -0.71 115.11 122.67 1ud9 h GLN 72 Ca 0.17 -0.31 -0.01 0.00 0.06 0.00 0.00 58.65 58.56 1ud9 h GLN 72 Cb 0.35 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 1ud9 h GLN 72 CO 0.00 0.91 0.11 -0.92 -0.67 0.00 0.00 178.83 178.26 1ud9 h TYR 73 N 0.61 0.36 -0.61 2.96 3.20 -1.89 -1.60 116.97 120.00 1ud9 h TYR 73 Ca 0.08 -0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.87 1ud9 h TYR 73 Cb 0.78 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.92 1ud9 h TYR 73 CO 0.04 0.36 0.16 1.98 -1.64 0.00 0.00 178.16 179.06 1ud9 h MET 74 N 0.25 0.94 -0.50 1.82 4.05 -1.24 -1.84 114.93 118.40 1ud9 h MET 74 Ca 0.08 -0.20 -0.05 0.00 -0.28 0.00 0.00 59.70 59.25 1ud9 h MET 74 Cb 0.15 -0.14 -0.02 0.00 -0.80 0.00 0.00 31.60 30.79 1ud9 h MET 74 CO -0.01 0.83 0.10 1.03 0.23 0.00 0.00 176.91 179.09 1ud9 h SER 75 N 0.90 0.72 0.50 1.39 0.87 -0.93 -1.37 113.55 115.64 1ud9 h SER 75 Ca 0.20 -0.13 -0.09 0.00 -1.23 0.00 0.00 61.79 60.53 1ud9 h SER 75 Cb 0.31 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 1ud9 h SER 75 CO -0.00 0.73 -0.43 0.11 -0.53 0.00 0.00 176.83 176.71 1ud9 h LYS 76 N 0.74 0.00 -0.01 2.24 1.79 -0.52 -1.31 116.57 119.50 1ud9 h LYS 76 Ca 0.16 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.50 1ud9 h LYS 76 Cb 0.31 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.94 1ud9 h LYS 76 CO 0.00 0.43 -0.61 -0.07 -1.08 0.00 0.00 179.45 178.12 1ud9 h LEU 77 N 0.00 0.04 -0.78 2.94 3.38 -0.53 -3.05 115.31 117.32 1ud9 h LEU 77 Ca -0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1ud9 h LEU 77 Cb 0.80 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1ud9 h LEU 77 CO 0.06 0.64 -0.17 0.18 0.09 0.00 0.00 178.44 179.23 1ud9 n LEU 78 N -3.83 1.38 -0.34 1.67 4.77 -0.64 -4.53 117.00 115.49 1ud9 n LEU 78 Ca -0.01 -0.43 0.07 0.00 -0.03 0.00 0.00 56.01 55.61 1ud9 n LEU 78 Cb 0.61 -0.06 0.26 0.00 -2.33 0.00 0.00 43.42 41.89 1ud9 n LEU 78 CO 0.42 0.24 1.24 0.50 -1.33 0.00 0.00 177.39 178.46 1ud9 h LYS 79 N 1.90 0.94 0.00 3.23 3.64 -1.13 -1.07 116.57 124.06 1ud9 h LYS 79 Ca 0.00 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1ud9 h LYS 79 Cb 0.55 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 1ud9 h LYS 79 CO 0.00 0.62 0.00 0.00 -2.27 0.00 0.00 179.45 177.80 1ud9 n ALA 80 N -2.37 2.40 -2.55 5.00 0.00 -1.26 -4.72 120.51 117.01 1ud9 n ALA 80 Ca 0.18 -0.13 -0.43 0.00 0.00 0.00 0.00 53.44 53.06 1ud9 n ALA 80 Cb 0.34 -1.47 -0.02 0.00 0.00 0.00 0.00 19.45 18.30 1ud9 n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ud9 s ALA 81 N -2.62 3.54 0.00 0.00 0.00 -0.41 -4.82 121.76 117.46 1ud9 s ALA 81 Ca 0.26 0.44 0.00 0.00 0.00 0.00 0.00 51.96 52.65 1ud9 s ALA 81 Cb 0.19 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.79 1ud9 s ALA 81 CO 0.45 -0.86 0.00 1.63 0.00 0.00 0.00 175.76 176.97 1ud9 n LYS 82 N 5.66 3.38 -4.37 0.00 5.02 -1.26 -4.94 118.16 121.64 1ud9 n LYS 82 Ca 0.11 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.17 1ud9 n LYS 82 Cb 0.47 -0.43 -0.09 0.00 -0.02 0.00 0.00 35.03 34.95 1ud9 n LYS 82 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1ud9 s ARG 83 N -0.43 2.00 -0.09 1.97 0.52 -1.26 -5.04 118.95 116.63 1ud9 s ARG 83 Ca 0.00 -1.57 -0.29 0.00 -0.52 0.00 0.00 55.73 53.34 1ud9 s ARG 83 Cb 0.00 -1.98 -0.06 0.00 0.52 0.00 0.00 34.95 33.43 1ud9 s ARG 83 CO 0.00 0.35 1.77 0.21 0.02 0.00 0.00 175.30 177.65 1ud9 s LYS 84 N -3.57 3.98 -0.03 3.54 2.20 -1.26 -4.62 119.74 119.99 1ud9 s LYS 84 Ca 0.30 2.15 -0.15 0.00 -0.36 0.00 0.00 55.97 57.92 1ud9 s LYS 84 Cb -0.06 -4.08 0.03 0.00 -1.51 0.00 0.00 37.83 32.21 1ud9 s LYS 84 CO 0.17 -1.09 0.32 -1.21 -0.36 0.00 0.00 175.35 173.18 1ud9 s GLU 85 N 4.50 0.63 0.51 4.03 0.41 -1.25 -4.98 118.70 122.55 1ud9 s GLU 85 Ca 0.79 -0.08 -0.22 0.00 -0.41 0.00 0.00 54.97 55.05 1ud9 s GLU 85 Cb -0.34 0.28 -0.06 0.00 -1.78 0.00 0.00 34.13 32.24 1ud9 s GLU 85 CO 0.33 -0.16 1.24 -1.21 -0.49 0.00 0.00 175.26 174.96 1ud9 s GLU 86 N -1.08 3.40 -0.06 1.61 2.02 -1.21 -0.45 118.70 122.92 1ud9 s GLU 86 Ca -0.11 1.93 0.05 0.00 0.02 0.00 0.00 54.97 56.86 1ud9 s GLU 86 Cb -0.05 -2.26 -0.00 0.00 0.10 0.00 0.00 34.13 31.92 1ud9 s GLU 86 CO 0.04 -0.89 -0.21 -1.50 0.02 0.00 0.00 175.26 172.72 1ud9 s ILE 87 N -1.48 1.74 -0.10 -1.63 2.07 -0.49 -2.11 121.20 119.20 1ud9 s ILE 87 Ca 0.69 -0.87 -0.02 0.00 -1.41 0.00 0.00 60.65 59.04 1ud9 s ILE 87 Cb -0.33 -1.50 -0.03 0.00 0.13 0.00 0.00 42.46 40.74 1ud9 s ILE 87 CO 0.38 0.49 -0.03 -0.63 -1.91 0.00 0.00 174.94 173.25 1ud9 s ILE 88 N 0.09 4.03 -0.21 2.00 1.01 -0.62 -1.43 121.20 126.07 1ud9 s ILE 88 Ca -0.08 -0.34 0.01 0.00 0.00 0.00 0.00 60.65 60.24 1ud9 s ILE 88 Cb -0.14 -2.70 0.04 0.00 0.01 0.00 0.00 42.46 39.67 1ud9 s ILE 88 CO 0.04 0.57 -0.11 -0.63 0.00 0.00 0.00 174.94 174.81 1ud9 s ILE 89 N -0.52 1.76 -0.04 2.92 1.01 0.13 -0.93 121.20 125.54 1ud9 s ILE 89 Ca 0.08 -1.12 0.06 0.00 0.00 0.00 0.00 60.65 59.67 1ud9 s ILE 89 Cb -0.12 -1.83 -0.02 0.00 0.01 0.00 0.00 42.46 40.50 1ud9 s ILE 89 CO 0.02 0.15 -0.23 -1.81 0.00 0.00 0.00 174.94 173.07 1ud9 s ASP 90 N 1.34 3.25 -0.33 3.58 1.01 -0.31 -0.37 116.67 124.84 1ud9 s ASP 90 Ca -0.02 -0.43 0.02 0.00 0.71 0.00 0.00 52.55 52.83 1ud9 s ASP 90 Cb -0.17 -0.62 0.15 0.00 1.01 0.00 0.00 42.92 43.30 1ud9 s ASP 90 CO -0.08 0.30 0.37 0.00 0.21 0.00 0.00 175.17 175.97 1ud9 s ALA 91 N -0.47 -0.74 -1.03 5.23 0.00 -0.38 0.39 121.76 124.77 1ud9 s ALA 91 Ca 0.05 -0.42 0.04 0.00 0.00 0.00 0.00 51.96 51.64 1ud9 s ALA 91 Cb -0.11 -2.02 0.22 0.00 0.00 0.00 0.00 23.12 21.20 1ud9 s ALA 91 CO 0.01 -1.92 0.91 -0.40 0.00 0.00 0.00 175.76 174.36 1ud9 n ASP 92 N 4.85 2.08 -3.65 0.00 3.85 -1.26 -1.44 116.55 120.98 1ud9 n ASP 92 Ca 0.05 -2.21 -0.01 0.00 -0.71 0.00 0.00 54.79 51.90 1ud9 n ASP 92 Cb 0.47 -0.47 -0.04 0.00 -1.35 0.00 0.00 41.12 39.73 1ud9 n ASP 92 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 1ud9 s SER 93 N -0.37 -0.00 0.59 -1.12 1.04 -1.26 -4.91 113.70 107.67 1ud9 s SER 93 Ca 0.15 0.01 0.30 0.00 0.48 0.00 0.00 55.95 56.88 1ud9 s SER 93 Cb 0.11 0.00 1.83 0.00 0.10 0.00 0.00 66.02 68.06 1ud9 s SER 93 CO 0.05 -0.00 2.26 -0.65 0.98 0.00 0.00 173.24 175.88 1ud9 h PRO 94 N 2.12 0.00 -0.11 4.02 0.11 -1.97 -3.27 132.00 132.90 1ud9 h PRO 94 Ca -0.09 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.99 1ud9 h PRO 94 Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1ud9 h PRO 94 CO 0.21 0.00 -0.05 0.93 -0.21 0.00 0.00 178.00 178.88 1ud9 h GLU 95 N 0.00 0.15 -3.63 1.05 5.08 -1.96 -3.41 114.58 111.87 1ud9 h GLU 95 Ca 0.00 -0.02 -0.31 0.00 -1.00 0.00 0.00 59.36 58.03 1ud9 h GLU 95 Cb 0.01 -0.03 -0.33 0.00 0.50 0.00 0.00 28.75 28.90 1ud9 h GLU 95 CO -0.00 0.22 -0.74 0.08 -1.00 0.00 0.00 179.01 177.58 1ud9 s VAL 96 N -4.90 0.04 -0.14 3.13 1.01 -1.23 -0.36 120.40 117.94 1ud9 s VAL 96 Ca -0.05 0.14 -0.01 0.00 0.00 0.00 0.00 61.98 62.05 1ud9 s VAL 96 Cb 0.16 -0.15 -0.02 0.00 0.00 0.00 0.00 36.38 36.38 1ud9 s VAL 96 CO 0.71 0.10 -0.09 -0.69 0.00 0.00 0.00 175.10 175.12 1ud9 s VAL 97 N 0.93 3.40 -0.23 2.92 1.01 -0.25 -4.56 120.40 123.62 1ud9 s VAL 97 Ca -0.08 -0.54 -0.09 0.00 0.00 0.00 0.00 61.98 61.27 1ud9 s VAL 97 Cb -0.12 -2.45 -0.04 0.00 0.00 0.00 0.00 36.38 33.77 1ud9 s VAL 97 CO -0.02 0.52 0.12 -0.75 0.00 0.00 0.00 175.10 174.96 1ud9 s LYS 98 N 0.30 3.93 -0.20 2.72 2.20 0.16 -0.47 119.74 128.39 1ud9 s LYS 98 Ca -0.07 -0.34 -0.07 0.00 -0.36 0.00 0.00 55.97 55.12 1ud9 s LYS 98 Cb -0.15 -3.42 -0.04 0.00 -1.51 0.00 0.00 37.83 32.71 1ud9 s LYS 98 CO 0.04 0.03 0.06 -0.51 -0.36 0.00 0.00 175.35 174.61 1ud9 s LEU 99 N 1.09 3.64 -0.22 5.43 1.43 0.12 -1.16 118.68 129.01 1ud9 s LEU 99 Ca 0.06 -0.03 -0.01 0.00 -1.03 0.00 0.00 54.13 53.11 1ud9 s LEU 99 Cb -0.14 -1.93 0.02 0.00 0.03 0.00 0.00 46.19 44.16 1ud9 s LEU 99 CO 0.04 0.10 -0.10 -0.89 0.23 0.00 0.00 176.35 175.74 1ud9 s THR 100 N 0.78 2.73 -0.53 5.49 2.01 -0.10 -0.70 115.64 125.31 1ud9 s THR 100 Ca 0.03 -0.91 -0.18 0.00 0.31 0.00 0.00 61.69 60.94 1ud9 s THR 100 Cb -0.14 -2.30 0.08 0.00 0.01 0.00 0.00 72.50 70.16 1ud9 s THR 100 CO 0.02 0.33 0.58 -0.76 -0.69 0.00 0.00 174.62 174.11 1ud9 s LEU 101 N 1.34 5.40 0.81 4.42 1.43 0.88 -1.59 118.68 131.38 1ud9 s LEU 101 Ca 0.02 -1.28 -0.12 0.00 -1.03 0.00 0.00 54.13 51.73 1ud9 s LEU 101 Cb -0.15 -2.31 0.08 0.00 0.03 0.00 0.00 46.19 43.84 1ud9 s LEU 101 CO -0.07 -0.90 1.14 -0.44 0.23 0.00 0.00 176.35 176.31 1ud9 s SER 102 N 3.08 3.84 0.00 2.29 0.01 -0.90 -2.59 113.70 119.44 1ud9 s SER 102 Ca 0.10 2.11 0.00 0.00 1.31 0.00 0.00 55.95 59.46 1ud9 s SER 102 Cb -0.23 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.44 1ud9 s SER 102 CO 0.08 -2.49 0.00 0.61 0.41 0.00 0.00 173.24 171.85 1ud9 n GLY 103 N -0.22 0.90 0.43 3.44 0.00 -1.26 -4.71 105.19 103.76 1ud9 n GLY 103 Ca 0.11 -1.95 0.24 0.00 0.00 0.00 0.00 46.02 44.42 1ud9 n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ud9 h ALA 104 N 0.00 2.46 0.00 4.61 0.00 -2.03 -2.82 119.26 121.48 1ud9 h ALA 104 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ud9 h ALA 104 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1ud9 h ALA 104 CO 0.00 -0.76 -1.10 1.28 0.00 0.00 0.00 179.25 178.66 1ud9 n LEU 105 N -4.44 0.05 -3.45 0.00 4.77 -1.26 -5.05 117.00 107.62 1ud9 n LEU 105 Ca 0.21 -0.09 -0.22 0.00 -0.03 0.00 0.00 56.01 55.88 1ud9 n LEU 105 Cb 0.85 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 42.00 1ud9 n LEU 105 CO 0.33 0.01 -0.01 0.59 -1.33 0.00 0.00 177.39 176.98 1ud9 n ASN 106 N -1.61 -5.71 -4.76 -1.43 3.02 -1.07 -4.93 115.26 98.78 1ud9 n ASN 106 Ca -0.01 -0.83 -0.40 0.00 -0.03 0.00 0.00 54.58 53.31 1ud9 n ASN 106 Cb 0.15 -4.44 -0.05 0.00 -0.61 0.00 0.00 39.78 34.83 1ud9 n ASN 106 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1ud9 s ARG 107 N -5.12 4.65 -0.07 3.52 1.81 -1.07 -4.83 118.95 117.85 1ud9 s ARG 107 Ca 0.43 1.75 0.05 0.00 -1.72 0.00 0.00 55.73 56.24 1ud9 s ARG 107 Cb -0.10 -3.18 -0.00 0.00 -0.45 0.00 0.00 34.95 31.22 1ud9 s ARG 107 CO 0.79 0.24 -0.23 0.08 -0.68 0.00 0.00 175.30 175.50 1ud9 s VAL 108 N -1.18 1.94 -0.13 3.52 1.01 -1.26 -0.08 120.40 124.22 1ud9 s VAL 108 Ca 0.44 -0.98 -0.01 0.00 0.00 0.00 0.00 61.98 61.43 1ud9 s VAL 108 Cb -0.31 -1.66 0.03 0.00 0.00 0.00 0.00 36.38 34.44 1ud9 s VAL 108 CO 0.39 0.54 -0.05 -0.36 0.00 0.00 0.00 175.10 175.63 1ud9 s PHE 109 N 0.09 1.36 -0.22 5.22 0.40 0.12 -4.98 117.98 119.97 1ud9 s PHE 109 Ca -0.10 -0.74 -0.21 0.00 -0.60 0.00 0.00 56.93 55.27 1ud9 s PHE 109 Cb -0.15 -1.16 -0.02 0.00 0.51 0.00 0.00 43.02 42.20 1ud9 s PHE 109 CO 0.06 -0.52 0.66 -0.80 0.70 0.00 0.00 175.22 175.32 1ud9 s ASN 110 N 1.75 6.69 -0.19 1.36 0.01 -1.26 0.12 114.94 123.41 1ud9 s ASN 110 Ca 0.03 0.84 0.00 0.00 -0.71 0.00 0.00 52.86 53.03 1ud9 s ASN 110 Cb -0.14 -2.36 0.02 0.00 0.41 0.00 0.00 41.25 39.18 1ud9 s ASN 110 CO -0.07 -0.33 -0.17 -0.69 -1.51 0.00 0.00 177.10 174.32 1ud9 s VAL 111 N 2.18 2.25 0.06 1.60 1.01 0.38 -4.97 120.40 122.91 1ud9 s VAL 111 Ca 0.29 -0.91 -0.30 0.00 0.00 0.00 0.00 61.98 61.06 1ud9 s VAL 111 Cb -0.16 -1.98 -0.05 0.00 0.00 0.00 0.00 36.38 34.20 1ud9 s VAL 111 CO 0.10 0.50 1.10 0.20 0.00 0.00 0.00 175.10 176.99 1ud9 s ASN 112 N 1.31 7.22 0.38 3.32 0.01 -1.26 -1.10 114.94 124.82 1ud9 s ASN 112 Ca 0.04 1.89 -0.27 0.00 -0.71 0.00 0.00 52.86 53.82 1ud9 s ASN 112 Cb -0.14 -2.58 -0.11 0.00 0.41 0.00 0.00 41.25 38.84 1ud9 s ASN 112 CO -0.11 -0.35 1.30 -3.20 -1.51 0.00 0.00 177.10 173.22 1ud9 n ASN 113 N 3.69 2.76 -4.26 -1.22 2.85 0.51 -4.95 115.26 114.64 1ud9 n ASN 113 Ca 0.07 1.16 -0.23 0.00 -0.11 0.00 0.00 54.58 55.47 1ud9 n ASN 113 Cb 0.48 -1.50 -0.12 0.00 1.24 0.00 0.00 39.78 39.87 1ud9 n ASN 113 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 1ud9 s ILE 114 N -1.15 1.58 -0.14 -1.44 -4.36 -0.94 -4.98 121.20 109.77 1ud9 s ILE 114 Ca 0.58 -1.48 -0.29 0.00 -0.26 0.00 0.00 60.65 59.19 1ud9 s ILE 114 Cb -0.53 -1.45 -0.03 0.00 1.25 0.00 0.00 42.46 41.70 1ud9 s ILE 114 CO 0.60 -0.09 1.42 -1.61 0.24 0.00 0.00 174.94 175.51 1ud9 s GLU 115 N -1.85 4.16 -0.09 0.37 0.41 -1.26 -3.54 118.70 116.89 1ud9 s GLU 115 Ca 0.05 1.80 0.00 0.00 -0.41 0.00 0.00 54.97 56.41 1ud9 s GLU 115 Cb -0.10 -3.87 0.02 0.00 -1.78 0.00 0.00 34.13 28.40 1ud9 s GLU 115 CO 0.04 -0.83 -0.09 0.08 -0.49 0.00 0.00 175.26 173.97 1ud9 s VAL 116 N 3.88 1.00 0.00 2.63 1.01 -1.26 -5.00 120.40 122.67 1ud9 s VAL 116 Ca 0.62 -0.32 -0.30 0.00 0.00 0.00 0.00 61.98 61.98 1ud9 s VAL 116 Cb -0.25 -0.99 -0.03 0.00 0.00 0.00 0.00 36.38 35.10 1ud9 s VAL 116 CO 0.21 0.35 0.97 -0.76 0.00 0.00 0.00 175.10 175.88 1ud9 s LEU 117 N 1.34 4.38 0.41 3.92 1.43 -1.26 -4.91 118.68 123.98 1ud9 s LEU 117 Ca -0.02 1.66 -0.23 0.00 -1.03 0.00 0.00 54.13 54.50 1ud9 s LEU 117 Cb -0.14 -3.56 -0.09 0.00 0.03 0.00 0.00 46.19 42.43 1ud9 s LEU 117 CO -0.04 -0.25 1.05 -2.84 0.23 0.00 0.00 176.35 174.50 1ud9 s PRO 118 N 0.95 4.11 0.00 1.29 0.02 -1.26 -4.97 135.00 135.15 1ud9 s PRO 118 Ca 0.51 1.50 0.00 0.00 0.02 0.00 0.00 61.00 63.03 1ud9 s PRO 118 Cb -0.21 -2.48 0.00 0.00 0.02 0.00 0.00 34.50 31.83 1ud9 s PRO 118 CO 0.28 -0.18 0.00 -2.30 -0.33 0.00 0.00 177.00 174.46 1ud9 n PRO 119 N -0.19 0.00 0.00 5.54 -0.02 -1.26 -5.19 135.00 133.87 1ud9 n PRO 119 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 1ud9 n PRO 119 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.98 1ud9 n PRO 119 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1ud9 n VAL 124 N 0.00 0.00 -2.03 -1.45 0.31 -1.26 -5.09 118.33 108.81 1ud9 n VAL 124 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.91 1ud9 n VAL 124 Cb 0.00 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.90 1ud9 n VAL 124 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 1ud9 s ASN 125 N 0.00 6.68 -0.20 4.52 3.84 -1.26 -4.92 114.94 123.61 1ud9 s ASN 125 Ca 0.00 2.50 0.15 0.00 0.21 0.00 0.00 52.86 55.72 1ud9 s ASN 125 Cb 0.00 -2.59 0.50 0.00 -0.55 0.00 0.00 41.25 38.61 1ud9 s ASN 125 CO 0.00 -0.75 1.40 0.18 -2.79 0.00 0.00 177.10 175.14 1ud9 n LEU 126 N 3.93 3.77 -4.77 3.21 4.77 -1.26 -5.00 117.00 121.65 1ud9 n LEU 126 Ca 0.13 -3.17 -0.40 0.00 -0.03 0.00 0.00 56.01 52.54 1ud9 n LEU 126 Cb 0.40 -0.55 0.01 0.00 -2.33 0.00 0.00 43.42 40.94 1ud9 n LEU 126 CO 0.60 0.79 1.00 -0.70 -1.33 0.00 0.00 177.39 177.75 1ud9 s GLU 127 N -2.92 3.83 0.11 3.23 2.12 -1.26 -5.03 118.70 118.79 1ud9 s GLU 127 Ca 0.42 2.26 0.00 0.00 0.36 0.00 0.00 54.97 58.00 1ud9 s GLU 127 Cb 0.35 -2.70 -0.04 0.00 0.26 0.00 0.00 34.13 32.00 1ud9 s GLU 127 CO 0.06 -0.64 0.00 -0.59 -0.54 0.00 0.00 175.26 173.55 1ud9 s PHE 128 N -1.24 0.85 -0.10 5.30 -0.12 -1.26 -4.82 117.98 116.59 1ud9 s PHE 128 Ca 0.59 -1.09 0.08 0.00 -0.05 0.00 0.00 56.93 56.45 1ud9 s PHE 128 Cb -0.40 -0.51 -0.24 0.00 -0.63 0.00 0.00 43.02 41.24 1ud9 s PHE 128 CO 0.52 -0.36 0.44 -0.25 -0.05 0.00 0.00 175.22 175.52 1ud9 n ASP 129 N -0.06 1.15 -3.83 1.98 8.00 0.12 -4.80 116.55 119.11 1ud9 n ASP 129 Ca -0.09 0.26 -0.13 0.00 0.71 0.00 0.00 54.79 55.55 1ud9 n ASP 129 Cb 0.62 -0.14 -0.14 0.00 -0.02 0.00 0.00 41.12 41.44 1ud9 n ASP 129 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1ud9 s ILE 130 N -2.57 -0.01 -0.17 0.53 -1.09 -0.87 -0.53 121.20 116.49 1ud9 s ILE 130 Ca -0.12 0.05 -0.04 0.00 -2.23 0.00 0.00 60.65 58.31 1ud9 s ILE 130 Cb 0.07 -0.12 0.06 0.00 -1.58 0.00 0.00 42.46 40.89 1ud9 s ILE 130 CO 0.80 0.02 0.06 -0.75 -1.23 0.00 0.00 174.94 173.84 1ud9 s LYS 131 N 0.30 0.32 -0.08 2.79 2.20 -0.52 -1.97 119.74 122.78 1ud9 s LYS 131 Ca -0.02 -0.18 0.02 0.00 -0.36 0.00 0.00 55.97 55.43 1ud9 s LYS 131 Cb -0.03 -1.81 -0.02 0.00 -1.51 0.00 0.00 37.83 34.45 1ud9 s LYS 131 CO -0.01 -0.62 -0.11 0.00 -0.36 0.00 0.00 175.35 174.25 1ud9 s ALA 132 N 2.02 2.77 -0.42 3.13 0.00 0.11 -0.29 121.76 129.08 1ud9 s ALA 132 Ca 0.01 -0.93 -0.14 0.00 0.00 0.00 0.00 51.96 50.90 1ud9 s ALA 132 Cb -0.16 -1.13 0.04 0.00 0.00 0.00 0.00 23.12 21.87 1ud9 s ALA 132 CO -0.08 0.48 0.31 0.99 0.00 0.00 0.00 175.76 177.46 1ud9 s THR 133 N -0.47 5.12 0.15 0.00 2.01 0.77 -0.39 115.64 122.83 1ud9 s THR 133 Ca 0.06 -0.83 0.10 0.00 0.31 0.00 0.00 61.69 61.34 1ud9 s THR 133 Cb -0.12 -3.92 -0.04 0.00 0.01 0.00 0.00 72.50 68.43 1ud9 s THR 133 CO 0.02 -0.38 -0.21 -0.63 -0.69 0.00 0.00 174.62 172.72 1ud9 s ILE 134 N 1.64 2.57 0.15 1.82 1.01 -0.32 -0.72 121.20 127.35 1ud9 s ILE 134 Ca 0.04 -1.76 -0.31 0.00 0.00 0.00 0.00 60.65 58.62 1ud9 s ILE 134 Cb -0.21 -2.20 -0.11 0.00 0.01 0.00 0.00 42.46 39.96 1ud9 s ILE 134 CO 0.08 0.00 1.81 0.21 0.00 0.00 0.00 174.94 177.05 1ud9 s ASN 135 N -2.37 6.40 0.14 3.58 3.84 -0.19 -1.22 114.94 125.11 1ud9 s ASN 135 Ca 0.19 2.81 -0.14 0.00 0.21 0.00 0.00 52.86 55.93 1ud9 s ASN 135 Cb -0.09 -2.58 0.00 0.00 -0.55 0.00 0.00 41.25 38.03 1ud9 s ASN 135 CO 0.09 -1.01 1.62 0.00 -2.79 0.00 0.00 177.10 175.02 1ud9 h ALA 136 N 8.12 0.59 -0.09 1.71 0.00 -1.22 -1.16 119.26 127.21 1ud9 h ALA 136 Ca -0.45 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.16 1ud9 h ALA 136 Cb 1.21 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1ud9 h ALA 136 CO 0.95 0.31 -0.28 0.66 0.00 0.00 0.00 179.25 180.89 1ud9 h SER 137 N 0.59 0.16 -0.59 0.00 4.64 -1.84 -0.67 113.55 115.84 1ud9 h SER 137 Ca 0.13 -0.05 -0.07 0.00 -0.47 0.00 0.00 61.79 61.34 1ud9 h SER 137 Cb 0.38 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.41 1ud9 h SER 137 CO 0.01 0.44 0.10 1.23 -0.87 0.00 0.00 176.83 177.74 1ud9 h GLY 138 N 0.97 1.05 1.05 -0.77 0.00 -1.74 -1.04 103.07 102.59 1ud9 h GLY 138 Ca 0.02 -0.70 -0.10 0.00 0.00 0.00 0.00 47.33 46.55 1ud9 h GLY 138 CO 0.04 0.65 -0.11 -2.00 0.00 0.00 0.00 176.54 175.12 1ud9 h LEU 139 N 0.87 0.92 -0.59 3.11 5.85 -0.66 -0.76 115.31 124.05 1ud9 h LEU 139 Ca 0.18 -0.36 0.07 0.00 0.84 0.00 0.00 57.88 58.61 1ud9 h LEU 139 Cb 0.42 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 41.14 1ud9 h LEU 139 CO 0.01 1.07 0.27 0.50 -0.34 0.00 0.00 178.44 179.95 1ud9 h LYS 140 N 0.77 0.48 -0.23 1.25 3.64 -0.92 0.27 116.57 121.82 1ud9 h LYS 140 Ca 0.12 -0.03 -0.15 0.00 -1.27 0.00 0.00 60.65 59.32 1ud9 h LYS 140 Cb 0.66 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 1ud9 h LYS 140 CO 0.05 0.32 -0.49 -0.91 -2.27 0.00 0.00 179.45 176.14 1ud9 h ASN 141 N 0.49 0.68 -0.30 4.20 2.35 -0.96 -1.66 115.58 120.37 1ud9 h ASN 141 Ca 0.28 -0.34 -0.07 0.00 -0.55 0.00 0.00 56.30 55.62 1ud9 h ASN 141 Cb 0.27 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 1ud9 h ASN 141 CO -0.24 1.06 -0.09 0.00 -1.65 0.00 0.00 177.43 176.50 1ud9 h ALA 142 N 0.96 0.42 -0.79 -0.83 0.00 -0.59 -1.55 119.26 116.88 1ud9 h ALA 142 Ca 0.02 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 54.65 1ud9 h ALA 142 Cb 1.04 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 1ud9 h ALA 142 CO 0.10 0.27 0.52 0.82 0.00 0.00 0.00 179.25 180.95 1ud9 h ILE 143 N 0.37 1.18 -0.58 0.00 2.04 -0.85 -0.42 117.51 119.25 1ud9 h ILE 143 Ca 0.07 -0.36 -0.06 0.00 1.00 0.00 0.00 64.86 65.52 1ud9 h ILE 143 Cb 0.59 0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.69 1ud9 h ILE 143 CO 0.03 0.19 0.13 1.23 0.00 0.00 0.00 178.15 179.73 1ud9 h GLY 144 N 1.04 1.02 1.17 5.37 0.00 -1.10 -0.83 103.07 109.73 1ud9 h GLY 144 Ca 0.30 -0.65 -0.07 0.00 0.00 0.00 0.00 47.33 46.90 1ud9 h GLY 144 CO -0.08 0.61 0.10 0.83 0.00 0.00 0.00 176.54 177.99 1ud9 h GLU 145 N 0.85 1.02 -0.37 4.80 5.08 -0.99 -2.64 114.58 122.33 1ud9 h GLU 145 Ca 0.18 -0.26 -0.12 0.00 -1.00 0.00 0.00 59.36 58.16 1ud9 h GLU 145 Cb 0.37 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1ud9 h GLU 145 CO 0.01 0.94 -0.25 0.82 -1.00 0.00 0.00 179.01 179.53 1ud9 h ILE 146 N 0.96 1.28 0.00 3.13 2.04 -0.82 -3.12 117.51 120.98 1ud9 h ILE 146 Ca 0.19 -1.40 -0.00 0.00 1.00 0.00 0.00 64.86 64.65 1ud9 h ILE 146 Cb 0.42 1.37 -0.00 0.00 -0.74 0.00 0.00 36.82 37.88 1ud9 h ILE 146 CO 0.01 0.46 -0.01 0.00 0.00 0.00 0.00 178.15 178.62 1ud9 h ALA 147 N 0.78 1.05 -0.05 1.87 0.00 -0.81 0.14 119.26 122.23 1ud9 h ALA 147 Ca 0.07 -0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.79 1ud9 h ALA 147 Cb 0.81 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1ud9 h ALA 147 CO 0.07 0.01 -0.77 0.93 0.00 0.00 0.00 179.25 179.49 1ud9 h GLU 148 N 0.00 0.34 -0.01 0.00 5.08 -1.42 -3.35 114.58 115.23 1ud9 h GLU 148 Ca -0.00 -0.30 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 1ud9 h GLU 148 Cb 0.09 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1ud9 h GLU 148 CO 0.00 0.96 -0.16 1.33 -1.00 0.00 0.00 179.01 180.14 1ud9 n VAL 149 N -3.80 0.00 -3.82 3.13 0.24 -0.74 -5.04 118.33 108.31 1ud9 n VAL 149 Ca -0.04 -0.42 -0.10 0.00 -2.04 0.00 0.00 64.34 61.74 1ud9 n VAL 149 Cb 0.73 1.15 -0.05 0.00 -1.47 0.00 0.00 33.84 34.20 1ud9 n VAL 149 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ud9 s ALA 150 N -1.28 -0.54 -1.09 2.33 0.00 -0.04 -4.97 121.76 116.17 1ud9 s ALA 150 Ca 0.10 -0.48 0.17 0.00 0.00 0.00 0.00 51.96 51.75 1ud9 s ALA 150 Cb 0.09 0.82 -0.11 0.00 0.00 0.00 0.00 23.12 23.91 1ud9 s ALA 150 CO 0.23 -0.71 0.77 -0.40 0.00 0.00 0.00 175.76 175.66 1ud9 n ASP 151 N -0.26 1.14 -4.03 0.00 5.68 -1.26 -4.37 116.55 113.44 1ud9 n ASP 151 Ca -0.10 -1.07 -0.23 0.00 -0.50 0.00 0.00 54.79 52.89 1ud9 n ASP 151 Cb 0.63 0.79 -0.16 0.00 -1.14 0.00 0.00 41.12 41.24 1ud9 n ASP 151 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1ud9 s THR 152 N -2.33 1.05 -0.22 2.12 2.01 -1.26 -2.13 115.64 114.88 1ud9 s THR 152 Ca 0.09 -0.47 -0.12 0.00 0.31 0.00 0.00 61.69 61.50 1ud9 s THR 152 Cb 0.13 -0.94 -0.05 0.00 0.01 0.00 0.00 72.50 71.65 1ud9 s THR 152 CO 0.58 0.33 0.23 -0.22 -0.69 0.00 0.00 174.62 174.85 1ud9 s LEU 153 N 0.41 4.15 -0.14 4.42 0.20 0.43 -1.18 118.68 126.97 1ud9 s LEU 153 Ca -0.09 0.27 -0.05 0.00 0.69 0.00 0.00 54.13 54.95 1ud9 s LEU 153 Cb -0.13 -2.24 -0.04 0.00 -0.43 0.00 0.00 46.19 43.36 1ud9 s LEU 153 CO 0.02 0.04 0.04 -0.76 -0.29 0.00 0.00 176.35 175.41 1ud9 s LEU 154 N 1.00 3.77 -0.00 -0.68 1.43 0.75 -1.48 118.68 123.46 1ud9 s LEU 154 Ca 0.11 0.14 0.03 0.00 -1.03 0.00 0.00 54.13 53.39 1ud9 s LEU 154 Cb -0.13 -1.92 -0.01 0.00 0.03 0.00 0.00 46.19 44.16 1ud9 s LEU 154 CO 0.05 0.28 -0.10 -0.51 0.23 0.00 0.00 176.35 176.29 1ud9 s ILE 155 N -0.27 0.80 0.05 -0.59 2.07 -0.46 -1.31 121.20 121.49 1ud9 s ILE 155 Ca 0.08 -0.47 -0.00 0.00 -1.41 0.00 0.00 60.65 58.84 1ud9 s ILE 155 Cb -0.12 -0.67 -0.03 0.00 0.13 0.00 0.00 42.46 41.76 1ud9 s ILE 155 CO 0.02 0.19 -0.04 -0.94 -1.91 0.00 0.00 174.94 172.26 1ud9 s SER 156 N -0.32 0.56 -0.05 4.50 1.04 -0.27 -0.60 113.70 118.56 1ud9 s SER 156 Ca 0.03 -0.82 -0.23 0.00 0.48 0.00 0.00 55.95 55.41 1ud9 s SER 156 Cb -0.04 0.14 0.05 0.00 0.10 0.00 0.00 66.02 66.27 1ud9 s SER 156 CO -0.00 -0.46 0.51 -0.83 0.98 0.00 0.00 173.24 173.43 1ud9 s GLY 157 N -2.42 -0.38 0.00 7.32 0.00 -0.53 -0.90 107.32 110.42 1ud9 s GLY 157 Ca -0.00 0.91 0.00 0.00 0.00 0.00 0.00 44.72 45.63 1ud9 s GLY 157 CO -0.06 0.63 0.00 1.16 0.00 0.00 0.00 173.10 174.84 1ud9 n ASN 158 N 1.27 0.41 0.06 1.64 0.23 -0.25 -2.13 115.26 116.49 1ud9 n ASN 158 Ca -0.20 0.00 0.11 0.00 -0.53 0.00 0.00 54.58 53.97 1ud9 n ASN 158 Cb 0.56 0.00 0.45 0.00 -2.08 0.00 0.00 39.78 38.71 1ud9 n ASN 158 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 1ud9 n GLU 159 N 0.00 0.11 -0.00 -3.83 0.00 -1.26 -3.89 120.64 111.76 1ud9 n GLU 159 Ca 0.00 0.24 0.01 0.00 0.00 0.00 0.00 57.16 57.41 1ud9 n GLU 159 Cb 0.00 -1.67 -0.03 0.00 0.00 0.00 0.00 31.44 29.74 1ud9 n GLU 159 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1ud9 n GLU 160 N -1.87 0.31 -3.87 3.44 1.02 -1.26 -4.93 120.64 113.47 1ud9 n GLU 160 Ca 0.04 -0.03 -0.09 0.00 -0.02 0.00 0.00 57.16 57.06 1ud9 n GLU 160 Cb 0.28 -1.08 -0.05 0.00 -0.02 0.00 0.00 31.44 30.57 1ud9 n GLU 160 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 1ud9 s LYS 161 N -2.22 1.40 -0.05 3.49 -2.85 -1.25 -4.39 119.74 113.87 1ud9 s LYS 161 Ca -0.01 -1.06 0.03 0.00 -1.00 0.00 0.00 55.97 53.93 1ud9 s LYS 161 Cb 0.02 0.48 0.01 0.00 -2.06 0.00 0.00 37.83 36.27 1ud9 s LYS 161 CO 0.14 -0.58 -0.13 0.08 0.10 0.00 0.00 175.35 174.96 1ud9 s VAL 162 N -3.94 1.13 -0.07 1.79 1.01 -0.55 -1.09 120.40 118.68 1ud9 s VAL 162 Ca 0.15 -0.52 0.04 0.00 0.00 0.00 0.00 61.98 61.65 1ud9 s VAL 162 Cb -0.00 -1.01 0.00 0.00 0.00 0.00 0.00 36.38 35.37 1ud9 s VAL 162 CO 0.02 0.34 -0.19 -0.69 0.00 0.00 0.00 175.10 174.59 1ud9 s VAL 163 N 0.35 1.60 0.04 2.92 1.01 -0.08 0.17 120.40 126.42 1ud9 s VAL 163 Ca -0.08 -0.78 0.09 0.00 0.00 0.00 0.00 61.98 61.21 1ud9 s VAL 163 Cb -0.13 -1.39 -0.03 0.00 0.00 0.00 0.00 36.38 34.83 1ud9 s VAL 163 CO 0.02 0.46 -0.26 0.68 0.00 0.00 0.00 175.10 176.00 1ud9 s VAL 164 N 0.29 2.15 0.28 2.92 -7.23 -0.27 -1.11 120.40 117.43 1ud9 s VAL 164 Ca -0.12 -1.39 -0.17 0.00 -1.81 0.00 0.00 61.98 58.50 1ud9 s VAL 164 Cb -0.15 -1.83 0.01 0.00 0.56 0.00 0.00 36.38 34.97 1ud9 s VAL 164 CO 0.05 0.37 0.63 -1.59 -0.31 0.00 0.00 175.10 174.25 1ud9 s LYS 165 N -1.23 1.76 0.04 4.82 -2.85 -0.42 -0.88 119.74 120.97 1ud9 s LYS 165 Ca 0.12 -1.17 -0.03 0.00 -1.00 0.00 0.00 55.97 53.88 1ud9 s LYS 165 Cb -0.10 0.55 -0.04 0.00 -2.06 0.00 0.00 37.83 36.18 1ud9 s LYS 165 CO 0.02 -0.78 0.25 0.20 0.10 0.00 0.00 175.35 175.14 1ud9 s GLY 166 N -2.99 2.21 0.37 0.59 0.00 -1.23 -0.18 107.32 106.09 1ud9 s GLY 166 Ca 0.17 -0.70 -0.26 0.00 0.00 0.00 0.00 44.72 43.93 1ud9 s GLY 166 CO 0.09 -0.60 1.09 1.85 0.00 0.00 0.00 173.10 175.53 1ud9 s GLU 167 N -2.19 4.26 0.00 2.90 2.12 -0.32 -4.85 118.70 120.62 1ud9 s GLU 167 Ca 0.32 1.67 0.00 0.00 0.36 0.00 0.00 54.97 57.32 1ud9 s GLU 167 Cb -0.13 -2.75 0.00 0.00 0.26 0.00 0.00 34.13 31.51 1ud9 s GLU 167 CO 0.22 -0.09 0.00 0.41 -0.54 0.00 0.00 175.26 175.26 1ud9 n GLY 168 N 0.64 -0.44 3.44 -1.50 0.00 -1.26 -4.72 105.19 101.36 1ud9 n GLY 168 Ca 0.03 -2.20 -0.44 0.00 0.00 0.00 0.00 46.02 43.41 1ud9 n GLY 168 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ud9 s GLU 169 N 0.00 3.09 0.21 1.61 2.56 -1.26 -4.98 118.70 119.94 1ud9 s GLU 169 Ca 0.00 -0.94 -0.22 0.00 0.00 0.00 0.00 54.97 53.81 1ud9 s GLU 169 Cb 0.00 -4.08 0.07 0.00 2.00 0.00 0.00 34.13 32.12 1ud9 s GLU 169 CO 0.00 -1.11 0.96 0.54 -0.56 0.00 0.00 175.26 175.09 1ud9 s ASN 170 N 2.50 -0.06 0.00 -1.70 2.20 -1.26 -5.05 114.94 111.58 1ud9 s ASN 170 Ca 0.13 -0.67 0.04 0.00 -0.94 0.00 0.00 52.86 51.41 1ud9 s ASN 170 Cb -0.20 0.56 0.09 0.00 -2.00 0.00 0.00 41.25 39.71 1ud9 s ASN 170 CO 0.11 -1.10 1.01 0.29 -2.94 0.00 0.00 177.10 174.48 1ud9 n LYS 171 N -0.59 2.43 -2.53 3.55 5.02 -1.26 -4.96 118.16 119.81 1ud9 n LYS 171 Ca -0.05 -1.53 -0.42 0.00 -2.02 0.00 0.00 58.31 54.29 1ud9 n LYS 171 Cb 0.60 -1.09 -0.03 0.00 -0.02 0.00 0.00 35.03 34.50 1ud9 n LYS 171 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1ud9 s VAL 172 N -0.89 3.92 -0.01 -0.18 -7.23 -1.26 -4.96 120.40 109.80 1ud9 s VAL 172 Ca 0.07 0.79 0.01 0.00 -1.81 0.00 0.00 61.98 61.03 1ud9 s VAL 172 Cb 0.04 -4.69 0.00 0.00 0.56 0.00 0.00 36.38 32.29 1ud9 s VAL 172 CO 0.05 -1.37 -0.02 -0.70 -0.31 0.00 0.00 175.10 172.75 1ud9 s GLU 173 N 5.19 0.20 -0.05 4.82 2.12 -1.26 -3.51 118.70 126.21 1ud9 s GLU 173 Ca 0.44 -0.06 0.01 0.00 0.36 0.00 0.00 54.97 55.72 1ud9 s GLU 173 Cb -0.08 -0.22 0.02 0.00 0.26 0.00 0.00 34.13 34.11 1ud9 s GLU 173 CO 0.24 0.03 -0.05 0.08 -0.54 0.00 0.00 175.26 175.02 1ud9 s VAL 174 N 0.08 0.60 -0.16 3.70 1.01 -0.06 -5.00 120.40 120.57 1ud9 s VAL 174 Ca -0.00 -0.15 -0.05 0.00 0.00 0.00 0.00 61.98 61.78 1ud9 s VAL 174 Cb -0.03 -0.63 -0.03 0.00 0.00 0.00 0.00 36.38 35.70 1ud9 s VAL 174 CO -0.00 0.25 -0.01 -0.70 0.00 0.00 0.00 175.10 174.64 1ud9 s GLU 175 N 1.01 3.76 -0.35 2.72 2.12 -1.26 -1.12 118.70 125.59 1ud9 s GLU 175 Ca -0.09 -0.47 -0.09 0.00 0.36 0.00 0.00 54.97 54.68 1ud9 s GLU 175 Cb -0.14 -3.01 0.03 0.00 0.26 0.00 0.00 34.13 31.27 1ud9 s GLU 175 CO -0.00 0.25 0.15 -0.06 -0.54 0.00 0.00 175.26 175.05 1ud9 s PHE 176 N 0.38 3.24 0.22 5.30 0.40 0.13 -4.80 117.98 122.84 1ud9 s PHE 176 Ca -0.02 -1.16 -0.15 0.00 -0.60 0.00 0.00 56.93 55.00 1ud9 s PHE 176 Cb -0.14 -2.35 0.01 0.00 0.51 0.00 0.00 43.02 41.05 1ud9 s PHE 176 CO 0.02 -0.68 0.48 -1.54 0.70 0.00 0.00 175.22 174.21 1ud9 s SER 177 N 1.48 -0.15 0.20 1.36 1.04 -1.26 -1.48 113.70 114.89 1ud9 s SER 177 Ca 0.00 -0.72 -0.10 0.00 0.48 0.00 0.00 55.95 55.61 1ud9 s SER 177 Cb -0.19 0.57 0.12 0.00 0.10 0.00 0.00 66.02 66.62 1ud9 s SER 177 CO 0.05 -1.09 1.78 0.11 0.98 0.00 0.00 173.24 175.07 1ud9 h LYS 178 N 2.26 1.03 -0.78 4.02 1.57 -1.77 0.33 116.57 123.24 1ud9 h LYS 178 Ca -0.27 -0.16 0.15 0.00 -1.87 0.00 0.00 60.65 58.50 1ud9 h LYS 178 Cb 1.25 -0.18 -0.05 0.00 0.08 0.00 0.00 32.23 33.33 1ud9 h LYS 178 CO 0.37 0.81 0.52 -0.44 -0.57 0.00 0.00 179.45 180.14 1ud9 h ASP 179 N 0.99 0.40 0.40 0.86 3.32 -1.94 0.16 116.42 120.61 1ud9 h ASP 179 Ca 0.24 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.32 1ud9 h ASP 179 Cb 0.13 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1ud9 h ASP 179 CO -0.03 0.20 -0.39 0.35 -1.72 0.00 0.00 179.24 177.66 1ud9 n THR 180 N -4.48 0.00 -1.13 0.35 -2.24 -0.48 -4.97 114.28 101.33 1ud9 n THR 180 Ca 0.15 -0.05 -0.04 0.00 -2.27 0.00 0.00 64.05 61.83 1ud9 n THR 180 Cb 0.55 0.29 -0.02 0.00 -2.10 0.00 0.00 70.33 69.04 1ud9 n THR 180 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ud9 n GLY 181 N 1.43 0.69 0.13 3.38 0.00 0.55 -4.88 105.19 106.49 1ud9 n GLY 181 Ca 0.08 -0.42 0.01 0.00 0.00 0.00 0.00 46.02 45.70 1ud9 n GLY 181 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ud9 n SER 182 N 0.33 1.69 -4.26 1.61 3.41 -1.17 -4.95 113.62 110.27 1ud9 n SER 182 Ca -0.04 -1.52 -0.35 0.00 -0.26 0.00 0.00 58.87 56.69 1ud9 n SER 182 Cb 0.21 -0.03 -0.14 0.00 -0.26 0.00 0.00 64.21 64.00 1ud9 n SER 182 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1ud9 s LEU 183 N -0.58 3.26 -0.00 1.04 2.96 -1.23 -1.03 118.68 123.09 1ud9 s LEU 183 Ca 0.04 -0.70 0.15 0.00 -0.22 0.00 0.00 54.13 53.40 1ud9 s LEU 183 Cb 0.03 -1.74 -0.19 0.00 0.50 0.00 0.00 46.19 44.79 1ud9 s LEU 183 CO 0.04 -0.11 0.71 0.00 -1.32 0.00 0.00 176.35 175.66 1ud9 n ALA 184 N 4.75 1.69 -3.53 5.97 0.00 0.10 -4.29 120.51 125.20 1ud9 n ALA 184 Ca -0.16 -0.69 -0.10 0.00 0.00 0.00 0.00 53.44 52.48 1ud9 n ALA 184 Cb 0.48 -0.87 -0.04 0.00 0.00 0.00 0.00 19.45 19.02 1ud9 n ALA 184 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1ud9 s ASP 185 N -5.93 -0.40 -0.08 0.00 -1.08 -1.16 -4.98 116.67 103.03 1ud9 s ASP 185 Ca -0.04 0.22 -0.05 0.00 -0.52 0.00 0.00 52.55 52.16 1ud9 s ASP 185 Cb 0.08 0.38 0.04 0.00 -1.46 0.00 0.00 42.92 41.96 1ud9 s ASP 185 CO 0.82 -0.53 0.20 -0.51 0.52 0.00 0.00 175.17 175.67 1ud9 s ILE 186 N -2.22 -0.04 -0.32 4.11 2.07 -1.26 -0.16 121.20 123.37 1ud9 s ILE 186 Ca 0.01 0.13 -0.09 0.00 -1.41 0.00 0.00 60.65 59.29 1ud9 s ILE 186 Cb -0.01 -0.31 0.01 0.00 0.13 0.00 0.00 42.46 42.28 1ud9 s ILE 186 CO -0.03 0.05 0.14 -1.61 -1.91 0.00 0.00 174.94 171.58 1ud9 s GLU 187 N 1.02 3.10 -0.22 3.50 2.02 0.60 -4.99 118.70 123.73 1ud9 s GLU 187 Ca -0.08 -0.87 -0.09 0.00 0.02 0.00 0.00 54.97 53.95 1ud9 s GLU 187 Cb -0.09 -3.54 -0.05 0.00 0.10 0.00 0.00 34.13 30.55 1ud9 s GLU 187 CO -0.06 -0.51 0.12 0.12 0.02 0.00 0.00 175.26 174.95 1ud9 s PHE 188 N 1.55 3.29 -0.08 1.61 5.36 -1.26 -1.44 117.98 127.02 1ud9 s PHE 188 Ca 0.03 0.14 -0.04 0.00 -0.96 0.00 0.00 56.93 56.09 1ud9 s PHE 188 Cb -0.18 -2.19 -0.03 0.00 -0.34 0.00 0.00 43.02 40.28 1ud9 s PHE 188 CO 0.05 0.09 -0.11 0.09 -1.46 0.00 0.00 175.22 173.88 1ud9 n ASN 189 N 3.99 0.69 -3.68 6.13 3.02 0.31 -5.04 115.26 120.67 1ud9 n ASN 189 Ca -0.16 0.11 -0.15 0.00 -0.03 0.00 0.00 54.58 54.36 1ud9 n ASN 189 Cb 0.52 -0.28 -0.08 0.00 -0.61 0.00 0.00 39.78 39.34 1ud9 n ASN 189 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1ud9 s LYS 190 N -2.17 0.79 0.40 3.52 1.02 -0.79 -5.06 119.74 117.45 1ud9 s LYS 190 Ca -0.12 -0.05 -0.26 0.00 0.02 0.00 0.00 55.97 55.56 1ud9 s LYS 190 Cb 0.04 0.36 -0.09 0.00 -0.52 0.00 0.00 37.83 37.62 1ud9 s LYS 190 CO 0.15 -0.23 1.31 -2.00 -0.92 0.00 0.00 175.35 173.66 1ud9 s GLU 191 N -1.29 4.00 0.01 1.68 2.12 -1.26 -4.39 118.70 119.56 1ud9 s GLU 191 Ca -0.13 2.18 -0.15 0.00 0.36 0.00 0.00 54.97 57.23 1ud9 s GLU 191 Cb -0.04 -2.79 0.02 0.00 0.26 0.00 0.00 34.13 31.59 1ud9 s GLU 191 CO 0.06 -0.47 0.33 0.45 -0.54 0.00 0.00 175.26 175.09 1ud9 s SER 192 N -0.70 -0.19 -0.07 -1.70 0.15 -0.90 -4.92 113.70 105.37 1ud9 s SER 192 Ca 0.56 0.01 -0.04 0.00 0.70 0.00 0.00 55.95 57.18 1ud9 s SER 192 Cb -0.38 0.34 0.03 0.00 -1.71 0.00 0.00 66.02 64.30 1ud9 s SER 192 CO 0.50 -0.53 0.17 -0.94 1.20 0.00 0.00 173.24 173.64 1ud9 s SER 193 N -1.63 -0.16 0.29 5.45 1.04 -1.26 -1.45 113.70 115.99 1ud9 s SER 193 Ca -0.10 0.35 0.04 0.00 0.48 0.00 0.00 55.95 56.72 1ud9 s SER 193 Cb -0.03 0.28 -0.03 0.00 0.10 0.00 0.00 66.02 66.33 1ud9 s SER 193 CO 0.01 -0.12 0.25 -0.55 0.98 0.00 0.00 173.24 173.81 1ud9 s SER 194 N 0.79 1.21 0.01 7.02 0.15 0.23 -4.37 113.70 118.73 1ud9 s SER 194 Ca -0.06 -1.64 0.00 0.00 0.70 0.00 0.00 55.95 54.95 1ud9 s SER 194 Cb -0.07 0.51 -0.01 0.00 -1.71 0.00 0.00 66.02 64.74 1ud9 s SER 194 CO -0.04 -1.01 -0.01 0.00 1.20 0.00 0.00 173.24 173.37 1ud9 s ALA 195 N -3.63 0.08 0.04 5.45 0.00 -1.26 -1.35 121.76 121.09 1ud9 s ALA 195 Ca 0.40 -0.19 -0.09 0.00 0.00 0.00 0.00 51.96 52.08 1ud9 s ALA 195 Cb 0.04 0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.19 1ud9 s ALA 195 CO 0.23 -0.03 0.19 0.71 0.00 0.00 0.00 175.76 176.85 1ud9 s TYR 196 N -0.41 0.07 -0.27 0.00 1.51 -0.55 -1.01 117.35 116.69 1ud9 s TYR 196 Ca -0.04 -0.31 -0.29 0.00 -1.01 0.00 0.00 57.07 55.42 1ud9 s TYR 196 Cb -0.03 -0.04 -0.02 0.00 -0.11 0.00 0.00 41.96 41.76 1ud9 s TYR 196 CO -0.00 -0.43 1.58 0.34 -1.11 0.00 0.00 175.55 175.93 1ud9 s ASP 197 N -2.14 6.33 0.42 2.29 -1.08 -1.26 -0.43 116.67 120.80 1ud9 s ASP 197 Ca -0.04 1.42 0.29 0.00 -0.52 0.00 0.00 52.55 53.70 1ud9 s ASP 197 Cb -0.01 -2.53 1.13 0.00 -1.46 0.00 0.00 42.92 40.05 1ud9 s ASP 197 CO -0.04 -1.33 1.85 1.62 0.52 0.00 0.00 175.17 177.79 1ud9 h VAL 198 N 6.27 0.00 -0.50 1.11 3.04 -1.75 -2.54 116.25 121.88 1ud9 h VAL 198 Ca -0.32 -0.45 -0.11 0.00 -1.01 0.00 0.00 66.70 64.81 1ud9 h VAL 198 Cb 1.14 1.36 -0.02 0.00 -2.01 0.00 0.00 31.29 31.77 1ud9 h VAL 198 CO 1.02 0.00 -0.12 -0.08 -1.01 0.00 0.00 177.57 177.38 1ud9 h GLU 199 N 0.00 0.96 -0.38 4.17 4.22 -1.90 0.13 114.58 121.78 1ud9 h GLU 199 Ca 0.00 -0.36 -0.03 0.00 0.08 0.00 0.00 59.36 59.04 1ud9 h GLU 199 Cb 0.51 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 1ud9 h GLU 199 CO 0.00 1.03 0.11 1.88 -2.18 0.00 0.00 179.01 179.85 1ud9 h TYR 200 N 0.81 0.62 -0.61 0.92 -1.99 -1.84 -0.53 116.97 114.35 1ud9 h TYR 200 Ca 0.13 -0.07 -0.06 0.00 2.00 0.00 0.00 58.73 60.73 1ud9 h TYR 200 Cb 0.67 -0.18 -0.02 0.00 2.00 0.00 0.00 36.73 39.20 1ud9 h TYR 200 CO 0.05 0.60 0.13 -0.07 -0.00 0.00 0.00 178.16 178.87 1ud9 h LEU 201 N 0.46 0.94 -1.43 3.88 3.38 -1.41 -2.03 115.31 119.10 1ud9 h LEU 201 Ca 0.12 -0.24 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 1ud9 h LEU 201 Cb 0.28 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1ud9 h LEU 201 CO -0.00 0.94 -0.26 -1.13 0.09 0.00 0.00 178.44 178.08 1ud9 h ASN 202 N 0.90 0.04 -0.25 -0.43 -1.24 -0.61 -2.63 115.58 111.36 1ud9 h ASN 202 Ca 0.19 -0.01 -0.01 0.00 0.71 0.00 0.00 56.30 57.18 1ud9 h ASN 202 Cb 0.38 -0.01 -0.02 0.00 0.73 0.00 0.00 38.32 39.40 1ud9 h ASN 202 CO 0.00 0.30 0.13 0.44 -1.29 0.00 0.00 177.43 177.01 1ud9 h ASP 203 N 0.04 0.36 -0.52 1.15 3.32 -0.34 -2.95 116.42 117.47 1ud9 h ASP 203 Ca 0.01 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1ud9 h ASP 203 Cb 0.48 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.94 1ud9 h ASP 203 CO 0.03 0.32 0.00 2.30 -1.72 0.00 0.00 179.24 180.18 1ud9 n ILE 204 N -4.43 1.74 0.24 0.35 -6.64 -1.00 -4.63 119.36 104.99 1ud9 n ILE 204 Ca 0.01 -1.28 0.11 0.00 -1.77 0.00 0.00 62.75 59.82 1ud9 n ILE 204 Cb 0.12 0.14 0.52 0.00 -1.44 0.00 0.00 39.64 38.98 1ud9 n ILE 204 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1ud9 n ILE 205 N 0.72 1.02 0.29 7.28 0.13 -1.12 -1.15 119.36 126.53 1ud9 n ILE 205 Ca 0.22 0.55 0.17 0.00 -1.10 0.00 0.00 62.75 62.59 1ud9 n ILE 205 Cb 0.80 -1.52 0.84 0.00 -0.84 0.00 0.00 39.64 38.92 1ud9 n ILE 205 CO 0.00 0.00 0.00 0.77 2.80 0.00 0.00 176.55 180.12 1ud9 h SER 206 N 0.00 0.00 0.24 9.51 4.64 -1.85 -1.16 113.55 124.93 1ud9 h SER 206 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1ud9 h SER 206 Cb 0.13 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1ud9 h SER 206 CO 0.00 0.06 -0.05 -0.07 -0.87 0.00 0.00 176.83 175.90 1ud9 h LEU 207 N 0.00 0.00 -0.71 5.97 3.38 -1.33 -0.77 115.31 121.85 1ud9 h LEU 207 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ud9 h LEU 207 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1ud9 h LEU 207 CO 0.01 0.05 0.00 0.35 0.09 0.00 0.00 178.44 178.94 1ud9 n THR 208 N -3.53 1.00 0.67 0.22 -2.24 -0.44 -1.06 114.28 108.89 1ud9 n THR 208 Ca -0.02 0.37 0.11 0.00 -2.27 0.00 0.00 64.05 62.24 1ud9 n THR 208 Cb 0.16 -1.30 0.45 0.00 -2.10 0.00 0.00 70.33 67.54 1ud9 n THR 208 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1ud9 n LYS 209 N -2.07 0.05 0.16 -0.78 5.02 -0.30 -3.72 118.16 116.53 1ud9 n LYS 209 Ca 0.01 0.18 0.05 0.00 -2.02 0.00 0.00 58.31 56.53 1ud9 n LYS 209 Cb 0.16 -1.58 0.14 0.00 -0.02 0.00 0.00 35.03 33.73 1ud9 n LYS 209 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1ud9 h LEU 210 N 0.00 0.00 -7.72 -0.35 3.38 -1.28 -3.47 115.31 105.87 1ud9 h LEU 210 Ca 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 1ud9 h LEU 210 Cb 0.40 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 40.99 1ud9 h LEU 210 CO 0.00 0.42 -0.34 -0.94 0.09 0.00 0.00 178.44 177.67 1ud9 s SER 211 N -6.40 0.04 0.23 -0.43 1.04 -1.24 -4.67 113.70 102.26 1ud9 s SER 211 Ca 0.03 -0.48 0.11 0.00 0.48 0.00 0.00 55.95 56.09 1ud9 s SER 211 Cb 0.08 0.34 0.15 0.00 0.10 0.00 0.00 66.02 66.69 1ud9 s SER 211 CO 0.72 -0.67 1.48 0.44 0.98 0.00 0.00 173.24 176.19 1ud9 h ASP 212 N 2.99 0.00 -2.60 7.02 3.32 -1.87 -3.43 116.42 121.84 1ud9 h ASP 212 Ca -0.33 0.00 -0.62 0.00 0.02 0.00 0.00 57.03 56.09 1ud9 h ASP 212 Cb 1.20 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 40.59 1ud9 h ASP 212 CO 0.52 0.72 -0.78 -0.31 -1.72 0.00 0.00 179.24 177.66 1ud9 s TYR 213 N -3.19 2.28 -0.02 4.55 1.51 -1.26 -0.76 117.35 120.46 1ud9 s TYR 213 Ca 0.00 -0.34 0.05 0.00 -1.01 0.00 0.00 57.07 55.77 1ud9 s TYR 213 Cb 0.11 -1.04 -0.01 0.00 -0.11 0.00 0.00 41.96 40.90 1ud9 s TYR 213 CO 0.77 0.63 -0.17 0.54 -1.11 0.00 0.00 175.55 176.21 1ud9 s VAL 214 N -2.19 1.37 -0.25 0.71 0.11 -0.36 -4.57 120.40 115.21 1ud9 s VAL 214 Ca 0.26 -0.72 -0.17 0.00 -2.93 0.00 0.00 61.98 58.42 1ud9 s VAL 214 Cb -0.06 -1.15 -0.03 0.00 -1.53 0.00 0.00 36.38 33.61 1ud9 s VAL 214 CO 0.13 0.39 0.45 -0.54 -3.33 0.00 0.00 175.10 172.20 1ud9 s LYS 215 N -0.27 4.07 -0.24 1.54 1.02 -0.45 -1.17 119.74 124.25 1ud9 s LYS 215 Ca 0.04 0.22 -0.06 0.00 0.02 0.00 0.00 55.97 56.18 1ud9 s LYS 215 Cb -0.08 -3.64 -0.02 0.00 -0.52 0.00 0.00 37.83 33.57 1ud9 s LYS 215 CO 0.00 -0.28 0.03 0.08 -0.92 0.00 0.00 175.35 174.26 1ud9 s VAL 216 N 2.09 3.97 0.05 3.17 1.01 0.47 -0.85 120.40 130.31 1ud9 s VAL 216 Ca 0.19 -0.29 0.06 0.00 0.00 0.00 0.00 61.98 61.94 1ud9 s VAL 216 Cb -0.16 -2.84 -0.02 0.00 0.00 0.00 0.00 36.38 33.36 1ud9 s VAL 216 CO 0.09 0.37 -0.18 0.00 0.00 0.00 0.00 175.10 175.39 1ud9 s ALA 217 N 1.52 1.50 0.34 5.51 0.00 0.13 -0.71 121.76 130.05 1ud9 s ALA 217 Ca 0.06 -0.98 -0.18 0.00 0.00 0.00 0.00 51.96 50.86 1ud9 s ALA 217 Cb -0.15 -0.26 0.05 0.00 0.00 0.00 0.00 23.12 22.76 1ud9 s ALA 217 CO 0.01 0.31 0.79 -0.59 0.00 0.00 0.00 175.76 176.28 1ud9 s PHE 218 N -0.88 0.01 0.20 0.00 -0.12 -0.83 0.09 117.98 116.46 1ud9 s PHE 218 Ca 0.05 -0.60 -0.18 0.00 -0.05 0.00 0.00 56.93 56.14 1ud9 s PHE 218 Cb -0.09 0.79 0.03 0.00 -0.63 0.00 0.00 43.02 43.12 1ud9 s PHE 218 CO 0.02 -1.42 0.55 0.00 -0.05 0.00 0.00 175.22 174.32 1ud9 s ALA 219 N -2.83 -1.03 0.10 1.99 0.00 -1.26 -0.70 121.76 118.02 1ud9 s ALA 219 Ca 0.14 -0.16 -0.33 0.00 0.00 0.00 0.00 51.96 51.61 1ud9 s ALA 219 Cb -0.05 0.86 -0.13 0.00 0.00 0.00 0.00 23.12 23.80 1ud9 s ALA 219 CO 0.09 -0.83 1.71 -0.25 0.00 0.00 0.00 175.76 176.49 1ud9 n ASP 220 N -0.36 3.41 -3.21 0.00 9.92 -1.26 -2.00 116.55 123.05 1ud9 n ASP 220 Ca -0.10 1.04 -0.22 0.00 -0.53 0.00 0.00 54.79 54.98 1ud9 n ASP 220 Cb 0.62 -1.44 0.00 0.00 -0.64 0.00 0.00 41.12 39.66 1ud9 n ASP 220 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ud9 n GLN 221 N 4.64 -3.62 -4.39 -1.24 6.02 -1.26 -4.97 117.38 112.55 1ud9 n GLN 221 Ca 0.18 0.58 -0.20 0.00 -0.01 0.00 0.00 57.00 57.55 1ud9 n GLN 221 Cb 0.31 -5.31 -0.10 0.00 1.02 0.00 0.00 30.24 26.16 1ud9 n GLN 221 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1ud9 s LYS 222 N -5.86 1.46 0.59 -1.09 1.02 -0.85 -4.86 119.74 110.15 1ud9 s LYS 222 Ca 0.35 -1.68 -0.20 0.00 0.02 0.00 0.00 55.97 54.46 1ud9 s LYS 222 Cb -0.18 -1.27 -0.04 0.00 -0.52 0.00 0.00 37.83 35.83 1ud9 s LYS 222 CO 0.43 0.18 1.26 -2.30 -0.92 0.00 0.00 175.35 174.00 1ud9 n PRO 223 N -0.48 1.33 -3.18 -1.68 -0.02 -1.26 -4.30 135.00 125.41 1ud9 n PRO 223 Ca -0.07 0.50 -0.39 0.00 -2.02 0.00 0.00 63.50 61.53 1ud9 n PRO 223 Cb 0.61 -2.48 -0.06 0.00 -0.02 0.00 0.00 33.50 31.55 1ud9 n PRO 223 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 1ud9 s MET 224 N -3.03 4.33 -0.09 -0.52 -2.45 -0.24 -4.45 119.30 112.84 1ud9 s MET 224 Ca 0.76 0.88 0.04 0.00 -1.25 0.00 0.00 55.69 56.13 1ud9 s MET 224 Cb -0.41 -3.25 -0.00 0.00 1.25 0.00 0.00 34.83 32.42 1ud9 s MET 224 CO 0.45 0.61 -0.24 -1.14 1.05 0.00 0.00 175.02 175.76 1ud9 s GLN 225 N -1.11 2.84 -0.15 4.11 0.74 0.11 -1.57 119.66 124.65 1ud9 s GLN 225 Ca 0.31 -0.86 0.01 0.00 0.05 0.00 0.00 55.36 54.87 1ud9 s GLN 225 Cb -0.21 -2.21 -0.00 0.00 1.10 0.00 0.00 33.01 31.69 1ud9 s GLN 225 CO 0.21 0.22 -0.16 -0.51 -0.55 0.00 0.00 175.29 174.51 1ud9 s LEU 226 N 0.23 2.45 -0.11 3.68 1.43 0.54 -0.70 118.68 126.21 1ud9 s LEU 226 Ca -0.15 -0.47 0.04 0.00 -1.03 0.00 0.00 54.13 52.52 1ud9 s LEU 226 Cb -0.17 -1.55 0.00 0.00 0.03 0.00 0.00 46.19 44.51 1ud9 s LEU 226 CO 0.07 0.10 -0.23 -0.70 0.23 0.00 0.00 176.35 175.82 1ud9 s GLU 227 N 0.72 3.00 -0.30 1.70 2.12 -0.03 -0.47 118.70 125.43 1ud9 s GLU 227 Ca -0.07 -0.86 -0.01 0.00 0.36 0.00 0.00 54.97 54.39 1ud9 s GLU 227 Cb -0.16 -2.31 0.06 0.00 0.26 0.00 0.00 34.13 31.99 1ud9 s GLU 227 CO 0.01 0.13 -0.00 -0.06 -0.54 0.00 0.00 175.26 174.80 1ud9 s PHE 228 N 0.47 3.33 -0.19 5.30 0.40 0.24 -1.33 117.98 126.18 1ud9 s PHE 228 Ca -0.16 -2.08 -0.15 0.00 -0.60 0.00 0.00 56.93 53.94 1ud9 s PHE 228 Cb -0.17 -2.22 -0.04 0.00 0.51 0.00 0.00 43.02 41.09 1ud9 s PHE 228 CO 0.06 -0.84 0.37 -0.80 0.70 0.00 0.00 175.22 174.71 1ud9 s ASN 229 N 1.25 6.43 0.27 1.36 0.01 -1.26 -1.28 114.94 121.72 1ud9 s ASN 229 Ca -0.04 0.50 0.07 0.00 -0.71 0.00 0.00 52.86 52.69 1ud9 s ASN 229 Cb -0.20 -2.22 -0.03 0.00 0.41 0.00 0.00 41.25 39.21 1ud9 s ASN 229 CO -0.03 -0.04 0.20 -0.04 -1.51 0.00 0.00 177.10 175.68 1ud9 s MET 230 N 1.14 2.83 0.67 -0.60 -1.94 0.39 -4.68 119.30 117.11 1ud9 s MET 230 Ca 0.18 -1.14 -0.17 0.00 -1.71 0.00 0.00 55.69 52.85 1ud9 s MET 230 Cb -0.14 -2.51 0.00 0.00 2.01 0.00 0.00 34.83 34.19 1ud9 s MET 230 CO 0.07 0.33 1.27 -1.21 -0.01 0.00 0.00 175.02 175.48 1ud9 s GLU 231 N -3.86 2.44 0.00 2.03 2.02 -1.26 -2.69 118.70 117.38 1ud9 s GLU 231 Ca 0.34 1.99 0.00 0.00 0.02 0.00 0.00 54.97 57.32 1ud9 s GLU 231 Cb -0.07 -1.84 0.00 0.00 0.10 0.00 0.00 34.13 32.32 1ud9 s GLU 231 CO 0.25 -1.66 0.00 0.41 0.02 0.00 0.00 175.26 174.28 1ud9 n GLY 232 N 0.78 1.18 0.26 -1.39 0.00 -1.26 -3.71 105.19 101.05 1ud9 n GLY 232 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1ud9 n GLY 232 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ud9 n GLY 233 N -2.00 0.57 3.73 -0.02 0.00 -1.10 -4.08 105.19 102.29 1ud9 n GLY 233 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1ud9 n GLY 233 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ud9 n GLY 234 N -2.01 0.80 3.02 -0.02 0.00 -1.16 -4.66 105.19 101.16 1ud9 n GLY 234 Ca 0.00 0.23 -0.13 0.00 0.00 0.00 0.00 46.02 46.12 1ud9 n GLY 234 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ud9 s LYS 235 N -2.21 0.17 -0.08 1.61 2.20 0.08 -0.46 119.74 121.05 1ud9 s LYS 235 Ca 0.59 0.58 0.05 0.00 -0.36 0.00 0.00 55.97 56.83 1ud9 s LYS 235 Cb -0.49 -0.11 -0.01 0.00 -1.51 0.00 0.00 37.83 35.71 1ud9 s LYS 235 CO 0.59 -0.21 -0.24 0.08 -0.36 0.00 0.00 175.35 175.21 1ud9 s VAL 236 N 1.65 2.06 -0.04 4.02 1.01 -0.41 -1.06 120.40 127.64 1ud9 s VAL 236 Ca -0.06 -1.04 0.05 0.00 0.00 0.00 0.00 61.98 60.93 1ud9 s VAL 236 Cb -0.11 -1.76 -0.01 0.00 0.00 0.00 0.00 36.38 34.50 1ud9 s VAL 236 CO -0.08 0.57 -0.20 -0.89 0.00 0.00 0.00 175.10 174.49 1ud9 s THR 237 N 0.07 1.64 -0.08 3.92 2.01 0.16 -0.59 115.64 122.77 1ud9 s THR 237 Ca -0.11 -0.85 0.04 0.00 0.31 0.00 0.00 61.69 61.09 1ud9 s THR 237 Cb -0.16 -1.40 -0.01 0.00 0.01 0.00 0.00 72.50 70.95 1ud9 s THR 237 CO 0.06 0.47 -0.22 -0.47 -0.69 0.00 0.00 174.62 173.77 1ud9 s TYR 238 N -0.12 2.55 -0.02 4.92 5.04 0.38 -0.76 117.35 129.34 1ud9 s TYR 238 Ca -0.02 -0.77 0.06 0.00 -2.44 0.00 0.00 57.07 53.91 1ud9 s TYR 238 Cb -0.11 -1.67 -0.01 0.00 0.35 0.00 0.00 41.96 40.51 1ud9 s TYR 238 CO 0.02 -0.25 -0.21 -0.51 -1.34 0.00 0.00 175.55 173.26 1ud9 s LEU 239 N 0.02 2.03 -0.05 6.97 1.43 -0.30 -0.34 118.68 128.45 1ud9 s LEU 239 Ca -0.08 -0.40 -0.01 0.00 -1.03 0.00 0.00 54.13 52.61 1ud9 s LEU 239 Cb -0.15 -1.12 0.03 0.00 0.03 0.00 0.00 46.19 44.97 1ud9 s LEU 239 CO 0.05 0.25 0.01 -0.22 0.23 0.00 0.00 176.35 176.67 1ud9 s LEU 240 N -0.42 0.73 0.64 1.79 2.96 -0.60 -1.30 118.68 122.48 1ud9 s LEU 240 Ca 0.06 -0.04 -0.17 0.00 -0.22 0.00 0.00 54.13 53.75 1ud9 s LEU 240 Cb -0.09 -0.33 -0.01 0.00 0.50 0.00 0.00 46.19 46.26 1ud9 s LEU 240 CO -0.00 -0.16 1.21 0.00 -1.32 0.00 0.00 176.35 176.08 1ud9 s ALA 241 N 1.65 2.40 0.44 5.97 0.00 0.38 -1.08 121.76 131.52 1ud9 s ALA 241 Ca -0.01 0.98 -0.05 0.00 0.00 0.00 0.00 51.96 52.89 1ud9 s ALA 241 Cb -0.13 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.49 1ud9 s ALA 241 CO -0.03 -1.43 0.73 -1.25 0.00 0.00 0.00 175.76 173.78 1ud9 s PRO 242 N -3.54 3.56 0.58 0.00 0.04 -1.26 -4.73 135.00 129.65 1ud9 s PRO 242 Ca 0.77 0.11 0.01 0.00 0.04 0.00 0.00 61.00 61.93 1ud9 s PRO 242 Cb -0.31 -2.44 0.05 0.00 0.04 0.00 0.00 34.50 31.84 1ud9 s PRO 242 CO 0.38 -0.10 0.82 0.15 0.04 0.00 0.00 177.00 178.28 1ud9 s LYS 243 N -4.51 2.37 0.12 4.56 1.02 -0.18 -5.01 119.74 118.11 1ud9 s LYS 243 Ca 0.46 -0.88 -0.12 0.00 0.02 0.00 0.00 55.97 55.45 1ud9 s LYS 243 Cb -0.10 -2.46 -0.08 0.00 -0.52 0.00 0.00 37.83 34.66 1ud9 s LYS 243 CO 0.41 -0.86 1.41 -0.07 -0.92 0.00 0.00 175.35 175.33 1ud9 h LEU 244 N -0.04 0.96 0.00 3.17 3.38 -1.99 -3.39 115.31 117.40 1ud9 h LEU 244 Ca -0.40 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.05 1ud9 h LEU 244 Cb 1.29 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1ud9 h LEU 244 CO 0.49 1.29 0.00 -1.54 0.09 0.00 0.00 178.44 178.78