#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbg h LYS 3 N 0.00 0.00 0.07 -0.67 -0.00 -2.07 0.24 116.57 114.14 2qbg h LYS 3 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 60.65 60.52 2qbg h LYS 3 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 32.23 32.24 2qbg h LYS 3 CO 0.00 0.00 -0.56 -0.22 -0.00 0.00 0.00 179.45 178.67 2qbg h LYS 4 N 0.00 0.26 -0.10 0.07 3.64 -2.06 -3.17 116.57 115.21 2qbg h LYS 4 Ca 0.09 -0.37 0.03 0.00 -1.27 0.00 0.00 60.65 59.13 2qbg h LYS 4 Cb 1.14 0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 33.08 2qbg h LYS 4 CO -0.00 1.13 0.21 0.77 -2.27 0.00 0.00 179.45 179.28 2qbg h SER 5 N -0.42 0.00 0.03 4.20 0.02 -0.98 -1.65 113.55 114.74 2qbg h SER 5 Ca -0.09 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.82 2qbg h SER 5 Cb 1.38 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.92 2qbg h SER 5 CO 0.11 0.00 -0.17 0.00 -1.14 0.00 0.00 176.83 175.63 2qbg h ALA 6 N 1.68 -0.02 -0.77 3.77 0.00 -1.53 -3.30 119.26 119.10 2qbg h ALA 6 Ca 0.05 -0.53 0.11 0.00 0.00 0.00 0.00 54.91 54.54 2qbg h ALA 6 Cb 0.46 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 2qbg h ALA 6 CO -0.00 0.07 0.51 -0.09 0.00 0.00 0.00 179.25 179.74 2qbg h ARG 7 N -0.83 0.63 0.53 0.00 2.43 -1.29 -2.76 114.38 113.09 2qbg h ARG 7 Ca -0.03 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.08 2qbg h ARG 7 Cb 1.11 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 30.51 2qbg h ARG 7 CO 0.03 0.41 -0.30 0.82 -1.51 0.00 0.00 179.97 179.42 2qbg h ILE 8 N 0.64 0.38 -0.16 1.20 2.04 -1.53 -2.75 117.51 117.33 2qbg h ILE 8 Ca 0.36 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.27 2qbg h ILE 8 Cb 0.54 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 2qbg h ILE 8 CO -0.14 0.00 0.12 0.08 0.00 0.00 0.00 178.15 178.21 2qbg h ARG 9 N -0.78 0.00 -0.66 2.37 0.11 -1.57 0.20 114.38 114.06 2qbg h ARG 9 Ca -0.06 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 59.99 2qbg h ARG 9 Cb 0.62 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.67 2qbg h ARG 9 CO 0.08 0.00 0.30 0.00 0.10 0.00 0.00 179.97 180.45 2qbg h ARG 10 N 0.00 0.95 0.00 0.08 3.08 -1.29 -2.88 114.38 114.33 2qbg h ARG 10 Ca 0.08 -0.14 -0.04 0.00 0.07 0.00 0.00 59.98 59.95 2qbg h ARG 10 Cb 0.32 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 2qbg h ARG 10 CO -0.00 0.75 -1.44 0.00 -1.07 0.00 0.00 179.97 178.22 2qbg n ALA 11 N -2.44 2.47 0.31 0.04 0.00 -0.48 -4.09 120.51 116.32 2qbg n ALA 11 Ca 0.06 -0.42 0.13 0.00 0.00 0.00 0.00 53.44 53.21 2qbg n ALA 11 Cb 0.15 -0.93 0.67 0.00 0.00 0.00 0.00 19.45 19.34 2qbg n ALA 11 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2qbg h THR 12 N 0.00 0.00 0.00 0.00 2.02 -0.42 0.11 112.91 114.63 2qbg h THR 12 Ca -0.05 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.13 2qbg h THR 12 Cb 1.15 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 68.11 2qbg h THR 12 CO 0.01 0.00 0.00 -1.14 0.37 0.00 0.00 175.52 174.76 2qbg n ARG 13 N -2.72 0.00 -0.28 6.66 3.00 -1.25 -3.19 116.66 118.88 2qbg n ARG 13 Ca -0.02 0.00 0.23 0.00 -0.00 0.00 0.00 57.85 58.07 2qbg n ARG 13 Cb 0.43 -0.54 0.55 0.00 0.00 0.00 0.00 32.46 32.90 2qbg n ARG 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2qbg h ALA 14 N -2.00 2.37 0.00 5.13 0.00 -1.78 0.82 119.26 123.80 2qbg h ALA 14 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2qbg h ALA 14 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2qbg h ALA 14 CO 0.00 -0.71 0.02 0.00 0.00 0.00 0.00 179.25 178.56 2qbg h ARG 15 N 0.32 0.00 0.00 0.00 3.08 -0.91 0.69 114.38 117.56 2qbg h ARG 15 Ca 0.53 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 60.25 2qbg h ARG 15 Cb 1.48 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.47 2qbg h ARG 15 CO -0.19 0.00 -2.06 -2.13 -1.07 0.00 0.00 179.97 174.52 2qbg n ARG 16 N -2.94 0.66 -0.16 0.04 3.00 0.28 -3.54 116.66 114.00 2qbg n ARG 16 Ca -0.03 0.15 -0.11 0.00 -0.00 0.00 0.00 57.85 57.87 2qbg n ARG 16 Cb 0.08 -1.66 -0.00 0.00 0.00 0.00 0.00 32.46 30.89 2qbg n ARG 16 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.63 177.41 2qbg h LYS 17 N 0.00 0.92 -0.84 -0.14 3.11 0.16 0.19 116.57 119.97 2qbg h LYS 17 Ca -0.42 -0.35 0.01 0.00 -2.81 0.00 0.00 60.65 57.07 2qbg h LYS 17 Cb 2.12 -0.05 -0.04 0.00 -1.00 0.00 0.00 32.23 33.26 2qbg h LYS 17 CO 0.05 1.01 0.55 -0.07 -2.81 0.00 0.00 179.45 178.18 2qbg h LEU 18 N 0.77 0.98 -0.17 5.20 4.07 0.04 -1.57 115.31 124.63 2qbg h LEU 18 Ca 0.12 -0.03 -0.04 0.00 0.08 0.00 0.00 57.88 58.01 2qbg h LEU 18 Cb 0.67 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 42.16 2qbg h LEU 18 CO 0.05 0.72 -0.05 -0.61 -1.08 0.00 0.00 178.44 177.47 2qbg h GLN 19 N 1.14 0.33 -0.72 1.13 4.15 -1.48 0.16 115.11 119.83 2qbg h GLN 19 Ca 0.31 -0.13 0.16 0.00 0.77 0.00 0.00 58.65 59.76 2qbg h GLN 19 Cb -0.11 -0.02 -0.12 0.00 0.21 0.00 0.00 27.48 27.44 2qbg h GLN 19 CO -0.06 0.61 0.05 1.49 -1.93 0.00 0.00 178.83 178.98 2qbg h GLU 20 N 0.04 0.14 0.00 1.69 4.22 0.18 0.65 114.58 121.50 2qbg h GLU 20 Ca 0.04 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.47 2qbg h GLU 20 Cb 0.49 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2qbg h GLU 20 CO 0.02 0.09 -0.26 1.28 -2.18 0.00 0.00 179.01 177.96 2qbg n LEU 21 N -5.28 0.46 -3.64 1.64 4.77 -0.67 -4.96 117.00 109.32 2qbg n LEU 21 Ca 0.13 0.33 -0.21 0.00 -0.03 0.00 0.00 56.01 56.23 2qbg n LEU 21 Cb 0.45 -0.33 0.04 0.00 -2.33 0.00 0.00 43.42 41.25 2qbg n LEU 21 CO 0.08 -0.02 -0.04 0.61 -1.33 0.00 0.00 177.39 176.69 2qbg n GLY 22 N 1.42 -0.40 3.64 -0.72 0.00 0.23 -4.98 105.19 104.37 2qbg n GLY 22 Ca 0.05 0.18 -0.34 0.00 0.00 0.00 0.00 46.02 45.91 2qbg n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qbg s ALA 23 N -3.61 3.18 -0.42 4.61 0.00 -0.91 -4.82 121.76 119.79 2qbg s ALA 23 Ca 0.07 -0.83 -0.29 0.00 0.00 0.00 0.00 51.96 50.91 2qbg s ALA 23 Cb -0.02 -1.43 -0.09 0.00 0.00 0.00 0.00 23.12 21.59 2qbg s ALA 23 CO 0.80 0.54 2.34 0.25 0.00 0.00 0.00 175.76 179.69 2qbg n THR 24 N 2.33 0.11 -3.27 0.00 -2.24 -1.26 -4.62 114.28 105.33 2qbg n THR 24 Ca -0.18 -0.51 -0.31 0.00 -2.27 0.00 0.00 64.05 60.77 2qbg n THR 24 Cb 0.53 -2.28 -0.05 0.00 -2.10 0.00 0.00 70.33 66.43 2qbg n THR 24 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qbg s ARG 25 N 7.31 3.83 -0.77 -0.78 1.70 -1.18 -2.45 118.95 126.62 2qbg s ARG 25 Ca 1.05 0.37 -0.07 0.00 -0.47 0.00 0.00 55.73 56.61 2qbg s ARG 25 Cb -0.47 -2.56 0.20 0.00 -0.57 0.00 0.00 34.95 31.55 2qbg s ARG 25 CO 0.36 0.22 0.64 -1.17 -1.08 0.00 0.00 175.30 174.27 2qbg s LEU 26 N -3.07 5.87 0.64 -1.89 2.96 0.21 -2.07 118.68 121.33 2qbg s LEU 26 Ca 0.49 -2.99 -0.18 0.00 -0.22 0.00 0.00 54.13 51.24 2qbg s LEU 26 Cb -0.11 -2.00 -0.01 0.00 0.50 0.00 0.00 46.19 44.57 2qbg s LEU 26 CO 0.22 -0.40 1.24 -0.69 -1.32 0.00 0.00 176.35 175.40 2qbg s VAL 27 N -0.27 2.36 -0.34 1.68 1.01 -0.03 -3.12 120.40 121.69 2qbg s VAL 27 Ca 0.20 0.21 0.03 0.00 0.00 0.00 0.00 61.98 62.42 2qbg s VAL 27 Cb -0.14 -3.02 0.16 0.00 0.00 0.00 0.00 36.38 33.38 2qbg s VAL 27 CO -0.07 -0.06 0.40 0.54 0.00 0.00 0.00 175.10 175.91 2qbg s VAL 28 N -1.61 -0.49 0.15 2.92 0.11 -1.23 -2.04 120.40 118.21 2qbg s VAL 28 Ca 0.79 -0.61 -0.18 0.00 -2.93 0.00 0.00 61.98 59.04 2qbg s VAL 28 Cb -0.33 -0.75 -0.07 0.00 -1.53 0.00 0.00 36.38 33.70 2qbg s VAL 28 CO 0.38 -0.42 0.63 -2.28 -3.33 0.00 0.00 175.10 170.08 2qbg s HIS 29 N 1.95 3.71 0.19 1.54 5.65 -1.25 -4.56 115.29 122.52 2qbg s HIS 29 Ca 0.13 1.28 0.11 0.00 0.25 0.00 0.00 55.06 56.84 2qbg s HIS 29 Cb -0.13 -2.52 -0.04 0.00 -1.18 0.00 0.00 32.58 28.70 2qbg s HIS 29 CO -0.17 0.45 -0.23 0.50 -0.65 0.00 0.00 174.74 174.64 2qbg s ARG 30 N -1.65 1.49 0.01 2.88 3.00 -1.26 -1.28 118.95 122.14 2qbg s ARG 30 Ca 0.37 -1.51 -0.23 0.00 -1.00 0.00 0.00 55.73 53.36 2qbg s ARG 30 Cb -0.18 -1.79 0.05 0.00 0.00 0.00 0.00 34.95 33.04 2qbg s ARG 30 CO 0.20 0.38 0.51 -0.08 0.00 0.00 0.00 175.30 176.31 2qbg s THR 31 N -1.71 0.03 0.27 4.11 -1.32 -0.43 -4.99 115.64 111.58 2qbg s THR 31 Ca 0.20 -0.25 -0.09 0.00 -1.21 0.00 0.00 61.69 60.34 2qbg s THR 31 Cb -0.08 -0.91 0.41 0.00 -1.51 0.00 0.00 72.50 70.42 2qbg s THR 31 CO 0.09 -0.14 1.57 -0.65 -2.21 0.00 0.00 174.62 173.29 2qbg h PRO 32 N 3.09 0.00 -0.02 7.08 0.11 -1.99 -2.03 132.00 138.23 2qbg h PRO 32 Ca -0.30 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 2qbg h PRO 32 Cb 1.19 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2qbg h PRO 32 CO 0.41 0.00 -0.44 0.54 -0.21 0.00 0.00 178.00 178.30 2qbg n ARG 33 N -5.58 1.33 -4.03 1.05 3.00 -1.26 -4.89 116.66 106.27 2qbg n ARG 33 Ca 0.15 -0.99 -0.10 0.00 -0.01 0.00 0.00 57.85 56.90 2qbg n ARG 33 Cb 0.48 -1.44 -0.08 0.00 0.00 0.00 0.00 32.46 31.42 2qbg n ARG 33 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 2qbg s HIS 34 N -2.36 0.58 -0.19 -1.55 3.76 -0.76 -4.43 115.29 110.34 2qbg s HIS 34 Ca 0.18 -0.95 -0.03 0.00 -0.15 0.00 0.00 55.06 54.10 2qbg s HIS 34 Cb 0.17 -0.23 0.06 0.00 1.11 0.00 0.00 32.58 33.70 2qbg s HIS 34 CO 0.53 -0.64 0.05 0.42 -0.85 0.00 0.00 174.74 174.26 2qbg s ILE 35 N -4.00 0.35 0.52 0.60 -1.09 -1.26 -1.32 121.20 115.00 2qbg s ILE 35 Ca 0.20 -0.45 0.04 0.00 -2.23 0.00 0.00 60.65 58.21 2qbg s ILE 35 Cb 0.05 -0.91 0.04 0.00 -1.58 0.00 0.00 42.46 40.06 2qbg s ILE 35 CO 0.01 -0.24 0.72 -0.31 -1.23 0.00 0.00 174.94 173.89 2qbg s TYR 36 N 1.94 2.63 -0.28 3.97 4.12 -0.40 -2.23 117.35 127.09 2qbg s TYR 36 Ca -0.00 -0.23 -0.25 0.00 0.02 0.00 0.00 57.07 56.61 2qbg s TYR 36 Cb -0.17 -2.59 0.13 0.00 -1.52 0.00 0.00 41.96 37.81 2qbg s TYR 36 CO -0.08 -0.79 1.10 0.00 0.02 0.00 0.00 175.55 175.80 2qbg s ALA 37 N -2.63 -2.01 -0.24 3.71 0.00 -1.23 -3.77 121.76 115.58 2qbg s ALA 37 Ca 0.57 1.83 -0.26 0.00 0.00 0.00 0.00 51.96 54.10 2qbg s ALA 37 Cb -0.09 -1.47 0.11 0.00 0.00 0.00 0.00 23.12 21.67 2qbg s ALA 37 CO 0.37 -0.22 0.94 1.14 0.00 0.00 0.00 175.76 178.00 2qbg s GLN 38 N 0.13 0.62 -0.63 0.00 -2.07 -0.87 -2.02 119.66 114.82 2qbg s GLN 38 Ca 0.04 0.58 -0.11 0.00 -1.82 0.00 0.00 55.36 54.04 2qbg s GLN 38 Cb -0.05 0.30 0.16 0.00 -1.09 0.00 0.00 33.01 32.33 2qbg s GLN 38 CO -0.07 -0.11 0.54 0.08 -1.32 0.00 0.00 175.29 174.40 2qbg s VAL 39 N -0.06 4.82 0.41 3.63 1.01 -1.13 -0.85 120.40 128.23 2qbg s VAL 39 Ca 0.01 -2.14 -0.17 0.00 0.00 0.00 0.00 61.98 59.68 2qbg s VAL 39 Cb -0.04 -4.07 -0.09 0.00 0.00 0.00 0.00 36.38 32.17 2qbg s VAL 39 CO -0.02 -0.90 0.87 -0.63 0.00 0.00 0.00 175.10 174.42 2qbg s ILE 40 N 0.79 4.55 0.82 2.22 1.01 -0.88 -0.02 121.20 129.68 2qbg s ILE 40 Ca 0.11 1.17 -0.12 0.00 0.00 0.00 0.00 60.65 61.82 2qbg s ILE 40 Cb -0.21 -3.64 0.08 0.00 0.01 0.00 0.00 42.46 38.70 2qbg s ILE 40 CO -0.03 -0.38 1.11 0.00 0.00 0.00 0.00 174.94 175.64 2qbg s ALA 41 N -2.24 2.19 0.19 9.38 0.00 -0.17 -3.11 121.76 128.00 2qbg s ALA 41 Ca 0.58 -0.30 -0.13 0.00 0.00 0.00 0.00 51.96 52.10 2qbg s ALA 41 Cb -0.10 -3.08 0.21 0.00 0.00 0.00 0.00 23.12 20.15 2qbg s ALA 41 CO 0.20 -1.82 1.67 -1.35 0.00 0.00 0.00 175.76 174.46 2qbg h PRO 42 N -1.16 0.08 0.00 0.00 0.11 -1.88 0.18 132.00 129.34 2qbg h PRO 42 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2qbg h PRO 42 Cb 1.28 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2qbg h PRO 42 CO 0.60 0.06 0.12 0.27 -0.21 0.00 0.00 178.00 178.84 2qbg n ASN 43 N -5.27 0.07 -1.88 -2.05 0.23 -1.26 -4.79 115.26 100.30 2qbg n ASN 43 Ca 0.06 0.42 -0.18 0.00 -0.53 0.00 0.00 54.58 54.35 2qbg n ASN 43 Cb 0.29 -0.42 -0.05 0.00 -2.08 0.00 0.00 39.78 37.51 2qbg n ASN 43 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2qbg n GLY 44 N -1.37 0.85 0.63 4.83 0.00 0.61 -4.81 105.19 105.93 2qbg n GLY 44 Ca -0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2qbg n GLY 44 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2qbg n SER 45 N -1.42 0.86 -4.68 1.61 7.64 -1.26 -4.98 113.62 111.38 2qbg n SER 45 Ca -0.20 0.15 -0.35 0.00 1.01 0.00 0.00 58.87 59.48 2qbg n SER 45 Cb 0.63 -0.36 -0.09 0.00 -1.01 0.00 0.00 64.21 63.37 2qbg n SER 45 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2qbg s GLU 46 N -2.22 3.58 -0.14 1.43 -1.05 -1.26 -5.00 118.70 114.03 2qbg s GLU 46 Ca -0.17 -0.34 -0.15 0.00 -0.15 0.00 0.00 54.97 54.16 2qbg s GLU 46 Cb 0.06 -3.07 -0.05 0.00 -0.44 0.00 0.00 34.13 30.64 2qbg s GLU 46 CO 0.21 0.48 0.35 0.08 0.95 0.00 0.00 175.26 177.33 2qbg s VAL 47 N -0.23 5.26 -0.06 1.83 1.01 -1.26 -1.00 120.40 125.94 2qbg s VAL 47 Ca 0.07 0.67 -0.23 0.00 0.00 0.00 0.00 61.98 62.50 2qbg s VAL 47 Cb -0.12 -3.69 -0.18 0.00 0.00 0.00 0.00 36.38 32.39 2qbg s VAL 47 CO 0.02 0.38 0.90 -0.07 0.00 0.00 0.00 175.10 176.33 2qbg h LEU 48 N 6.60 -0.10 0.00 3.92 3.38 -0.75 -3.47 115.31 124.89 2qbg h LEU 48 Ca -0.42 -0.50 -0.21 0.00 0.09 0.00 0.00 57.88 56.85 2qbg h LEU 48 Cb 1.17 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.90 2qbg h LEU 48 CO 0.75 0.53 -0.18 1.33 0.09 0.00 0.00 178.44 180.96 2qbg n VAL 49 N -4.84 0.00 0.00 1.22 0.24 -1.19 -5.00 118.33 108.77 2qbg n VAL 49 Ca -0.08 -0.91 0.00 0.00 -2.04 0.00 0.00 64.34 61.31 2qbg n VAL 49 Cb 0.29 0.35 0.00 0.00 -1.47 0.00 0.00 33.84 33.01 2qbg n VAL 49 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2qbg n ALA 50 N -2.24 0.00 -3.15 2.33 0.00 -1.26 -2.84 120.51 113.35 2qbg n ALA 50 Ca -0.06 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.44 2qbg n ALA 50 Cb 0.23 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.67 2qbg n ALA 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbg s ALA 51 N -2.00 -3.83 0.14 0.00 0.00 -0.86 -4.74 121.76 110.47 2qbg s ALA 51 Ca 0.00 1.36 0.08 0.00 0.00 0.00 0.00 51.96 53.39 2qbg s ALA 51 Cb 0.00 -2.65 -0.04 0.00 0.00 0.00 0.00 23.12 20.43 2qbg s ALA 51 CO 0.00 -1.67 -0.18 -1.54 0.00 0.00 0.00 175.76 172.38 2qbg s SER 52 N 2.97 2.43 0.00 0.00 1.04 -1.26 -3.55 113.70 115.33 2qbg s SER 52 Ca 0.04 -0.80 0.00 0.00 0.48 0.00 0.00 55.95 55.68 2qbg s SER 52 Cb -0.07 -0.13 0.00 0.00 0.10 0.00 0.00 66.02 65.92 2qbg s SER 52 CO -0.13 -0.04 0.95 0.35 0.98 0.00 0.00 173.24 175.35 2qbg n THR 53 N 0.58 1.81 1.93 2.02 -2.24 -0.95 -1.33 114.28 116.10 2qbg n THR 53 Ca -0.16 0.47 0.01 0.00 -2.27 0.00 0.00 64.05 62.10 2qbg n THR 53 Cb 0.56 -1.47 0.06 0.00 -2.10 0.00 0.00 70.33 67.39 2qbg n THR 53 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 2qbg n VAL 54 N -1.45 0.03 -3.88 2.28 3.14 -1.26 -4.29 118.33 112.89 2qbg n VAL 54 Ca 0.00 -0.03 -0.35 0.00 -2.96 0.00 0.00 64.34 61.00 2qbg n VAL 54 Cb 0.01 -0.01 -0.14 0.00 -1.06 0.00 0.00 33.84 32.64 2qbg n VAL 54 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 2qbg s GLU 55 N -1.97 3.40 0.12 1.45 2.02 -0.44 -5.02 118.70 118.26 2qbg s GLU 55 Ca 0.04 -0.61 -0.23 0.00 0.02 0.00 0.00 54.97 54.19 2qbg s GLU 55 Cb 0.02 -3.06 -0.05 0.00 0.10 0.00 0.00 34.13 31.14 2qbg s GLU 55 CO 0.03 -0.20 1.33 1.17 0.02 0.00 0.00 175.26 177.60 2qbg n LYS 56 N 4.81 -0.32 -0.21 1.61 4.81 -1.26 -0.90 118.16 126.69 2qbg n LYS 56 Ca -0.18 1.30 0.10 0.00 -0.87 0.00 0.00 58.31 58.67 2qbg n LYS 56 Cb 0.51 -1.92 0.20 0.00 0.02 0.00 0.00 35.03 33.84 2qbg n LYS 56 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2qbg n ALA 57 N -3.23 0.35 -0.02 3.14 0.00 -1.26 0.16 120.51 119.66 2qbg n ALA 57 Ca 0.01 0.66 -0.21 0.00 0.00 0.00 0.00 53.44 53.91 2qbg n ALA 57 Cb 0.19 -0.50 -0.13 0.00 0.00 0.00 0.00 19.45 19.01 2qbg n ALA 57 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2qbg h ILE 58 N 0.00 1.09 -0.72 0.00 2.04 -1.35 -3.38 117.51 115.19 2qbg h ILE 58 Ca 0.39 -2.35 0.15 0.00 1.00 0.00 0.00 64.86 64.05 2qbg h ILE 58 Cb 0.85 2.70 -0.10 0.00 -0.74 0.00 0.00 36.82 39.52 2qbg h ILE 58 CO -0.57 0.62 0.21 0.00 0.00 0.00 0.00 178.15 178.41 2qbg h ALA 59 N -0.12 0.96 0.03 1.87 0.00 0.16 -2.10 119.26 120.05 2qbg h ALA 59 Ca -0.28 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2qbg h ALA 59 Cb 1.59 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.56 2qbg h ALA 59 CO 0.00 -0.30 -0.09 0.93 0.00 0.00 0.00 179.25 179.79 2qbg h GLU 60 N 0.32 -0.13 0.00 0.00 5.08 -0.91 0.22 114.58 119.16 2qbg h GLU 60 Ca 0.40 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.77 2qbg h GLU 60 Cb 0.66 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.94 2qbg h GLU 60 CO -0.47 -0.09 0.17 1.04 -1.00 0.00 0.00 179.01 178.67 2qbg n GLN 61 N -2.98 0.05 -3.67 2.33 1.13 -1.09 -4.55 117.38 108.60 2qbg n GLN 61 Ca -0.02 0.46 -0.35 0.00 -1.94 0.00 0.00 57.00 55.16 2qbg n GLN 61 Cb 0.07 -1.82 -0.05 0.00 0.11 0.00 0.00 30.24 28.54 2qbg n GLN 61 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2qbg s LEU 62 N -3.39 4.38 -0.02 1.08 2.01 0.07 -5.03 118.68 117.77 2qbg s LEU 62 Ca -0.01 0.69 -0.03 0.00 0.01 0.00 0.00 54.13 54.79 2qbg s LEU 62 Cb 0.02 -2.74 -0.02 0.00 0.01 0.00 0.00 46.19 43.46 2qbg s LEU 62 CO 0.06 0.24 0.33 0.50 1.01 0.00 0.00 176.35 178.50 2qbg h LYS 63 N 4.03 -0.11 -3.97 1.70 3.64 -1.80 -3.47 116.57 116.59 2qbg h LYS 63 Ca -0.50 0.01 -0.42 0.00 -1.27 0.00 0.00 60.65 58.47 2qbg h LYS 63 Cb 1.20 0.02 -0.35 0.00 -0.41 0.00 0.00 32.23 32.70 2qbg h LYS 63 CO 0.65 -0.07 -0.77 -0.47 -2.27 0.00 0.00 179.45 176.52 2qbg s TYR 64 N -1.93 0.76 0.09 1.91 5.04 -1.26 -5.09 117.35 116.87 2qbg s TYR 64 Ca -0.02 -0.22 -0.31 0.00 -2.44 0.00 0.00 57.07 54.09 2qbg s TYR 64 Cb 0.00 -0.71 -0.09 0.00 0.35 0.00 0.00 41.96 41.51 2qbg s TYR 64 CO 0.05 -0.23 1.83 0.95 -1.34 0.00 0.00 175.55 176.81 2qbg s THR 65 N 1.15 2.77 0.00 4.34 -4.23 -1.26 -3.20 115.64 115.21 2qbg s THR 65 Ca -0.07 0.14 0.00 0.00 -1.18 0.00 0.00 61.69 60.57 2qbg s THR 65 Cb -0.14 -3.09 0.00 0.00 1.34 0.00 0.00 72.50 70.61 2qbg s THR 65 CO -0.01 -0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.67 2qbg n GLY 66 N 4.27 0.83 1.49 3.99 0.00 -1.26 -4.35 105.19 110.17 2qbg n GLY 66 Ca 0.18 -0.33 -0.01 0.00 0.00 0.00 0.00 46.02 45.86 2qbg n GLY 66 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2qbg n ASN 67 N -1.34 2.02 0.00 1.61 4.05 -1.19 -4.87 115.26 115.53 2qbg n ASN 67 Ca 0.00 -2.97 0.00 0.00 0.45 0.00 0.00 54.58 52.06 2qbg n ASN 67 Cb 0.47 -0.42 0.00 0.00 1.23 0.00 0.00 39.78 41.07 2qbg n ASN 67 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 2qbg n LYS 68 N -0.45 0.00 0.29 1.20 5.02 -1.26 -2.87 118.16 120.10 2qbg n LYS 68 Ca 0.17 0.00 0.20 0.00 -2.02 0.00 0.00 58.31 56.66 2qbg n LYS 68 Cb 0.90 0.00 1.05 0.00 -0.02 0.00 0.00 35.03 36.96 2qbg n LYS 68 CO 0.00 0.00 0.00 0.38 -0.52 0.00 0.00 177.40 177.26 2qbg h ASP 69 N 0.00 0.00 0.22 4.39 -0.00 -1.96 0.54 116.42 119.61 2qbg h ASP 69 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 57.03 56.68 2qbg h ASP 69 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 39.33 39.30 2qbg h ASP 69 CO 0.00 0.00 -1.96 0.00 -0.00 0.00 0.00 179.24 177.28 2qbg n ALA 70 N -1.99 1.10 -0.61 4.15 0.00 -1.14 -3.85 120.51 118.17 2qbg n ALA 70 Ca -0.03 -0.69 -0.15 0.00 0.00 0.00 0.00 53.44 52.57 2qbg n ALA 70 Cb 0.07 -0.68 0.06 0.00 0.00 0.00 0.00 19.45 18.90 2qbg n ALA 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbg n ALA 71 N -2.88 4.75 0.03 0.00 0.00 0.16 -3.82 120.51 118.76 2qbg n ALA 71 Ca -0.29 -1.64 0.00 0.00 0.00 0.00 0.00 53.44 51.51 2qbg n ALA 71 Cb 1.05 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 19.17 2qbg n ALA 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbg n ALA 72 N 0.05 3.00 -0.18 0.00 0.00 0.35 -3.57 120.51 120.16 2qbg n ALA 72 Ca 0.31 0.00 0.25 0.00 0.00 0.00 0.00 53.44 54.01 2qbg n ALA 72 Cb 0.78 0.33 0.67 0.00 0.00 0.00 0.00 19.45 21.23 2qbg n ALA 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbg h ALA 73 N 0.00 2.65 -0.83 0.00 0.00 -1.70 0.81 119.26 120.19 2qbg h ALA 73 Ca 0.00 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 54.99 2qbg h ALA 73 Cb 0.36 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.12 2qbg h ALA 73 CO 0.00 -0.91 0.48 0.28 0.00 0.00 0.00 179.25 179.10 2qbg h VAL 74 N 0.10 0.90 -0.01 0.00 2.07 -1.83 0.44 116.25 117.91 2qbg h VAL 74 Ca 0.42 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 67.64 2qbg h VAL 74 Cb 1.51 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 2qbg h VAL 74 CO -0.05 0.14 -0.10 1.23 0.02 0.00 0.00 177.57 178.82 2qbg h GLY 75 N 0.79 0.10 0.76 2.17 0.00 0.39 -2.37 103.07 104.91 2qbg h GLY 75 Ca 0.41 -0.15 0.17 0.00 0.00 0.00 0.00 47.33 47.76 2qbg h GLY 75 CO -0.25 0.13 0.46 1.70 0.00 0.00 0.00 176.54 178.57 2qbg h LYS 76 N -0.57 0.00 0.29 4.80 3.64 -0.71 0.19 116.57 124.21 2qbg h LYS 76 Ca -0.01 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 2qbg h LYS 76 Cb 0.80 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.62 2qbg h LYS 76 CO 0.02 0.00 -0.14 0.00 -2.27 0.00 0.00 179.45 177.06 2qbg h ALA 77 N 1.63 -0.42 -0.75 5.00 0.00 -0.05 -3.04 119.26 121.62 2qbg h ALA 77 Ca 0.27 -0.08 0.20 0.00 0.00 0.00 0.00 54.91 55.29 2qbg h ALA 77 Cb 1.18 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 19.08 2qbg h ALA 77 CO -0.00 -0.39 0.52 0.28 0.00 0.00 0.00 179.25 179.66 2qbg h VAL 78 N -0.99 0.68 0.00 0.00 2.07 -0.86 0.15 116.25 117.30 2qbg h VAL 78 Ca -0.04 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.43 2qbg h VAL 78 Cb 0.29 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 2qbg h VAL 78 CO 0.06 0.03 0.00 0.00 0.02 0.00 0.00 177.57 177.68 2qbg n ALA 79 N -2.62 -0.17 -0.23 1.67 0.00 0.62 0.53 120.51 120.32 2qbg n ALA 79 Ca 0.15 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.60 2qbg n ALA 79 Cb 0.72 0.08 0.13 0.00 0.00 0.00 0.00 19.45 20.38 2qbg n ALA 79 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2qbg h GLU 80 N 0.00 0.48 -0.97 0.00 4.11 -1.38 0.17 114.58 116.99 2qbg h GLU 80 Ca 0.00 -0.03 0.21 0.00 0.07 0.00 0.00 59.36 59.61 2qbg h GLU 80 Cb 0.00 -0.11 -0.09 0.00 0.50 0.00 0.00 28.75 29.06 2qbg h GLU 80 CO 0.00 0.32 0.62 -0.09 0.07 0.00 0.00 179.01 179.93 2qbg h ARG 81 N 0.49 0.52 -0.90 1.06 9.65 -0.64 0.47 114.38 125.03 2qbg h ARG 81 Ca 0.34 -0.03 -0.53 0.00 -1.10 0.00 0.00 59.98 58.65 2qbg h ARG 81 Cb 0.40 -0.12 -0.28 0.00 -1.39 0.00 0.00 29.97 28.58 2qbg h ARG 81 CO -0.30 0.34 0.56 0.00 2.80 0.00 0.00 179.97 183.37 2qbg n ALA 82 N -2.44 5.67 0.00 2.80 0.00 0.19 -3.87 120.51 122.86 2qbg n ALA 82 Ca 0.22 -3.19 0.00 0.00 0.00 0.00 0.00 53.44 50.47 2qbg n ALA 82 Cb 0.69 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.73 2qbg n ALA 82 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2qbg n LEU 83 N -1.04 1.00 0.16 0.00 7.94 0.14 -3.36 117.00 121.85 2qbg n LEU 83 Ca 0.57 0.00 0.13 0.00 -1.11 0.00 0.00 56.01 55.60 2qbg n LEU 83 Cb 1.20 0.00 0.52 0.00 0.53 0.00 0.00 43.42 45.67 2qbg n LEU 83 CO 0.61 0.16 0.89 -0.08 -1.11 0.00 0.00 177.39 177.86 2qbg h GLU 84 N 0.00 0.00 -0.00 1.96 4.81 -1.08 0.32 114.58 120.59 2qbg h GLU 84 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2qbg h GLU 84 Cb 0.34 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.72 2qbg h GLU 84 CO 0.00 0.00 -0.07 1.63 -0.73 0.00 0.00 179.01 179.84 2qbg n LYS 85 N -2.43 0.45 -0.76 1.92 4.76 -1.25 -4.87 118.16 115.97 2qbg n LYS 85 Ca 0.02 -0.09 0.00 0.00 -2.87 0.00 0.00 58.31 55.37 2qbg n LYS 85 Cb 0.27 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.96 2qbg n LYS 85 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2qbg n GLY 86 N 1.32 0.70 3.82 0.72 0.00 0.11 -5.03 105.19 106.83 2qbg n GLY 86 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 2qbg n GLY 86 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qbg s ILE 87 N -2.46 4.64 0.03 -0.61 -1.09 -1.21 -4.96 121.20 115.53 2qbg s ILE 87 Ca 0.00 1.16 -0.29 0.00 -2.23 0.00 0.00 60.65 59.29 2qbg s ILE 87 Cb 0.00 -3.81 0.10 0.00 -1.58 0.00 0.00 42.46 37.17 2qbg s ILE 87 CO 0.00 0.17 1.10 -0.75 -1.23 0.00 0.00 174.94 174.23 2qbg s LYS 88 N -2.08 0.75 -0.29 2.79 2.20 -1.26 -3.80 119.74 118.04 2qbg s LYS 88 Ca 0.43 -0.38 -0.05 0.00 -0.36 0.00 0.00 55.97 55.61 2qbg s LYS 88 Cb -0.16 0.27 0.01 0.00 -1.51 0.00 0.00 37.83 36.44 2qbg s LYS 88 CO 0.20 -0.34 0.15 -3.47 -0.36 0.00 0.00 175.35 171.54 2qbg n ASP 89 N -0.40 -7.67 -3.91 1.43 4.64 -1.20 -4.88 116.55 104.55 2qbg n ASP 89 Ca -0.07 1.02 -0.24 0.00 -1.38 0.00 0.00 54.79 54.13 2qbg n ASP 89 Cb 0.61 -4.57 -0.08 0.00 -1.04 0.00 0.00 41.12 36.04 2qbg n ASP 89 CO 0.00 0.00 0.00 0.68 -0.82 0.00 0.00 177.20 177.06 2qbg s VAL 90 N -1.71 0.42 -0.01 5.18 -7.23 0.59 -4.89 120.40 112.74 2qbg s VAL 90 Ca 0.07 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.27 2qbg s VAL 90 Cb -0.02 -2.38 -0.03 0.00 0.56 0.00 0.00 36.38 34.51 2qbg s VAL 90 CO 0.66 0.00 -0.09 -0.44 -0.31 0.00 0.00 175.10 174.93 2qbg s SER 91 N -3.54 4.48 -0.13 4.85 0.01 -1.03 -4.37 113.70 113.98 2qbg s SER 91 Ca 0.28 -0.15 -0.09 0.00 1.31 0.00 0.00 55.95 57.30 2qbg s SER 91 Cb 0.02 -1.02 -0.04 0.00 0.21 0.00 0.00 66.02 65.19 2qbg s SER 91 CO 0.18 0.30 0.18 0.12 0.41 0.00 0.00 173.24 174.43 2qbg s PHE 92 N -0.92 3.56 -0.46 2.43 5.36 -1.26 0.65 117.98 127.35 2qbg s PHE 92 Ca 0.15 0.55 0.03 0.00 -0.96 0.00 0.00 56.93 56.70 2qbg s PHE 92 Cb -0.11 -2.06 0.13 0.00 -0.34 0.00 0.00 43.02 40.64 2qbg s PHE 92 CO 0.05 0.59 0.22 0.34 -1.46 0.00 0.00 175.22 174.96 2qbg s ASP 93 N -0.61 4.08 0.00 6.13 3.68 -1.18 -4.90 116.67 123.87 2qbg s ASP 93 Ca 0.15 -2.69 0.00 0.00 2.13 0.00 0.00 52.55 52.13 2qbg s ASP 93 Cb -0.12 -1.36 0.00 0.00 -1.45 0.00 0.00 42.92 39.99 2qbg s ASP 93 CO 0.04 -0.27 0.36 -2.11 0.13 0.00 0.00 175.17 173.31 2qbg n ARG 94 N 3.50 0.00 -4.12 4.34 1.85 -1.26 -3.54 116.66 117.44 2qbg n ARG 94 Ca 0.06 0.00 -0.30 0.00 -1.00 0.00 0.00 57.85 56.61 2qbg n ARG 94 Cb 0.35 -1.38 -0.08 0.00 -1.05 0.00 0.00 32.46 30.30 2qbg n ARG 94 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 2qbg n SER 95 N -0.85 0.27 0.00 2.89 7.64 -1.26 0.28 113.62 122.59 2qbg n SER 95 Ca 0.00 -1.15 0.00 0.00 1.01 0.00 0.00 58.87 58.73 2qbg n SER 95 Cb 0.00 -1.42 0.00 0.00 -1.01 0.00 0.00 64.21 61.78 2qbg n SER 95 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qbg n GLY 96 N -2.36 2.94 3.62 0.23 0.00 -1.26 -4.78 105.19 103.57 2qbg n GLY 96 Ca -0.27 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.32 2qbg n GLY 96 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qbg s PHE 97 N -1.72 2.75 -0.73 1.61 0.08 0.14 -4.91 117.98 115.21 2qbg s PHE 97 Ca 0.00 0.88 -0.33 0.00 0.12 0.00 0.00 56.93 57.60 2qbg s PHE 97 Cb 0.00 -4.00 -0.17 0.00 -0.57 0.00 0.00 43.02 38.28 2qbg s PHE 97 CO 0.00 -1.52 2.48 0.94 -0.10 0.00 0.00 175.22 177.02 2qbg n GLN 98 N 7.41 0.37 -1.53 0.44 0.00 -1.26 -4.72 117.38 118.08 2qbg n GLN 98 Ca 0.14 0.04 -0.22 0.00 -0.00 0.00 0.00 57.00 56.96 2qbg n GLN 98 Cb 0.47 -2.03 -0.12 0.00 0.00 0.00 0.00 30.24 28.56 2qbg n GLN 98 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.06 178.04 2qbg n TYR 99 N 11.02 0.80 0.00 3.69 4.19 -1.26 -3.85 117.16 131.76 2qbg n TYR 99 Ca 0.55 0.05 0.00 0.00 3.31 0.00 0.00 57.90 61.81 2qbg n TYR 99 Cb 0.15 -1.98 0.00 0.00 0.49 0.00 0.00 39.34 38.00 2qbg n TYR 99 CO 0.00 0.00 0.00 1.58 0.91 0.00 0.00 176.86 179.35 2qbg n HIS 100 N 13.65 0.00 0.00 2.98 -0.00 -1.26 -4.82 115.22 125.76 2qbg n HIS 100 Ca 0.54 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.72 2qbg n HIS 100 Cb 0.32 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.19 2qbg n HIS 100 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2qbg n GLY 101 N -1.10 0.67 0.19 1.57 0.00 -1.25 -4.56 105.19 100.70 2qbg n GLY 101 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 2qbg n GLY 101 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2qbg h ARG 102 N 0.00 0.58 -0.70 1.61 3.08 -1.91 -1.98 114.38 115.06 2qbg h ARG 102 Ca 0.00 -0.20 -0.00 0.00 0.07 0.00 0.00 59.98 59.85 2qbg h ARG 102 Cb 0.00 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 29.97 2qbg h ARG 102 CO 0.00 0.73 0.43 0.28 -1.07 0.00 0.00 179.97 180.34 2qbg h VAL 103 N 0.37 1.19 -0.15 2.04 2.07 -1.90 -0.30 116.25 119.57 2qbg h VAL 103 Ca 0.09 -0.40 0.03 0.00 0.82 0.00 0.00 66.70 67.23 2qbg h VAL 103 Cb 0.48 0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 2qbg h VAL 103 CO 0.02 0.20 -0.01 -0.61 0.02 0.00 0.00 177.57 177.19 2qbg h GLN 104 N 0.95 0.04 0.00 1.57 -0.00 -1.73 -3.31 115.11 112.63 2qbg h GLN 104 Ca 0.25 -0.00 -0.25 0.00 -0.00 0.00 0.00 58.65 58.65 2qbg h GLN 104 Cb -0.06 -0.01 0.11 0.00 0.00 0.00 0.00 27.48 27.53 2qbg h GLN 104 CO -0.05 0.02 0.16 0.00 0.00 0.00 0.00 178.83 178.97 2qbg n ALA 105 N -2.29 -1.55 0.00 3.38 0.00 -0.12 -3.54 120.51 116.38 2qbg n ALA 105 Ca -0.03 -1.03 0.00 0.00 0.00 0.00 0.00 53.44 52.37 2qbg n ALA 105 Cb 0.09 -0.06 0.00 0.00 0.00 0.00 0.00 19.45 19.48 2qbg n ALA 105 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2qbg n LEU 106 N 0.00 0.00 -0.18 0.00 -0.00 -1.23 -4.24 117.00 111.34 2qbg n LEU 106 Ca 0.10 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 56.01 2qbg n LEU 106 Cb 0.36 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.79 2qbg n LEU 106 CO 0.25 0.00 0.76 0.00 -0.00 0.00 0.00 177.39 178.41 2qbg h ALA 107 N 0.00 0.72 0.00 1.47 0.00 -1.64 0.62 119.26 120.43 2qbg h ALA 107 Ca 0.00 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.48 2qbg h ALA 107 Cb 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2qbg h ALA 107 CO 0.00 0.61 -0.45 -0.44 0.00 0.00 0.00 179.25 178.97 2qbg h ASP 108 N 0.86 0.00 0.19 0.00 3.32 -1.73 0.10 116.42 119.16 2qbg h ASP 108 Ca 0.14 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 2qbg h ASP 108 Cb 0.63 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.19 2qbg h ASP 108 CO 0.04 0.45 -0.09 0.00 -1.72 0.00 0.00 179.24 177.92 2qbg h ALA 109 N 1.55 -0.26 -0.05 3.45 0.00 -1.56 1.05 119.26 123.44 2qbg h ALA 109 Ca -0.00 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 2qbg h ALA 109 Cb 1.09 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 2qbg h ALA 109 CO 0.06 -0.45 -0.30 0.00 0.00 0.00 0.00 179.25 178.56 2qbg h ALA 110 N 0.05 1.41 0.43 0.00 0.00 0.25 0.44 119.26 121.84 2qbg h ALA 110 Ca -0.03 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 2qbg h ALA 110 Cb 0.47 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2qbg h ALA 110 CO 0.04 0.43 -0.21 -0.09 0.00 0.00 0.00 179.25 179.42 2qbg h ARG 111 N 0.08 -0.56 -0.81 0.00 9.65 -0.58 -0.32 114.38 121.84 2qbg h ARG 111 Ca 0.01 0.04 -0.02 0.00 -1.10 0.00 0.00 59.98 58.91 2qbg h ARG 111 Cb 0.58 0.13 -0.04 0.00 -1.39 0.00 0.00 29.97 29.25 2qbg h ARG 111 CO 0.04 -0.26 0.44 1.49 2.80 0.00 0.00 179.97 184.49 2qbg h GLU 112 N -0.88 1.13 -0.20 0.20 4.22 0.14 -2.06 114.58 117.13 2qbg h GLU 112 Ca -0.06 -0.13 0.06 0.00 0.08 0.00 0.00 59.36 59.31 2qbg h GLU 112 Cb 0.56 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2qbg h GLU 112 CO 0.10 0.83 0.17 0.00 -2.18 0.00 0.00 179.01 177.92 2qbg h ALA 113 N 1.35 2.00 0.00 2.92 0.00 -0.07 -3.45 119.26 122.01 2qbg h ALA 113 Ca 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2qbg h ALA 113 Cb 0.03 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2qbg h ALA 113 CO -0.05 -0.27 0.00 0.41 0.00 0.00 0.00 179.25 179.35 2qbg n GLY 114 N -1.49 1.40 3.51 0.00 0.00 -0.77 -4.85 105.19 102.98 2qbg n GLY 114 Ca 0.02 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.57 2qbg n GLY 114 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2qbg n LEU 115 N 0.00 0.45 -4.41 0.99 -0.00 -0.16 -4.91 117.00 108.95 2qbg n LEU 115 Ca 0.00 1.16 -0.44 0.00 -0.00 0.00 0.00 56.01 56.73 2qbg n LEU 115 Cb 0.00 -1.13 -0.08 0.00 -0.00 0.00 0.00 43.42 42.21 2qbg n LEU 115 CO 0.00 -2.07 0.07 -1.10 -0.00 0.00 0.00 177.39 174.29 2qbg s GLN 116 N -1.19 3.01 0.00 1.96 1.11 -1.26 -4.52 119.66 118.77 2qbg s GLN 116 Ca 0.63 -1.19 0.00 0.00 0.01 0.00 0.00 55.36 54.81 2qbg s GLN 116 Cb -0.82 -4.10 0.00 0.00 -1.01 0.00 0.00 33.01 27.08 2qbg s GLN 116 CO 0.58 -1.01 0.00 1.97 0.01 0.00 0.00 175.29 176.83