#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbg h GLU 2 N 0.00 0.12 -3.29 0.03 4.39 -1.98 -3.22 114.58 110.62 2qbg h GLU 2 Ca 0.00 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 59.49 2qbg h GLU 2 Cb 0.00 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 2qbg h GLU 2 CO 0.00 1.10 -0.05 -2.37 -1.16 0.00 0.00 179.01 176.53 2qbg n THR 3 N -4.02 -0.57 -4.43 1.13 5.66 -1.26 -4.04 114.28 106.74 2qbg n THR 3 Ca -0.32 0.02 -0.24 0.00 -3.05 0.00 0.00 64.05 60.46 2qbg n THR 3 Cb 0.84 -1.34 -0.09 0.00 -1.55 0.00 0.00 70.33 68.19 2qbg n THR 3 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 175.07 172.29 2qbg s ILE 4 N -0.05 2.67 -0.06 1.09 -4.36 -1.26 -3.49 121.20 115.75 2qbg s ILE 4 Ca 0.00 -2.26 -0.05 0.00 -0.26 0.00 0.00 60.65 58.08 2qbg s ILE 4 Cb 0.00 -2.47 0.02 0.00 1.25 0.00 0.00 42.46 41.26 2qbg s ILE 4 CO 0.00 -0.37 0.16 0.00 0.24 0.00 0.00 174.94 174.97 2qbg s ALA 5 N -2.48 -0.37 0.06 2.27 0.00 -0.49 -4.95 121.76 115.80 2qbg s ALA 5 Ca 0.31 0.49 0.02 0.00 0.00 0.00 0.00 51.96 52.78 2qbg s ALA 5 Cb -0.04 -0.30 -0.03 0.00 0.00 0.00 0.00 23.12 22.75 2qbg s ALA 5 CO 0.16 -0.09 -0.07 -1.59 0.00 0.00 0.00 175.76 174.17 2qbg s LYS 6 N 0.30 0.63 -0.37 0.00 -2.85 -1.26 -0.59 119.74 115.60 2qbg s LYS 6 Ca -0.02 -0.96 -0.01 0.00 -1.00 0.00 0.00 55.97 53.98 2qbg s LYS 6 Cb -0.03 -0.24 0.10 0.00 -2.06 0.00 0.00 37.83 35.59 2qbg s LYS 6 CO -0.01 0.02 0.13 -1.58 0.10 0.00 0.00 175.35 174.01 2qbg s HIS 7 N -2.21 3.56 0.14 1.78 2.46 0.35 -4.98 115.29 116.39 2qbg s HIS 7 Ca -0.02 -2.45 -0.15 0.00 0.47 0.00 0.00 55.06 52.91 2qbg s HIS 7 Cb -0.04 -2.93 -0.07 0.00 -0.13 0.00 0.00 32.58 29.41 2qbg s HIS 7 CO -0.02 -0.93 0.55 1.03 -2.47 0.00 0.00 174.74 172.89 2qbg s ARG 8 N 1.11 4.00 -1.15 2.88 0.52 -1.26 -0.94 118.95 124.09 2qbg s ARG 8 Ca 0.06 0.51 -0.01 0.00 -0.52 0.00 0.00 55.73 55.77 2qbg s ARG 8 Cb -0.21 -2.97 0.00 0.00 0.52 0.00 0.00 34.95 32.29 2qbg s ARG 8 CO -0.04 0.50 0.10 0.72 0.02 0.00 0.00 175.30 176.60 2qbg n HIS 9 N 0.91 -0.83 -1.64 -0.53 8.25 -1.12 -4.95 115.22 115.31 2qbg n HIS 9 Ca -0.06 0.09 -0.41 0.00 -0.26 0.00 0.00 57.72 57.07 2qbg n HIS 9 Cb 0.52 -3.08 0.01 0.00 1.12 0.00 0.00 29.99 28.56 2qbg n HIS 9 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2qbg n ALA 10 N -2.00 0.59 -2.73 -1.41 0.00 0.14 -4.74 120.51 110.36 2qbg n ALA 10 Ca -0.14 0.26 -0.43 0.00 0.00 0.00 0.00 53.44 53.12 2qbg n ALA 10 Cb 0.61 -2.15 0.01 0.00 0.00 0.00 0.00 19.45 17.92 2qbg n ALA 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qbg n ARG 11 N 0.15 3.91 0.00 0.00 5.12 -1.26 -2.23 116.66 122.35 2qbg n ARG 11 Ca 0.08 -4.02 0.00 0.00 -1.93 0.00 0.00 57.85 51.99 2qbg n ARG 11 Cb 0.39 -2.75 0.00 0.00 -1.16 0.00 0.00 32.46 28.93 2qbg n ARG 11 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2qbg n SER 12 N 3.00 0.00 0.00 0.55 2.88 -1.25 -5.05 113.62 113.75 2qbg n SER 12 Ca 0.33 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.87 2qbg n SER 12 Cb 0.36 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.82 2qbg n SER 12 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2qbg n SER 13 N -0.92 0.00 0.00 -3.46 3.41 -1.21 -4.66 113.62 106.78 2qbg n SER 13 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2qbg n SER 13 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2qbg n SER 13 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qbg n ALA 14 N 0.00 0.00 0.25 7.33 0.00 -1.26 -2.94 120.51 123.89 2qbg n ALA 14 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 2qbg n ALA 14 Cb 0.00 0.00 0.71 0.00 0.00 0.00 0.00 19.45 20.16 2qbg n ALA 14 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 2qbg h GLN 15 N 0.00 0.00 0.00 0.00 3.07 -1.97 1.52 115.11 117.73 2qbg h GLN 15 Ca 0.00 0.00 -0.18 0.00 0.09 0.00 0.00 58.65 58.56 2qbg h GLN 15 Cb 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.53 2qbg h GLN 15 CO 0.00 0.00 -1.05 0.87 0.09 0.00 0.00 178.83 178.74 2qbg h LYS 16 N 0.00 0.00 0.00 0.06 1.57 -1.96 -3.23 116.57 113.01 2qbg h LYS 16 Ca 0.00 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.54 2qbg h LYS 16 Cb 0.41 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.68 2qbg h LYS 16 CO 0.00 0.61 -1.54 0.28 -0.57 0.00 0.00 179.45 178.22 2qbg n VAL 17 N -3.16 1.51 0.32 0.50 0.31 0.35 -4.02 118.33 114.14 2qbg n VAL 17 Ca -0.04 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 2qbg n VAL 17 Cb 0.87 -2.09 0.00 0.00 -0.91 0.00 0.00 33.84 31.71 2qbg n VAL 17 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 2qbg n ARG 18 N -4.40 0.23 -0.08 5.55 1.85 0.43 -0.09 116.66 120.14 2qbg n ARG 18 Ca -0.33 0.00 -0.14 0.00 -1.00 0.00 0.00 57.85 56.38 2qbg n ARG 18 Cb 0.66 -1.07 -0.14 0.00 -1.05 0.00 0.00 32.46 30.86 2qbg n ARG 18 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51 2qbg n LEU 19 N 0.02 1.49 -0.08 2.89 7.94 -1.22 -4.18 117.00 123.86 2qbg n LEU 19 Ca 0.00 0.07 -0.14 0.00 -1.11 0.00 0.00 56.01 54.83 2qbg n LEU 19 Cb 0.03 -0.25 -0.14 0.00 0.53 0.00 0.00 43.42 43.59 2qbg n LEU 19 CO 0.00 0.67 -1.04 0.55 -1.11 0.00 0.00 177.39 176.46 2qbg n VAL 20 N -3.08 1.52 -0.14 1.96 3.14 0.86 -4.19 118.33 118.41 2qbg n VAL 20 Ca -0.34 -0.73 0.23 0.00 -2.96 0.00 0.00 64.34 60.54 2qbg n VAL 20 Cb 1.07 -1.04 0.65 0.00 -1.06 0.00 0.00 33.84 33.46 2qbg n VAL 20 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2qbg h ALA 21 N 0.57 2.54 -0.28 1.55 0.00 -1.55 0.47 119.26 122.55 2qbg h ALA 21 Ca -0.49 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.34 2qbg h ALA 21 Cb 2.07 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.87 2qbg h ALA 21 CO 0.01 -0.76 -0.12 -0.44 0.00 0.00 0.00 179.25 177.94 2qbg h ASP 22 N 0.13 0.46 -0.97 0.00 5.19 -1.73 -2.35 116.42 117.15 2qbg h ASP 22 Ca 0.38 -0.12 0.03 0.00 -0.62 0.00 0.00 57.03 56.70 2qbg h ASP 22 Cb 1.31 -0.12 -0.05 0.00 0.18 0.00 0.00 39.33 40.64 2qbg h ASP 22 CO -0.05 0.62 0.64 -0.07 -3.12 0.00 0.00 179.24 177.25 2qbg h LEU 23 N 0.44 1.07 0.00 1.55 3.38 -0.26 -3.35 115.31 118.14 2qbg h LEU 23 Ca 0.08 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2qbg h LEU 23 Cb 0.48 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2qbg h LEU 23 CO 0.03 0.74 0.00 -0.38 0.09 0.00 0.00 178.44 178.92 2qbg n ILE 24 N -4.45 0.00 -0.41 1.22 5.41 -1.03 -4.82 119.36 115.28 2qbg n ILE 24 Ca 0.12 0.05 0.00 0.00 1.00 0.00 0.00 62.75 63.92 2qbg n ILE 24 Cb 0.07 -0.10 0.00 0.00 -0.71 0.00 0.00 39.64 38.90 2qbg n ILE 24 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 2qbg n ARG 25 N -0.33 0.00 0.00 0.38 0.63 -0.91 -1.86 116.66 114.57 2qbg n ARG 25 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2qbg n ARG 25 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 2qbg n ARG 25 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2qbg n GLY 26 N 0.47 2.79 3.57 5.14 0.00 0.19 -4.99 105.19 112.35 2qbg n GLY 26 Ca 0.00 -0.53 -0.19 0.00 0.00 0.00 0.00 46.02 45.30 2qbg n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qbg s LYS 27 N 0.00 1.74 0.67 1.61 1.02 -0.78 -4.35 119.74 119.66 2qbg s LYS 27 Ca 0.00 -0.38 0.00 0.00 0.02 0.00 0.00 55.97 55.61 2qbg s LYS 27 Cb 0.00 -5.01 0.00 0.00 -0.52 0.00 0.00 37.83 32.30 2qbg s LYS 27 CO 0.00 -4.66 0.00 1.63 -0.92 0.00 0.00 175.35 171.40 2qbg n LYS 28 N 8.43 0.00 0.00 1.68 4.76 -1.26 -2.69 118.16 129.08 2qbg n LYS 28 Ca 0.43 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.87 2qbg n LYS 28 Cb 0.46 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.65 2qbg n LYS 28 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2qbg n VAL 29 N 0.00 0.00 0.28 -0.18 0.31 -1.18 -0.82 118.33 116.74 2qbg n VAL 29 Ca 0.00 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.17 2qbg n VAL 29 Cb 0.00 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 32.85 2qbg n VAL 29 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2qbg h SER 30 N 0.00 -0.58 1.16 4.52 0.02 -1.82 -1.93 113.55 114.92 2qbg h SER 30 Ca 0.00 -0.01 -0.13 0.00 -0.84 0.00 0.00 61.79 60.81 2qbg h SER 30 Cb 0.00 0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 2qbg h SER 30 CO 0.00 -0.36 -0.60 1.56 -1.14 0.00 0.00 176.83 176.29 2qbg h GLN 31 N -0.76 0.00 0.00 3.45 1.08 -1.90 -2.52 115.11 114.45 2qbg h GLN 31 Ca -0.07 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.13 2qbg h GLN 31 Cb 0.56 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.99 2qbg h GLN 31 CO 0.12 0.60 0.00 0.00 -0.95 0.00 0.00 178.83 178.59 2qbg n ALA 32 N -2.28 1.95 -0.03 3.87 0.00 -1.05 -1.10 120.51 121.87 2qbg n ALA 32 Ca 0.01 -0.06 -0.05 0.00 0.00 0.00 0.00 53.44 53.33 2qbg n ALA 32 Cb 0.72 -1.16 -0.02 0.00 0.00 0.00 0.00 19.45 18.99 2qbg n ALA 32 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2qbg n LEU 33 N -0.89 1.00 0.07 0.00 4.77 -0.75 -4.50 117.00 116.69 2qbg n LEU 33 Ca 0.07 0.04 0.19 0.00 -0.03 0.00 0.00 56.01 56.28 2qbg n LEU 33 Cb 0.03 -0.16 0.72 0.00 -2.33 0.00 0.00 43.42 41.68 2qbg n LEU 33 CO 0.06 0.22 1.17 0.44 -1.33 0.00 0.00 177.39 177.95 2qbg h ASP 34 N -0.15 0.00 0.42 -1.43 3.45 -1.00 -0.11 116.42 117.60 2qbg h ASP 34 Ca -0.13 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.31 2qbg h ASP 34 Cb 1.13 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.91 2qbg h ASP 34 CO -0.07 0.00 -0.20 0.40 -1.57 0.00 0.00 179.24 177.80 2qbg h ILE 35 N 0.00 0.00 -0.35 0.35 1.08 -1.37 -2.59 117.51 114.63 2qbg h ILE 35 Ca 0.19 -0.12 0.08 0.00 -0.39 0.00 0.00 64.86 64.62 2qbg h ILE 35 Cb 0.83 0.00 -0.08 0.00 -3.07 0.00 0.00 36.82 34.50 2qbg h ILE 35 CO -0.00 0.00 -0.19 -0.07 -0.69 0.00 0.00 178.15 177.20 2qbg h LEU 36 N -0.68 -0.64 -1.81 1.44 -0.00 -1.63 0.31 115.31 112.30 2qbg h LEU 36 Ca -0.06 0.14 0.09 0.00 -0.00 0.00 0.00 57.88 58.06 2qbg h LEU 36 Cb 0.43 0.34 -0.01 0.00 -0.00 0.00 0.00 40.66 41.42 2qbg h LEU 36 CO 0.09 -0.22 0.50 0.71 -0.00 0.00 0.00 178.44 179.53 2qbg h THR 37 N -0.14 0.21 -2.14 0.22 1.35 -1.09 -2.22 112.91 109.10 2qbg h THR 37 Ca 0.18 0.00 -0.55 0.00 -0.55 0.00 0.00 66.41 65.49 2qbg h THR 37 Cb 0.41 0.57 -0.41 0.00 -1.73 0.00 0.00 68.15 66.98 2qbg h THR 37 CO -0.44 0.00 -0.88 -1.22 -0.25 0.00 0.00 175.52 172.73 2qbg n TYR 38 N -3.36 2.18 -2.75 4.73 4.02 0.10 -4.88 117.16 117.20 2qbg n TYR 38 Ca 0.05 -3.91 -0.06 0.00 -0.01 0.00 0.00 57.90 53.98 2qbg n TYR 38 Cb 0.64 -0.46 0.03 0.00 -0.02 0.00 0.00 39.34 39.54 2qbg n TYR 38 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 2qbg n THR 39 N 0.24 0.00 -1.53 -0.72 -2.24 -0.83 -4.86 114.28 104.34 2qbg n THR 39 Ca 0.28 -1.19 -0.22 0.00 -2.27 0.00 0.00 64.05 60.65 2qbg n THR 39 Cb 0.50 1.23 -0.15 0.00 -2.10 0.00 0.00 70.33 69.81 2qbg n THR 39 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2qbg n ASN 40 N 2.23 0.20 -3.64 3.42 0.23 -1.26 -4.75 115.26 111.68 2qbg n ASN 40 Ca 0.13 -0.82 -0.05 0.00 -0.53 0.00 0.00 54.58 53.30 2qbg n ASN 40 Cb 0.60 -1.07 -0.07 0.00 -2.08 0.00 0.00 39.78 37.17 2qbg n ASN 40 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 2qbg s LYS 41 N 8.01 0.57 0.15 -3.83 1.02 -1.26 -5.06 119.74 119.33 2qbg s LYS 41 Ca 1.16 0.97 -0.23 0.00 0.02 0.00 0.00 55.97 57.88 2qbg s LYS 41 Cb -0.57 0.12 -0.00 0.00 -0.52 0.00 0.00 37.83 36.85 2qbg s LYS 41 CO 0.36 -0.12 1.29 1.17 -0.92 0.00 0.00 175.35 177.13 2qbg n LYS 42 N 3.98 -0.33 -0.37 1.68 3.00 -1.26 0.42 118.16 125.28 2qbg n LYS 42 Ca -0.19 1.26 0.29 0.00 -0.00 0.00 0.00 58.31 59.68 2qbg n LYS 42 Cb 0.58 -1.86 0.59 0.00 0.00 0.00 0.00 35.03 34.34 2qbg n LYS 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2qbg h ALA 43 N 0.58 2.52 0.10 3.14 0.00 -1.95 -0.59 119.26 123.07 2qbg h ALA 43 Ca 0.17 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.15 2qbg h ALA 43 Cb 0.38 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2qbg h ALA 43 CO -0.79 -1.01 -0.12 0.00 0.00 0.00 0.00 179.25 177.33 2qbg h ALA 44 N 1.58 -0.23 0.00 0.00 0.00 -0.33 0.36 119.26 120.66 2qbg h ALA 44 Ca 0.68 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.56 2qbg h ALA 44 Cb 2.00 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.97 2qbg h ALA 44 CO -0.31 -0.65 0.00 1.33 0.00 0.00 0.00 179.25 179.63 2qbg n VAL 45 N -5.24 0.00 0.00 0.00 0.24 -0.23 -1.37 118.33 111.73 2qbg n VAL 45 Ca -0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.23 2qbg n VAL 45 Cb 0.17 -0.27 0.00 0.00 -1.47 0.00 0.00 33.84 32.27 2qbg n VAL 45 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2qbg n LEU 46 N 0.05 0.47 0.19 1.34 4.77 -0.52 -4.42 117.00 118.88 2qbg n LEU 46 Ca 0.00 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.03 2qbg n LEU 46 Cb 0.11 0.00 0.36 0.00 -2.33 0.00 0.00 43.42 41.56 2qbg n LEU 46 CO 0.00 -0.09 0.70 -0.37 -1.33 0.00 0.00 177.39 176.30 2qbg h VAL 47 N 0.00 0.94 -0.01 4.08 -1.51 -0.22 -2.84 116.25 116.69 2qbg h VAL 47 Ca 0.00 -1.44 -0.05 0.00 -1.23 0.00 0.00 66.70 63.98 2qbg h VAL 47 Cb 0.50 1.86 0.00 0.00 -2.13 0.00 0.00 31.29 31.53 2qbg h VAL 47 CO 0.00 0.36 -0.19 0.50 -1.23 0.00 0.00 177.57 177.01 2qbg h LYS 48 N 0.00 0.15 0.00 5.19 3.64 -1.42 -1.89 116.57 122.24 2qbg h LYS 48 Ca -0.00 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 2qbg h LYS 48 Cb 0.83 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.69 2qbg h LYS 48 CO 0.05 0.87 0.04 1.63 -2.27 0.00 0.00 179.45 179.77 2qbg n LYS 49 N -4.56 0.00 -0.01 1.90 5.02 -1.12 0.24 118.16 119.63 2qbg n LYS 49 Ca -0.09 0.43 0.05 0.00 -2.02 0.00 0.00 58.31 56.68 2qbg n LYS 49 Cb 0.47 -1.54 -0.11 0.00 -0.02 0.00 0.00 35.03 33.83 2qbg n LYS 49 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2qbg n VAL 50 N -1.43 0.13 -0.04 -0.18 0.31 -1.09 -3.65 118.33 112.39 2qbg n VAL 50 Ca 0.00 -0.35 -0.14 0.00 -0.01 0.00 0.00 64.34 63.84 2qbg n VAL 50 Cb 0.04 0.06 -0.08 0.00 -0.91 0.00 0.00 33.84 32.95 2qbg n VAL 50 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 2qbg h LEU 51 N 0.00 0.38 -0.10 7.52 5.85 0.63 -2.67 115.31 126.93 2qbg h LEU 51 Ca -0.05 -0.58 -0.10 0.00 0.84 0.00 0.00 57.88 57.99 2qbg h LEU 51 Cb 0.80 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 2qbg h LEU 51 CO 0.00 0.89 -0.46 1.05 -0.34 0.00 0.00 178.44 179.58 2qbg h GLU 52 N -0.11 0.00 -0.47 1.25 4.11 -1.58 -0.12 114.58 117.67 2qbg h GLU 52 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2qbg h GLU 52 Cb 0.84 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.09 2qbg h GLU 52 CO 0.05 0.46 0.00 0.45 0.07 0.00 0.00 179.01 180.05 2qbg n SER 53 N -3.24 0.84 0.00 3.06 2.88 -1.20 -1.15 113.62 114.80 2qbg n SER 53 Ca 0.02 -2.04 0.00 0.00 -1.33 0.00 0.00 58.87 55.52 2qbg n SER 53 Cb 0.70 -0.26 0.00 0.00 -0.75 0.00 0.00 64.21 63.91 2qbg n SER 53 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2qbg n ALA 54 N -0.14 2.80 0.09 -1.46 0.00 -0.93 -4.52 120.51 116.36 2qbg n ALA 54 Ca 0.02 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.60 2qbg n ALA 54 Cb 0.18 0.38 0.63 0.00 0.00 0.00 0.00 19.45 20.65 2qbg n ALA 54 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2qbg h ILE 55 N 0.00 0.88 -0.37 0.00 5.03 -0.86 0.39 117.51 122.59 2qbg h ILE 55 Ca 0.00 -0.03 -0.03 0.00 -0.12 0.00 0.00 64.86 64.68 2qbg h ILE 55 Cb 0.77 0.79 -0.02 0.00 -3.03 0.00 0.00 36.82 35.33 2qbg h ILE 55 CO 0.00 0.02 0.11 0.00 -0.68 0.00 0.00 178.15 177.60 2qbg h ALA 56 N 1.83 0.49 0.00 1.87 0.00 -1.40 -1.01 119.26 121.04 2qbg h ALA 56 Ca 0.15 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2qbg h ALA 56 Cb 0.49 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 2qbg h ALA 56 CO -0.01 0.13 -0.13 -0.91 0.00 0.00 0.00 179.25 178.33 2qbg h ASN 57 N 0.45 0.00 0.70 0.00 -0.26 -0.69 -0.94 115.58 114.84 2qbg h ASN 57 Ca 0.12 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.86 2qbg h ASN 57 Cb 0.26 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.52 2qbg h ASN 57 CO -0.00 0.13 0.00 0.00 -1.06 0.00 0.00 177.43 176.50 2qbg h ALA 58 N 1.87 1.00 -3.00 -0.83 0.00 0.94 -2.82 119.26 116.42 2qbg h ALA 58 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2qbg h ALA 58 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2qbg h ALA 58 CO 0.02 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.66 2qbg n GLU 59 N -2.96 0.00 -1.69 0.00 -0.58 -0.40 -1.24 120.64 113.77 2qbg n GLU 59 Ca -0.00 0.00 -0.38 0.00 -0.42 0.00 0.00 57.16 56.36 2qbg n GLU 59 Cb 0.23 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 31.07 2qbg n GLU 59 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 2qbg s HIS 60 N 0.85 1.24 0.00 -0.32 5.65 -0.93 -2.58 115.29 119.19 2qbg s HIS 60 Ca 0.00 1.24 0.00 0.00 0.25 0.00 0.00 55.06 56.55 2qbg s HIS 60 Cb 0.00 -3.75 0.00 0.00 -1.18 0.00 0.00 32.58 27.65 2qbg s HIS 60 CO 0.00 -2.69 0.00 0.09 -0.65 0.00 0.00 174.74 171.49 2qbg n ASN 61 N 14.50 0.00 -3.78 9.88 5.03 -1.26 -4.44 115.26 135.18 2qbg n ASN 61 Ca 0.32 0.00 -0.23 0.00 0.87 0.00 0.00 54.58 55.54 2qbg n ASN 61 Cb 0.53 0.00 -0.17 0.00 -1.02 0.00 0.00 39.78 39.11 2qbg n ASN 61 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 2qbg s ASP 62 N 0.00 1.57 0.59 6.41 1.01 -1.06 -5.10 116.67 120.10 2qbg s ASP 62 Ca 0.00 -0.09 0.00 0.00 0.71 0.00 0.00 52.55 53.17 2qbg s ASP 62 Cb 0.00 -0.45 0.00 0.00 1.01 0.00 0.00 42.92 43.48 2qbg s ASP 62 CO 0.00 -0.18 0.00 0.61 0.21 0.00 0.00 175.17 175.81 2qbg n GLY 63 N 5.09 2.30 0.00 0.21 0.00 -1.26 -3.72 105.19 107.81 2qbg n GLY 63 Ca -0.08 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.67 2qbg n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qbg n ALA 64 N 7.48 0.00 -2.38 4.61 0.00 -0.37 -4.33 120.51 125.51 2qbg n ALA 64 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 2qbg n ALA 64 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 2qbg n ALA 64 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2qbg n ASP 65 N 0.00 -6.81 0.01 0.00 2.03 -1.26 -4.83 116.55 105.68 2qbg n ASP 65 Ca 0.00 1.67 -0.14 0.00 0.52 0.00 0.00 54.79 56.84 2qbg n ASP 65 Cb 0.00 -5.12 -0.14 0.00 -0.72 0.00 0.00 41.12 35.14 2qbg n ASP 65 CO 0.00 0.00 0.00 0.16 -1.92 0.00 0.00 177.20 175.44 2qbg h ILE 66 N 4.10 0.88 0.00 5.18 -2.65 -1.93 -3.37 117.51 119.72 2qbg h ILE 66 Ca -0.16 -2.64 0.00 0.00 1.03 0.00 0.00 64.86 63.09 2qbg h ILE 66 Cb 0.36 2.54 0.00 0.00 -2.05 0.00 0.00 36.82 37.67 2qbg h ILE 66 CO 0.00 0.71 0.16 0.47 0.03 0.00 0.00 178.15 179.53 2qbg n ASP 67 N -3.29 0.19 -0.07 2.16 8.00 -1.26 -0.38 116.55 121.90 2qbg n ASP 67 Ca -0.21 0.49 0.08 0.00 0.71 0.00 0.00 54.79 55.86 2qbg n ASP 67 Cb 1.04 -0.48 0.12 0.00 -0.02 0.00 0.00 41.12 41.78 2qbg n ASP 67 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2qbg n ASP 68 N -1.72 2.31 -4.90 -2.24 5.75 -1.26 -5.03 116.55 109.47 2qbg n ASP 68 Ca -0.00 -2.91 -0.33 0.00 -0.01 0.00 0.00 54.79 51.54 2qbg n ASP 68 Cb 0.17 -0.36 -0.05 0.00 -1.03 0.00 0.00 41.12 39.86 2qbg n ASP 68 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2qbg s LEU 69 N -2.56 4.34 0.01 -2.12 1.02 0.48 -4.60 118.68 115.24 2qbg s LEU 69 Ca 0.27 0.33 -0.02 0.00 0.02 0.00 0.00 54.13 54.72 2qbg s LEU 69 Cb 0.23 -2.63 -0.01 0.00 0.02 0.00 0.00 46.19 43.81 2qbg s LEU 69 CO 0.03 0.25 0.03 -1.59 0.02 0.00 0.00 176.35 175.09 2qbg s LYS 70 N -1.98 0.28 -1.28 1.70 -2.85 -0.42 -3.10 119.74 112.09 2qbg s LYS 70 Ca 0.28 -0.37 -0.19 0.00 -1.00 0.00 0.00 55.97 54.69 2qbg s LYS 70 Cb -0.13 0.11 0.03 0.00 -2.06 0.00 0.00 37.83 35.78 2qbg s LYS 70 CO 0.19 -0.05 1.83 1.55 0.10 0.00 0.00 175.35 178.97 2qbg n VAL 71 N 1.97 3.44 -0.31 1.79 3.14 -0.00 -0.13 118.33 128.24 2qbg n VAL 71 Ca -0.20 -3.51 0.09 0.00 -2.96 0.00 0.00 64.34 57.75 2qbg n VAL 71 Cb 0.56 -2.34 0.25 0.00 -1.06 0.00 0.00 33.84 31.25 2qbg n VAL 71 CO 0.00 0.00 0.00 0.71 -6.46 0.00 0.00 176.83 171.08 2qbg h THR 72 N 5.49 0.70 -3.36 1.55 1.35 -1.70 0.54 112.91 117.47 2qbg h THR 72 Ca 0.42 -0.22 -0.18 0.00 -0.55 0.00 0.00 66.41 65.88 2qbg h THR 72 Cb 0.85 0.02 -0.26 0.00 -1.73 0.00 0.00 68.15 67.03 2qbg h THR 72 CO 1.47 0.12 -0.53 -0.54 -0.25 0.00 0.00 175.52 175.79 2qbg s LYS 73 N -5.94 0.21 -0.07 4.72 -0.14 -1.07 -4.55 119.74 112.91 2qbg s LYS 73 Ca -0.12 0.16 -0.09 0.00 -1.36 0.00 0.00 55.97 54.56 2qbg s LYS 73 Cb 0.23 0.10 0.02 0.00 -1.68 0.00 0.00 37.83 36.50 2qbg s LYS 73 CO 0.78 -0.03 0.24 -1.50 -0.76 0.00 0.00 175.35 174.09 2qbg s ILE 74 N -0.05 0.02 -0.29 2.17 2.07 -1.26 0.29 121.20 124.15 2qbg s ILE 74 Ca -0.01 -0.18 -0.23 0.00 -1.41 0.00 0.00 60.65 58.82 2qbg s ILE 74 Cb -0.02 -0.41 0.16 0.00 0.13 0.00 0.00 42.46 42.32 2qbg s ILE 74 CO 0.00 -0.10 1.18 0.72 -1.91 0.00 0.00 174.94 174.84 2qbg s PHE 75 N -0.32 -0.31 -0.04 3.50 -0.71 -0.63 -5.00 117.98 114.47 2qbg s PHE 75 Ca -0.04 0.71 -0.00 0.00 -1.04 0.00 0.00 56.93 56.56 2qbg s PHE 75 Cb -0.03 0.37 -0.03 0.00 -1.21 0.00 0.00 43.02 42.11 2qbg s PHE 75 CO 0.01 -0.15 0.01 0.14 -1.34 0.00 0.00 175.22 173.89 2qbg s VAL 76 N 0.42 4.26 0.02 -2.49 -7.23 -1.26 -1.70 120.40 112.43 2qbg s VAL 76 Ca 0.01 -0.42 0.08 0.00 -1.81 0.00 0.00 61.98 59.84 2qbg s VAL 76 Cb -0.04 -2.85 -0.02 0.00 0.56 0.00 0.00 36.38 34.02 2qbg s VAL 76 CO -0.11 0.48 -0.23 -1.81 -0.31 0.00 0.00 175.10 173.12 2qbg s ASP 77 N -1.25 2.73 -0.03 4.85 1.11 -1.19 -4.87 116.67 118.01 2qbg s ASP 77 Ca 0.17 -0.50 -0.29 0.00 0.18 0.00 0.00 52.55 52.10 2qbg s ASP 77 Cb -0.11 -0.26 -0.08 0.00 1.07 0.00 0.00 42.92 43.54 2qbg s ASP 77 CO 0.07 0.23 2.02 -1.61 1.18 0.00 0.00 175.17 177.06 2qbg s GLU 78 N -0.95 3.88 0.47 8.23 2.02 -1.26 -0.12 118.70 130.97 2qbg s GLU 78 Ca 0.09 2.44 0.08 0.00 0.02 0.00 0.00 54.97 57.61 2qbg s GLU 78 Cb -0.09 -4.21 0.03 0.00 0.10 0.00 0.00 34.13 29.96 2qbg s GLU 78 CO 0.01 -1.26 0.62 0.20 0.02 0.00 0.00 175.26 174.85 2qbg s GLY 79 N 5.41 1.91 -0.46 -1.39 0.00 0.27 -4.87 107.32 108.19 2qbg s GLY 79 Ca 0.91 -1.83 -0.34 0.00 0.00 0.00 0.00 44.72 43.46 2qbg s GLY 79 CO 0.40 -1.59 2.29 -1.05 0.00 0.00 0.00 173.10 173.14 2qbg n PRO 80 N -1.95 0.85 -2.83 2.90 -0.02 -1.26 -3.92 135.00 128.78 2qbg n PRO 80 Ca 0.10 0.19 -0.41 0.00 -2.02 0.00 0.00 63.50 61.36 2qbg n PRO 80 Cb 0.60 -2.40 -0.04 0.00 -0.02 0.00 0.00 33.50 31.64 2qbg n PRO 80 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2qbg s SER 81 N 8.12 7.35 0.07 2.55 1.04 -1.26 -4.31 113.70 127.26 2qbg s SER 81 Ca 1.12 1.62 -0.31 0.00 0.48 0.00 0.00 55.95 58.86 2qbg s SER 81 Cb -0.86 -2.54 -0.06 0.00 0.10 0.00 0.00 66.02 62.66 2qbg s SER 81 CO 0.47 -0.08 1.23 -0.04 0.98 0.00 0.00 173.24 175.80 2qbg s MET 82 N 0.24 4.41 0.37 4.02 1.00 0.18 -4.72 119.30 124.80 2qbg s MET 82 Ca 0.45 1.83 -0.11 0.00 0.00 0.00 0.00 55.69 57.85 2qbg s MET 82 Cb -0.22 -3.33 -0.07 0.00 0.00 0.00 0.00 34.83 31.22 2qbg s MET 82 CO 0.27 -0.29 0.73 0.15 0.00 0.00 0.00 175.02 175.88 2qbg s LYS 83 N 1.06 3.81 0.00 2.03 -0.14 -1.26 0.86 119.74 126.10 2qbg s LYS 83 Ca 0.60 0.46 0.00 0.00 -1.36 0.00 0.00 55.97 55.67 2qbg s LYS 83 Cb -0.31 -2.43 0.00 0.00 -1.68 0.00 0.00 37.83 33.41 2qbg s LYS 83 CO 0.29 0.04 0.00 -2.13 -0.76 0.00 0.00 175.35 172.80 2qbg n ARG 84 N -1.01 0.00 -3.77 1.68 3.00 -1.06 -4.91 116.66 110.59 2qbg n ARG 84 Ca 0.02 0.00 -0.13 0.00 -0.00 0.00 0.00 57.85 57.75 2qbg n ARG 84 Cb 0.54 0.00 -0.12 0.00 0.00 0.00 0.00 32.46 32.88 2qbg n ARG 84 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2qbg s ILE 85 N -2.75 -0.01 -0.30 5.15 1.01 -1.25 -4.50 121.20 118.54 2qbg s ILE 85 Ca 0.00 0.04 0.01 0.00 0.00 0.00 0.00 60.65 60.71 2qbg s ILE 85 Cb 0.00 -0.36 0.07 0.00 0.01 0.00 0.00 42.46 42.18 2qbg s ILE 85 CO 0.00 0.02 -0.02 -0.04 0.00 0.00 0.00 174.94 174.90 2qbg s MET 86 N 0.47 2.13 -0.44 2.79 -1.94 -0.81 -4.89 119.30 116.60 2qbg s MET 86 Ca -0.03 -1.47 -0.27 0.00 -1.71 0.00 0.00 55.69 52.22 2qbg s MET 86 Cb -0.04 -3.10 -0.07 0.00 2.01 0.00 0.00 34.83 33.63 2qbg s MET 86 CO -0.02 -0.70 2.38 -2.30 -0.01 0.00 0.00 175.02 174.37 2qbg n PRO 87 N 4.46 1.21 -2.65 2.03 -0.02 -1.26 -2.33 135.00 136.44 2qbg n PRO 87 Ca -0.09 0.10 -0.24 0.00 -2.02 0.00 0.00 63.50 61.25 2qbg n PRO 87 Cb 0.42 -3.37 0.12 0.00 -0.02 0.00 0.00 33.50 30.65 2qbg n PRO 87 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 2qbg s ARG 88 N 7.91 1.55 0.47 -0.52 6.06 0.41 -4.98 118.95 129.85 2qbg s ARG 88 Ca 0.99 -1.29 -0.21 0.00 -2.50 0.00 0.00 55.73 52.72 2qbg s ARG 88 Cb -0.23 -2.34 -0.08 0.00 0.06 0.00 0.00 34.95 32.35 2qbg s ARG 88 CO 0.28 -1.55 1.05 0.00 -2.50 0.00 0.00 175.30 172.59 2qbg s ALA 89 N -3.16 2.90 -1.06 6.12 0.00 -1.26 -3.79 121.76 121.51 2qbg s ALA 89 Ca 0.68 0.65 -0.06 0.00 0.00 0.00 0.00 51.96 53.22 2qbg s ALA 89 Cb -0.04 -3.27 0.01 0.00 0.00 0.00 0.00 23.12 19.82 2qbg s ALA 89 CO 0.45 -0.33 0.92 1.63 0.00 0.00 0.00 175.76 178.43 2qbg n LYS 90 N -0.82 -6.19 -0.85 0.00 5.02 -1.26 -2.98 118.16 111.09 2qbg n LYS 90 Ca 0.09 0.65 0.00 0.00 -2.02 0.00 0.00 58.31 57.03 2qbg n LYS 90 Cb 0.52 -5.16 0.00 0.00 -0.02 0.00 0.00 35.03 30.36 2qbg n LYS 90 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qbg n GLY 91 N -1.64 0.47 3.84 0.72 0.00 -1.25 -5.00 105.19 102.33 2qbg n GLY 91 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 2qbg n GLY 91 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qbg s ARG 92 N -0.58 4.00 0.24 1.61 0.52 -1.16 -4.90 118.95 118.68 2qbg s ARG 92 Ca 0.00 0.86 0.03 0.00 -0.52 0.00 0.00 55.73 56.10 2qbg s ARG 92 Cb 0.00 -2.24 -0.05 0.00 0.52 0.00 0.00 34.95 33.17 2qbg s ARG 92 CO 0.00 -0.09 0.01 0.00 0.02 0.00 0.00 175.30 175.24 2qbg s ALA 93 N -2.36 1.84 0.05 2.13 0.00 -1.26 0.16 121.76 122.32 2qbg s ALA 93 Ca 0.57 -1.80 -0.00 0.00 0.00 0.00 0.00 51.96 50.73 2qbg s ALA 93 Cb -0.10 0.57 -0.04 0.00 0.00 0.00 0.00 23.12 23.56 2qbg s ALA 93 CO 0.24 -0.28 -0.04 -0.51 0.00 0.00 0.00 175.76 175.18 2qbg s ASP 94 N -3.32 0.53 0.09 0.00 1.01 -0.98 -4.87 116.67 109.12 2qbg s ASP 94 Ca 0.30 -0.89 -0.30 0.00 0.71 0.00 0.00 52.55 52.37 2qbg s ASP 94 Cb 0.06 0.16 -0.15 0.00 1.01 0.00 0.00 42.92 44.00 2qbg s ASP 94 CO 0.10 -0.52 1.65 -0.09 0.21 0.00 0.00 175.17 176.52 2qbg h ARG 95 N 3.45 -0.62 -5.98 8.23 9.65 -1.93 -2.17 114.38 125.01 2qbg h ARG 95 Ca -0.34 0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.59 2qbg h ARG 95 Cb 1.16 0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 29.86 2qbg h ARG 95 CO 0.60 -0.42 -0.39 1.51 2.80 0.00 0.00 179.97 184.08 2qbg n ILE 96 N -5.39 -3.24 -3.86 1.20 3.06 -1.26 -2.91 119.36 106.95 2qbg n ILE 96 Ca -0.11 0.54 -0.34 0.00 -2.50 0.00 0.00 62.75 60.34 2qbg n ILE 96 Cb 0.30 -3.29 -0.05 0.00 0.54 0.00 0.00 39.64 37.13 2qbg n ILE 96 CO 0.00 0.00 0.00 -0.76 -2.50 0.00 0.00 176.55 173.29 2qbg s LEU 97 N -0.25 4.37 -0.86 9.51 2.01 -1.26 -2.56 118.68 129.64 2qbg s LEU 97 Ca -0.05 0.42 0.00 0.00 0.01 0.00 0.00 54.13 54.51 2qbg s LEU 97 Cb 0.00 -2.58 0.22 0.00 0.01 0.00 0.00 46.19 43.84 2qbg s LEU 97 CO 0.14 0.27 0.76 0.29 1.01 0.00 0.00 176.35 178.83 2qbg n LYS 98 N 1.09 2.57 -1.73 1.70 5.02 0.25 -4.92 118.16 122.14 2qbg n LYS 98 Ca -0.12 -4.50 -0.39 0.00 -2.02 0.00 0.00 58.31 51.28 2qbg n LYS 98 Cb 0.53 -2.38 0.04 0.00 -0.02 0.00 0.00 35.03 33.19 2qbg n LYS 98 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2qbg n ARG 99 N 2.09 1.75 -4.46 1.97 1.74 -1.26 -0.65 116.66 117.84 2qbg n ARG 99 Ca 0.22 0.64 -0.22 0.00 -0.77 0.00 0.00 57.85 57.72 2qbg n ARG 99 Cb 0.37 -2.53 -0.11 0.00 -1.02 0.00 0.00 32.46 29.17 2qbg n ARG 99 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2qbg s THR 100 N -1.28 1.47 0.09 0.55 -4.23 -1.25 -3.34 115.64 107.64 2qbg s THR 100 Ca 0.69 -2.05 -0.00 0.00 -1.18 0.00 0.00 61.69 59.15 2qbg s THR 100 Cb -0.43 -2.67 -0.04 0.00 1.34 0.00 0.00 72.50 70.70 2qbg s THR 100 CO 0.51 -0.13 -0.01 -0.94 -0.54 0.00 0.00 174.62 173.51 2qbg s SER 101 N -3.49 0.60 -0.75 3.99 1.04 -0.95 -0.57 113.70 113.59 2qbg s SER 101 Ca 0.33 -1.06 0.03 0.00 0.48 0.00 0.00 55.95 55.73 2qbg s SER 101 Cb 0.07 0.20 0.22 0.00 0.10 0.00 0.00 66.02 66.61 2qbg s SER 101 CO 0.14 -0.61 0.74 1.41 0.98 0.00 0.00 173.24 175.90 2qbg n HIS 102 N 0.01 3.52 -1.67 5.02 8.25 0.84 0.27 115.22 131.46 2qbg n HIS 102 Ca -0.11 -4.07 -0.45 0.00 -0.26 0.00 0.00 57.72 52.83 2qbg n HIS 102 Cb 0.62 -0.74 -0.02 0.00 1.12 0.00 0.00 29.99 30.96 2qbg n HIS 102 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 2qbg n ILE 103 N 1.49 1.16 -3.79 1.59 5.41 -0.12 -3.20 119.36 121.90 2qbg n ILE 103 Ca 0.25 -0.29 -0.19 0.00 1.00 0.00 0.00 62.75 63.52 2qbg n ILE 103 Cb 0.38 -1.44 -0.17 0.00 -0.71 0.00 0.00 39.64 37.70 2qbg n ILE 103 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 2qbg s THR 104 N -0.27 0.11 -0.10 1.39 2.01 -0.69 0.13 115.64 118.23 2qbg s THR 104 Ca 0.66 0.22 0.04 0.00 0.31 0.00 0.00 61.69 62.92 2qbg s THR 104 Cb -0.65 -0.28 -0.00 0.00 0.01 0.00 0.00 72.50 71.59 2qbg s THR 104 CO 0.52 0.18 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.70 2qbg s VAL 105 N 1.63 2.03 -0.59 3.82 1.01 0.24 -1.60 120.40 126.94 2qbg s VAL 105 Ca -0.01 -1.01 0.04 0.00 0.00 0.00 0.00 61.98 61.00 2qbg s VAL 105 Cb -0.13 -1.75 0.16 0.00 0.00 0.00 0.00 36.38 34.66 2qbg s VAL 105 CO -0.03 0.55 0.39 -0.69 0.00 0.00 0.00 175.10 175.32 2qbg s VAL 106 N 0.31 2.36 0.05 2.92 1.01 0.15 -1.39 120.40 125.81 2qbg s VAL 106 Ca -0.18 -3.66 -0.30 0.00 0.00 0.00 0.00 61.98 57.85 2qbg s VAL 106 Cb -0.18 -2.59 -0.04 0.00 0.00 0.00 0.00 36.38 33.57 2qbg s VAL 106 CO 0.08 -0.97 0.97 0.54 0.00 0.00 0.00 175.10 175.73 2qbg s VAL 107 N -0.78 4.70 0.25 2.92 0.11 -1.23 -2.03 120.40 124.34 2qbg s VAL 107 Ca 0.23 2.06 -0.03 0.00 -2.93 0.00 0.00 61.98 61.31 2qbg s VAL 107 Cb -0.11 -4.32 -0.02 0.00 -1.53 0.00 0.00 36.38 30.39 2qbg s VAL 107 CO -0.11 0.23 0.29 -0.94 -3.33 0.00 0.00 175.10 171.24 2qbg s SER 108 N 0.55 0.38 0.00 3.54 1.04 0.82 -4.22 113.70 115.81 2qbg s SER 108 Ca 0.50 -1.33 0.00 0.00 0.48 0.00 0.00 55.95 55.59 2qbg s SER 108 Cb -0.22 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.39 2qbg s SER 108 CO 0.29 -1.01 0.10 0.47 0.98 0.00 0.00 173.24 174.07 2qbg n ASP 109 N -0.62 0.00 0.00 7.02 9.92 -1.22 -1.30 116.55 130.35 2qbg n ASP 109 Ca 0.02 0.10 0.00 0.00 -0.53 0.00 0.00 54.79 54.37 2qbg n ASP 109 Cb 0.64 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.12 2qbg n ASP 109 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19