#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbe n LYS 2 N 0.00 0.00 0.00 0.00 0.00 -1.26 -4.83 118.16 112.07 2qbe n LYS 2 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2qbe n LYS 2 Cb 0.00 -0.16 0.00 0.00 -0.00 0.00 0.00 35.03 34.87 2qbe n LYS 2 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2qbe n THR 3 N 0.00 0.00 -1.41 0.58 -2.24 -1.26 -4.67 114.28 105.27 2qbe n THR 3 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2qbe n THR 3 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 2qbe n THR 3 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 2qbe n ILE 4 N -0.09 -4.75 -4.10 2.28 2.08 -1.25 -3.11 119.36 110.42 2qbe n ILE 4 Ca 0.00 2.09 -0.33 0.00 0.56 0.00 0.00 62.75 65.07 2qbe n ILE 4 Cb 0.00 -2.89 -0.16 0.00 -0.75 0.00 0.00 39.64 35.84 2qbe n ILE 4 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 2qbe s LYS 5 N -3.48 2.95 0.75 0.38 1.02 -0.94 -2.12 119.74 118.29 2qbe s LYS 5 Ca 0.00 -0.86 -0.04 0.00 0.02 0.00 0.00 55.97 55.09 2qbe s LYS 5 Cb 0.00 -2.63 0.13 0.00 -0.52 0.00 0.00 37.83 34.82 2qbe s LYS 5 CO 0.00 -0.24 1.04 0.42 -0.92 0.00 0.00 175.35 175.65 2qbe s ILE 6 N 1.29 2.14 -0.18 2.17 -1.09 0.11 -2.52 121.20 123.12 2qbe s ILE 6 Ca 0.04 -0.48 -0.27 0.00 -2.23 0.00 0.00 60.65 57.71 2qbe s ILE 6 Cb -0.14 -2.67 0.07 0.00 -1.58 0.00 0.00 42.46 38.15 2qbe s ILE 6 CO -0.12 0.00 0.69 -0.89 -1.23 0.00 0.00 174.94 173.40 2qbe s THR 7 N -3.26 0.00 0.26 2.92 2.01 -1.21 -2.45 115.64 113.91 2qbe s THR 7 Ca 0.67 -0.01 -0.00 0.00 0.31 0.00 0.00 61.69 62.66 2qbe s THR 7 Cb -0.06 -0.99 0.06 0.00 0.01 0.00 0.00 72.50 71.53 2qbe s THR 7 CO 0.46 -0.00 1.70 -0.61 -0.69 0.00 0.00 174.62 175.47 2qbe h GLN 8 N 4.22 0.61 0.00 4.92 5.75 -1.80 -3.26 115.11 125.56 2qbe h GLN 8 Ca -0.28 -0.23 0.00 0.00 -0.15 0.00 0.00 58.65 57.99 2qbe h GLN 8 Cb 1.15 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 29.66 2qbe h GLN 8 CO 0.19 0.78 0.00 2.41 -2.65 0.00 0.00 178.83 179.56 2qbe n THR 9 N -4.13 0.00 -4.16 2.39 -1.04 -1.24 -4.01 114.28 102.08 2qbe n THR 9 Ca 0.00 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 61.78 2qbe n THR 9 Cb 0.40 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.84 2qbe n THR 9 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2qbe s ARG 10 N 0.00 2.28 0.56 -2.82 0.52 -1.26 -4.90 118.95 113.33 2qbe s ARG 10 Ca 0.00 -1.62 -0.17 0.00 -0.52 0.00 0.00 55.73 53.42 2qbe s ARG 10 Cb 0.00 -2.09 -0.05 0.00 0.52 0.00 0.00 34.95 33.32 2qbe s ARG 10 CO 0.00 0.10 1.05 0.45 0.02 0.00 0.00 175.30 176.92 2qbe s SER 11 N -3.82 5.99 -0.42 0.23 0.15 -1.26 -4.88 113.70 109.70 2qbe s SER 11 Ca 0.37 1.83 0.05 0.00 0.70 0.00 0.00 55.95 58.91 2qbe s SER 11 Cb -0.01 -2.54 0.43 0.00 -1.71 0.00 0.00 66.02 62.18 2qbe s SER 11 CO 0.22 -1.02 1.16 0.00 1.20 0.00 0.00 173.24 174.79 2qbe n ALA 12 N -1.71 5.10 -0.03 5.45 0.00 -1.26 -4.81 120.51 123.25 2qbe n ALA 12 Ca 0.09 -4.20 -0.15 0.00 0.00 0.00 0.00 53.44 49.17 2qbe n ALA 12 Cb 0.53 -0.54 -0.13 0.00 0.00 0.00 0.00 19.45 19.31 2qbe n ALA 12 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2qbe h ILE 13 N 2.47 1.66 -0.33 0.00 2.04 -2.01 -3.37 117.51 117.96 2qbe h ILE 13 Ca 0.32 -2.19 0.00 0.00 1.00 0.00 0.00 64.86 63.99 2qbe h ILE 13 Cb 1.03 3.11 0.00 0.00 -0.74 0.00 0.00 36.82 40.22 2qbe h ILE 13 CO 0.85 0.59 0.00 0.61 0.00 0.00 0.00 178.15 180.20 2qbe n GLY 14 N 1.37 3.79 3.79 5.37 0.00 -1.26 -5.02 105.19 113.23 2qbe n GLY 14 Ca -0.10 -1.01 -0.29 0.00 0.00 0.00 0.00 46.02 44.61 2qbe n GLY 14 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qbe s ARG 15 N -2.78 1.59 0.64 1.61 3.00 -1.26 -5.01 118.95 116.74 2qbe s ARG 15 Ca 0.45 0.49 -0.18 0.00 0.00 0.00 0.00 55.73 56.49 2qbe s ARG 15 Cb 0.35 -1.87 -0.01 0.00 0.00 0.00 0.00 34.95 33.42 2qbe s ARG 15 CO 0.11 -1.93 1.24 -0.51 0.00 0.00 0.00 175.30 174.21 2qbe s LEU 16 N -5.93 3.56 0.48 2.53 2.01 -1.26 -4.81 118.68 115.26 2qbe s LEU 16 Ca 0.62 2.47 0.17 0.00 0.01 0.00 0.00 54.13 57.41 2qbe s LEU 16 Cb -0.15 -4.60 1.18 0.00 0.01 0.00 0.00 46.19 42.63 2qbe s LEU 16 CO 0.54 -1.90 2.04 -0.65 1.01 0.00 0.00 176.35 177.40 2qbe h PRO 17 N 0.50 0.19 0.00 1.29 0.11 -1.99 -0.14 132.00 131.96 2qbe h PRO 17 Ca -0.50 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.53 2qbe h PRO 17 Cb 1.31 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 2qbe h PRO 17 CO 0.53 0.13 -0.34 0.87 -0.21 0.00 0.00 178.00 178.98 2qbe h LYS 18 N 0.20 0.00 0.31 1.05 1.57 -1.98 -2.43 116.57 115.29 2qbe h LYS 18 Ca 0.18 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.94 2qbe h LYS 18 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 2qbe h LYS 18 CO -0.03 0.34 -0.15 0.45 -0.57 0.00 0.00 179.45 179.49 2qbe h HIS 19 N 0.00 -0.39 -0.33 -1.35 3.86 -1.39 -1.21 115.15 114.34 2qbe h HIS 19 Ca -0.00 -0.01 0.10 0.00 -1.16 0.00 0.00 60.37 59.29 2qbe h HIS 19 Cb 1.11 0.13 -0.01 0.00 1.06 0.00 0.00 27.41 29.70 2qbe h HIS 19 CO 0.00 -0.09 0.35 0.87 0.86 0.00 0.00 177.93 179.92 2qbe h LYS 20 N -1.01 0.00 0.38 2.45 1.57 -1.46 0.72 116.57 119.22 2qbe h LYS 20 Ca -0.04 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 2qbe h LYS 20 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 2qbe h LYS 20 CO 0.07 0.00 -0.18 0.00 -0.57 0.00 0.00 179.45 178.77 2qbe h ALA 21 N 1.61 -0.51 -0.52 3.86 0.00 -1.22 -1.77 119.26 120.72 2qbe h ALA 21 Ca 0.16 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.89 2qbe h ALA 21 Cb 0.85 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 2qbe h ALA 21 CO -0.00 -0.58 0.33 1.79 0.00 0.00 0.00 179.25 180.79 2qbe h THR 22 N -0.91 1.11 -1.14 0.00 1.35 0.26 -0.35 112.91 113.23 2qbe h THR 22 Ca -0.05 -0.23 0.32 0.00 -0.55 0.00 0.00 66.41 65.90 2qbe h THR 22 Cb 0.54 0.38 -0.09 0.00 -1.73 0.00 0.00 68.15 67.25 2qbe h THR 22 CO 0.08 0.12 0.75 0.25 -0.25 0.00 0.00 175.52 176.48 2qbe h LEU 23 N 0.68 0.31 0.03 3.87 7.12 0.40 0.33 115.31 128.04 2qbe h LEU 23 Ca 0.19 0.08 -0.00 0.00 0.13 0.00 0.00 57.88 58.28 2qbe h LEU 23 Cb -0.05 0.03 0.00 0.00 -0.53 0.00 0.00 40.66 40.11 2qbe h LEU 23 CO -0.06 0.01 -0.01 0.25 -0.13 0.00 0.00 178.44 178.50 2qbe h LEU 24 N 0.25 -0.03 -0.95 2.25 5.85 -0.14 -2.82 115.31 119.72 2qbe h LEU 24 Ca 0.64 -0.41 0.14 0.00 0.84 0.00 0.00 57.88 59.09 2qbe h LEU 24 Cb 1.91 0.01 -0.09 0.00 0.37 0.00 0.00 40.66 42.86 2qbe h LEU 24 CO -0.26 0.40 0.57 1.23 -0.34 0.00 0.00 178.44 180.04 2qbe h GLY 25 N -0.47 1.59 1.89 3.75 0.00 -0.08 0.60 103.07 110.35 2qbe h GLY 25 Ca -0.00 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 46.97 2qbe h GLY 25 CO 0.01 0.05 0.00 1.04 0.00 0.00 0.00 176.54 177.63 2qbe n LEU 26 N -4.73 0.00 0.00 3.11 4.77 -0.59 -4.85 117.00 114.70 2qbe n LEU 26 Ca 0.19 0.44 0.00 0.00 -0.03 0.00 0.00 56.01 56.62 2qbe n LEU 26 Cb 0.43 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 2qbe n LEU 26 CO 0.24 -0.16 0.00 0.61 -1.33 0.00 0.00 177.39 176.75 2qbe n GLY 27 N 0.39 1.16 3.66 -0.72 0.00 0.21 -4.88 105.19 105.00 2qbe n GLY 27 Ca 0.06 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.59 2qbe n GLY 27 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qbe n LEU 28 N 0.00 2.84 0.00 0.99 4.77 -1.08 -4.91 117.00 119.61 2qbe n LEU 28 Ca 0.00 1.06 0.00 0.00 -0.03 0.00 0.00 56.01 57.04 2qbe n LEU 28 Cb 0.00 -1.35 0.00 0.00 -2.33 0.00 0.00 43.42 39.74 2qbe n LEU 28 CO 0.00 -0.39 0.00 0.54 -1.33 0.00 0.00 177.39 176.21 2qbe n ARG 29 N 4.12 0.00 -1.76 3.23 1.74 -1.26 -4.70 116.66 118.03 2qbe n ARG 29 Ca 0.19 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.97 2qbe n ARG 29 Cb 0.26 -0.10 0.22 0.00 -1.02 0.00 0.00 32.46 31.81 2qbe n ARG 29 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2qbe s ARG 30 N -0.60 -0.07 -0.02 5.56 0.52 -1.26 -4.92 118.95 118.16 2qbe s ARG 30 Ca 0.00 -0.46 0.02 0.00 -0.52 0.00 0.00 55.73 54.77 2qbe s ARG 30 Cb 0.00 -1.77 0.08 0.00 0.52 0.00 0.00 34.95 33.79 2qbe s ARG 30 CO 0.00 -2.88 0.80 0.44 0.02 0.00 0.00 175.30 173.68 2qbe n ILE 31 N -4.08 0.23 -1.91 1.52 -5.35 -1.26 -3.22 119.36 105.29 2qbe n ILE 31 Ca 0.17 -0.14 0.00 0.00 -0.27 0.00 0.00 62.75 62.51 2qbe n ILE 31 Cb 0.59 -0.28 0.00 0.00 -1.74 0.00 0.00 39.64 38.22 2qbe n ILE 31 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2qbe n GLY 32 N 0.28 0.61 0.00 3.28 0.00 -1.26 -3.70 105.19 104.40 2qbe n GLY 32 Ca 0.03 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.05 2qbe n GLY 32 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2qbe h HIS 33 N 0.00 -0.00 -4.46 1.61 2.76 -1.91 -3.44 115.15 109.71 2qbe h HIS 33 Ca 0.00 0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.18 2qbe h HIS 33 Cb 1.03 0.00 -0.08 0.00 1.55 0.00 0.00 27.41 29.91 2qbe h HIS 33 CO -0.10 -0.00 -1.16 2.41 -1.30 0.00 0.00 177.93 177.78 2qbe n THR 34 N -2.97-10.94 -4.52 6.26 -1.04 -1.25 -4.95 114.28 94.87 2qbe n THR 34 Ca 0.00 2.29 -0.25 0.00 -2.04 0.00 0.00 64.05 64.06 2qbe n THR 34 Cb 0.00 -5.81 -0.11 0.00 -1.82 0.00 0.00 70.33 62.59 2qbe n THR 34 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2qbe s VAL 35 N -0.51 1.92 -0.20 12.58 0.11 -1.03 -4.88 120.40 128.39 2qbe s VAL 35 Ca -0.18 -2.12 -0.06 0.00 -2.93 0.00 0.00 61.98 56.69 2qbe s VAL 35 Cb 0.01 -2.67 -0.03 0.00 -1.53 0.00 0.00 36.38 32.16 2qbe s VAL 35 CO 0.48 -0.17 0.02 -0.70 -3.33 0.00 0.00 175.10 171.39 2qbe s GLU 36 N -3.69 3.69 0.00 1.54 2.12 -1.26 0.05 118.70 121.15 2qbe s GLU 36 Ca 0.32 -0.48 0.00 0.00 0.36 0.00 0.00 54.97 55.17 2qbe s GLU 36 Cb 0.05 -3.13 0.00 0.00 0.26 0.00 0.00 34.13 31.31 2qbe s GLU 36 CO 0.15 0.05 0.00 -2.13 -0.54 0.00 0.00 175.26 172.79 2qbe n ARG 37 N 4.16 3.53 0.00 4.30 3.00 -0.90 -5.02 116.66 125.73 2qbe n ARG 37 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.68 2qbe n ARG 37 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.98 2qbe n ARG 37 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2qbe n GLU 38 N 0.00 3.34 -2.26 -0.14 4.71 -1.18 -4.39 120.64 120.72 2qbe n GLU 38 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 57.16 57.16 2qbe n GLU 38 Cb 0.00 0.00 0.04 0.00 -1.01 0.00 0.00 31.44 30.47 2qbe n GLU 38 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 2qbe n ASP 39 N 0.00 0.97 -4.83 1.62 -0.08 -1.26 -4.07 116.55 108.91 2qbe n ASP 39 Ca 0.00 -2.03 -0.36 0.00 -1.51 0.00 0.00 54.79 50.89 2qbe n ASP 39 Cb 0.00 -0.27 -0.06 0.00 2.34 0.00 0.00 41.12 43.13 2qbe n ASP 39 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 2qbe s THR 40 N -1.94 4.71 0.57 5.18 2.01 -1.26 -4.86 115.64 120.05 2qbe s THR 40 Ca 0.26 1.08 0.33 0.00 0.31 0.00 0.00 61.69 63.68 2qbe s THR 40 Cb 0.34 -3.82 0.48 0.00 0.01 0.00 0.00 72.50 69.51 2qbe s THR 40 CO -0.09 0.28 1.76 -0.65 -0.69 0.00 0.00 174.62 175.22 2qbe h PRO 41 N 3.65 0.00 0.43 4.92 0.11 -1.99 0.19 132.00 139.31 2qbe h PRO 41 Ca -0.48 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 2qbe h PRO 41 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2qbe h PRO 41 CO 0.65 0.00 -0.21 0.00 -0.21 0.00 0.00 178.00 178.24 2qbe h ALA 42 N 1.28 -0.57 -0.07 -0.75 0.00 -1.97 0.40 119.26 117.58 2qbe h ALA 42 Ca 0.45 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 2qbe h ALA 42 Cb 2.06 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 20.06 2qbe h ALA 42 CO -0.00 -0.64 -0.07 0.97 0.00 0.00 0.00 179.25 179.50 2qbe h ILE 43 N -0.94 1.10 0.00 0.00 6.09 -1.38 0.28 117.51 122.66 2qbe h ILE 43 Ca -0.06 -0.44 0.00 0.00 -1.37 0.00 0.00 64.86 63.00 2qbe h ILE 43 Cb 0.56 1.13 0.00 0.00 0.47 0.00 0.00 36.82 38.99 2qbe h ILE 43 CO 0.10 0.13 0.00 -1.14 -3.07 0.00 0.00 178.15 174.17 2qbe n ARG 44 N -4.39 0.16 0.05 2.19 3.00 0.48 -3.20 116.66 114.95 2qbe n ARG 44 Ca -0.02 0.14 -0.15 0.00 -0.00 0.00 0.00 57.85 57.82 2qbe n ARG 44 Cb 0.19 -1.69 -0.14 0.00 0.00 0.00 0.00 32.46 30.81 2qbe n ARG 44 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 2qbe h GLY 45 N 4.64 0.22 1.89 5.14 0.00 0.34 -3.28 103.07 112.02 2qbe h GLY 45 Ca 0.00 -0.55 -0.06 0.00 0.00 0.00 0.00 47.33 46.71 2qbe h GLY 45 CO 0.00 0.49 -0.23 -0.33 0.00 0.00 0.00 176.54 176.46 2qbe h MET 46 N 0.05 0.13 0.36 4.80 2.86 -1.24 -2.91 114.93 118.98 2qbe h MET 46 Ca -0.24 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.35 2qbe h MET 46 Cb 1.99 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 33.64 2qbe h MET 46 CO 0.14 0.36 -0.17 0.82 1.06 0.00 0.00 176.91 179.13 2qbe h ILE 47 N 0.12 0.66 -0.94 -1.22 1.08 -1.63 -2.97 117.51 112.61 2qbe h ILE 47 Ca 0.02 -0.19 0.19 0.00 -0.39 0.00 0.00 64.86 64.49 2qbe h ILE 47 Cb 0.49 0.76 -0.18 0.00 -3.07 0.00 0.00 36.82 34.82 2qbe h ILE 47 CO 0.03 0.04 -0.24 -1.13 -0.69 0.00 0.00 178.15 176.17 2qbe h ASN 48 N -0.58 -0.88 0.00 1.72 -0.00 -1.57 0.45 115.58 114.71 2qbe h ASN 48 Ca -0.05 0.28 0.00 0.00 -0.00 0.00 0.00 56.30 56.53 2qbe h ASN 48 Cb 0.43 0.59 0.00 0.00 -0.00 0.00 0.00 38.32 39.33 2qbe h ASN 48 CO 0.08 -0.31 0.00 0.00 -0.00 0.00 0.00 177.43 177.20 2qbe n ALA 49 N -3.54 0.00 0.05 1.57 0.00 -1.13 -2.54 120.51 114.93 2qbe n ALA 49 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 2qbe n ALA 49 Cb 0.47 0.08 0.00 0.00 0.00 0.00 0.00 19.45 20.00 2qbe n ALA 49 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2qbe n VAL 50 N -0.63 1.44 -0.12 0.00 0.24 -1.07 -4.28 118.33 113.92 2qbe n VAL 50 Ca 0.00 -0.28 0.02 0.00 -2.04 0.00 0.00 64.34 62.05 2qbe n VAL 50 Cb 0.00 -1.26 0.33 0.00 -1.47 0.00 0.00 33.84 31.45 2qbe n VAL 50 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 2qbe h SER 51 N 0.92 0.67 0.26 -1.34 4.64 0.19 0.21 113.55 119.10 2qbe h SER 51 Ca 0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 2qbe h SER 51 Cb 0.89 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 2qbe h SER 51 CO 0.00 0.48 0.00 2.22 -0.87 0.00 0.00 176.83 178.66 2qbe n PHE 52 N -4.45 0.00 -1.69 4.77 -1.74 -1.26 -2.26 117.46 110.82 2qbe n PHE 52 Ca 0.06 0.00 0.06 0.00 -0.56 0.00 0.00 57.45 57.01 2qbe n PHE 52 Cb 0.06 -0.26 0.15 0.00 1.52 0.00 0.00 39.48 40.94 2qbe n PHE 52 CO 0.00 0.00 0.00 -1.33 -0.56 0.00 0.00 176.76 174.87 2qbe n MET 53 N -1.26 1.11 -3.99 3.97 2.81 0.73 -4.63 117.12 115.86 2qbe n MET 53 Ca 0.07 -2.75 -0.10 0.00 -1.81 0.00 0.00 57.70 53.12 2qbe n MET 53 Cb 0.11 -1.21 -0.04 0.00 -0.71 0.00 0.00 33.22 31.37 2qbe n MET 53 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 2qbe s VAL 54 N -2.32 0.00 -0.09 2.03 -7.23 -0.96 -3.81 120.40 108.01 2qbe s VAL 54 Ca 0.33 -1.37 -0.07 0.00 -1.81 0.00 0.00 61.98 59.06 2qbe s VAL 54 Cb 0.33 -2.28 0.03 0.00 0.56 0.00 0.00 36.38 35.02 2qbe s VAL 54 CO -0.06 0.00 0.23 -0.54 -0.31 0.00 0.00 175.10 174.42 2qbe s LYS 55 N -3.79 0.24 0.07 4.82 1.02 -1.23 -4.90 119.74 115.97 2qbe s LYS 55 Ca 0.22 0.40 0.00 0.00 0.02 0.00 0.00 55.97 56.61 2qbe s LYS 55 Cb -0.01 0.03 -0.04 0.00 -0.52 0.00 0.00 37.83 37.29 2qbe s LYS 55 CO 0.10 -0.08 0.20 0.08 -0.92 0.00 0.00 175.35 174.73 2qbe s VAL 56 N 0.56 5.30 -0.18 3.17 1.01 -1.26 -3.30 120.40 125.70 2qbe s VAL 56 Ca -0.04 -0.45 -0.03 0.00 0.00 0.00 0.00 61.98 61.46 2qbe s VAL 56 Cb -0.05 -3.60 0.06 0.00 0.00 0.00 0.00 36.38 32.79 2qbe s VAL 56 CO -0.03 0.12 0.05 -1.61 0.00 0.00 0.00 175.10 173.63 2qbe s GLU 57 N -2.55 0.43 0.00 2.72 0.41 -1.05 -4.92 118.70 113.74 2qbe s GLU 57 Ca 0.34 -0.26 0.25 0.00 -0.41 0.00 0.00 54.97 54.89 2qbe s GLU 57 Cb -0.13 -1.91 0.35 0.00 -1.78 0.00 0.00 34.13 30.66 2qbe s GLU 57 CO 0.27 -0.62 1.35 0.39 -0.49 0.00 0.00 175.26 176.16