#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cg5 s LYS 2 N 0.00 0.66 -0.12 5.55 0.00 -1.26 -4.95 119.74 119.62 1cg5 s LYS 2 Ca 0.00 -0.12 -0.08 0.00 0.00 0.00 0.00 55.97 55.77 1cg5 s LYS 2 Cb 0.00 -0.68 -0.04 0.00 0.00 0.00 0.00 37.83 37.11 1cg5 s LYS 2 CO 0.00 -0.02 0.17 -0.51 0.00 0.00 0.00 175.35 174.99 1cg5 s LEU 3 N 0.60 4.38 0.77 2.77 1.43 -1.26 -5.06 118.68 122.31 1cg5 s LEU 3 Ca -0.07 0.50 -0.12 0.00 -1.03 0.00 0.00 54.13 53.41 1cg5 s LEU 3 Cb -0.11 -2.13 0.06 0.00 0.03 0.00 0.00 46.19 44.04 1cg5 s LEU 3 CO -0.00 0.38 1.13 -0.94 0.23 0.00 0.00 176.35 177.14 1cg5 s SER 4 N -0.89 4.80 0.21 2.29 1.04 -1.26 -4.83 113.70 115.07 1cg5 s SER 4 Ca 0.15 1.03 -0.09 0.00 0.48 0.00 0.00 55.95 57.52 1cg5 s SER 4 Cb -0.12 -1.70 0.28 0.00 0.10 0.00 0.00 66.02 64.58 1cg5 s SER 4 CO 0.04 -1.74 1.77 -0.08 0.98 0.00 0.00 173.24 174.21 1cg5 h GLU 5 N -0.94 0.50 -0.02 4.02 4.81 -1.99 -1.17 114.58 119.80 1cg5 h GLU 5 Ca -0.46 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 58.67 1cg5 h GLU 5 Cb 1.29 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 1cg5 h GLU 5 CO 0.64 0.33 -0.32 0.38 -0.73 0.00 0.00 179.01 179.31 1cg5 h ASP 6 N 0.52 0.03 -0.14 1.04 2.03 -1.99 -1.84 116.42 116.07 1cg5 h ASP 6 Ca 0.31 -0.01 -0.17 0.00 -0.73 0.00 0.00 57.03 56.43 1cg5 h ASP 6 Cb 0.33 -0.01 -0.00 0.00 -0.83 0.00 0.00 39.33 38.82 1cg5 h ASP 6 CO -0.26 0.35 -0.53 1.56 -1.03 0.00 0.00 179.24 179.32 1cg5 h GLN 7 N 0.03 0.73 -0.65 4.15 4.20 -1.63 -1.12 115.11 120.82 1cg5 h GLN 7 Ca 0.00 -0.45 -0.05 0.00 0.06 0.00 0.00 58.65 58.21 1cg5 h GLN 7 Cb 0.58 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.38 1cg5 h GLN 7 CO 0.04 1.08 0.21 0.93 -0.67 0.00 0.00 178.83 180.42 1cg5 h GLU 8 N 0.56 1.01 -0.16 1.46 5.08 -0.89 -2.04 114.58 119.60 1cg5 h GLU 8 Ca 0.02 -0.21 -0.08 0.00 -1.00 0.00 0.00 59.36 58.09 1cg5 h GLU 8 Cb 1.11 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.20 1cg5 h GLU 8 CO 0.11 0.88 -0.24 0.45 -1.00 0.00 0.00 179.01 179.21 1cg5 h HIS 9 N 0.94 0.31 -0.06 4.33 3.86 -1.14 -1.98 115.15 121.42 1cg5 h HIS 9 Ca 0.21 -0.06 -0.01 0.00 -1.16 0.00 0.00 60.37 59.36 1cg5 h HIS 9 Cb 0.28 -0.08 -0.00 0.00 1.06 0.00 0.00 27.41 28.67 1cg5 h HIS 9 CO 0.02 0.51 0.00 -0.92 0.86 0.00 0.00 177.93 178.40 1cg5 h TYR 10 N 0.26 0.11 -0.49 2.45 3.20 -0.75 -2.21 116.97 119.53 1cg5 h TYR 10 Ca 0.04 -0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.84 1cg5 h TYR 10 Cb 0.57 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.79 1cg5 h TYR 10 CO 0.01 0.36 0.08 0.97 -1.64 0.00 0.00 178.16 177.95 1cg5 h ILE 11 N -0.18 1.22 -0.56 1.81 6.09 -1.23 -1.72 117.51 122.95 1cg5 h ILE 11 Ca 0.02 -0.84 -0.08 0.00 -1.37 0.00 0.00 64.86 62.59 1cg5 h ILE 11 Cb 0.32 0.76 -0.02 0.00 0.47 0.00 0.00 36.82 38.34 1cg5 h ILE 11 CO 0.00 0.31 0.03 0.11 -3.07 0.00 0.00 178.15 175.53 1cg5 h LYS 12 N 0.74 0.93 -0.45 2.19 1.57 -1.33 -2.19 116.57 118.03 1cg5 h LYS 12 Ca 0.16 -0.26 -0.12 0.00 -1.87 0.00 0.00 60.65 58.56 1cg5 h LYS 12 Cb 0.33 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 1cg5 h LYS 12 CO 0.00 0.90 -0.20 0.78 -0.57 0.00 0.00 179.45 180.36 1cg5 h GLY 13 N 1.00 0.98 1.02 3.86 0.00 -0.88 -2.85 103.07 106.20 1cg5 h GLY 13 Ca 0.17 -0.84 -0.04 0.00 0.00 0.00 0.00 47.33 46.61 1cg5 h GLY 13 CO 0.02 0.77 0.25 -2.08 0.00 0.00 0.00 176.54 175.49 1cg5 h VAL 14 N 0.79 1.25 0.00 4.60 2.07 -1.12 -2.24 116.25 121.59 1cg5 h VAL 14 Ca 0.11 -0.80 -0.01 0.00 0.82 0.00 0.00 66.70 66.82 1cg5 h VAL 14 Cb 0.75 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 31.03 1cg5 h VAL 14 CO 0.06 0.31 -0.05 -0.25 0.02 0.00 0.00 177.57 177.67 1cg5 h TRP 15 N 0.96 0.00 0.00 1.57 -0.00 -1.26 -0.98 115.95 116.23 1cg5 h TRP 15 Ca 0.22 0.00 -0.14 0.00 -0.00 0.00 0.00 58.89 58.97 1cg5 h TRP 15 Cb 0.24 0.00 -0.02 0.00 -0.00 0.00 0.00 29.16 29.38 1cg5 h TRP 15 CO 0.02 0.05 -0.91 0.87 -0.00 0.00 0.00 178.44 178.47 1cg5 h LYS 16 N 0.00 0.00 0.12 2.65 1.57 -1.20 -3.38 116.57 116.33 1cg5 h LYS 16 Ca -0.00 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.45 1cg5 h LYS 16 Cb 0.38 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 1cg5 h LYS 16 CO 0.01 0.45 -1.76 0.22 -0.57 0.00 0.00 179.45 177.80 1cg5 h ASP 17 N 0.00 0.39 -3.59 0.86 3.58 -0.77 -3.48 116.42 113.40 1cg5 h ASP 17 Ca -0.07 -0.88 -0.50 0.00 0.42 0.00 0.00 57.03 56.01 1cg5 h ASP 17 Cb 1.49 -0.13 0.01 0.00 1.72 0.00 0.00 39.33 42.43 1cg5 h ASP 17 CO 0.06 1.76 0.08 0.68 -2.88 0.00 0.00 179.24 178.95 1cg5 s VAL 18 N -2.52 4.86 -0.47 2.25 -7.23 -0.46 -5.02 120.40 111.82 1cg5 s VAL 18 Ca -0.22 0.40 -0.29 0.00 -1.81 0.00 0.00 61.98 60.06 1cg5 s VAL 18 Cb 0.06 -3.78 0.03 0.00 0.56 0.00 0.00 36.38 33.25 1cg5 s VAL 18 CO 0.76 -0.61 1.16 -0.62 -0.31 0.00 0.00 175.10 175.48 1cg5 s ASP 19 N -3.48 6.62 0.10 4.85 -1.08 -1.26 -4.92 116.67 117.50 1cg5 s ASP 19 Ca 0.49 0.52 -0.32 0.00 -0.52 0.00 0.00 52.55 52.71 1cg5 s ASP 19 Cb -0.10 -2.55 -0.13 0.00 -1.46 0.00 0.00 42.92 38.68 1cg5 s ASP 19 CO 0.36 -1.26 1.52 0.45 0.52 0.00 0.00 175.17 176.76 1cg5 h HIS 20 N 9.33 -1.49 -0.49 -5.34 3.86 -1.95 -1.84 115.15 117.23 1cg5 h HIS 20 Ca -0.23 0.05 -0.06 0.00 -1.16 0.00 0.00 60.37 58.96 1cg5 h HIS 20 Cb 1.06 0.65 -0.02 0.00 1.06 0.00 0.00 27.41 30.16 1cg5 h HIS 20 CO 0.97 -0.54 0.05 -0.22 0.86 0.00 0.00 177.93 179.05 1cg5 h LYS 21 N -0.64 0.83 -0.34 2.45 3.64 -1.92 -2.99 116.57 117.60 1cg5 h LYS 21 Ca 0.01 -0.24 -0.09 0.00 -1.27 0.00 0.00 60.65 59.07 1cg5 h LYS 21 Cb 0.68 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.40 1cg5 h LYS 21 CO -0.34 0.84 -0.12 0.37 -2.27 0.00 0.00 179.45 177.93 1cg5 h GLN 22 N 0.70 0.69 0.00 1.90 5.75 -1.94 -1.11 115.11 121.10 1cg5 h GLN 22 Ca 0.15 -0.28 -0.10 0.00 -0.15 0.00 0.00 58.65 58.26 1cg5 h GLN 22 Cb 0.43 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.94 1cg5 h GLN 22 CO 0.01 0.87 -0.49 0.97 -2.65 0.00 0.00 178.83 177.55 1cg5 h ILE 23 N 0.47 1.33 -0.26 2.39 2.10 -1.42 -1.71 117.51 120.41 1cg5 h ILE 23 Ca 0.08 -1.71 -0.19 0.00 1.08 0.00 0.00 64.86 64.12 1cg5 h ILE 23 Cb 0.64 1.93 0.00 0.00 -1.09 0.00 0.00 36.82 38.30 1cg5 h ILE 23 CO 0.04 0.48 -0.59 0.74 -1.08 0.00 0.00 178.15 177.74 1cg5 h THR 24 N 0.00 1.28 -0.72 2.19 2.02 -1.45 -1.50 112.91 114.73 1cg5 h THR 24 Ca -0.00 -1.78 -0.07 0.00 0.77 0.00 0.00 66.41 65.33 1cg5 h THR 24 Cb 0.89 1.70 -0.03 0.00 -1.74 0.00 0.00 68.15 68.97 1cg5 h THR 24 CO 0.06 0.58 0.19 0.00 0.37 0.00 0.00 175.52 176.72 1cg5 h ALA 25 N 0.69 0.98 -0.59 6.16 0.00 -0.97 -0.67 119.26 124.87 1cg5 h ALA 25 Ca 0.00 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.58 1cg5 h ALA 25 Cb 1.20 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1cg5 h ALA 25 CO 0.13 0.67 0.01 0.87 0.00 0.00 0.00 179.25 180.93 1cg5 h LYS 26 N 1.08 1.03 -0.51 0.00 1.57 -1.22 -1.57 116.57 116.95 1cg5 h LYS 26 Ca 0.23 -0.32 -0.05 0.00 -1.87 0.00 0.00 60.65 58.63 1cg5 h LYS 26 Cb 0.35 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 1cg5 h LYS 26 CO -0.00 1.01 0.10 0.00 -0.57 0.00 0.00 179.45 179.99 1cg5 h ALA 27 N 0.98 1.22 -0.15 3.86 0.00 -0.91 -1.66 119.26 122.60 1cg5 h ALA 27 Ca 0.17 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1cg5 h ALA 27 Cb 0.54 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1cg5 h ALA 27 CO 0.03 0.53 -0.03 -0.07 0.00 0.00 0.00 179.25 179.71 1cg5 h LEU 28 N 0.76 0.29 -0.71 0.00 3.38 -0.84 -1.49 115.31 116.70 1cg5 h LEU 28 Ca 0.17 -0.36 0.05 0.00 0.09 0.00 0.00 57.88 57.83 1cg5 h LEU 28 Cb 0.32 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.93 1cg5 h LEU 28 CO 0.00 0.58 0.42 -0.08 0.09 0.00 0.00 178.44 179.44 1cg5 h GLU 29 N -0.01 0.75 -0.69 1.13 4.81 -1.10 -1.38 114.58 118.09 1cg5 h GLU 29 Ca 0.04 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 1cg5 h GLU 29 Cb 0.45 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.63 1cg5 h GLU 29 CO 0.01 0.50 0.24 -0.09 -0.73 0.00 0.00 179.01 178.94 1cg5 h ARG 30 N 0.78 1.03 -0.25 1.92 2.43 -1.17 -2.16 114.38 116.96 1cg5 h ARG 30 Ca 0.31 -0.19 -0.15 0.00 -0.81 0.00 0.00 59.98 59.14 1cg5 h ARG 30 Cb 0.15 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 1cg5 h ARG 30 CO -0.16 0.87 -0.46 -0.24 -1.51 0.00 0.00 179.97 178.46 1cg5 h VAL 31 N 1.00 1.30 -0.19 0.20 3.04 -0.64 -0.91 116.25 120.06 1cg5 h VAL 31 Ca 0.23 -1.66 -0.09 0.00 -1.01 0.00 0.00 66.70 64.16 1cg5 h VAL 31 Cb 0.24 1.61 -0.01 0.00 -2.01 0.00 0.00 31.29 31.12 1cg5 h VAL 31 CO -0.01 0.53 -0.27 -0.26 -1.01 0.00 0.00 177.57 176.54 1cg5 h PHE 32 N 0.51 0.39 0.03 3.17 0.04 -1.04 -1.06 116.94 118.98 1cg5 h PHE 32 Ca 0.03 -0.08 -0.16 0.00 2.80 0.00 0.00 57.97 60.56 1cg5 h PHE 32 Cb 1.00 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 39.04 1cg5 h PHE 32 CO 0.05 0.60 -0.82 0.28 -0.60 0.00 0.00 178.31 177.82 1cg5 h VAL 33 N 0.31 1.29 -0.17 -0.55 2.07 -1.31 -3.22 116.25 114.67 1cg5 h VAL 33 Ca 0.05 -2.31 -0.16 0.00 0.82 0.00 0.00 66.70 65.10 1cg5 h VAL 33 Cb 0.65 2.80 -0.01 0.00 -1.52 0.00 0.00 31.29 33.22 1cg5 h VAL 33 CO 0.05 0.52 -0.57 0.58 0.02 0.00 0.00 177.57 178.17 1cg5 h VAL 34 N -0.82 1.33 -2.43 2.57 2.07 -1.23 -3.35 116.25 114.38 1cg5 h VAL 34 Ca -0.20 -1.84 -0.60 0.00 0.82 0.00 0.00 66.70 64.88 1cg5 h VAL 34 Cb 1.31 1.81 -0.41 0.00 -1.52 0.00 0.00 31.29 32.49 1cg5 h VAL 34 CO -0.06 0.57 -0.74 -1.22 0.02 0.00 0.00 177.57 176.14 1cg5 n TYR 35 N -3.94 2.09 -0.43 1.57 4.01 -0.40 -4.99 117.16 115.05 1cg5 n TYR 35 Ca -0.03 -3.96 0.36 0.00 -0.16 0.00 0.00 57.90 54.10 1cg5 n TYR 35 Cb 0.62 -0.42 0.65 0.00 -0.31 0.00 0.00 39.34 39.88 1cg5 n TYR 35 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1cg5 h PRO 36 N 4.70 0.12 0.00 -0.72 0.11 -1.70 -1.48 132.00 133.03 1cg5 h PRO 36 Ca 0.17 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1cg5 h PRO 36 Cb 0.77 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.85 1cg5 h PRO 36 CO 0.66 0.08 0.00 -2.67 -0.21 0.00 0.00 178.00 175.86 1cg5 n TRP 37 N -4.59 0.76 0.72 0.65 2.14 -1.26 -1.92 117.44 113.95 1cg5 n TRP 37 Ca 0.35 0.36 0.10 0.00 2.07 0.00 0.00 57.50 60.37 1cg5 n TRP 37 Cb 1.37 -1.07 0.44 0.00 -0.81 0.00 0.00 31.31 31.23 1cg5 n TRP 37 CO 0.00 0.00 0.00 0.25 2.07 0.00 0.00 177.69 180.01 1cg5 n THR 38 N -2.25 0.59 1.66 -1.67 -2.24 -0.56 -2.81 114.28 107.00 1cg5 n THR 38 Ca -0.00 0.15 0.14 0.00 -2.27 0.00 0.00 64.05 62.06 1cg5 n THR 38 Cb 0.11 -0.80 0.64 0.00 -2.10 0.00 0.00 70.33 68.18 1cg5 n THR 38 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1cg5 n THR 39 N -1.48 0.03 -0.22 4.28 -2.24 -0.81 -4.48 114.28 109.36 1cg5 n THR 39 Ca 0.05 -0.16 -0.02 0.00 -2.27 0.00 0.00 64.05 61.65 1cg5 n THR 39 Cb 0.23 0.11 0.05 0.00 -2.10 0.00 0.00 70.33 68.61 1cg5 n THR 39 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1cg5 h ARG 40 N 1.41 -0.06 -0.53 -0.78 2.43 -1.74 -0.51 114.38 114.59 1cg5 h ARG 40 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1cg5 h ARG 40 Cb 0.30 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 1cg5 h ARG 40 CO 0.00 -0.04 0.00 1.28 -1.51 0.00 0.00 179.97 179.70 1cg5 n LEU 41 N -5.45 2.68 -1.73 3.80 4.77 -1.26 -4.30 117.00 115.51 1cg5 n LEU 41 Ca 0.07 -1.35 -0.18 0.00 -0.03 0.00 0.00 56.01 54.52 1cg5 n LEU 41 Cb 0.35 -0.39 0.09 0.00 -2.33 0.00 0.00 43.42 41.14 1cg5 n LEU 41 CO 0.02 0.52 0.49 0.49 -1.33 0.00 0.00 177.39 177.58 1cg5 n PHE 42 N 0.58 2.16 0.29 -1.77 3.72 -0.20 -4.75 117.46 117.50 1cg5 n PHE 42 Ca 0.14 -2.14 0.16 0.00 -0.05 0.00 0.00 57.45 55.56 1cg5 n PHE 42 Cb 0.49 -0.53 0.89 0.00 -0.94 0.00 0.00 39.48 39.39 1cg5 n PHE 42 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1cg5 h SER 43 N 1.78 0.00 0.37 4.37 4.64 -1.75 -1.41 113.55 121.55 1cg5 h SER 43 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 1cg5 h SER 43 Cb 1.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.48 1cg5 h SER 43 CO 0.72 0.05 0.00 0.07 -0.87 0.00 0.00 176.83 176.80 1cg5 h LYS 44 N 0.00 0.00 0.00 4.77 2.10 -1.94 -1.92 116.57 119.57 1cg5 h LYS 44 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1cg5 h LYS 44 Cb 0.15 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.48 1cg5 h LYS 44 CO 0.01 0.00 0.00 -0.07 -2.00 0.00 0.00 179.45 177.39 1cg5 h LEU 45 N 0.00 0.00 2.45 7.07 3.38 -1.60 -3.47 115.31 123.14 1cg5 h LEU 45 Ca 0.00 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.57 1cg5 h LEU 45 Cb 0.19 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1cg5 h LEU 45 CO 0.00 0.00 -0.54 0.00 0.09 0.00 0.00 178.44 177.99 1cg5 n GLN 46 N -2.58 -2.52 -0.88 1.13 6.02 -0.72 -1.80 117.38 116.02 1cg5 n GLN 46 Ca 0.02 0.95 0.00 0.00 -0.01 0.00 0.00 57.00 57.97 1cg5 n GLN 46 Cb 0.32 -5.67 0.00 0.00 1.02 0.00 0.00 30.24 25.91 1cg5 n GLN 46 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1cg5 n GLY 47 N -1.13 0.93 3.38 1.08 0.00 -1.26 -4.99 105.19 103.20 1cg5 n GLY 47 Ca -0.21 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.36 1cg5 n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1cg5 s LEU 48 N 0.00 5.64 0.00 0.99 1.02 -0.75 -4.89 118.68 120.69 1cg5 s LEU 48 Ca 0.00 -1.86 0.16 0.00 0.02 0.00 0.00 54.13 52.44 1cg5 s LEU 48 Cb 0.00 -2.30 0.37 0.00 0.02 0.00 0.00 46.19 44.27 1cg5 s LEU 48 CO 0.00 -0.98 1.28 0.49 0.02 0.00 0.00 176.35 177.16 1cg5 n PHE 49 N 5.83 0.51 -2.41 0.29 3.72 -1.26 -4.68 117.46 119.46 1cg5 n PHE 49 Ca 0.03 -0.38 -0.34 0.00 -0.05 0.00 0.00 57.45 56.71 1cg5 n PHE 49 Cb 0.45 -0.01 -0.02 0.00 -0.94 0.00 0.00 39.48 38.96 1cg5 n PHE 49 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 1cg5 s SER 50 N -1.08 6.04 0.42 4.37 0.01 -1.26 -4.28 113.70 117.92 1cg5 s SER 50 Ca 0.30 2.05 0.16 0.00 1.31 0.00 0.00 55.95 59.77 1cg5 s SER 50 Cb 0.17 -2.57 1.06 0.00 0.21 0.00 0.00 66.02 64.89 1cg5 s SER 50 CO 0.22 -0.99 1.89 0.00 0.41 0.00 0.00 173.24 174.77 1cg5 h ALA 51 N 1.38 2.15 -0.01 1.44 0.00 -1.93 -0.02 119.26 122.28 1cg5 h ALA 51 Ca -0.50 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1cg5 h ALA 51 Cb 1.24 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1cg5 h ALA 51 CO 0.58 -0.40 -0.10 0.09 0.00 0.00 0.00 179.25 179.43 1cg5 n ASN 52 N -4.49 1.04 -4.74 0.00 5.03 -1.26 -4.20 115.26 106.63 1cg5 n ASN 52 Ca 0.17 -1.10 -0.41 0.00 0.87 0.00 0.00 54.58 54.10 1cg5 n ASN 52 Cb 0.61 0.03 -0.03 0.00 -1.02 0.00 0.00 39.78 39.36 1cg5 n ASN 52 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 1cg5 s ASP 53 N -2.24 7.03 0.26 6.41 1.01 -0.02 -4.88 116.67 124.24 1cg5 s ASP 53 Ca 0.33 2.33 -0.05 0.00 0.71 0.00 0.00 52.55 55.86 1cg5 s ASP 53 Cb 0.20 -2.61 0.49 0.00 1.01 0.00 0.00 42.92 42.01 1cg5 s ASP 53 CO 0.42 -0.40 1.63 -0.29 0.21 0.00 0.00 175.17 176.74 1cg5 h ILE 54 N 3.59 0.30 -0.82 0.77 6.09 -1.90 -0.84 117.51 124.71 1cg5 h ILE 54 Ca -0.45 -0.04 -0.04 0.00 -1.37 0.00 0.00 64.86 62.96 1cg5 h ILE 54 Cb 1.21 0.19 -0.04 0.00 0.47 0.00 0.00 36.82 38.66 1cg5 h ILE 54 CO 0.73 0.02 0.35 1.23 -3.07 0.00 0.00 178.15 177.41 1cg5 h GLY 55 N 0.10 1.29 1.10 8.18 0.00 -1.92 -0.68 103.07 111.15 1cg5 h GLY 55 Ca 0.45 -0.69 -0.15 0.00 0.00 0.00 0.00 47.33 46.94 1cg5 h GLY 55 CO -0.70 0.65 -0.36 -2.08 0.00 0.00 0.00 176.54 174.05 1cg5 h VAL 56 N 1.18 1.28 -0.88 4.60 2.07 -1.62 -2.41 116.25 120.47 1cg5 h VAL 56 Ca 0.27 -1.53 -0.01 0.00 0.82 0.00 0.00 66.70 66.25 1cg5 h VAL 56 Cb 0.19 1.41 -0.04 0.00 -1.52 0.00 0.00 31.29 31.33 1cg5 h VAL 56 CO -0.03 0.51 0.53 1.56 0.02 0.00 0.00 177.57 180.16 1cg5 h GLN 57 N 0.71 1.19 -0.54 1.57 1.08 -0.89 -0.24 115.11 118.00 1cg5 h GLN 57 Ca 0.06 -0.11 -0.07 0.00 -1.45 0.00 0.00 58.65 57.08 1cg5 h GLN 57 Cb 0.95 -0.25 -0.02 0.00 -0.05 0.00 0.00 27.48 28.11 1cg5 h GLN 57 CO 0.09 0.84 0.04 1.96 -0.95 0.00 0.00 178.83 180.81 1cg5 h GLN 58 N 1.21 0.92 -0.16 1.46 4.20 -1.02 -2.43 115.11 119.28 1cg5 h GLN 58 Ca 0.31 -0.27 -0.15 0.00 0.06 0.00 0.00 58.65 58.61 1cg5 h GLN 58 Cb -0.05 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.63 1cg5 h GLN 58 CO -0.06 0.91 -0.53 1.25 -0.67 0.00 0.00 178.83 179.74 1cg5 h HIS 59 N 0.80 0.57 -0.34 2.96 2.76 -1.13 -2.97 115.15 117.79 1cg5 h HIS 59 Ca 0.16 -0.20 -0.02 0.00 -2.20 0.00 0.00 60.37 58.11 1cg5 h HIS 59 Cb 0.47 -0.11 -0.02 0.00 1.55 0.00 0.00 27.41 29.30 1cg5 h HIS 59 CO 0.03 0.89 0.10 0.00 -1.30 0.00 0.00 177.93 177.66 1cg5 h ALA 60 N 1.07 1.56 -0.43 5.26 0.00 -0.89 -1.44 119.26 124.39 1cg5 h ALA 60 Ca 0.01 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 1cg5 h ALA 60 Cb 1.05 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1cg5 h ALA 60 CO 0.09 0.34 -0.11 0.22 0.00 0.00 0.00 179.25 179.79 1cg5 h ASP 61 N 0.48 0.76 -0.14 0.00 3.58 -1.28 -0.98 116.42 118.85 1cg5 h ASP 61 Ca 0.12 -0.23 -0.05 0.00 0.42 0.00 0.00 57.03 57.29 1cg5 h ASP 61 Cb 0.15 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 40.99 1cg5 h ASP 61 CO -0.01 0.90 -0.09 0.11 -2.88 0.00 0.00 179.24 177.27 1cg5 h LYS 62 N 0.70 0.31 -0.36 0.28 1.57 -1.29 -3.05 116.57 114.72 1cg5 h LYS 62 Ca 0.12 -0.15 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 1cg5 h LYS 62 Cb 0.59 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 1cg5 h LYS 62 CO 0.04 0.66 0.04 0.28 -0.57 0.00 0.00 179.45 179.91 1cg5 h VAL 63 N -0.05 1.24 -0.42 0.50 2.07 -1.19 -3.04 116.25 115.36 1cg5 h VAL 63 Ca 0.03 -0.87 -0.03 0.00 0.82 0.00 0.00 66.70 66.64 1cg5 h VAL 63 Cb 0.59 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 1cg5 h VAL 63 CO 0.03 0.29 0.11 0.06 0.02 0.00 0.00 177.57 178.08 1cg5 h GLN 64 N 0.43 0.61 -0.48 1.57 -0.00 -1.26 -1.30 115.11 114.69 1cg5 h GLN 64 Ca 0.11 -0.10 -0.03 0.00 -0.00 0.00 0.00 58.65 58.63 1cg5 h GLN 64 Cb 0.38 -0.10 -0.02 0.00 -0.00 0.00 0.00 27.48 27.74 1cg5 h GLN 64 CO 0.01 0.55 0.19 0.00 -0.00 0.00 0.00 178.83 179.58 1cg5 h ARG 65 N 0.60 0.72 -0.62 0.06 3.08 -1.49 -0.93 114.38 115.81 1cg5 h ARG 65 Ca 0.14 -0.13 -0.08 0.00 0.07 0.00 0.00 59.98 59.98 1cg5 h ARG 65 Cb 0.21 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 1cg5 h ARG 65 CO -0.01 0.64 0.06 0.00 -1.07 0.00 0.00 179.97 179.60 1cg5 h ALA 66 N 1.04 0.95 -0.68 0.04 0.00 -1.35 -2.26 119.26 116.99 1cg5 h ALA 66 Ca 0.16 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1cg5 h ALA 66 Cb 0.20 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1cg5 h ALA 66 CO -0.01 0.65 0.25 -0.07 0.00 0.00 0.00 179.25 180.07 1cg5 h LEU 67 N 0.96 0.93 -0.88 0.00 3.38 -0.92 -2.04 115.31 116.74 1cg5 h LEU 67 Ca 0.18 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 1cg5 h LEU 67 Cb 0.47 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 1cg5 h LEU 67 CO 0.02 0.84 0.28 1.23 0.09 0.00 0.00 178.44 180.90 1cg5 h GLY 68 N 1.06 1.19 1.84 0.83 0.00 -0.80 -0.97 103.07 106.22 1cg5 h GLY 68 Ca 0.23 -0.64 -0.07 0.00 0.00 0.00 0.00 47.33 46.84 1cg5 h GLY 68 CO -0.02 0.61 -0.24 0.83 0.00 0.00 0.00 176.54 177.72 1cg5 h GLU 69 N 1.08 0.19 -0.11 4.80 5.08 -0.87 -0.69 114.58 124.07 1cg5 h GLU 69 Ca 0.25 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.48 1cg5 h GLU 69 Cb 0.22 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1cg5 h GLU 69 CO -0.02 0.43 -0.20 0.00 -1.00 0.00 0.00 179.01 178.22 1cg5 h ALA 70 N 1.58 0.17 0.00 3.43 0.00 -0.87 -3.27 119.26 120.31 1cg5 h ALA 70 Ca 0.03 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.51 1cg5 h ALA 70 Cb 0.52 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1cg5 h ALA 70 CO 0.04 0.11 -0.31 0.82 0.00 0.00 0.00 179.25 179.91 1cg5 h ILE 71 N -0.11 1.19 0.00 0.00 2.04 -0.87 -2.62 117.51 117.14 1cg5 h ILE 71 Ca 0.00 -1.07 -0.04 0.00 1.00 0.00 0.00 64.86 64.76 1cg5 h ILE 71 Cb 0.79 1.58 -0.01 0.00 -0.74 0.00 0.00 36.82 38.44 1cg5 h ILE 71 CO 0.05 0.30 -0.18 0.44 0.00 0.00 0.00 178.15 178.75 1cg5 h ASP 72 N 0.00 0.00 -1.56 1.72 3.32 -1.18 -3.35 116.42 115.37 1cg5 h ASP 72 Ca -0.00 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.70 1cg5 h ASP 72 Cb 0.56 0.00 -0.26 0.00 0.22 0.00 0.00 39.33 39.85 1cg5 h ASP 72 CO 0.04 0.18 -0.72 -0.67 -1.72 0.00 0.00 179.24 176.36 1cg5 n ASP 73 N -3.63 -2.08 0.17 6.45 -0.08 -1.06 -5.00 116.55 111.32 1cg5 n ASP 73 Ca -0.01 -2.70 0.13 0.00 -1.51 0.00 0.00 54.79 50.70 1cg5 n ASP 73 Cb 0.31 0.72 0.60 0.00 2.34 0.00 0.00 41.12 45.09 1cg5 n ASP 73 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1cg5 h LEU 74 N 5.19 0.00 0.00 -2.67 3.38 -1.62 -2.84 115.31 116.76 1cg5 h LEU 74 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1cg5 h LEU 74 Cb 1.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1cg5 h LEU 74 CO 0.19 0.00 -0.58 0.29 0.09 0.00 0.00 178.44 178.43 1cg5 n LYS 75 N -2.39 0.22 -0.75 1.13 5.02 -1.26 -4.12 118.16 116.01 1cg5 n LYS 75 Ca 0.00 0.06 0.06 0.00 -2.02 0.00 0.00 58.31 56.41 1cg5 n LYS 75 Cb 0.15 -1.64 0.16 0.00 -0.02 0.00 0.00 35.03 33.69 1cg5 n LYS 75 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1cg5 n LYS 76 N -1.95 1.18 -0.15 1.97 5.02 -1.07 -4.84 118.16 118.32 1cg5 n LYS 76 Ca 0.04 -2.91 -0.05 0.00 -2.02 0.00 0.00 58.31 53.37 1cg5 n LYS 76 Cb 0.41 -1.23 0.04 0.00 -0.02 0.00 0.00 35.03 34.23 1cg5 n LYS 76 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1cg5 h VAL 77 N 2.37 0.96 -0.75 -0.18 2.07 -1.70 -0.86 116.25 118.16 1cg5 h VAL 77 Ca -0.05 -0.16 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 1cg5 h VAL 77 Cb 1.20 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 1cg5 h VAL 77 CO 0.02 0.09 0.34 -0.08 0.02 0.00 0.00 177.57 177.96 1cg5 h GLU 78 N 0.47 1.09 -0.33 1.57 4.81 -1.91 -0.57 114.58 119.71 1cg5 h GLU 78 Ca 0.20 -0.17 -0.05 0.00 -0.13 0.00 0.00 59.36 59.22 1cg5 h GLU 78 Cb 0.11 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 1cg5 h GLU 78 CO -0.14 0.86 0.02 0.82 -0.73 0.00 0.00 179.01 179.83 1cg5 h ILE 79 N 1.06 1.25 0.00 2.32 2.04 -1.87 -2.92 117.51 119.39 1cg5 h ILE 79 Ca 0.25 -0.91 -0.02 0.00 1.00 0.00 0.00 64.86 65.18 1cg5 h ILE 79 Cb 0.14 1.21 -0.00 0.00 -0.74 0.00 0.00 36.82 37.43 1cg5 h ILE 79 CO -0.03 0.30 -0.11 0.78 0.00 0.00 0.00 178.15 179.09 1cg5 h ASN 80 N 0.37 0.00 -0.36 1.72 -0.26 -0.89 -3.18 115.58 112.99 1cg5 h ASN 80 Ca 0.09 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.83 1cg5 h ASN 80 Cb 0.41 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.67 1cg5 h ASN 80 CO 0.01 0.11 0.00 0.49 -1.06 0.00 0.00 177.43 176.98 1cg5 n PHE 81 N -3.30 0.45 -0.16 1.19 3.01 -0.24 -4.63 117.46 113.78 1cg5 n PHE 81 Ca -0.00 -0.24 -0.02 0.00 1.01 0.00 0.00 57.45 58.20 1cg5 n PHE 81 Cb 0.34 -0.00 0.07 0.00 -0.01 0.00 0.00 39.48 39.87 1cg5 n PHE 81 CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 1cg5 h GLN 82 N 4.38 0.27 -0.38 -1.08 1.08 -1.49 0.19 115.11 118.08 1cg5 h GLN 82 Ca 0.00 -0.02 -0.15 0.00 -1.45 0.00 0.00 58.65 57.04 1cg5 h GLN 82 Cb 0.97 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 28.33 1cg5 h GLN 82 CO 0.00 0.18 -0.35 -0.91 -0.95 0.00 0.00 178.83 176.80 1cg5 h ASN 83 N 0.28 0.92 -0.06 1.46 -0.26 -1.85 -2.03 115.58 114.03 1cg5 h ASN 83 Ca 0.25 -0.40 -0.08 0.00 -0.56 0.00 0.00 56.30 55.51 1cg5 h ASN 83 Cb 0.32 -0.26 -0.01 0.00 -1.06 0.00 0.00 38.32 37.30 1cg5 h ASN 83 CO -0.30 1.17 -0.18 0.25 -1.06 0.00 0.00 177.43 177.31 1cg5 h LEU 84 N 0.72 0.43 -0.13 1.61 5.85 -1.72 -1.10 115.31 120.97 1cg5 h LEU 84 Ca 0.07 -0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 1cg5 h LEU 84 Cb 0.92 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.83 1cg5 h LEU 84 CO 0.08 0.63 -0.02 -1.28 -0.34 0.00 0.00 178.44 177.52 1cg5 h SER 85 N 0.40 0.25 -0.68 1.25 0.87 -0.49 -2.20 113.55 112.95 1cg5 h SER 85 Ca 0.07 -0.34 -0.01 0.00 -1.23 0.00 0.00 61.79 60.27 1cg5 h SER 85 Cb 0.55 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 62.41 1cg5 h SER 85 CO 0.04 0.53 0.38 1.23 -0.53 0.00 0.00 176.83 178.47 1cg5 h GLY 86 N -0.04 1.03 1.02 5.77 0.00 -1.12 -2.20 103.07 107.53 1cg5 h GLY 86 Ca 0.04 -0.46 -0.03 0.00 0.00 0.00 0.00 47.33 46.88 1cg5 h GLY 86 CO 0.01 0.44 0.37 1.70 0.00 0.00 0.00 176.54 179.06 1cg5 h LYS 87 N 0.97 1.09 -0.51 4.80 1.63 -1.10 -2.15 116.57 121.29 1cg5 h LYS 87 Ca 0.25 -0.16 -0.05 0.00 -0.85 0.00 0.00 60.65 59.84 1cg5 h LYS 87 Cb 0.03 -0.20 -0.02 0.00 -0.60 0.00 0.00 32.23 31.44 1cg5 h LYS 87 CO -0.04 0.84 0.12 0.45 -3.45 0.00 0.00 179.45 177.37 1cg5 h HIS 88 N 1.06 0.80 -0.56 1.91 3.86 -0.78 -0.56 115.15 120.87 1cg5 h HIS 88 Ca 0.26 -0.07 -0.10 0.00 -1.16 0.00 0.00 60.37 59.30 1cg5 h HIS 88 Cb 0.11 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 28.33 1cg5 h HIS 88 CO 0.01 0.68 -0.03 0.37 0.86 0.00 0.00 177.93 179.82 1cg5 h GLN 89 N 0.75 1.02 -0.63 2.45 4.15 -1.12 -0.54 115.11 121.20 1cg5 h GLN 89 Ca 0.17 -0.34 -0.00 0.00 0.77 0.00 0.00 58.65 59.25 1cg5 h GLN 89 Cb 0.29 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 27.86 1cg5 h GLN 89 CO -0.00 1.02 0.38 0.93 -1.93 0.00 0.00 178.83 179.23 1cg5 h GLU 90 N 0.90 0.86 -0.47 1.69 5.08 -0.85 -2.00 114.58 119.79 1cg5 h GLU 90 Ca 0.16 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.39 1cg5 h GLU 90 Cb 0.58 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 1cg5 h GLU 90 CO 0.03 0.61 0.10 0.82 -1.00 0.00 0.00 179.01 179.57 1cg5 h ILE 91 N 0.86 1.21 0.00 3.13 2.04 -0.92 -3.47 117.51 120.35 1cg5 h ILE 91 Ca 0.23 -0.77 0.00 0.00 1.00 0.00 0.00 64.86 65.32 1cg5 h ILE 91 Cb -0.02 0.75 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 1cg5 h ILE 91 CO -0.04 0.28 0.00 0.61 0.00 0.00 0.00 178.15 179.00 1cg5 n GLY 92 N -0.90 1.40 3.73 5.37 0.00 -0.31 -5.10 105.19 109.38 1cg5 n GLY 92 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1cg5 n GLY 92 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1cg5 s VAL 93 N -2.00 3.90 -0.05 1.61 1.01 -0.62 -5.01 120.40 119.24 1cg5 s VAL 93 Ca 0.00 1.56 -0.30 0.00 0.00 0.00 0.00 61.98 63.25 1cg5 s VAL 93 Cb 0.00 -4.00 -0.02 0.00 0.00 0.00 0.00 36.38 32.36 1cg5 s VAL 93 CO 0.00 0.23 1.01 -0.62 0.00 0.00 0.00 175.10 175.73 1cg5 s ASP 94 N 0.17 7.29 0.60 3.32 -1.08 -1.26 -4.73 116.67 120.97 1cg5 s ASP 94 Ca 0.52 1.62 0.30 0.00 -0.52 0.00 0.00 52.55 54.47 1cg5 s ASP 94 Cb -0.29 -2.56 1.83 0.00 -1.46 0.00 0.00 42.92 40.43 1cg5 s ASP 94 CO 0.34 -0.37 2.23 0.71 0.52 0.00 0.00 175.17 178.60 1cg5 h THR 95 N 4.94 0.49 -0.22 1.71 1.35 -1.97 -1.95 112.91 117.25 1cg5 h THR 95 Ca -0.36 0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 65.46 1cg5 h THR 95 Cb 1.18 0.97 -0.01 0.00 -1.73 0.00 0.00 68.15 68.56 1cg5 h THR 95 CO 0.81 0.00 -0.05 -0.61 -0.25 0.00 0.00 175.52 175.42 1cg5 h GLN 96 N 0.00 0.34 -0.38 4.72 5.75 -1.99 -2.25 115.11 121.29 1cg5 h GLN 96 Ca 0.02 -0.07 0.09 0.00 -0.15 0.00 0.00 58.65 58.54 1cg5 h GLN 96 Cb 0.09 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.57 1cg5 h GLN 96 CO -0.00 0.41 0.27 -0.91 -2.65 0.00 0.00 178.83 175.95 1cg5 h ASN 97 N 0.33 0.10 -0.80 -0.69 4.21 -1.76 -1.52 115.58 115.44 1cg5 h ASN 97 Ca 0.07 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.56 1cg5 h ASN 97 Cb 0.30 -0.02 -0.04 0.00 -1.12 0.00 0.00 38.32 37.44 1cg5 h ASN 97 CO 0.01 0.06 0.41 -0.26 -1.29 0.00 0.00 177.43 176.36 1cg5 h PHE 98 N 0.11 1.14 -0.29 1.19 0.04 -1.56 -2.10 116.94 115.47 1cg5 h PHE 98 Ca 0.18 -0.04 -0.12 0.00 2.80 0.00 0.00 57.97 60.79 1cg5 h PHE 98 Cb 0.58 -0.36 -0.01 0.00 2.20 0.00 0.00 35.95 38.35 1cg5 h PHE 98 CO -0.00 0.81 -0.33 0.87 -0.60 0.00 0.00 178.31 179.07 1cg5 h LYS 99 N 1.15 0.62 -0.47 1.51 1.57 -1.40 -2.63 116.57 116.90 1cg5 h LYS 99 Ca 0.28 -0.28 -0.11 0.00 -1.87 0.00 0.00 60.65 58.68 1cg5 h LYS 99 Cb 0.08 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 1cg5 h LYS 99 CO -0.04 0.86 -0.13 -0.07 -0.57 0.00 0.00 179.45 179.51 1cg5 h LEU 100 N 0.52 0.88 -0.91 2.94 3.38 -1.29 -2.59 115.31 118.24 1cg5 h LEU 100 Ca 0.06 -0.28 -0.09 0.00 0.09 0.00 0.00 57.88 57.66 1cg5 h LEU 100 Cb 0.82 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 1cg5 h LEU 100 CO 0.07 1.01 -0.16 0.25 0.09 0.00 0.00 178.44 179.70 1cg5 h LEU 101 N 0.79 0.61 -0.95 1.67 5.85 -1.32 -2.19 115.31 119.77 1cg5 h LEU 101 Ca 0.12 -0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.67 1cg5 h LEU 101 Cb 0.65 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.47 1cg5 h LEU 101 CO 0.05 0.79 0.63 1.23 -0.34 0.00 0.00 178.44 180.80 1cg5 h GLY 102 N 0.98 1.34 0.99 3.75 0.00 -1.15 -0.02 103.07 108.97 1cg5 h GLY 102 Ca 0.09 -0.50 -0.07 0.00 0.00 0.00 0.00 47.33 46.86 1cg5 h GLY 102 CO 0.04 0.48 0.06 -1.61 0.00 0.00 0.00 176.54 175.51 1cg5 h GLN 103 N 1.28 0.85 -0.00 4.80 5.75 -1.08 -1.90 115.11 124.81 1cg5 h GLN 103 Ca 0.35 -0.24 -0.13 0.00 -0.15 0.00 0.00 58.65 58.49 1cg5 h GLN 103 Cb -0.14 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.30 1cg5 h GLN 103 CO -0.08 0.85 -0.60 1.79 -2.65 0.00 0.00 178.83 178.15 1cg5 h THR 104 N 0.72 1.43 -0.62 2.39 1.35 -1.06 -2.77 112.91 114.35 1cg5 h THR 104 Ca 0.15 -2.04 -0.09 0.00 -0.55 0.00 0.00 66.41 63.88 1cg5 h THR 104 Cb 0.43 2.10 -0.02 0.00 -1.73 0.00 0.00 68.15 68.93 1cg5 h THR 104 CO 0.01 0.58 0.02 0.15 -0.25 0.00 0.00 175.52 176.04 1cg5 h PHE 105 N 0.00 1.18 -0.09 4.73 3.04 -0.78 -1.87 116.94 123.15 1cg5 h PHE 105 Ca -0.01 -0.19 -0.08 0.00 3.98 0.00 0.00 57.97 61.67 1cg5 h PHE 105 Cb 1.05 -0.31 -0.01 0.00 2.56 0.00 0.00 35.95 39.24 1cg5 h PHE 105 CO 0.00 1.02 -0.29 0.52 -2.02 0.00 0.00 178.31 177.54 1cg5 h MET 106 N 0.99 0.17 -0.39 1.11 2.86 -1.18 -0.40 114.93 118.09 1cg5 h MET 106 Ca 0.18 -0.06 -0.14 0.00 -2.06 0.00 0.00 59.70 57.62 1cg5 h MET 106 Cb 0.54 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.18 1cg5 h MET 106 CO 0.03 0.46 -0.30 0.28 1.06 0.00 0.00 176.91 178.44 1cg5 h VAL 107 N 0.15 1.28 -0.42 -2.22 2.07 -1.20 -0.76 116.25 115.16 1cg5 h VAL 107 Ca 0.02 -1.46 -0.09 0.00 0.82 0.00 0.00 66.70 65.99 1cg5 h VAL 107 Cb 0.61 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 1cg5 h VAL 107 CO 0.04 0.49 -0.10 -0.33 0.02 0.00 0.00 177.57 177.70 1cg5 h GLU 108 N 0.71 0.73 -0.48 1.57 4.39 -0.92 -0.76 114.58 119.81 1cg5 h GLU 108 Ca 0.07 -0.23 -0.09 0.00 0.34 0.00 0.00 59.36 59.45 1cg5 h GLU 108 Cb 0.88 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.44 1cg5 h GLU 108 CO 0.08 0.81 -0.06 -0.07 -1.16 0.00 0.00 179.01 178.61 1cg5 h LEU 109 N 0.67 0.83 -0.74 1.33 3.38 -0.86 -1.64 115.31 118.28 1cg5 h LEU 109 Ca 0.12 -0.23 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 1cg5 h LEU 109 Cb 0.55 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 1cg5 h LEU 109 CO 0.03 0.93 0.22 0.00 0.09 0.00 0.00 178.44 179.72 1cg5 h ALA 110 N 1.15 0.97 0.00 1.53 0.00 -0.62 -0.06 119.26 122.23 1cg5 h ALA 110 Ca 0.14 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 1cg5 h ALA 110 Cb 0.55 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1cg5 h ALA 110 CO 0.03 0.66 -0.46 -0.07 0.00 0.00 0.00 179.25 179.41 1cg5 h LEU 111 N 1.10 0.00 0.03 0.00 3.38 -0.88 0.39 115.31 119.34 1cg5 h LEU 111 Ca 0.24 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.15 1cg5 h LEU 111 Cb 0.32 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.08 1cg5 h LEU 111 CO -0.01 0.46 -0.24 -0.74 0.09 0.00 0.00 178.44 178.01 1cg5 h HIS 112 N 0.00 0.17 0.00 1.13 2.76 -0.87 -3.38 115.15 114.97 1cg5 h HIS 112 Ca -0.00 -0.12 -0.08 0.00 -2.20 0.00 0.00 60.37 57.97 1cg5 h HIS 112 Cb 0.83 -0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.76 1cg5 h HIS 112 CO 0.00 1.05 -1.16 1.88 -1.30 0.00 0.00 177.93 178.39 1cg5 h TYR 113 N -0.75 0.00 0.00 5.26 0.05 -1.05 -3.50 116.97 116.98 1cg5 h TYR 113 Ca -0.04 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.74 1cg5 h TYR 113 Cb 1.14 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.88 1cg5 h TYR 113 CO 0.24 0.27 0.00 1.63 -1.05 0.00 0.00 178.16 179.25 1cg5 n LYS 114 N -2.79 0.00 0.31 4.88 4.76 0.14 -2.28 118.16 123.18 1cg5 n LYS 114 Ca -0.04 0.00 0.18 0.00 -2.87 0.00 0.00 58.31 55.58 1cg5 n LYS 114 Cb 0.68 0.00 0.99 0.00 -1.84 0.00 0.00 35.03 34.86 1cg5 n LYS 114 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 1cg5 h LYS 115 N 0.00 0.00 -0.00 1.97 1.79 -1.95 -1.90 116.57 116.47 1cg5 h LYS 115 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1cg5 h LYS 115 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1cg5 h LYS 115 CO 0.00 0.02 -0.00 0.25 -1.08 0.00 0.00 179.45 178.64 1cg5 n THR 116 N -3.44 0.00 -2.21 -0.16 -2.24 -0.96 -4.11 114.28 101.15 1cg5 n THR 116 Ca -0.02 -0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.34 1cg5 n THR 116 Cb 0.12 -0.49 0.00 0.00 -2.10 0.00 0.00 70.33 67.87 1cg5 n THR 116 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1cg5 n PHE 117 N -1.36 2.84 -1.51 4.78 7.35 -0.72 -4.91 117.46 123.94 1cg5 n PHE 117 Ca 0.12 -2.80 -0.29 0.00 -0.76 0.00 0.00 57.45 53.71 1cg5 n PHE 117 Cb 0.28 -1.95 0.14 0.00 0.35 0.00 0.00 39.48 38.30 1cg5 n PHE 117 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 1cg5 s ARG 118 N 0.13 1.13 0.32 -4.13 0.52 -1.26 -4.69 118.95 110.96 1cg5 s ARG 118 Ca 0.44 0.31 0.10 0.00 -0.52 0.00 0.00 55.73 56.06 1cg5 s ARG 118 Cb 0.12 -1.84 0.91 0.00 0.52 0.00 0.00 34.95 34.66 1cg5 s ARG 118 CO -0.02 -2.21 1.70 -1.35 0.02 0.00 0.00 175.30 173.44 1cg5 h PRO 119 N -1.51 0.46 -0.34 3.54 0.11 -1.96 -1.11 132.00 131.20 1cg5 h PRO 119 Ca -0.51 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.54 1cg5 h PRO 119 Cb 1.33 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1cg5 h PRO 119 CO 0.62 0.31 0.07 0.87 -0.21 0.00 0.00 178.00 179.65 1cg5 h LYS 120 N 0.48 0.55 -0.26 1.05 1.79 -1.98 -0.83 116.57 117.37 1cg5 h LYS 120 Ca 0.65 -0.14 -0.01 0.00 -2.18 0.00 0.00 60.65 58.97 1cg5 h LYS 120 Cb 1.31 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.88 1cg5 h LYS 120 CO -0.52 0.62 0.13 0.93 -1.08 0.00 0.00 179.45 179.52 1cg5 h GLU 121 N 0.40 0.38 -0.54 3.15 3.07 -1.71 -1.93 114.58 117.39 1cg5 h GLU 121 Ca 0.11 -0.06 0.05 0.00 -0.50 0.00 0.00 59.36 58.96 1cg5 h GLU 121 Cb 0.32 -0.07 -0.05 0.00 -0.84 0.00 0.00 28.75 28.12 1cg5 h GLU 121 CO 0.00 0.38 0.27 1.25 -1.40 0.00 0.00 179.01 179.51 1cg5 h HIS 122 N 0.29 0.50 -0.76 4.33 2.76 -1.13 -0.84 115.15 120.29 1cg5 h HIS 122 Ca 0.09 0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.24 1cg5 h HIS 122 Cb 0.12 -0.14 -0.03 0.00 1.55 0.00 0.00 27.41 28.91 1cg5 h HIS 122 CO -0.02 0.23 0.30 0.00 -1.30 0.00 0.00 177.93 177.14 1cg5 h ALA 123 N 1.30 1.08 -0.30 5.26 0.00 -0.98 0.27 119.26 125.89 1cg5 h ALA 123 Ca 0.24 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1cg5 h ALA 123 Cb 0.16 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1cg5 h ALA 123 CO -0.18 0.65 0.10 0.00 0.00 0.00 0.00 179.25 179.82 1cg5 h ALA 124 N 1.20 0.40 -0.52 0.00 0.00 -0.66 -1.56 119.26 118.12 1cg5 h ALA 124 Ca 0.25 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1cg5 h ALA 124 Cb 0.22 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1cg5 h ALA 124 CO -0.02 0.03 0.14 0.00 0.00 0.00 0.00 179.25 179.40 1cg5 h ALA 125 N 0.93 0.69 -0.30 0.00 0.00 -0.88 -2.01 119.26 117.68 1cg5 h ALA 125 Ca 0.10 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.83 1cg5 h ALA 125 Cb 0.24 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1cg5 h ALA 125 CO -0.00 0.37 0.12 -0.92 0.00 0.00 0.00 179.25 178.81 1cg5 h TYR 126 N 0.72 0.22 -0.81 0.00 3.20 -0.83 -1.92 116.97 117.56 1cg5 h TYR 126 Ca 0.17 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.03 1cg5 h TYR 126 Cb 0.31 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.49 1cg5 h TYR 126 CO 0.02 0.11 0.42 -0.22 -1.64 0.00 0.00 178.16 176.85 1cg5 h LYS 127 N 0.27 1.14 0.07 1.82 3.64 -1.13 -1.77 116.57 120.61 1cg5 h LYS 127 Ca 0.13 -0.15 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1cg5 h LYS 127 Cb 0.08 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 31.68 1cg5 h LYS 127 CO -0.12 0.86 -0.05 0.35 -2.27 0.00 0.00 179.45 178.23 1cg5 h PHE 128 N 1.13 -0.12 0.00 1.91 3.57 -1.00 -0.74 116.94 121.69 1cg5 h PHE 128 Ca 0.28 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.77 1cg5 h PHE 128 Cb 0.07 0.04 -0.00 0.00 2.79 0.00 0.00 35.95 38.85 1cg5 h PHE 128 CO 0.01 -0.07 -0.07 0.74 -2.23 0.00 0.00 178.31 176.68 1cg5 h PHE 129 N -0.11 0.00 -0.12 0.41 0.04 -1.19 -1.35 116.94 114.61 1cg5 h PHE 129 Ca -0.00 0.00 -0.23 0.00 2.80 0.00 0.00 57.97 60.54 1cg5 h PHE 129 Cb 0.10 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.26 1cg5 h PHE 129 CO -0.09 0.07 -0.82 0.00 -0.60 0.00 0.00 178.31 176.87 1cg5 h ARG 130 N 0.00 0.75 -0.46 1.51 2.47 -0.72 -1.83 114.38 116.10 1cg5 h ARG 130 Ca -0.00 -0.64 -0.03 0.00 -1.26 0.00 0.00 59.98 58.05 1cg5 h ARG 130 Cb 0.39 0.14 -0.02 0.00 -1.65 0.00 0.00 29.97 28.84 1cg5 h ARG 130 CO 0.01 1.25 0.19 1.25 0.56 0.00 0.00 179.97 183.23 1cg5 h LEU 131 N 0.50 0.63 -0.34 3.04 6.46 -0.46 -0.80 115.31 124.33 1cg5 h LEU 131 Ca -0.06 -0.16 -0.02 0.00 -0.12 0.00 0.00 57.88 57.52 1cg5 h LEU 131 Cb 1.45 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 41.21 1cg5 h LEU 131 CO 0.17 0.62 0.14 0.58 -0.62 0.00 0.00 178.44 179.33 1cg5 h VAL 132 N 0.60 1.18 -0.63 1.05 2.07 -1.26 -0.01 116.25 119.25 1cg5 h VAL 132 Ca 0.15 -0.53 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 1cg5 h VAL 132 Cb 0.18 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 1cg5 h VAL 132 CO -0.01 0.19 0.35 0.00 0.02 0.00 0.00 177.57 178.11 1cg5 h ALA 133 N 0.99 0.81 -0.49 1.67 0.00 -1.20 -0.45 119.26 120.60 1cg5 h ALA 133 Ca 0.11 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1cg5 h ALA 133 Cb 0.16 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1cg5 h ALA 133 CO -0.01 0.33 0.16 1.49 0.00 0.00 0.00 179.25 181.22 1cg5 h GLU 134 N 0.86 0.76 -0.68 0.00 4.81 -0.94 -1.82 114.58 117.57 1cg5 h GLU 134 Ca 0.22 -0.16 -0.06 0.00 -0.13 0.00 0.00 59.36 59.24 1cg5 h GLU 134 Cb 0.04 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.28 1cg5 h GLU 134 CO -0.04 0.71 0.20 0.00 -0.73 0.00 0.00 179.01 179.16 1cg5 h ALA 135 N 1.02 0.90 0.00 2.92 0.00 -0.64 -1.63 119.26 121.82 1cg5 h ALA 135 Ca 0.16 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1cg5 h ALA 135 Cb 0.26 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1cg5 h ALA 135 CO -0.01 0.58 -0.14 -0.07 0.00 0.00 0.00 179.25 179.62 1cg5 h LEU 136 N 1.00 0.00 0.00 0.00 3.38 -0.93 -3.11 115.31 115.66 1cg5 h LEU 136 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1cg5 h LEU 136 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1cg5 h LEU 136 CO -0.01 0.14 -1.11 -1.20 0.09 0.00 0.00 178.44 176.35 1cg5 n SER 137 N -3.31 0.61 -0.06 -0.43 7.64 -0.70 -4.52 113.62 112.85 1cg5 n SER 137 Ca 0.00 -0.32 0.03 0.00 1.01 0.00 0.00 58.87 59.59 1cg5 n SER 137 Cb 0.37 0.94 0.37 0.00 -1.01 0.00 0.00 64.21 64.88 1cg5 n SER 137 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1cg5 h SER 138 N 0.00 0.58 -0.66 6.43 4.64 -1.23 -3.01 113.55 120.30 1cg5 h SER 138 Ca 0.00 -0.02 -0.29 0.00 -0.47 0.00 0.00 61.79 61.01 1cg5 h SER 138 Cb 0.72 -0.14 -0.17 0.00 -0.31 0.00 0.00 62.40 62.49 1cg5 h SER 138 CO 0.00 0.43 0.37 -3.20 -0.87 0.00 0.00 176.83 173.56 1cg5 n ASN 139 N -4.45 3.78 -4.68 4.97 4.05 -1.26 -4.87 115.26 112.79 1cg5 n ASN 139 Ca 0.04 -3.07 -0.38 0.00 0.45 0.00 0.00 54.58 51.62 1cg5 n ASN 139 Cb 0.06 -0.72 -0.07 0.00 1.23 0.00 0.00 39.78 40.28 1cg5 n ASN 139 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 177.26 173.90 1cg5 s TYR 140 N -2.40 3.41 0.00 1.20 1.51 -1.14 -4.24 117.35 115.69 1cg5 s TYR 140 Ca 0.42 0.71 0.00 0.00 -1.01 0.00 0.00 57.07 57.19 1cg5 s TYR 140 Cb 0.34 -2.56 0.00 0.00 -0.11 0.00 0.00 41.96 39.64 1cg5 s TYR 140 CO 0.09 0.02 0.31 0.72 -1.11 0.00 0.00 175.55 175.57