#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbf n ARG 2 N 0.00 0.00 0.00 0.00 5.12 -1.26 -5.00 116.66 115.52 2qbf n ARG 2 Ca 0.00 -0.54 0.00 0.00 -1.93 0.00 0.00 57.85 55.38 2qbf n ARG 2 Cb 0.00 -0.31 0.00 0.00 -1.16 0.00 0.00 32.46 30.99 2qbf n ARG 2 CO 0.00 0.00 0.00 0.98 -1.93 0.00 0.00 177.63 176.68 2qbf n TYR 3 N 0.00 0.00 -3.73 -1.55 9.36 -1.26 -4.79 117.16 115.20 2qbf n TYR 3 Ca 0.00 0.00 -0.27 0.00 3.32 0.00 0.00 57.90 60.95 2qbf n TYR 3 Cb 0.59 0.00 0.03 0.00 -0.63 0.00 0.00 39.34 39.33 2qbf n TYR 3 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 2qbf n LEU 4 N 0.00 -2.91 0.00 2.98 4.32 -1.26 -4.99 117.00 115.14 2qbf n LEU 4 Ca 0.00 -0.96 -0.01 0.00 -0.02 0.00 0.00 56.01 55.03 2qbf n LEU 4 Cb 0.00 -2.46 -0.00 0.00 -1.62 0.00 0.00 43.42 39.34 2qbf n LEU 4 CO 0.00 0.43 -0.00 0.61 -1.22 0.00 0.00 177.39 177.21 2qbf n GLY 5 N -1.71 4.02 3.55 -0.72 0.00 -1.26 -5.07 105.19 104.01 2qbf n GLY 5 Ca -0.19 -1.75 -0.32 0.00 0.00 0.00 0.00 46.02 43.77 2qbf n GLY 5 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2qbf s PRO 6 N -2.05 2.24 0.49 1.61 0.04 -1.26 -4.83 135.00 131.25 2qbf s PRO 6 Ca 0.01 0.78 0.20 0.00 0.04 0.00 0.00 61.00 62.03 2qbf s PRO 6 Cb 0.00 -4.62 1.24 0.00 0.04 0.00 0.00 34.50 31.16 2qbf s PRO 6 CO 0.01 -3.31 2.01 0.87 0.04 0.00 0.00 177.00 176.61 2qbf h LYS 7 N 15.95 0.15 -0.33 4.56 1.57 -1.97 -2.17 116.57 134.32 2qbf h LYS 7 Ca -0.16 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.58 2qbf h LYS 7 Cb 1.16 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.42 2qbf h LYS 7 CO 1.16 0.10 0.08 -0.07 -0.57 0.00 0.00 179.45 180.15 2qbf h LEU 8 N 0.15 0.50 -0.77 2.94 -0.00 -1.94 -3.06 115.31 113.13 2qbf h LEU 8 Ca 0.23 -0.23 0.18 0.00 -0.00 0.00 0.00 57.88 58.06 2qbf h LEU 8 Cb 0.70 -0.13 -0.14 0.00 -0.00 0.00 0.00 40.66 41.10 2qbf h LEU 8 CO -0.03 0.59 -0.02 0.50 -0.00 0.00 0.00 178.44 179.48 2qbf h LYS 9 N 0.37 0.08 0.41 1.13 3.64 -1.79 0.23 116.57 120.63 2qbf h LYS 9 Ca 0.10 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 2qbf h LYS 9 Cb 0.29 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 2qbf h LYS 9 CO 0.00 0.05 -0.26 -0.07 -2.27 0.00 0.00 179.45 176.91 2qbf h LEU 10 N 0.08 -0.64 -0.44 5.20 3.38 -1.60 -0.49 115.31 120.80 2qbf h LEU 10 Ca 0.42 0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.49 2qbf h LEU 10 Cb 0.73 0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.62 2qbf h LEU 10 CO -0.70 -0.40 0.14 0.28 0.09 0.00 0.00 178.44 177.85 2qbf h SER 11 N -0.64 0.13 -0.71 -0.43 0.02 -1.13 -1.72 113.55 109.07 2qbf h SER 11 Ca -0.04 0.06 0.02 0.00 -0.84 0.00 0.00 61.79 60.98 2qbf h SER 11 Cb 0.53 0.05 -0.04 0.00 0.14 0.00 0.00 62.40 63.08 2qbf h SER 11 CO 0.04 0.10 0.46 -0.09 -1.14 0.00 0.00 176.83 176.20 2qbf h ARG 12 N 0.30 0.89 0.67 3.45 2.43 -0.44 -0.27 114.38 121.41 2qbf h ARG 12 Ca 0.21 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.30 2qbf h ARG 12 Cb 0.22 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 2qbf h ARG 12 CO -0.23 0.59 -0.43 -0.09 -1.51 0.00 0.00 179.97 178.30 2qbf h ARG 13 N 0.91 -1.00 -0.04 0.20 9.65 -0.42 -2.12 114.38 121.55 2qbf h ARG 13 Ca 0.28 0.07 0.01 0.00 -1.10 0.00 0.00 59.98 59.24 2qbf h ARG 13 Cb -0.04 0.23 -0.00 0.00 -1.39 0.00 0.00 29.97 28.77 2qbf h ARG 13 CO -0.09 -0.67 0.05 0.93 2.80 0.00 0.00 179.97 182.99 2qbf h GLU 14 N -1.04 0.00 -0.04 0.20 4.39 -1.21 -3.46 114.58 113.42 2qbf h GLU 14 Ca -0.09 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.61 2qbf h GLU 14 Cb 0.85 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.50 2qbf h GLU 14 CO 0.08 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.34 2qbf n GLY 15 N -1.34 0.81 3.42 -3.84 0.00 -0.21 -5.06 105.19 98.97 2qbf n GLY 15 Ca -0.02 -0.64 -0.12 0.00 0.00 0.00 0.00 46.02 45.23 2qbf n GLY 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qbf s THR 16 N -2.04 0.01 -0.77 2.61 2.01 -0.64 -4.81 115.64 112.01 2qbf s THR 16 Ca 0.00 -0.08 -0.26 0.00 0.31 0.00 0.00 61.69 61.66 2qbf s THR 16 Cb 0.00 -1.02 0.04 0.00 0.01 0.00 0.00 72.50 71.53 2qbf s THR 16 CO 0.00 -0.04 1.25 -0.62 -0.69 0.00 0.00 174.62 174.51 2qbf s ASP 17 N -2.57 6.21 0.00 3.53 2.15 -1.26 -4.31 116.67 120.43 2qbf s ASP 17 Ca -0.00 -0.70 0.05 0.00 0.43 0.00 0.00 52.55 52.33 2qbf s ASP 17 Cb -0.01 -2.53 0.30 0.00 -0.30 0.00 0.00 42.92 40.38 2qbf s ASP 17 CO -0.10 -1.72 0.86 0.18 -0.17 0.00 0.00 175.17 174.22 2qbf n LEU 18 N 8.98 0.00 0.00 -1.34 4.32 -1.26 -4.80 117.00 122.91 2qbf n LEU 18 Ca 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.05 2qbf n LEU 18 Cb 0.49 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.29 2qbf n LEU 18 CO 0.69 0.00 0.00 0.49 -1.22 0.00 0.00 177.39 177.35 2qbf n PHE 19 N -0.63 0.00 -0.00 -1.77 3.72 -1.26 -4.79 117.46 112.72 2qbf n PHE 19 Ca 0.04 0.00 0.23 0.00 -0.05 0.00 0.00 57.45 57.67 2qbf n PHE 19 Cb 0.02 -0.89 0.67 0.00 -0.94 0.00 0.00 39.48 38.34 2qbf n PHE 19 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 2qbf h LEU 20 N 0.00 0.00 -5.39 4.37 3.38 -1.89 0.73 115.31 116.51 2qbf h LEU 20 Ca 0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 2qbf h LEU 20 Cb 0.00 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 40.34 2qbf h LEU 20 CO 0.00 0.00 -0.94 1.17 0.09 0.00 0.00 178.44 178.76 2qbf n LYS 21 N -3.59 2.15 0.00 1.13 3.00 -1.26 -4.88 118.16 114.70 2qbf n LYS 21 Ca 0.12 -4.05 0.00 0.00 -0.00 0.00 0.00 58.31 54.39 2qbf n LYS 21 Cb 0.88 -1.90 0.00 0.00 0.00 0.00 0.00 35.03 34.01 2qbf n LYS 21 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 2qbf n SER 22 N -0.07 0.02 -4.67 3.14 7.64 0.25 -4.83 113.62 115.10 2qbf n SER 22 Ca 0.27 -0.02 -0.44 0.00 1.01 0.00 0.00 58.87 59.69 2qbf n SER 22 Cb 0.59 -0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.77 2qbf n SER 22 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qbf n GLY 23 N 0.82 0.50 0.41 0.23 0.00 -1.26 -4.87 105.19 101.02 2qbf n GLY 23 Ca 0.00 0.37 -0.10 0.00 0.00 0.00 0.00 46.02 46.29 2qbf n GLY 23 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2qbf h VAL 24 N 2.60 0.06 -0.77 1.61 -1.51 -2.00 -3.40 116.25 112.84 2qbf h VAL 24 Ca -0.45 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.02 2qbf h VAL 24 Cb 1.29 0.06 0.00 0.00 -2.13 0.00 0.00 31.29 30.51 2qbf h VAL 24 CO 0.66 0.00 0.00 -2.11 -1.23 0.00 0.00 177.57 174.89 2qbf n ARG 25 N -5.39 0.64 0.00 5.19 -4.01 -1.26 -4.55 116.66 107.28 2qbf n ARG 25 Ca -0.00 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.81 2qbf n ARG 25 Cb 0.34 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.76 2qbf n ARG 25 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 2qbf n ALA 26 N -3.00 0.00 -3.23 2.89 0.00 -1.26 -4.84 120.51 111.06 2qbf n ALA 26 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 2qbf n ALA 26 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.47 2qbf n ALA 26 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2qbf n ILE 27 N 0.00 -7.42 -0.41 0.00 -0.00 -1.26 -4.68 119.36 105.59 2qbf n ILE 27 Ca 0.00 0.35 0.05 0.00 -0.00 0.00 0.00 62.75 63.15 2qbf n ILE 27 Cb 0.00 -5.36 -0.02 0.00 -0.00 0.00 0.00 39.64 34.26 2qbf n ILE 27 CO 0.00 0.00 0.00 -0.90 -0.00 0.00 0.00 176.55 175.65 2qbf n ASP 28 N -0.71 -2.46 -1.30 4.38 5.75 -1.26 -5.02 116.55 115.93 2qbf n ASP 28 Ca -0.02 0.29 0.17 0.00 -0.01 0.00 0.00 54.79 55.22 2qbf n ASP 28 Cb 0.58 -1.32 -0.04 0.00 -1.03 0.00 0.00 41.12 39.30 2qbf n ASP 28 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 2qbf n THR 29 N -3.01 0.00 -3.25 2.12 -1.04 -1.26 -4.82 114.28 103.02 2qbf n THR 29 Ca -0.01 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 61.77 2qbf n THR 29 Cb 0.19 -0.43 0.02 0.00 -1.82 0.00 0.00 70.33 68.29 2qbf n THR 29 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2qbf n LYS 30 N -3.81 -4.37 0.00 -2.82 4.01 -1.26 -4.35 118.16 105.56 2qbf n LYS 30 Ca 0.01 0.69 0.00 0.00 -0.51 0.00 0.00 58.31 58.50 2qbf n LYS 30 Cb 0.57 -5.49 0.00 0.00 -0.51 0.00 0.00 35.03 29.60 2qbf n LYS 30 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2qbf n LYS 32 N 0.00 -2.52 -1.45 0.00 4.81 -1.26 -4.95 118.16 112.78 2qbf n LYS 32 Ca 0.00 0.36 -0.44 0.00 -0.87 0.00 0.00 58.31 57.36 2qbf n LYS 32 Cb 0.00 -4.04 -0.01 0.00 0.02 0.00 0.00 35.03 31.00 2qbf n LYS 32 CO 0.00 0.00 0.00 1.51 1.17 0.00 0.00 177.40 180.08 2qbf n ILE 33 N -3.67 1.75 -3.13 3.15 0.13 -1.26 -3.45 119.36 112.87 2qbf n ILE 33 Ca -0.03 -0.50 -0.18 0.00 -1.10 0.00 0.00 62.75 60.94 2qbf n ILE 33 Cb 0.54 -0.45 0.02 0.00 -0.84 0.00 0.00 39.64 38.91 2qbf n ILE 33 CO 0.00 0.00 0.00 1.21 2.80 0.00 0.00 176.55 180.56 2qbf n GLU 34 N 0.80 -2.09 0.00 9.51 4.07 -1.26 -4.87 120.64 126.81 2qbf n GLU 34 Ca 0.13 1.77 0.00 0.00 -0.06 0.00 0.00 57.16 59.00 2qbf n GLU 34 Cb 0.34 -3.65 0.00 0.00 -0.06 0.00 0.00 31.44 28.07 2qbf n GLU 34 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 2qbf n GLN 35 N 0.08 0.00 -3.65 5.31 3.00 -1.22 -5.07 117.38 115.82 2qbf n GLN 35 Ca 0.01 0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.62 2qbf n GLN 35 Cb 0.49 0.00 -0.08 0.00 0.00 0.00 0.00 30.24 30.65 2qbf n GLN 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2qbf s ALA 36 N -1.00 3.79 -1.23 -1.58 0.00 -1.26 -4.49 121.76 115.98 2qbf s ALA 36 Ca 0.00 -3.41 0.00 0.00 0.00 0.00 0.00 51.96 48.55 2qbf s ALA 36 Cb 0.00 -2.81 0.00 0.00 0.00 0.00 0.00 23.12 20.31 2qbf s ALA 36 CO 0.00 -2.14 0.44 -2.30 0.00 0.00 0.00 175.76 171.76 2qbf n PRO 37 N 3.28 0.00 -3.36 0.00 -0.02 -1.26 -4.67 135.00 128.97 2qbf n PRO 37 Ca 0.12 0.07 0.03 0.00 -2.02 0.00 0.00 63.50 61.69 2qbf n PRO 37 Cb 0.39 -1.53 0.01 0.00 -0.02 0.00 0.00 33.50 32.34 2qbf n PRO 37 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qbf n GLY 38 N -0.94 0.21 0.39 -1.23 0.00 -1.26 -4.85 105.19 97.51 2qbf n GLY 38 Ca 0.00 -0.95 0.20 0.00 0.00 0.00 0.00 46.02 45.27 2qbf n GLY 38 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 2qbf h GLN 39 N 0.00 0.00 -0.00 1.61 -0.00 -2.04 0.79 115.11 115.47 2qbf h GLN 39 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.52 2qbf h GLN 39 Cb 0.79 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.27 2qbf h GLN 39 CO 0.20 0.00 -0.26 0.72 -0.00 0.00 0.00 178.83 179.49 2qbf n HIS 40 N -3.52 0.00 0.31 0.06 8.25 -1.26 -4.59 115.22 114.47 2qbf n HIS 40 Ca 0.07 0.00 0.16 0.00 -0.26 0.00 0.00 57.72 57.70 2qbf n HIS 40 Cb 0.69 0.00 0.83 0.00 1.12 0.00 0.00 29.99 32.63 2qbf n HIS 40 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 2qbf h GLY 41 N 1.66 0.00 -0.94 -1.41 0.00 -1.10 -3.04 103.07 98.24 2qbf h GLY 41 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 47.33 47.43 2qbf h GLY 41 CO 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 176.54 176.03 2qbf n ALA 42 N -1.95 -0.49 -1.78 3.60 0.00 -1.26 -4.41 120.51 114.22 2qbf n ALA 42 Ca -0.01 0.83 -0.36 0.00 0.00 0.00 0.00 53.44 53.90 2qbf n ALA 42 Cb 0.39 -0.20 -0.03 0.00 0.00 0.00 0.00 19.45 19.62 2qbf n ALA 42 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2qbf s ARG 43 N -5.56 3.95 -0.97 0.00 1.81 -1.15 -4.86 118.95 112.17 2qbf s ARG 43 Ca -0.12 1.56 -0.05 0.00 -1.72 0.00 0.00 55.73 55.41 2qbf s ARG 43 Cb 0.12 -2.40 0.24 0.00 -0.45 0.00 0.00 34.95 32.46 2qbf s ARG 43 CO 0.60 -0.34 0.89 0.21 -0.68 0.00 0.00 175.30 175.99 2qbf s LYS 44 N -2.72 3.62 0.44 3.54 2.20 -1.26 -5.05 119.74 120.50 2qbf s LYS 44 Ca 0.62 -3.21 -0.23 0.00 -0.36 0.00 0.00 55.97 52.79 2qbf s LYS 44 Cb -0.23 -4.19 -0.08 0.00 -1.51 0.00 0.00 37.83 31.82 2qbf s LYS 44 CO 0.28 -1.25 1.11 -1.25 -0.36 0.00 0.00 175.35 173.88 2qbf s PRO 45 N -1.22 3.92 0.82 4.03 0.04 -1.26 -5.02 135.00 136.30 2qbf s PRO 45 Ca 0.28 1.64 -0.12 0.00 0.04 0.00 0.00 61.00 62.84 2qbf s PRO 45 Cb -0.09 -2.44 0.09 0.00 0.04 0.00 0.00 34.50 32.11 2qbf s PRO 45 CO -0.10 -0.39 1.17 1.03 0.04 0.00 0.00 177.00 178.75 2qbf s ARG 46 N -2.66 1.61 -0.15 4.56 0.52 -1.26 -5.02 118.95 116.55 2qbf s ARG 46 Ca 0.62 1.62 0.01 0.00 -0.52 0.00 0.00 55.73 57.46 2qbf s ARG 46 Cb -0.25 -1.79 0.00 0.00 0.52 0.00 0.00 34.95 33.44 2qbf s ARG 46 CO 0.31 -2.21 -0.18 -1.17 0.02 0.00 0.00 175.30 172.07 2qbf s LEU 47 N -5.90 2.32 0.76 2.53 2.96 -1.26 -5.11 118.68 114.97 2qbf s LEU 47 Ca 0.70 -0.53 -0.13 0.00 -0.22 0.00 0.00 54.13 53.95 2qbf s LEU 47 Cb -0.25 -1.51 0.05 0.00 0.50 0.00 0.00 46.19 44.98 2qbf s LEU 47 CO 0.52 0.08 1.14 -0.94 -1.32 0.00 0.00 176.35 175.84 2qbf s SER 48 N 0.84 4.23 0.33 3.68 1.04 -1.26 -4.65 113.70 117.90 2qbf s SER 48 Ca -0.06 2.11 0.10 0.00 0.48 0.00 0.00 55.95 58.59 2qbf s SER 48 Cb -0.15 -2.56 0.98 0.00 0.10 0.00 0.00 66.02 64.39 2qbf s SER 48 CO -0.01 -2.23 1.62 0.44 0.98 0.00 0.00 173.24 174.04 2qbf h ASP 49 N -0.72 0.12 0.20 7.02 5.19 -2.00 0.33 116.42 126.56 2qbf h ASP 49 Ca -0.46 0.23 -0.01 0.00 -0.62 0.00 0.00 57.03 56.17 2qbf h ASP 49 Cb 1.26 0.28 0.00 0.00 0.18 0.00 0.00 39.33 41.05 2qbf h ASP 49 CO 0.49 -0.26 -0.10 0.22 -3.12 0.00 0.00 179.24 176.48 2qbf h TYR 50 N 0.15 -0.25 -0.57 4.55 3.20 -2.00 -2.94 116.97 119.10 2qbf h TYR 50 Ca 0.68 -0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.66 2qbf h TYR 50 Cb 1.57 0.08 -0.11 0.00 1.54 0.00 0.00 36.73 39.81 2qbf h TYR 50 CO -0.18 -0.07 -0.19 0.78 -1.64 0.00 0.00 178.16 176.86 2qbf h GLY 51 N -0.39 0.29 -0.02 1.82 0.00 -0.70 0.15 103.07 104.22 2qbf h GLY 51 Ca -0.03 0.25 0.09 0.00 0.00 0.00 0.00 47.33 47.64 2qbf h GLY 51 CO 0.05 -0.23 -0.21 -2.08 0.00 0.00 0.00 176.54 174.07 2qbf h VAL 52 N -0.05 0.40 -0.26 4.60 2.07 -1.28 0.69 116.25 122.40 2qbf h VAL 52 Ca 0.27 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.80 2qbf h VAL 52 Cb 0.47 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 2qbf h VAL 52 CO -0.62 0.00 0.14 1.56 0.02 0.00 0.00 177.57 178.68 2qbf h GLN 53 N -0.13 0.29 -0.53 1.57 4.20 -0.92 -1.25 115.11 118.34 2qbf h GLN 53 Ca 0.20 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.85 2qbf h GLN 53 Cb 0.44 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.13 2qbf h GLN 53 CO -0.49 0.19 0.17 1.25 -0.67 0.00 0.00 178.83 179.28 2qbf h LEU 54 N 0.30 0.77 -0.17 1.46 7.12 0.30 -1.61 115.31 123.48 2qbf h LEU 54 Ca 0.10 -0.20 0.00 0.00 0.13 0.00 0.00 57.88 57.92 2qbf h LEU 54 Cb 0.01 -0.20 -0.01 0.00 -0.53 0.00 0.00 40.66 39.93 2qbf h LEU 54 CO -0.06 0.76 0.11 0.03 -0.13 0.00 0.00 178.44 179.16 2qbf h ARG 55 N 0.73 0.22 0.23 1.25 -0.00 0.53 0.37 114.38 117.71 2qbf h ARG 55 Ca 0.17 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.98 59.63 2qbf h ARG 55 Cb 0.26 -0.05 -0.01 0.00 0.00 0.00 0.00 29.97 30.17 2qbf h ARG 55 CO -0.01 0.16 -0.23 1.49 0.00 0.00 0.00 179.97 181.38 2qbf h GLU 56 N 0.22 -0.45 -1.08 0.04 4.57 -1.08 0.13 114.58 116.93 2qbf h GLU 56 Ca 0.06 0.03 0.29 0.00 -1.18 0.00 0.00 59.36 58.56 2qbf h GLU 56 Cb -0.02 0.10 -0.08 0.00 -0.16 0.00 0.00 28.75 28.59 2qbf h GLU 56 CO -0.01 -0.30 0.71 -0.22 -1.18 0.00 0.00 179.01 178.01 2qbf h LYS 57 N -0.47 0.28 -0.14 1.92 3.11 -1.25 0.14 116.57 120.16 2qbf h LYS 57 Ca -0.03 -0.02 -0.20 0.00 -2.81 0.00 0.00 60.65 57.60 2qbf h LYS 57 Cb 0.40 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 31.57 2qbf h LYS 57 CO -0.03 0.18 -0.71 0.37 -2.81 0.00 0.00 179.45 176.46 2qbf h GLN 58 N 0.29 0.62 0.00 1.90 5.75 -0.31 -2.79 115.11 120.57 2qbf h GLN 58 Ca 0.59 -0.48 0.00 0.00 -0.15 0.00 0.00 58.65 58.62 2qbf h GLN 58 Cb 1.72 0.09 0.00 0.00 1.07 0.00 0.00 27.48 30.36 2qbf h GLN 58 CO -0.24 1.10 0.00 1.17 -2.65 0.00 0.00 178.83 178.21 2qbf n LYS 59 N -3.91 0.00 0.14 1.69 4.81 0.47 -2.03 118.16 119.34 2qbf n LYS 59 Ca -0.05 0.43 0.18 0.00 -0.87 0.00 0.00 58.31 58.00 2qbf n LYS 59 Cb 0.70 -1.43 0.67 0.00 0.02 0.00 0.00 35.03 34.99 2qbf n LYS 59 CO 0.00 0.00 0.00 -0.24 1.17 0.00 0.00 177.40 178.33 2qbf h VAL 60 N 0.00 0.18 -0.06 3.15 3.04 -1.63 0.17 116.25 121.10 2qbf h VAL 60 Ca 0.00 0.00 -0.20 0.00 -1.01 0.00 0.00 66.70 65.49 2qbf h VAL 60 Cb 0.00 0.51 0.01 0.00 -2.01 0.00 0.00 31.29 29.81 2qbf h VAL 60 CO 0.00 0.00 -0.75 -0.09 -1.01 0.00 0.00 177.57 175.72 2qbf h ARG 61 N 0.00 0.62 -0.00 4.17 2.43 -1.31 -3.24 114.38 117.05 2qbf h ARG 61 Ca 0.16 -0.58 0.00 0.00 -0.81 0.00 0.00 59.98 58.75 2qbf h ARG 61 Cb 1.28 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.98 2qbf h ARG 61 CO -0.00 1.19 -0.17 2.89 -1.51 0.00 0.00 179.97 182.37 2qbf n ARG 62 N -4.05 0.27 0.10 0.20 1.85 -0.02 -2.44 116.66 112.56 2qbf n ARG 62 Ca -0.09 -0.09 -0.06 0.00 -1.00 0.00 0.00 57.85 56.61 2qbf n ARG 62 Cb 0.73 -1.50 0.06 0.00 -1.05 0.00 0.00 32.46 30.70 2qbf n ARG 62 CO 0.00 0.00 0.00 0.82 -0.01 0.00 0.00 177.63 178.44 2qbf h ILE 63 N 0.21 1.48 -0.68 8.89 2.04 -1.40 -3.02 117.51 125.04 2qbf h ILE 63 Ca 0.00 -2.43 0.00 0.00 1.00 0.00 0.00 64.86 63.43 2qbf h ILE 63 Cb 0.44 2.31 0.00 0.00 -0.74 0.00 0.00 36.82 38.84 2qbf h ILE 63 CO 0.00 0.70 0.00 -1.22 0.00 0.00 0.00 178.15 177.63 2qbf n TYR 64 N -3.71 0.91 -0.71 1.37 4.02 -1.23 -4.93 117.16 112.87 2qbf n TYR 64 Ca -0.02 -0.50 0.00 0.00 -0.01 0.00 0.00 57.90 57.37 2qbf n TYR 64 Cb 0.73 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.04 2qbf n TYR 64 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2qbf n GLY 65 N 1.50 0.30 3.69 2.72 0.00 -1.14 -4.96 105.19 107.29 2qbf n GLY 65 Ca 0.23 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.95 2qbf n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qbf s VAL 66 N -1.87 2.56 0.40 1.61 1.01 -1.02 -4.94 120.40 118.15 2qbf s VAL 66 Ca 0.00 0.18 0.08 0.00 0.00 0.00 0.00 61.98 62.24 2qbf s VAL 66 Cb 0.00 -2.47 -0.05 0.00 0.00 0.00 0.00 36.38 33.86 2qbf s VAL 66 CO 0.00 -0.24 0.17 -0.76 0.00 0.00 0.00 175.10 174.27 2qbf s LEU 67 N -6.40 3.12 0.00 3.92 1.43 -1.26 -4.53 118.68 114.96 2qbf s LEU 67 Ca 0.65 -1.04 0.00 0.00 -1.03 0.00 0.00 54.13 52.70 2qbf s LEU 67 Cb -0.20 -1.47 0.00 0.00 0.03 0.00 0.00 46.19 44.55 2qbf s LEU 67 CO 0.58 -0.50 0.83 1.21 0.23 0.00 0.00 176.35 178.70 2qbf n GLU 68 N -1.21 0.00 -0.31 1.70 4.07 -1.26 0.09 120.64 123.72 2qbf n GLU 68 Ca -0.01 0.59 -0.01 0.00 -0.06 0.00 0.00 57.16 57.67 2qbf n GLU 68 Cb 0.64 -1.33 0.06 0.00 -0.06 0.00 0.00 31.44 30.74 2qbf n GLU 68 CO 0.00 0.00 0.00 -0.09 -0.06 0.00 0.00 177.13 176.98 2qbf h ARG 69 N 0.00 -0.04 0.14 5.31 9.65 -1.98 0.78 114.38 128.23 2qbf h ARG 69 Ca 0.00 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.88 2qbf h ARG 69 Cb 0.00 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.59 2qbf h ARG 69 CO 0.00 -0.03 -0.07 0.37 2.80 0.00 0.00 179.97 183.05 2qbf h GLN 70 N -0.04 -0.18 -0.79 0.20 4.15 -1.96 -2.37 115.11 114.12 2qbf h GLN 70 Ca 0.34 0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.82 2qbf h GLN 70 Cb 0.60 0.04 -0.05 0.00 0.21 0.00 0.00 27.48 28.28 2qbf h GLN 70 CO -0.88 -0.10 0.49 0.35 -1.93 0.00 0.00 178.83 176.76 2qbf h PHE 71 N -0.21 0.92 -0.27 3.99 3.57 0.13 -2.47 116.94 122.61 2qbf h PHE 71 Ca -0.02 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.57 2qbf h PHE 71 Cb 0.16 -0.30 -0.07 0.00 2.79 0.00 0.00 35.95 38.53 2qbf h PHE 71 CO -0.06 0.50 -0.26 -0.09 -2.23 0.00 0.00 178.31 176.17 2qbf h ARG 72 N 0.94 -0.24 -0.57 1.11 9.65 0.83 0.42 114.38 126.52 2qbf h ARG 72 Ca 0.33 0.02 0.16 0.00 -1.10 0.00 0.00 59.98 59.38 2qbf h ARG 72 Cb 0.08 0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 28.69 2qbf h ARG 72 CO -0.14 -0.16 0.41 -0.91 2.80 0.00 0.00 179.97 181.97 2qbf h ASN 73 N -0.25 0.04 -0.37 -3.80 4.21 -0.96 -0.51 115.58 113.94 2qbf h ASN 73 Ca 0.14 0.00 -0.04 0.00 1.21 0.00 0.00 56.30 57.61 2qbf h ASN 73 Cb 0.48 -0.01 -0.01 0.00 -1.12 0.00 0.00 38.32 37.66 2qbf h ASN 73 CO -0.41 0.02 0.07 1.88 -1.29 0.00 0.00 177.43 177.70 2qbf h TYR 74 N 0.05 0.64 -0.36 1.19 0.05 -0.74 -1.73 116.97 116.06 2qbf h TYR 74 Ca 0.27 -0.08 0.04 0.00 0.05 0.00 0.00 58.73 59.00 2qbf h TYR 74 Cb 1.02 -0.18 -0.04 0.00 1.01 0.00 0.00 36.73 38.55 2qbf h TYR 74 CO -0.00 0.64 0.15 -0.92 -1.05 0.00 0.00 178.16 176.98 2qbf h TYR 75 N 0.45 0.27 0.28 4.88 3.20 -0.80 0.56 116.97 125.80 2qbf h TYR 75 Ca 0.11 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.00 2qbf h TYR 75 Cb 0.34 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.50 2qbf h TYR 75 CO 0.02 0.13 -0.47 0.87 -1.64 0.00 0.00 178.16 177.06 2qbf h LYS 76 N 0.31 -0.78 0.11 1.82 1.57 -1.24 0.34 116.57 118.71 2qbf h LYS 76 Ca 0.16 0.05 0.01 0.00 -1.87 0.00 0.00 60.65 59.00 2qbf h LYS 76 Cb 0.11 0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 2qbf h LYS 76 CO -0.14 -0.52 -0.15 1.49 -0.57 0.00 0.00 179.45 179.55 2qbf h GLU 77 N -0.81 -0.30 -0.36 3.15 4.57 -1.09 -0.96 114.58 118.78 2qbf h GLU 77 Ca -0.02 0.02 0.07 0.00 -1.18 0.00 0.00 59.36 58.25 2qbf h GLU 77 Cb 0.77 0.07 -0.09 0.00 -0.16 0.00 0.00 28.75 29.34 2qbf h GLU 77 CO -0.18 -0.20 -0.39 0.00 -1.18 0.00 0.00 179.01 177.06 2qbf h ALA 78 N 0.53 -0.37 -0.81 2.92 0.00 0.44 0.36 119.26 122.34 2qbf h ALA 78 Ca 0.02 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.00 2qbf h ALA 78 Cb 0.32 0.81 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 2qbf h ALA 78 CO -0.07 -0.83 0.54 0.00 0.00 0.00 0.00 179.25 178.89 2qbf h ALA 79 N 0.49 1.04 -0.09 0.00 0.00 -0.17 -2.52 119.26 118.00 2qbf h ALA 79 Ca 0.14 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 2qbf h ALA 79 Cb 0.58 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2qbf h ALA 79 CO -0.53 0.43 -0.38 0.07 0.00 0.00 0.00 179.25 178.83 2qbf h ARG 80 N 1.09 0.19 -6.84 0.00 0.11 -0.07 -3.44 114.38 105.41 2qbf h ARG 80 Ca 0.30 -0.08 -0.55 0.00 0.10 0.00 0.00 59.98 59.75 2qbf h ARG 80 Cb -0.11 -0.01 0.10 0.00 1.11 0.00 0.00 29.97 31.07 2qbf h ARG 80 CO -0.07 0.55 0.74 1.28 0.10 0.00 0.00 179.97 182.56 2qbf n LEU 81 N -4.06 4.32 -0.21 0.08 4.77 0.12 -4.85 117.00 117.17 2qbf n LEU 81 Ca -0.01 1.20 0.30 0.00 -0.03 0.00 0.00 56.01 57.47 2qbf n LEU 81 Cb 0.45 -1.57 0.73 0.00 -2.33 0.00 0.00 43.42 40.69 2qbf n LEU 81 CO 0.41 -0.01 1.28 0.11 -1.33 0.00 0.00 177.39 177.84 2qbf h LYS 82 N 3.43 0.00 0.00 3.23 1.57 -1.86 -3.42 116.57 119.52 2qbf h LYS 82 Ca -0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 2qbf h LYS 82 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 2qbf h LYS 82 CO 0.68 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.97 2qbf n GLY 83 N -1.72 -2.14 3.59 3.86 0.00 -1.26 -4.96 105.19 102.57 2qbf n GLY 83 Ca 0.20 -1.20 -0.40 0.00 0.00 0.00 0.00 46.02 44.62 2qbf n GLY 83 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2qbf s ASN 84 N -1.70 6.28 0.46 1.61 3.04 -1.26 -4.95 114.94 118.42 2qbf s ASN 84 Ca 0.00 0.21 0.31 0.00 0.04 0.00 0.00 52.86 53.42 2qbf s ASN 84 Cb 0.00 -2.23 1.41 0.00 -1.54 0.00 0.00 41.25 38.89 2qbf s ASN 84 CO 0.00 -0.26 1.69 0.74 -3.04 0.00 0.00 177.10 176.24 2qbf h THR 85 N 5.44 0.27 0.00 -5.21 2.02 -1.85 0.22 112.91 113.80 2qbf h THR 85 Ca -0.30 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 66.83 2qbf h THR 85 Cb 1.15 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.68 2qbf h THR 85 CO 0.68 0.03 0.00 0.61 0.37 0.00 0.00 175.52 177.20 2qbf n GLY 86 N -1.61 -2.28 0.17 2.16 0.00 -1.26 -2.48 105.19 99.89 2qbf n GLY 86 Ca 0.33 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.29 2qbf n GLY 86 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2qbf h GLU 87 N 0.00 -0.02 -0.90 1.61 4.22 -1.85 -2.75 114.58 114.89 2qbf h GLU 87 Ca 0.00 0.00 0.10 0.00 0.08 0.00 0.00 59.36 59.54 2qbf h GLU 87 Cb 0.00 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.14 2qbf h GLU 87 CO 0.00 -0.01 -0.49 0.09 -2.18 0.00 0.00 179.01 176.42 2qbf n ASN 88 N -5.31 -0.86 0.03 1.04 3.02 0.71 -0.60 115.26 113.29 2qbf n ASN 88 Ca 0.02 1.60 -0.13 0.00 -0.03 0.00 0.00 54.58 56.04 2qbf n ASN 88 Cb 0.22 -0.25 -0.06 0.00 -0.61 0.00 0.00 39.78 39.08 2qbf n ASN 88 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2qbf h LEU 89 N 0.00 -1.26 -0.54 3.41 5.85 -1.17 0.13 115.31 121.73 2qbf h LEU 89 Ca 0.19 0.16 0.07 0.00 0.84 0.00 0.00 57.88 59.14 2qbf h LEU 89 Cb 0.41 0.50 -0.06 0.00 0.37 0.00 0.00 40.66 41.89 2qbf h LEU 89 CO -0.86 -0.43 0.21 -0.07 -0.34 0.00 0.00 178.44 176.95 2qbf h LEU 90 N -0.52 0.24 -0.85 2.25 -0.00 -1.24 -1.27 115.31 113.92 2qbf h LEU 90 Ca 0.07 0.06 0.07 0.00 -0.00 0.00 0.00 57.88 58.07 2qbf h LEU 90 Cb 0.63 0.03 -0.06 0.00 -0.00 0.00 0.00 40.66 41.25 2qbf h LEU 90 CO -0.36 0.16 0.52 0.00 -0.00 0.00 0.00 178.44 178.77 2qbf h ALA 91 N 1.35 1.18 0.13 1.53 0.00 -0.05 0.29 119.26 123.69 2qbf h ALA 91 Ca 0.26 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.17 2qbf h ALA 91 Cb 0.27 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2qbf h ALA 91 CO -0.24 0.24 -0.15 -0.07 0.00 0.00 0.00 179.25 179.03 2qbf h LEU 92 N 0.93 -0.40 -0.54 0.00 -0.00 0.36 0.13 115.31 115.79 2qbf h LEU 92 Ca 0.38 0.04 -0.01 0.00 -0.00 0.00 0.00 57.88 58.29 2qbf h LEU 92 Cb 0.21 0.14 -0.03 0.00 -0.00 0.00 0.00 40.66 40.99 2qbf h LEU 92 CO -0.19 -0.22 0.30 -0.07 -0.00 0.00 0.00 178.44 178.26 2qbf h LEU 93 N -0.32 0.68 -2.03 1.67 3.38 -0.80 -1.95 115.31 115.94 2qbf h LEU 93 Ca 0.01 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 2qbf h LEU 93 Cb 0.31 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 2qbf h LEU 93 CO -0.05 0.57 -0.08 -0.08 0.09 0.00 0.00 178.44 178.89 2qbf h GLU 94 N 0.73 0.00 0.00 1.13 4.57 -0.13 -1.54 114.58 119.34 2qbf h GLU 94 Ca 0.19 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.37 2qbf h GLU 94 Cb 0.05 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.64 2qbf h GLU 94 CO -0.03 0.08 0.00 0.78 -1.18 0.00 0.00 179.01 178.66 2qbf h GLY 95 N 0.83 0.00 -4.80 1.92 0.00 0.04 -3.40 103.07 97.66 2qbf h GLY 95 Ca -0.00 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.71 2qbf h GLY 95 CO 0.01 0.00 0.41 0.54 0.00 0.00 0.00 176.54 177.50 2qbf n ARG 96 N -2.95 1.58 0.23 4.80 1.74 -0.58 -0.06 116.66 121.42 2qbf n ARG 96 Ca 0.04 0.56 -0.16 0.00 -0.77 0.00 0.00 57.85 57.52 2qbf n ARG 96 Cb 0.49 -2.12 -0.08 0.00 -1.02 0.00 0.00 32.46 29.73 2qbf n ARG 96 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 2qbf h LEU 97 N 3.62 -0.99 -1.26 0.55 5.85 0.60 -0.92 115.31 122.76 2qbf h LEU 97 Ca -0.44 0.08 0.33 0.00 0.84 0.00 0.00 57.88 58.69 2qbf h LEU 97 Cb 1.31 0.33 -0.12 0.00 0.37 0.00 0.00 40.66 42.55 2qbf h LEU 97 CO 0.72 -0.51 0.69 -2.24 -0.34 0.00 0.00 178.44 176.76 2qbf h ASP 98 N -0.76 0.42 0.32 1.25 -0.00 -1.72 0.21 116.42 116.13 2qbf h ASP 98 Ca -0.03 0.13 -0.02 0.00 -0.00 0.00 0.00 57.03 57.12 2qbf h ASP 98 Cb 0.68 0.08 0.00 0.00 -0.00 0.00 0.00 39.33 40.09 2qbf h ASP 98 CO -0.06 -0.05 -0.15 -1.13 -0.00 0.00 0.00 179.24 177.85 2qbf h ASN 99 N 0.30 -0.36 -0.17 4.15 -1.24 -1.61 -2.40 115.58 114.25 2qbf h ASN 99 Ca 0.70 -0.18 0.04 0.00 0.71 0.00 0.00 56.30 57.58 2qbf h ASN 99 Cb 1.84 0.09 -0.07 0.00 0.73 0.00 0.00 38.32 40.92 2qbf h ASN 99 CO -0.42 0.03 -0.44 0.58 -1.29 0.00 0.00 177.43 175.89 2qbf h VAL 100 N -0.80 0.12 -0.69 2.57 2.07 0.63 -0.84 116.25 119.31 2qbf h VAL 100 Ca -0.04 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.63 2qbf h VAL 100 Cb 0.52 0.12 -0.12 0.00 -1.52 0.00 0.00 31.29 30.28 2qbf h VAL 100 CO 0.07 0.00 -0.01 0.58 0.02 0.00 0.00 177.57 178.23 2qbf h VAL 101 N -0.48 0.40 -0.28 2.57 2.07 -0.96 0.11 116.25 119.68 2qbf h VAL 101 Ca 0.08 -0.03 0.06 0.00 0.82 0.00 0.00 66.70 67.62 2qbf h VAL 101 Cb 0.63 0.29 -0.06 0.00 -1.52 0.00 0.00 31.29 30.63 2qbf h VAL 101 CO -0.43 0.02 -0.11 0.22 0.02 0.00 0.00 177.57 177.29 2qbf h TYR 102 N 0.10 -0.25 0.00 1.57 3.20 -0.66 -2.17 116.97 118.75 2qbf h TYR 102 Ca 0.37 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.27 2qbf h TYR 102 Cb 0.62 0.15 0.00 0.00 1.54 0.00 0.00 36.73 39.04 2qbf h TYR 102 CO -0.41 -0.17 0.00 0.00 -1.64 0.00 0.00 178.16 175.94 2qbf h ARG 103 N -0.06 0.00 -1.03 1.82 3.08 0.09 -3.11 114.38 115.18 2qbf h ARG 103 Ca 0.14 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.90 2qbf h ARG 103 Cb 0.27 0.00 -0.17 0.00 0.08 0.00 0.00 29.97 30.15 2qbf h ARG 103 CO -0.32 0.00 0.37 -1.33 -1.07 0.00 0.00 179.97 177.62 2qbf n MET 104 N -2.63 1.70 0.00 0.04 2.81 0.20 -4.83 117.12 114.41 2qbf n MET 104 Ca 0.03 -1.66 0.00 0.00 -1.81 0.00 0.00 57.70 54.26 2qbf n MET 104 Cb 0.35 -1.65 0.00 0.00 -0.71 0.00 0.00 33.22 31.21 2qbf n MET 104 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2qbf n GLY 105 N -0.37 1.50 3.56 3.03 0.00 -1.18 -4.96 105.19 106.78 2qbf n GLY 105 Ca 0.33 -0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.87 2qbf n GLY 105 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2qbf n PHE 106 N 0.00 1.10 -0.95 1.61 3.72 -1.20 -3.02 117.46 118.71 2qbf n PHE 106 Ca 0.00 0.72 0.00 0.00 -0.05 0.00 0.00 57.45 58.12 2qbf n PHE 106 Cb 0.00 -2.23 0.00 0.00 -0.94 0.00 0.00 39.48 36.31 2qbf n PHE 106 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2qbf n GLY 107 N 1.70 -4.21 0.00 1.37 0.00 -1.26 -3.77 105.19 99.02 2qbf n GLY 107 Ca 0.13 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.46 2qbf n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qbf n ALA 108 N 0.05 -0.29 -2.88 4.61 0.00 -1.26 -4.78 120.51 115.96 2qbf n ALA 108 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 2qbf n ALA 108 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 2qbf n ALA 108 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2qbf s THR 109 N -2.09 5.06 0.32 0.00 -4.23 -1.26 -4.90 115.64 108.55 2qbf s THR 109 Ca 0.00 -0.98 0.06 0.00 -1.18 0.00 0.00 61.69 59.58 2qbf s THR 109 Cb 0.00 -3.79 0.31 0.00 1.34 0.00 0.00 72.50 70.36 2qbf s THR 109 CO 0.00 -0.30 1.84 0.03 -0.54 0.00 0.00 174.62 175.64 2qbf h ARG 110 N 1.12 0.78 -0.75 3.99 3.08 -1.89 0.14 114.38 120.86 2qbf h ARG 110 Ca -0.51 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.48 2qbf h ARG 110 Cb 1.23 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 31.07 2qbf h ARG 110 CO 0.60 0.52 0.41 0.00 -1.07 0.00 0.00 179.97 180.43 2qbf h ALA 111 N 1.59 1.31 -0.66 0.04 0.00 -1.94 -1.33 119.26 118.27 2qbf h ALA 111 Ca 0.49 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 55.21 2qbf h ALA 111 Cb 0.69 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 2qbf h ALA 111 CO -0.26 0.56 0.11 1.49 0.00 0.00 0.00 179.25 181.16 2qbf h GLU 112 N 1.05 1.08 -0.38 0.00 4.81 -1.14 -2.22 114.58 117.79 2qbf h GLU 112 Ca 0.27 -0.29 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 2qbf h GLU 112 Cb 0.02 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 2qbf h GLU 112 CO -0.04 0.99 0.13 0.00 -0.73 0.00 0.00 179.01 179.36 2qbf h ALA 113 N 1.05 1.53 -0.04 2.92 0.00 -0.49 -2.68 119.26 121.54 2qbf h ALA 113 Ca 0.20 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.03 2qbf h ALA 113 Cb 0.43 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 2qbf h ALA 113 CO 0.01 0.36 -0.30 -0.09 0.00 0.00 0.00 179.25 179.24 2qbf h ARG 114 N 0.53 -0.40 -0.83 0.00 2.43 -0.63 -1.66 114.38 113.82 2qbf h ARG 114 Ca 0.13 0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.38 2qbf h ARG 114 Cb 0.14 0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 29.73 2qbf h ARG 114 CO -0.01 -0.27 0.54 0.37 -1.51 0.00 0.00 179.97 179.09 2qbf h GLN 115 N -0.42 0.94 -0.44 0.20 4.15 -1.41 -0.47 115.11 117.66 2qbf h GLN 115 Ca 0.07 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.43 2qbf h GLN 115 Cb 0.53 -0.21 -0.02 0.00 0.21 0.00 0.00 27.48 27.98 2qbf h GLN 115 CO -0.28 0.62 0.23 -0.07 -1.93 0.00 0.00 178.83 177.40 2qbf h LEU 116 N 0.97 0.53 0.23 -2.39 3.38 -1.10 0.22 115.31 117.14 2qbf h LEU 116 Ca 0.35 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.27 2qbf h LEU 116 Cb 0.14 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2qbf h LEU 116 CO -0.11 0.43 -0.11 0.58 0.09 0.00 0.00 178.44 179.32 2qbf h VAL 117 N 0.60 0.29 -0.36 1.22 2.07 -0.34 0.78 116.25 120.50 2qbf h VAL 117 Ca 0.16 -0.91 0.06 0.00 0.82 0.00 0.00 66.70 66.83 2qbf h VAL 117 Cb 0.03 0.50 -0.06 0.00 -1.52 0.00 0.00 31.29 30.24 2qbf h VAL 117 CO -0.03 0.08 0.01 -1.28 0.02 0.00 0.00 177.57 176.37 2qbf h SER 118 N -1.03 -0.13 0.00 0.57 0.87 -1.08 -2.23 113.55 110.52 2qbf h SER 118 Ca -0.03 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 2qbf h SER 118 Cb 0.36 0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.47 2qbf h SER 118 CO 0.05 -0.03 0.00 1.41 -0.53 0.00 0.00 176.83 177.73 2qbf n HIS 119 N -5.18 0.00 -3.54 2.24 8.25 0.06 -4.81 115.22 112.24 2qbf n HIS 119 Ca 0.02 -0.16 -0.26 0.00 -0.26 0.00 0.00 57.72 57.06 2qbf n HIS 119 Cb 0.18 -0.13 0.05 0.00 1.12 0.00 0.00 29.99 31.21 2qbf n HIS 119 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2qbf n LYS 120 N 0.36 -1.48 0.00 -0.41 5.02 -0.84 -4.94 118.16 115.87 2qbf n LYS 120 Ca 0.00 0.63 0.00 0.00 -2.02 0.00 0.00 58.31 56.92 2qbf n LYS 120 Cb 0.27 -4.57 0.00 0.00 -0.02 0.00 0.00 35.03 30.70 2qbf n LYS 120 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2qbf n ALA 121 N -3.77 1.74 -2.79 7.82 0.00 0.25 -4.94 120.51 118.81 2qbf n ALA 121 Ca -0.09 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.01 2qbf n ALA 121 Cb 0.60 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.00 2qbf n ALA 121 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2qbf s ILE 122 N -1.47 5.33 -0.10 0.00 -1.09 -1.10 -1.06 121.20 121.71 2qbf s ILE 122 Ca 0.00 0.06 0.00 0.00 -2.23 0.00 0.00 60.65 58.48 2qbf s ILE 122 Cb 0.00 -3.57 0.02 0.00 -1.58 0.00 0.00 42.46 37.34 2qbf s ILE 122 CO 0.00 0.32 -0.08 -0.32 -1.23 0.00 0.00 174.94 173.64 2qbf s MET 123 N -1.90 1.45 -0.21 2.79 1.75 0.14 -0.90 119.30 122.42 2qbf s MET 123 Ca 0.29 -0.24 -0.04 0.00 -1.25 0.00 0.00 55.69 54.44 2qbf s MET 123 Cb -0.13 -1.47 -0.02 0.00 2.84 0.00 0.00 34.83 36.05 2qbf s MET 123 CO 0.18 -0.21 -0.02 0.08 -0.65 0.00 0.00 175.02 174.39 2qbf s VAL 124 N 1.52 3.63 -1.99 10.11 1.01 0.20 0.03 120.40 134.91 2qbf s VAL 124 Ca 0.01 -0.41 0.00 0.00 0.00 0.00 0.00 61.98 61.58 2qbf s VAL 124 Cb -0.13 -2.65 0.00 0.00 0.00 0.00 0.00 36.38 33.60 2qbf s VAL 124 CO -0.06 0.42 0.00 0.59 0.00 0.00 0.00 175.10 176.06 2qbf n ASN 125 N 4.55 -5.26 0.00 3.32 4.13 0.22 -1.78 115.26 120.44 2qbf n ASN 125 Ca -0.18 0.46 0.00 0.00 1.68 0.00 0.00 54.58 56.55 2qbf n ASN 125 Cb 0.51 -4.57 0.00 0.00 -1.54 0.00 0.00 39.78 34.18 2qbf n ASN 125 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2qbf n GLY 126 N -0.29 1.17 2.95 7.41 0.00 -1.26 -5.02 105.19 110.15 2qbf n GLY 126 Ca -0.19 -0.10 -0.13 0.00 0.00 0.00 0.00 46.02 45.61 2qbf n GLY 126 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qbf s ARG 127 N -0.47 0.11 0.30 1.61 0.52 -0.73 -5.11 118.95 115.18 2qbf s ARG 127 Ca 0.00 0.23 -0.29 0.00 -0.52 0.00 0.00 55.73 55.15 2qbf s ARG 127 Cb 0.00 -0.03 -0.10 0.00 0.52 0.00 0.00 34.95 35.34 2qbf s ARG 127 CO 0.00 -0.07 1.32 0.54 0.02 0.00 0.00 175.30 177.10 2qbf s VAL 128 N 0.48 2.80 -0.01 3.52 0.11 -1.26 0.59 120.40 126.63 2qbf s VAL 128 Ca -0.03 0.76 0.03 0.00 -2.93 0.00 0.00 61.98 59.80 2qbf s VAL 128 Cb -0.05 -3.49 -0.01 0.00 -1.53 0.00 0.00 36.38 31.31 2qbf s VAL 128 CO -0.02 0.17 -0.08 -0.69 -3.33 0.00 0.00 175.10 171.14 2qbf s VAL 129 N -0.84 0.65 -0.08 2.04 1.01 -0.08 -4.86 120.40 118.23 2qbf s VAL 129 Ca 0.51 -0.35 0.12 0.00 0.00 0.00 0.00 61.98 62.26 2qbf s VAL 129 Cb -0.39 -0.55 0.18 0.00 0.00 0.00 0.00 36.38 35.62 2qbf s VAL 129 CO 0.49 0.19 1.08 -0.46 0.00 0.00 0.00 175.10 176.40 2qbf n ASN 130 N 2.92 1.59 -4.29 3.32 6.94 -1.23 -4.23 115.26 120.27 2qbf n ASN 130 Ca -0.14 -2.66 -0.45 0.00 -0.02 0.00 0.00 54.58 51.31 2qbf n ASN 130 Cb 0.57 -0.33 -0.04 0.00 -2.36 0.00 0.00 39.78 37.62 2qbf n ASN 130 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 2qbf s ILE 131 N -1.86 5.19 0.58 1.53 1.01 -1.26 -3.98 121.20 122.42 2qbf s ILE 131 Ca 0.20 -2.12 0.31 0.00 0.00 0.00 0.00 60.65 59.04 2qbf s ILE 131 Cb 0.18 -4.28 0.43 0.00 0.01 0.00 0.00 42.46 38.80 2qbf s ILE 131 CO 0.02 -0.94 1.77 0.00 0.00 0.00 0.00 174.94 175.79 2qbf h ALA 132 N 8.16 2.57 -0.39 9.38 0.00 -1.92 0.71 119.26 137.78 2qbf h ALA 132 Ca -0.07 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2qbf h ALA 132 Cb 1.06 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2qbf h ALA 132 CO 0.86 -1.10 0.00 -1.13 0.00 0.00 0.00 179.25 177.88 2qbf n SER 133 N -3.76 2.45 -4.69 0.00 3.41 -1.26 -2.21 113.62 107.56 2qbf n SER 133 Ca 0.16 -1.93 -0.44 0.00 -0.26 0.00 0.00 58.87 56.39 2qbf n SER 133 Cb 0.97 -0.26 -0.03 0.00 -0.26 0.00 0.00 64.21 64.64 2qbf n SER 133 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qbf n TYR 134 N 0.83 2.35 -3.00 7.33 9.36 0.25 -4.62 117.16 129.66 2qbf n TYR 134 Ca 0.16 0.33 -0.43 0.00 3.32 0.00 0.00 57.90 61.28 2qbf n TYR 134 Cb 0.41 -2.52 -0.06 0.00 -0.63 0.00 0.00 39.34 36.54 2qbf n TYR 134 CO 0.00 0.00 0.00 -1.14 0.22 0.00 0.00 176.86 175.94 2qbf s GLN 135 N 0.08 3.36 -0.88 2.98 2.00 -1.26 0.94 119.66 126.88 2qbf s GLN 135 Ca 0.71 -0.20 -0.24 0.00 -2.00 0.00 0.00 55.36 53.63 2qbf s GLN 135 Cb -0.62 -3.95 0.05 0.00 0.80 0.00 0.00 33.01 29.28 2qbf s GLN 135 CO 0.45 -1.12 1.32 0.08 -0.50 0.00 0.00 175.29 175.52 2qbf s VAL 136 N 3.20 3.95 1.18 1.34 1.01 0.91 -4.96 120.40 127.02 2qbf s VAL 136 Ca 0.28 -0.36 -0.15 0.00 0.00 0.00 0.00 61.98 61.75 2qbf s VAL 136 Cb -0.13 -4.95 0.28 0.00 0.00 0.00 0.00 36.38 31.58 2qbf s VAL 136 CO 0.21 -1.83 1.03 -0.44 0.00 0.00 0.00 175.10 174.07 2qbf s SER 137 N 4.30 0.97 0.99 3.32 0.01 -1.26 -4.86 113.70 117.17 2qbf s SER 137 Ca 0.39 1.24 -0.12 0.00 1.31 0.00 0.00 55.95 58.76 2qbf s SER 137 Cb -0.05 -1.90 0.18 0.00 0.21 0.00 0.00 66.02 64.46 2qbf s SER 137 CO 0.01 -4.16 1.09 -2.16 0.41 0.00 0.00 173.24 168.43 2qbf s PRO 138 N -4.75 0.50 0.00 12.44 0.04 -1.26 -3.36 135.00 138.61 2qbf s PRO 138 Ca 0.68 0.58 0.00 0.00 0.04 0.00 0.00 61.00 62.30 2qbf s PRO 138 Cb -0.21 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.59 2qbf s PRO 138 CO 0.61 -2.70 0.00 0.09 0.04 0.00 0.00 177.00 175.05 2qbf n ASN 139 N -4.16 0.00 -4.51 6.66 3.02 0.66 -4.94 115.26 111.99 2qbf n ASN 139 Ca 0.05 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.30 2qbf n ASN 139 Cb 0.57 -0.70 0.19 0.00 -0.61 0.00 0.00 39.78 39.22 2qbf n ASN 139 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2qbf n ASP 140 N 0.00 -1.13 -3.75 6.41 8.00 -1.21 -4.64 116.55 120.22 2qbf n ASP 140 Ca 0.00 0.14 -0.29 0.00 0.71 0.00 0.00 54.79 55.35 2qbf n ASP 140 Cb 0.00 -1.29 -0.16 0.00 -0.02 0.00 0.00 41.12 39.65 2qbf n ASP 140 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2qbf s VAL 141 N -2.47 0.79 -0.10 2.53 1.01 -1.26 -0.27 120.40 120.64 2qbf s VAL 141 Ca 0.64 -1.07 -0.18 0.00 0.00 0.00 0.00 61.98 61.37 2qbf s VAL 141 Cb -0.22 -1.44 -0.05 0.00 0.00 0.00 0.00 36.38 34.67 2qbf s VAL 141 CO 0.63 -0.46 0.46 -0.69 0.00 0.00 0.00 175.10 175.04 2qbf s VAL 142 N 1.69 5.15 0.20 2.92 1.01 0.51 -0.61 120.40 131.28 2qbf s VAL 142 Ca 0.04 0.93 -0.06 0.00 0.00 0.00 0.00 61.98 62.89 2qbf s VAL 142 Cb -0.17 -3.80 -0.02 0.00 0.00 0.00 0.00 36.38 32.39 2qbf s VAL 142 CO -0.18 0.37 0.27 -0.94 0.00 0.00 0.00 175.10 174.63 2qbf s SER 143 N 0.32 0.06 -0.16 3.32 1.04 0.10 -1.21 113.70 117.18 2qbf s SER 143 Ca 0.25 -1.13 -0.08 0.00 0.48 0.00 0.00 55.95 55.48 2qbf s SER 143 Cb -0.15 0.45 -0.04 0.00 0.10 0.00 0.00 66.02 66.38 2qbf s SER 143 CO 0.11 -0.94 0.11 -0.63 0.98 0.00 0.00 173.24 172.87 2qbf s ILE 144 N -4.07 5.27 -0.04 -1.02 1.01 -1.14 0.29 121.20 121.49 2qbf s ILE 144 Ca 0.28 0.13 -0.33 0.00 0.00 0.00 0.00 60.65 60.73 2qbf s ILE 144 Cb 0.04 -3.34 -0.11 0.00 0.01 0.00 0.00 42.46 39.06 2qbf s ILE 144 CO 0.08 0.53 1.91 0.54 0.00 0.00 0.00 174.94 178.00 2qbf n ARG 145 N 2.81 2.41 0.32 2.79 5.12 -0.22 -4.70 116.66 125.18 2qbf n ARG 145 Ca -0.18 0.88 0.19 0.00 -1.93 0.00 0.00 57.85 56.81 2qbf n ARG 145 Cb 0.53 -2.77 1.07 0.00 -1.16 0.00 0.00 32.46 30.13 2qbf n ARG 145 CO 0.00 0.00 0.00 1.05 -1.93 0.00 0.00 177.63 176.75 2qbf h GLU 146 N 9.63 0.00 0.00 5.56 -0.00 -1.96 0.49 114.58 128.31 2qbf h GLU 146 Ca -0.49 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.87 2qbf h GLU 146 Cb 1.26 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.01 2qbf h GLU 146 CO 0.95 0.00 0.00 1.57 -0.00 0.00 0.00 179.01 181.53 2qbf h LYS 147 N 0.00 0.00 0.00 1.06 5.09 -1.98 -3.07 116.57 117.67 2qbf h LYS 147 Ca 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 60.65 60.65 2qbf h LYS 147 Cb 0.01 0.00 -0.14 0.00 0.10 0.00 0.00 32.23 32.20 2qbf h LYS 147 CO -0.00 0.00 -0.42 0.00 -2.09 0.00 0.00 179.45 176.94 2qbf n ALA 148 N -1.94 2.80 0.26 0.07 0.00 -0.30 -4.89 120.51 116.50 2qbf n ALA 148 Ca -0.02 -0.95 0.12 0.00 0.00 0.00 0.00 53.44 52.60 2qbf n ALA 148 Cb 0.08 -0.37 0.19 0.00 0.00 0.00 0.00 19.45 19.36 2qbf n ALA 148 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 2qbf h LYS 149 N 0.23 0.00 -0.88 0.00 2.10 0.01 -2.97 116.57 115.06 2qbf h LYS 149 Ca -0.28 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.30 2qbf h LYS 149 Cb 1.42 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.71 2qbf h LYS 149 CO -0.09 0.00 0.09 1.17 -2.00 0.00 0.00 179.45 178.61 2qbf n LYS 150 N -3.03 2.27 -1.03 0.07 3.00 -1.26 -4.76 118.16 113.42 2qbf n LYS 150 Ca 0.04 -1.28 -0.30 0.00 -0.00 0.00 0.00 58.31 56.77 2qbf n LYS 150 Cb 0.52 -1.71 0.16 0.00 0.00 0.00 0.00 35.03 34.00 2qbf n LYS 150 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.40 176.26 2qbf s GLN 151 N -1.61 0.89 -0.11 1.64 0.74 -1.12 -5.00 119.66 115.09 2qbf s GLN 151 Ca 0.23 0.93 -0.09 0.00 0.05 0.00 0.00 55.36 56.48 2qbf s GLN 151 Cb 0.18 -1.76 -0.08 0.00 1.10 0.00 0.00 33.01 32.45 2qbf s GLN 151 CO 0.06 -2.53 0.25 1.03 -0.55 0.00 0.00 175.29 173.56 2qbf h SER 152 N -1.76 -0.02 -0.85 6.67 0.87 -1.91 -3.33 113.55 113.22 2qbf h SER 152 Ca -0.50 -0.29 0.21 0.00 -1.23 0.00 0.00 61.79 59.98 2qbf h SER 152 Cb 1.29 0.00 -0.15 0.00 -0.44 0.00 0.00 62.40 63.11 2qbf h SER 152 CO 0.52 0.62 0.09 0.08 -0.53 0.00 0.00 176.83 177.61 2qbf h ARG 153 N -1.00 0.12 0.28 2.24 0.11 -1.98 -1.65 114.38 112.49 2qbf h ARG 153 Ca -0.00 -0.01 -0.01 0.00 0.10 0.00 0.00 59.98 60.06 2qbf h ARG 153 Cb 0.30 -0.03 -0.01 0.00 1.11 0.00 0.00 29.97 31.35 2qbf h ARG 153 CO 0.00 0.08 -0.23 -0.39 0.10 0.00 0.00 179.97 179.53 2qbf h VAL 154 N 0.12 0.00 -0.34 0.08 -1.51 -1.92 -0.97 116.25 111.71 2qbf h VAL 154 Ca 0.50 0.00 0.07 0.00 -1.23 0.00 0.00 66.70 66.04 2qbf h VAL 154 Cb 0.97 0.00 -0.06 0.00 -2.13 0.00 0.00 31.29 30.07 2qbf h VAL 154 CO -0.72 0.00 -0.06 0.07 -1.23 0.00 0.00 177.57 175.63 2qbf h LYS 155 N -0.49 0.03 -0.95 5.19 2.10 -1.61 -0.75 116.57 120.08 2qbf h LYS 155 Ca -0.04 -0.00 0.15 0.00 -2.00 0.00 0.00 60.65 58.77 2qbf h LYS 155 Cb 0.41 -0.01 -0.08 0.00 -0.90 0.00 0.00 32.23 31.66 2qbf h LYS 155 CO 0.00 0.02 0.60 0.00 -2.00 0.00 0.00 179.45 178.07 2qbf h ALA 156 N 1.33 1.76 0.09 0.07 0.00 -1.29 -1.45 119.26 119.76 2qbf h ALA 156 Ca 0.16 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 2qbf h ALA 156 Cb 0.24 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2qbf h ALA 156 CO -0.33 -0.03 -0.04 0.00 0.00 0.00 0.00 179.25 178.85 2qbf h ALA 157 N 1.59 -0.12 0.00 0.00 0.00 0.23 -2.58 119.26 118.39 2qbf h ALA 157 Ca 0.49 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2qbf h ALA 157 Cb 0.75 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2qbf h ALA 157 CO -0.26 -0.43 0.44 -0.07 0.00 0.00 0.00 179.25 178.93 2qbf h LEU 158 N -0.39 0.00 0.00 0.00 3.38 -0.22 -2.13 115.31 115.95 2qbf h LEU 158 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2qbf h LEU 158 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2qbf h LEU 158 CO 0.02 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.93 2qbf n GLU 159 N -2.60 0.00 0.33 1.13 1.02 -0.97 -2.27 120.64 117.27 2qbf n GLU 159 Ca -0.01 0.00 0.15 0.00 -0.02 0.00 0.00 57.16 57.28 2qbf n GLU 159 Cb 0.47 -0.77 0.82 0.00 -0.02 0.00 0.00 31.44 31.94 2qbf n GLU 159 CO 0.00 0.00 0.00 1.37 1.18 0.00 0.00 177.13 179.68 2qbf h LEU 160 N 0.00 0.00 -0.81 -4.62 -0.00 -1.65 0.87 115.31 109.10 2qbf h LEU 160 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.88 57.77 2qbf h LEU 160 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.65 2qbf h LEU 160 CO 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 178.44 178.13 2qbf h ALA 161 N 1.34 0.98 0.01 0.17 0.00 -1.44 0.39 119.26 120.70 2qbf h ALA 161 Ca 0.01 -0.39 -0.19 0.00 0.00 0.00 0.00 54.91 54.34 2qbf h ALA 161 Cb 0.68 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 2qbf h ALA 161 CO -0.00 0.60 -0.90 1.49 0.00 0.00 0.00 179.25 180.44 2qbf h GLU 162 N 0.46 0.05 -0.06 0.00 4.22 0.12 -3.25 114.58 116.12 2qbf h GLU 162 Ca 0.06 -0.07 -0.02 0.00 0.08 0.00 0.00 59.36 59.41 2qbf h GLU 162 Cb 0.77 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.04 2qbf h GLU 162 CO 0.06 0.92 -0.04 1.96 -2.18 0.00 0.00 179.01 179.73 2qbf h GLN 163 N 0.02 0.13 -7.44 1.92 4.20 -0.76 -3.45 115.11 109.73 2qbf h GLN 163 Ca -0.02 -0.06 -0.45 0.00 0.06 0.00 0.00 58.65 58.17 2qbf h GLN 163 Cb 1.58 -0.00 0.15 0.00 0.30 0.00 0.00 27.48 29.50 2qbf h GLN 163 CO 0.12 0.55 0.25 1.03 -0.67 0.00 0.00 178.83 180.11 2qbf s ARG 164 N -4.40 0.72 1.02 1.46 3.00 0.13 -4.99 118.95 115.90 2qbf s ARG 164 Ca -0.15 0.35 -0.18 0.00 0.00 0.00 0.00 55.73 55.75 2qbf s ARG 164 Cb 0.03 -1.79 -0.01 0.00 0.00 0.00 0.00 34.95 33.18 2qbf s ARG 164 CO 0.70 -2.49 -0.28 -1.91 0.00 0.00 0.00 175.30 171.31 2qbf n GLU 165 N -3.98 -0.63 -4.75 3.54 4.07 -1.26 -4.86 120.64 112.76 2qbf n GLU 165 Ca 0.06 -0.16 -0.25 0.00 -0.06 0.00 0.00 57.16 56.75 2qbf n GLU 165 Cb 0.58 -1.50 -0.16 0.00 -0.06 0.00 0.00 31.44 30.30 2qbf n GLU 165 CO 0.00 0.00 0.00 0.21 -0.06 0.00 0.00 177.13 177.28 2qbf s LYS 166 N -3.00 1.57 0.56 5.31 2.20 -1.26 -4.84 119.74 120.28 2qbf s LYS 166 Ca 0.50 -0.56 -0.17 0.00 -0.36 0.00 0.00 55.97 55.39 2qbf s LYS 166 Cb -0.12 -1.40 -0.05 0.00 -1.51 0.00 0.00 37.83 34.75 2qbf s LYS 166 CO 0.70 0.24 1.04 -1.25 -0.36 0.00 0.00 175.35 175.72 2qbf s PRO 167 N -0.01 3.50 -0.01 4.03 0.04 -1.26 -4.99 135.00 136.29 2qbf s PRO 167 Ca -0.02 1.18 0.08 0.00 0.04 0.00 0.00 61.00 62.28 2qbf s PRO 167 Cb -0.10 -2.06 0.22 0.00 0.04 0.00 0.00 34.50 32.60 2qbf s PRO 167 CO 0.01 -0.66 1.18 0.25 0.04 0.00 0.00 177.00 177.82 2qbf n THR 168 N -1.80 1.05 -0.88 1.26 -2.24 -1.26 -4.54 114.28 105.86 2qbf n THR 168 Ca 0.08 -1.05 0.08 0.00 -2.27 0.00 0.00 64.05 60.90 2qbf n THR 168 Cb 0.53 0.47 0.28 0.00 -2.10 0.00 0.00 70.33 69.51 2qbf n THR 168 CO 0.00 0.00 0.00 -2.67 -0.57 0.00 0.00 175.07 171.83 2qbf n TRP 169 N 0.15 1.15 -3.58 4.78 2.14 -1.26 -4.98 117.44 115.84 2qbf n TRP 169 Ca 0.08 -0.80 -0.10 0.00 2.07 0.00 0.00 57.50 58.76 2qbf n TRP 169 Cb 0.39 -0.32 -0.05 0.00 -0.81 0.00 0.00 31.31 30.52 2qbf n TRP 169 CO 0.00 0.00 0.00 -0.48 2.07 0.00 0.00 177.69 179.28 2qbf s LEU 170 N -2.60 -0.33 -0.12 5.67 0.05 -1.26 -1.60 118.68 118.48 2qbf s LEU 170 Ca 0.43 0.35 -0.01 0.00 0.05 0.00 0.00 54.13 54.95 2qbf s LEU 170 Cb 0.34 1.78 -0.03 0.00 -2.05 0.00 0.00 46.19 46.24 2qbf s LEU 170 CO 0.12 -0.32 -0.07 -1.61 -0.55 0.00 0.00 176.35 173.92 2qbf s GLU 171 N -1.18 3.28 -0.04 1.48 2.02 -0.16 -4.84 118.70 119.26 2qbf s GLU 171 Ca -0.00 -0.56 0.03 0.00 0.02 0.00 0.00 54.97 54.45 2qbf s GLU 171 Cb -0.01 -2.74 0.01 0.00 0.10 0.00 0.00 34.13 31.49 2qbf s GLU 171 CO 0.00 0.39 -0.12 0.54 0.02 0.00 0.00 175.26 176.09 2qbf s VAL 172 N -0.07 1.06 -0.86 2.63 0.11 -1.26 0.10 120.40 122.11 2qbf s VAL 172 Ca 0.01 -0.49 -0.09 0.00 -2.93 0.00 0.00 61.98 58.48 2qbf s VAL 172 Cb -0.13 -0.94 0.22 0.00 -1.53 0.00 0.00 36.38 33.99 2qbf s VAL 172 CO 0.03 0.32 0.78 -0.62 -3.33 0.00 0.00 175.10 172.28 2qbf s ASP 173 N 0.32 6.45 0.59 3.54 -1.08 -1.03 -4.90 116.67 120.55 2qbf s ASP 173 Ca -0.07 -3.08 0.30 0.00 -0.52 0.00 0.00 52.55 49.18 2qbf s ASP 173 Cb -0.12 -2.09 1.28 0.00 -1.46 0.00 0.00 42.92 40.53 2qbf s ASP 173 CO 0.02 -0.41 1.62 0.00 0.52 0.00 0.00 175.17 176.92 2qbf h ALA 174 N 7.11 2.73 -2.82 3.66 0.00 -1.93 -2.18 119.26 125.82 2qbf h ALA 174 Ca 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2qbf h ALA 174 Cb 0.95 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2qbf h ALA 174 CO 0.81 -1.35 0.00 0.41 0.00 0.00 0.00 179.25 179.12 2qbf n GLY 175 N -1.65 -2.88 2.30 0.00 0.00 -1.26 -3.80 105.19 97.89 2qbf n GLY 175 Ca 0.19 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 2qbf n GLY 175 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2qbf n LYS 176 N -0.59 2.25 -3.98 1.61 -0.00 -1.11 -4.86 118.16 111.47 2qbf n LYS 176 Ca 0.00 -2.26 -0.31 0.00 -0.00 0.00 0.00 58.31 55.74 2qbf n LYS 176 Cb 0.00 -1.98 -0.04 0.00 -0.00 0.00 0.00 35.03 33.01 2qbf n LYS 176 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 2qbf n MET 177 N 0.40 -0.69 -3.10 -1.58 2.81 -1.05 -4.86 117.12 109.05 2qbf n MET 177 Ca 0.44 0.01 -0.18 0.00 -1.81 0.00 0.00 57.70 56.16 2qbf n MET 177 Cb 0.55 -2.35 0.01 0.00 -0.71 0.00 0.00 33.22 30.71 2qbf n MET 177 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 2qbf s GLU 178 N -6.72 2.76 -0.30 0.03 0.41 -0.85 -2.89 118.70 111.15 2qbf s GLU 178 Ca 0.18 -1.30 -0.19 0.00 -0.41 0.00 0.00 54.97 53.24 2qbf s GLU 178 Cb -0.10 -2.69 0.19 0.00 -1.78 0.00 0.00 34.13 29.74 2qbf s GLU 178 CO 0.79 -0.28 1.26 0.20 -0.49 0.00 0.00 175.26 176.74 2qbf s GLY 179 N -4.33 0.14 -0.23 -1.39 0.00 -0.35 -2.47 107.32 98.70 2qbf s GLY 179 Ca 0.54 3.47 -0.03 0.00 0.00 0.00 0.00 44.72 48.70 2qbf s GLY 179 CO 0.32 3.60 -0.05 -1.59 0.00 0.00 0.00 173.10 175.38 2qbf s THR 180 N 2.40 3.14 -1.20 0.90 2.01 0.28 0.19 115.64 123.36 2qbf s THR 180 Ca -0.03 -0.72 -0.22 0.00 0.31 0.00 0.00 61.69 61.02 2qbf s THR 180 Cb -0.04 -2.49 -0.08 0.00 0.01 0.00 0.00 72.50 69.90 2qbf s THR 180 CO -0.13 0.33 1.92 0.12 -0.69 0.00 0.00 174.62 176.18 2qbf s PHE 181 N 1.41 2.01 0.15 4.92 5.36 0.63 -0.99 117.98 131.47 2qbf s PHE 181 Ca 0.04 0.34 -0.26 0.00 -0.96 0.00 0.00 56.93 56.08 2qbf s PHE 181 Cb -0.15 -4.04 -0.03 0.00 -0.34 0.00 0.00 43.02 38.46 2qbf s PHE 181 CO -0.04 -1.22 1.38 1.63 -1.46 0.00 0.00 175.22 175.50 2qbf n LYS 182 N 8.28 -0.37 -3.62 10.12 5.02 -1.09 -0.25 118.16 136.25 2qbf n LYS 182 Ca 0.45 1.35 0.01 0.00 -2.02 0.00 0.00 58.31 58.11 2qbf n LYS 182 Cb 0.46 -1.99 -0.01 0.00 -0.02 0.00 0.00 35.03 33.48 2qbf n LYS 182 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 2qbf s ARG 183 N -5.50 0.42 0.26 1.97 1.04 -0.63 -3.72 118.95 112.80 2qbf s ARG 183 Ca -0.11 -0.23 -0.29 0.00 -1.04 0.00 0.00 55.73 54.06 2qbf s ARG 183 Cb 0.11 0.15 -0.14 0.00 -2.04 0.00 0.00 34.95 33.02 2qbf s ARG 183 CO 0.57 -0.19 1.11 1.63 -0.04 0.00 0.00 175.30 178.37 2qbf n LYS 184 N -0.47 1.44 -2.31 3.89 4.76 -1.26 -4.67 118.16 119.54 2qbf n LYS 184 Ca -0.08 0.51 -0.43 0.00 -2.87 0.00 0.00 58.31 55.44 2qbf n LYS 184 Cb 0.63 -1.95 -0.02 0.00 -1.84 0.00 0.00 35.03 31.84 2qbf n LYS 184 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2qbf s PRO 185 N -1.20 4.01 0.45 1.97 0.04 -1.26 -4.95 135.00 134.06 2qbf s PRO 185 Ca 0.63 1.57 -0.23 0.00 0.04 0.00 0.00 61.00 63.01 2qbf s PRO 185 Cb -0.72 -3.89 -0.08 0.00 0.04 0.00 0.00 34.50 29.85 2qbf s PRO 185 CO 0.57 -1.00 1.11 -2.00 0.04 0.00 0.00 177.00 175.72 2qbf s GLU 186 N 4.06 3.87 0.31 4.56 -6.30 -1.26 -4.75 118.70 119.20 2qbf s GLU 186 Ca 0.61 1.62 0.05 0.00 -2.50 0.00 0.00 54.97 54.74 2qbf s GLU 186 Cb -0.22 -2.38 0.68 0.00 0.00 0.00 0.00 34.13 32.21 2qbf s GLU 186 CO 0.22 -0.42 1.84 -0.09 0.02 0.00 0.00 175.26 176.84 2qbf h ARG 187 N 2.07 0.83 -1.00 4.30 9.65 -1.94 0.50 114.38 128.79 2qbf h ARG 187 Ca -0.49 -0.05 0.25 0.00 -1.10 0.00 0.00 59.98 58.59 2qbf h ARG 187 Cb 1.23 -0.19 -0.08 0.00 -1.39 0.00 0.00 29.97 29.54 2qbf h ARG 187 CO 0.60 0.55 0.65 0.77 2.80 0.00 0.00 179.97 185.35 2qbf h SER 188 N 0.86 0.41 0.00 -3.80 0.02 -1.98 0.58 113.55 109.65 2qbf h SER 188 Ca 0.48 0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 61.47 2qbf h SER 188 Cb 0.61 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 2qbf h SER 188 CO -0.25 0.11 -1.57 -0.90 -1.14 0.00 0.00 176.83 173.08 2qbf n ASP 189 N -4.56 2.28 0.17 3.07 5.68 -0.43 -4.44 116.55 118.32 2qbf n ASP 189 Ca 0.23 0.00 0.12 0.00 -0.50 0.00 0.00 54.79 54.64 2qbf n ASP 189 Cb 0.83 1.44 0.13 0.00 -1.14 0.00 0.00 41.12 42.38 2qbf n ASP 189 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 2qbf h LEU 190 N 0.00 0.00 -9.21 -2.12 6.46 0.43 -3.47 115.31 107.39 2qbf h LEU 190 Ca -0.04 -0.01 -0.50 0.00 -0.12 0.00 0.00 57.88 57.21 2qbf h LEU 190 Cb 0.70 0.00 0.25 0.00 -0.73 0.00 0.00 40.66 40.88 2qbf h LEU 190 CO 0.00 0.00 -1.99 -1.54 -0.62 0.00 0.00 178.44 174.30 2qbf n SER 191 N -2.88 -3.52 0.00 1.25 3.41 0.20 -5.00 113.62 107.08 2qbf n SER 191 Ca 0.03 0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 2qbf n SER 191 Cb 0.53 -0.72 0.00 0.00 -0.26 0.00 0.00 64.21 63.75 2qbf n SER 191 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qbf n ALA 192 N -3.46 0.00 0.64 7.33 0.00 -1.26 -4.97 120.51 118.79 2qbf n ALA 192 Ca -0.01 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.47 2qbf n ALA 192 Cb 0.66 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.27 2qbf n ALA 192 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2qbf n ASP 193 N 0.00 2.27 -4.61 0.00 8.00 -1.26 -4.83 116.55 116.11 2qbf n ASP 193 Ca 0.00 -2.17 -0.41 0.00 0.71 0.00 0.00 54.79 52.92 2qbf n ASP 193 Cb 0.00 -0.37 -0.06 0.00 -0.02 0.00 0.00 41.12 40.66 2qbf n ASP 193 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 2qbf s ILE 194 N -1.65 4.96 -1.03 0.53 2.07 -1.26 -5.00 121.20 119.82 2qbf s ILE 194 Ca 0.22 1.00 -0.05 0.00 -1.41 0.00 0.00 60.65 60.41 2qbf s ILE 194 Cb 0.14 -3.96 0.26 0.00 0.13 0.00 0.00 42.46 39.03 2qbf s ILE 194 CO 0.11 -0.05 1.05 0.59 -1.91 0.00 0.00 174.94 174.72 2qbf n ASN 195 N 5.79 5.15 -0.26 4.50 4.13 -1.26 -4.93 115.26 128.38 2qbf n ASN 195 Ca -0.01 -3.14 0.03 0.00 1.68 0.00 0.00 54.58 53.15 2qbf n ASN 195 Cb 0.49 -1.23 0.11 0.00 -1.54 0.00 0.00 39.78 37.61 2qbf n ASN 195 CO 0.00 0.00 0.00 1.05 0.28 0.00 0.00 177.26 178.59 2qbf h GLU 196 N 6.17 0.02 -1.43 3.52 9.09 -1.94 -1.62 114.58 128.39 2qbf h GLU 196 Ca 0.18 -0.00 0.46 0.00 0.05 0.00 0.00 59.36 60.05 2qbf h GLU 196 Cb 0.81 -0.01 -0.12 0.00 -1.65 0.00 0.00 28.75 27.78 2qbf h GLU 196 CO 1.00 0.02 0.95 1.12 0.05 0.00 0.00 179.01 182.15 2qbf h HIS 197 N 0.03 0.42 -0.38 2.06 2.07 -1.93 0.55 115.15 117.97 2qbf h HIS 197 Ca 0.38 0.02 0.00 0.00 -2.85 0.00 0.00 60.37 57.93 2qbf h HIS 197 Cb 0.62 -0.10 -0.02 0.00 2.57 0.00 0.00 27.41 30.48 2qbf h HIS 197 CO -0.55 -0.18 0.25 -0.07 -3.07 0.00 0.00 177.93 174.31 2qbf h LEU 198 N 0.05 0.44 -0.37 6.12 3.38 -1.70 -2.42 115.31 120.81 2qbf h LEU 198 Ca 0.84 -0.01 -0.18 0.00 0.09 0.00 0.00 57.88 58.61 2qbf h LEU 198 Cb 2.80 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 43.44 2qbf h LEU 198 CO -0.35 0.32 -0.63 0.16 0.09 0.00 0.00 178.44 178.03 2qbf h ILE 199 N 0.51 1.31 0.00 1.22 -0.00 -0.08 -2.15 117.51 118.33 2qbf h ILE 199 Ca 0.14 -1.87 0.00 0.00 -0.00 0.00 0.00 64.86 63.13 2qbf h ILE 199 Cb -0.06 1.83 0.00 0.00 -0.00 0.00 0.00 36.82 38.59 2qbf h ILE 199 CO -0.03 0.59 0.00 1.33 -0.00 0.00 0.00 178.15 180.04 2qbf n VAL 200 N -3.95 0.99 -0.11 0.16 0.24 -0.72 -2.10 118.33 112.84 2qbf n VAL 200 Ca -0.05 0.59 -0.24 0.00 -2.04 0.00 0.00 64.34 62.61 2qbf n VAL 200 Cb 0.66 -1.57 -0.11 0.00 -1.47 0.00 0.00 33.84 31.34 2qbf n VAL 200 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2qbf n GLU 201 N -2.25 0.58 -0.39 7.34 1.02 -0.93 -4.13 120.64 121.89 2qbf n GLU 201 Ca -0.00 0.48 0.39 0.00 -0.02 0.00 0.00 57.16 58.00 2qbf n GLU 201 Cb 0.09 -1.68 0.73 0.00 -0.02 0.00 0.00 31.44 30.56 2qbf n GLU 201 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2qbf h LEU 202 N -0.92 0.00 -3.06 -4.62 5.85 -0.84 0.71 115.31 112.43 2qbf h LEU 202 Ca -0.45 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.06 2qbf h LEU 202 Cb 1.44 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 42.36 2qbf h LEU 202 CO -0.25 0.00 0.28 -1.22 -0.34 0.00 0.00 178.44 176.91 2qbf n TYR 203 N -3.93 1.12 -0.26 1.25 0.53 -1.09 -3.09 117.16 111.70 2qbf n TYR 203 Ca 0.29 -1.39 0.00 0.00 -1.02 0.00 0.00 57.90 55.79 2qbf n TYR 203 Cb 1.47 -0.69 0.00 0.00 -1.03 0.00 0.00 39.34 39.09 2qbf n TYR 203 CO 0.00 0.00 0.00 0.43 -1.02 0.00 0.00 176.86 176.27 2qbf n SER 204 N 0.31 0.00 0.00 7.72 7.64 0.25 -5.08 113.62 124.47 2qbf n SER 204 Ca 0.22 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.10 2qbf n SER 204 Cb 0.72 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.92 2qbf n SER 204 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20