#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbg s GLU 2 N 0.00 3.92 -0.44 2.12 8.01 -1.26 0.43 118.70 131.49 2qbg s GLU 2 Ca 0.00 -0.36 0.04 0.00 0.01 0.00 0.00 54.97 54.66 2qbg s GLU 2 Cb 0.00 -3.30 0.12 0.00 -4.31 0.00 0.00 34.13 26.63 2qbg s GLU 2 CO 0.00 0.13 0.17 -0.51 0.01 0.00 0.00 175.26 175.06 2qbg s LEU 3 N 0.78 4.36 -0.03 1.80 2.01 -1.26 -4.86 118.68 121.48 2qbg s LEU 3 Ca 0.04 -2.61 -0.36 0.00 0.01 0.00 0.00 54.13 51.22 2qbg s LEU 3 Cb -0.13 -1.58 -0.14 0.00 0.01 0.00 0.00 46.19 44.34 2qbg s LEU 3 CO 0.02 -0.30 1.68 0.52 1.01 0.00 0.00 176.35 179.28 2qbg n VAL 4 N 3.65 0.27 0.18 -1.59 0.31 -1.26 -1.94 118.33 117.94 2qbg n VAL 4 Ca 0.05 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2qbg n VAL 4 Cb 0.37 -1.46 0.00 0.00 -0.91 0.00 0.00 33.84 31.84 2qbg n VAL 4 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2qbg n LEU 5 N 4.79 2.63 0.00 7.52 4.77 -1.26 -4.69 117.00 130.75 2qbg n LEU 5 Ca 0.21 -1.23 0.00 0.00 -0.03 0.00 0.00 56.01 54.96 2qbg n LEU 5 Cb 0.24 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.82 2qbg n LEU 5 CO 0.70 0.47 0.00 1.17 -1.33 0.00 0.00 177.39 178.41 2qbg n LYS 6 N 1.16 0.00 0.00 3.23 0.00 -1.23 -2.91 118.16 118.41 2qbg n LYS 6 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 2qbg n LYS 6 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.35 2qbg n LYS 6 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 2qbg n ASP 7 N 4.19 0.00 0.18 3.14 5.68 -1.26 -2.49 116.55 125.99 2qbg n ASP 7 Ca 0.00 0.48 0.17 0.00 -0.50 0.00 0.00 54.79 54.93 2qbg n ASP 7 Cb 0.00 0.00 0.64 0.00 -1.14 0.00 0.00 41.12 40.62 2qbg n ASP 7 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2qbg h ALA 8 N -2.02 1.90 -6.09 2.12 0.00 -1.95 -3.45 119.26 109.76 2qbg h ALA 8 Ca 0.00 -0.01 -0.40 0.00 0.00 0.00 0.00 54.91 54.50 2qbg h ALA 8 Cb 0.00 0.02 0.11 0.00 0.00 0.00 0.00 17.79 17.92 2qbg h ALA 8 CO 0.00 -0.71 -0.92 0.94 0.00 0.00 0.00 179.25 178.56 2qbg n GLN 9 N -3.17 -1.38 -0.01 0.00 -0.06 -1.04 -4.91 117.38 106.81 2qbg n GLN 9 Ca 0.05 0.53 0.01 0.00 -2.00 0.00 0.00 57.00 55.59 2qbg n GLN 9 Cb 0.69 -4.41 0.02 0.00 -4.06 0.00 0.00 30.24 22.47 2qbg n GLN 9 CO 0.00 0.00 0.00 0.43 -0.20 0.00 0.00 177.06 177.29 2qbg n SER 10 N -2.76 1.89 -0.54 1.69 7.64 -1.26 -4.83 113.62 115.45 2qbg n SER 10 Ca -0.09 -2.05 0.00 0.00 1.01 0.00 0.00 58.87 57.74 2qbg n SER 10 Cb 0.59 -0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.75 2qbg n SER 10 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2qbg n ALA 11 N -0.57 0.00 0.00 -0.43 0.00 -1.24 -4.76 120.51 113.51 2qbg n ALA 11 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2qbg n ALA 11 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.76 2qbg n ALA 11 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2qbg n LEU 12 N 0.00 0.00 -2.36 0.00 -0.00 -0.82 -4.00 117.00 109.82 2qbg n LEU 12 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 56.01 55.99 2qbg n LEU 12 Cb 0.00 0.18 0.00 0.00 -0.00 0.00 0.00 43.42 43.60 2qbg n LEU 12 CO 0.00 -0.34 -0.17 0.41 -0.00 0.00 0.00 177.39 177.29 2qbg n THR 13 N -2.19 -8.52 -3.72 1.96 -1.04 -1.05 -4.89 114.28 94.83 2qbg n THR 13 Ca 0.00 0.96 0.00 0.00 -2.04 0.00 0.00 64.05 62.97 2qbg n THR 13 Cb 0.00 -6.10 0.00 0.00 -1.82 0.00 0.00 70.33 62.41 2qbg n THR 13 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 2qbg n VAL 14 N 0.09 0.00 -2.47 12.58 0.24 0.17 -4.93 118.33 124.01 2qbg n VAL 14 Ca 0.04 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.93 2qbg n VAL 14 Cb 0.14 0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 32.47 2qbg n VAL 14 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2qbg s SER 15 N -0.45 7.25 0.04 -1.34 0.15 -1.26 -3.18 113.70 114.90 2qbg s SER 15 Ca 0.00 2.22 0.13 0.00 0.70 0.00 0.00 55.95 59.00 2qbg s SER 15 Cb 0.00 -2.62 -0.18 0.00 -1.71 0.00 0.00 66.02 61.52 2qbg s SER 15 CO 0.00 -0.19 0.87 -0.08 1.20 0.00 0.00 173.24 175.04 2qbg h GLU 16 N 4.35 0.00 -0.02 5.44 4.81 -1.94 -2.89 114.58 124.33 2qbg h GLU 16 Ca -0.46 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 2qbg h GLU 16 Cb 1.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.59 2qbg h GLU 16 CO 0.69 0.51 0.00 2.41 -0.73 0.00 0.00 179.01 181.90 2qbg n THR 17 N -3.06 0.03 -0.94 0.32 -1.04 -1.26 -0.38 114.28 107.95 2qbg n THR 17 Ca -0.11 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 61.81 2qbg n THR 17 Cb 0.95 -0.13 0.00 0.00 -1.82 0.00 0.00 70.33 69.33 2qbg n THR 17 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 2qbg n THR 18 N -0.54 0.21 -0.52 12.58 -2.24 -1.24 -4.66 114.28 117.86 2qbg n THR 18 Ca 0.19 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 2qbg n THR 18 Cb 0.18 0.83 0.00 0.00 -2.10 0.00 0.00 70.33 69.24 2qbg n THR 18 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2qbg n PHE 19 N -0.12 0.00 -1.90 4.78 3.72 -1.09 -4.76 117.46 118.09 2qbg n PHE 19 Ca 0.00 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.43 2qbg n PHE 19 Cb 0.48 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 39.06 2qbg n PHE 19 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2qbg n GLY 20 N 0.00 1.51 1.75 1.37 0.00 0.49 -4.39 105.19 105.92 2qbg n GLY 20 Ca 0.00 -0.37 -0.15 0.00 0.00 0.00 0.00 46.02 45.49 2qbg n GLY 20 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2qbg n ARG 21 N -0.21 -2.24 -3.67 1.61 1.85 -0.94 -4.88 116.66 108.18 2qbg n ARG 21 Ca 0.04 -0.87 -0.35 0.00 -1.00 0.00 0.00 57.85 55.68 2qbg n ARG 21 Cb 0.76 -0.84 -0.05 0.00 -1.05 0.00 0.00 32.46 31.27 2qbg n ARG 21 CO 0.00 0.00 0.00 0.16 -0.01 0.00 0.00 177.63 177.78 2qbg s ASP 22 N -2.95 6.58 -0.27 2.89 1.47 -1.26 -4.81 116.67 118.32 2qbg s ASP 22 Ca 0.36 0.68 -0.29 0.00 1.18 0.00 0.00 52.55 54.48 2qbg s ASP 22 Cb -0.04 -2.14 -0.00 0.00 -0.34 0.00 0.00 42.92 40.40 2qbg s ASP 22 CO 0.28 0.24 1.34 0.12 0.68 0.00 0.00 175.17 177.83 2qbg s PHE 23 N -1.29 2.63 -1.09 2.11 5.36 -1.26 -4.72 117.98 119.72 2qbg s PHE 23 Ca 0.28 0.84 -0.07 0.00 -0.96 0.00 0.00 56.93 57.02 2qbg s PHE 23 Cb -0.14 -3.86 0.28 0.00 -0.34 0.00 0.00 43.02 38.96 2qbg s PHE 23 CO 0.16 -1.88 1.18 -1.71 -1.46 0.00 0.00 175.22 171.51 2qbg n ASN 24 N 7.59 5.63 -0.17 6.13 4.05 -1.26 -4.91 115.26 132.32 2qbg n ASN 24 Ca 0.15 -3.14 -0.05 0.00 0.45 0.00 0.00 54.58 51.99 2qbg n ASN 24 Cb 0.46 -1.33 0.01 0.00 1.23 0.00 0.00 39.78 40.15 2qbg n ASN 24 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 177.26 174.13 2qbg h GLU 25 N 6.30 -0.16 -0.56 1.20 4.81 -1.98 -1.82 114.58 122.37 2qbg h GLU 25 Ca 0.18 0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.54 2qbg h GLU 25 Cb 0.81 0.04 -0.10 0.00 0.63 0.00 0.00 28.75 30.12 2qbg h GLU 25 CO 1.08 -0.11 -0.08 0.00 -0.73 0.00 0.00 179.01 179.17 2qbg h ALA 26 N 1.01 0.45 0.24 2.92 0.00 -1.99 0.34 119.26 122.22 2qbg h ALA 26 Ca 0.22 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.32 2qbg h ALA 26 Cb 0.53 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2qbg h ALA 26 CO -0.63 -0.42 -0.12 1.25 0.00 0.00 0.00 179.25 179.34 2qbg h LEU 27 N 0.05 -0.29 -1.68 0.00 5.85 -1.78 -1.94 115.31 115.51 2qbg h LEU 27 Ca 0.28 0.01 0.36 0.00 0.84 0.00 0.00 57.88 59.37 2qbg h LEU 27 Cb 0.44 0.08 -0.08 0.00 0.37 0.00 0.00 40.66 41.46 2qbg h LEU 27 CO -0.53 -0.20 0.84 -0.37 -0.34 0.00 0.00 178.44 177.84 2qbg h VAL 28 N -0.32 0.36 0.27 1.05 -1.51 -1.23 0.16 116.25 115.03 2qbg h VAL 28 Ca -0.03 -0.05 -0.01 0.00 -1.23 0.00 0.00 66.70 65.38 2qbg h VAL 28 Cb 0.25 0.20 0.00 0.00 -2.13 0.00 0.00 31.29 29.61 2qbg h VAL 28 CO 0.05 0.03 -0.13 -0.74 -1.23 0.00 0.00 177.57 175.54 2qbg h HIS 29 N 0.14 -0.34 0.00 5.19 -0.00 -0.72 0.41 115.15 119.84 2qbg h HIS 29 Ca 0.66 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 61.02 2qbg h HIS 29 Cb 2.21 0.11 0.00 0.00 -0.00 0.00 0.00 27.41 29.73 2qbg h HIS 29 CO -0.00 -0.05 0.00 0.94 -0.00 0.00 0.00 177.93 178.82 2qbg n GLN 30 N -5.14 0.02 -0.14 5.26 7.27 0.49 -1.02 117.38 124.11 2qbg n GLN 30 Ca -0.10 0.36 -0.28 0.00 0.07 0.00 0.00 57.00 57.05 2qbg n GLN 30 Cb 0.24 -1.50 -0.10 0.00 2.41 0.00 0.00 30.24 31.28 2qbg n GLN 30 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 2qbg n VAL 31 N -1.39 1.53 0.26 1.69 0.31 -0.74 -3.33 118.33 116.66 2qbg n VAL 31 Ca 0.01 -0.37 0.08 0.00 -0.01 0.00 0.00 64.34 64.05 2qbg n VAL 31 Cb 0.02 -1.86 0.65 0.00 -0.91 0.00 0.00 33.84 31.74 2qbg n VAL 31 CO 0.00 0.00 0.00 -0.37 -1.32 0.00 0.00 176.83 175.14 2qbg h VAL 32 N -0.92 0.98 -0.00 2.52 -1.51 0.45 0.25 116.25 118.02 2qbg h VAL 32 Ca -0.67 -0.08 -0.26 0.00 -1.23 0.00 0.00 66.70 64.46 2qbg h VAL 32 Cb 1.62 1.04 0.02 0.00 -2.13 0.00 0.00 31.29 31.84 2qbg h VAL 32 CO -0.38 0.02 -1.01 0.58 -1.23 0.00 0.00 177.57 175.55 2qbg h VAL 33 N 0.00 1.29 -0.83 7.19 2.07 -1.27 0.40 116.25 125.09 2qbg h VAL 33 Ca -0.00 -2.23 -0.00 0.00 0.82 0.00 0.00 66.70 65.29 2qbg h VAL 33 Cb 0.04 2.39 -0.04 0.00 -1.52 0.00 0.00 31.29 32.16 2qbg h VAL 33 CO 0.00 0.69 0.52 0.00 0.02 0.00 0.00 177.57 178.80 2qbg h ALA 34 N 0.40 1.06 -0.00 1.67 0.00 -1.13 0.41 119.26 121.66 2qbg h ALA 34 Ca -0.13 -0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.54 2qbg h ALA 34 Cb 1.67 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 2qbg h ALA 34 CO 0.20 0.51 -0.74 -0.92 0.00 0.00 0.00 179.25 178.30 2qbg h TYR 35 N 1.14 0.05 -0.38 0.00 5.03 -0.53 -2.69 116.97 119.58 2qbg h TYR 35 Ca 0.30 -0.02 0.03 0.00 2.58 0.00 0.00 58.73 61.62 2qbg h TYR 35 Cb -0.07 -0.01 -0.03 0.00 1.55 0.00 0.00 36.73 38.17 2qbg h TYR 35 CO -0.01 0.76 0.18 0.00 -1.32 0.00 0.00 178.16 177.77 2qbg h ALA 36 N 1.24 0.47 -3.00 1.82 0.00 0.17 -3.35 119.26 116.61 2qbg h ALA 36 Ca -0.01 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2qbg h ALA 36 Cb 1.30 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2qbg h ALA 36 CO 0.10 -0.19 0.00 0.00 0.00 0.00 0.00 179.25 179.16 2qbg n ALA 37 N -2.29 0.00 0.00 0.00 0.00 0.13 -3.90 120.51 114.45 2qbg n ALA 37 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2qbg n ALA 37 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.55 2qbg n ALA 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qbg n GLY 38 N 4.83 0.65 0.07 0.00 0.00 -1.15 -4.16 105.19 105.44 2qbg n GLY 38 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 2qbg n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qbg n ALA 39 N 0.00 1.77 -1.00 4.61 0.00 -1.25 -4.73 120.51 119.91 2qbg n ALA 39 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2qbg n ALA 39 Cb 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.10 2qbg n ALA 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qbg n ARG 40 N -1.92 -1.72 -3.57 0.00 5.12 -1.26 -5.08 116.66 108.24 2qbg n ARG 40 Ca 0.03 0.00 -0.01 0.00 -1.93 0.00 0.00 57.85 55.94 2qbg n ARG 40 Cb 0.24 0.00 -0.06 0.00 -1.16 0.00 0.00 32.46 31.48 2qbg n ARG 40 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 2qbg s GLN 41 N -2.76 0.33 0.00 5.56 0.74 -1.26 -5.03 119.66 117.24 2qbg s GLN 41 Ca 0.00 0.64 0.00 0.00 0.05 0.00 0.00 55.36 56.05 2qbg s GLN 41 Cb 0.00 0.18 0.00 0.00 1.10 0.00 0.00 33.01 34.29 2qbg s GLN 41 CO 0.00 -0.08 0.00 0.41 -0.55 0.00 0.00 175.29 175.07 2qbg n GLY 42 N 4.06 -1.46 3.11 2.59 0.00 -1.15 -4.89 105.19 107.44 2qbg n GLY 42 Ca -0.16 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.77 2qbg n GLY 42 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2qbg n THR 43 N 0.00 -5.82 -3.77 2.61 -2.24 -1.26 -4.69 114.28 99.11 2qbg n THR 43 Ca 0.00 0.78 -0.15 0.00 -2.27 0.00 0.00 64.05 62.41 2qbg n THR 43 Cb 0.00 -4.53 -0.16 0.00 -2.10 0.00 0.00 70.33 63.54 2qbg n THR 43 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2qbg s ARG 44 N -1.64 -0.04 0.00 -0.78 1.81 -1.26 -4.95 118.95 112.10 2qbg s ARG 44 Ca 0.11 0.19 0.00 0.00 -1.72 0.00 0.00 55.73 54.31 2qbg s ARG 44 Cb -0.02 -0.25 0.00 0.00 -0.45 0.00 0.00 34.95 34.24 2qbg s ARG 44 CO 0.46 -0.17 0.00 0.00 -0.68 0.00 0.00 175.30 174.91 2qbg n ALA 45 N 4.19 0.00 -1.49 2.13 0.00 -1.26 -4.33 120.51 119.74 2qbg n ALA 45 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.16 2qbg n ALA 45 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 2qbg n ALA 45 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2qbg n GLN 46 N 0.00 -2.50 -4.01 0.00 1.13 -1.26 -4.46 117.38 106.28 2qbg n GLN 46 Ca 0.00 2.06 -0.33 0.00 -1.94 0.00 0.00 57.00 56.79 2qbg n GLN 46 Cb 0.00 -2.31 -0.15 0.00 0.11 0.00 0.00 30.24 27.90 2qbg n GLN 46 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2qbg s LYS 47 N -1.55 2.45 1.14 -1.09 1.02 -1.26 -4.61 119.74 115.84 2qbg s LYS 47 Ca 0.00 -1.22 -0.13 0.00 0.02 0.00 0.00 55.97 54.64 2qbg s LYS 47 Cb 0.00 -2.96 0.27 0.00 -0.52 0.00 0.00 37.83 34.62 2qbg s LYS 47 CO 0.00 -0.53 1.04 0.95 -0.92 0.00 0.00 175.35 175.89 2qbg s THR 48 N 1.20 2.02 0.41 2.17 -4.23 -1.26 -4.26 115.64 111.69 2qbg s THR 48 Ca -0.05 0.01 0.31 0.00 -1.18 0.00 0.00 61.69 60.77 2qbg s THR 48 Cb -0.19 -2.15 0.31 0.00 1.34 0.00 0.00 72.50 71.81 2qbg s THR 48 CO -0.04 -0.01 1.92 0.08 -0.54 0.00 0.00 174.62 176.03 2qbg h ARG 49 N -2.51 0.00 0.00 3.99 0.11 -1.71 0.50 114.38 114.77 2qbg h ARG 49 Ca -0.60 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 59.39 2qbg h ARG 49 Cb 1.33 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.40 2qbg h ARG 49 CO 0.52 0.00 -0.95 0.00 0.10 0.00 0.00 179.97 179.64 2qbg h ALA 50 N 1.65 0.65 0.00 0.08 0.00 -1.90 -3.37 119.26 116.36 2qbg h ALA 50 Ca 0.00 -0.40 -0.18 0.00 0.00 0.00 0.00 54.91 54.33 2qbg h ALA 50 Cb 0.32 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 2qbg h ALA 50 CO 0.00 0.46 -1.01 0.93 0.00 0.00 0.00 179.25 179.63 2qbg h GLU 51 N 0.00 0.00 -5.74 0.00 5.08 -0.37 -3.47 114.58 110.07 2qbg h GLU 51 Ca -0.06 0.00 -0.82 0.00 -1.00 0.00 0.00 59.36 57.47 2qbg h GLU 51 Cb 1.29 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.56 2qbg h GLU 51 CO 0.03 0.91 0.53 0.28 -1.00 0.00 0.00 179.01 179.76 2qbg n VAL 52 N -4.48 0.00 -1.82 3.13 0.31 -0.13 -4.82 118.33 110.51 2qbg n VAL 52 Ca -0.27 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 63.67 2qbg n VAL 52 Cb 0.61 -0.38 0.02 0.00 -0.91 0.00 0.00 33.84 33.18 2qbg n VAL 52 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 2qbg s THR 53 N 2.25 2.13 0.00 2.52 -4.23 -1.26 -4.94 115.64 112.11 2qbg s THR 53 Ca 0.98 0.11 0.00 0.00 -1.18 0.00 0.00 61.69 61.60 2qbg s THR 53 Cb -1.39 -3.07 0.00 0.00 1.34 0.00 0.00 72.50 69.39 2qbg s THR 53 CO 0.73 0.01 0.00 0.61 -0.54 0.00 0.00 174.62 175.44 2qbg n GLY 54 N 0.60 1.73 3.91 3.99 0.00 -1.26 -5.02 105.19 109.14 2qbg n GLY 54 Ca 0.05 -1.26 -0.28 0.00 0.00 0.00 0.00 46.02 44.53 2qbg n GLY 54 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2qbg s SER 55 N 0.00 4.49 -0.03 1.61 0.15 -1.26 -5.01 113.70 113.66 2qbg s SER 55 Ca 0.00 0.70 0.21 0.00 0.70 0.00 0.00 55.95 57.56 2qbg s SER 55 Cb 0.00 -1.19 -0.27 0.00 -1.71 0.00 0.00 66.02 62.84 2qbg s SER 55 CO 0.00 -1.89 0.50 0.61 1.20 0.00 0.00 173.24 173.65 2qbg n GLY 56 N -3.27 -1.07 3.69 9.45 0.00 -1.26 -4.76 105.19 107.97 2qbg n GLY 56 Ca 0.08 -0.43 -0.45 0.00 0.00 0.00 0.00 46.02 45.23 2qbg n GLY 56 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2qbg n LYS 57 N -2.43 2.45 -3.36 1.61 4.81 -1.26 -4.92 118.16 115.05 2qbg n LYS 57 Ca -0.09 0.89 -0.38 0.00 -0.87 0.00 0.00 58.31 57.86 2qbg n LYS 57 Cb 0.69 -2.72 -0.07 0.00 0.02 0.00 0.00 35.03 32.95 2qbg n LYS 57 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2qbg s LYS 58 N 1.97 4.22 -0.93 1.64 3.01 -1.26 -4.68 119.74 123.70 2qbg s LYS 58 Ca 0.81 0.27 -0.26 0.00 -1.01 0.00 0.00 55.97 55.78 2qbg s LYS 58 Cb -0.59 -3.51 -0.19 0.00 -1.01 0.00 0.00 37.83 32.53 2qbg s LYS 58 CO 0.39 0.01 2.26 -2.30 0.51 0.00 0.00 175.35 176.22 2qbg n PRO 59 N 4.28 0.33 0.00 -1.68 -0.02 -1.26 -4.73 135.00 131.92 2qbg n PRO 59 Ca -0.08 -1.25 0.00 0.00 -2.02 0.00 0.00 63.50 60.15 2qbg n PRO 59 Cb 0.51 -3.79 0.00 0.00 -0.02 0.00 0.00 33.50 30.20 2qbg n PRO 59 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 2qbg n TRP 60 N 19.24 0.00 -0.01 6.00 5.03 -1.26 -4.78 117.44 141.66 2qbg n TRP 60 Ca 0.44 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.97 2qbg n TRP 60 Cb 0.45 0.00 0.00 0.00 -1.03 0.00 0.00 31.31 30.73 2qbg n TRP 60 CO 0.00 0.00 0.00 -2.13 -0.03 0.00 0.00 177.69 175.53 2qbg n ARG 61 N 0.00 0.00 0.00 -0.99 0.00 -1.26 -4.95 116.66 109.45 2qbg n ARG 61 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2qbg n ARG 61 Cb 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 32.46 32.12 2qbg n ARG 61 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 2qbg n GLN 62 N -2.00 0.00 -2.23 -0.14 7.27 -1.26 -4.37 117.38 114.66 2qbg n GLN 62 Ca 0.00 0.00 -0.30 0.00 0.07 0.00 0.00 57.00 56.77 2qbg n GLN 62 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 2qbg n GLN 62 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 2qbg s LYS 63 N 0.00 3.61 0.00 3.69 1.02 -1.26 -3.97 119.74 122.83 2qbg s LYS 63 Ca 0.00 0.56 0.00 0.00 0.02 0.00 0.00 55.97 56.55 2qbg s LYS 63 Cb 0.00 -2.20 0.00 0.00 -0.52 0.00 0.00 37.83 35.11 2qbg s LYS 63 CO 0.00 -0.39 0.00 0.41 -0.92 0.00 0.00 175.35 174.45 2qbg n GLY 64 N -2.42 2.61 3.82 -3.33 0.00 -1.26 -5.00 105.19 99.60 2qbg n GLY 64 Ca 0.04 -0.62 -0.37 0.00 0.00 0.00 0.00 46.02 45.06 2qbg n GLY 64 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2qbg s THR 65 N -0.85 4.70 0.40 2.61 -1.32 -1.25 -4.99 115.64 114.93 2qbg s THR 65 Ca 0.00 1.18 0.06 0.00 -1.21 0.00 0.00 61.69 61.72 2qbg s THR 65 Cb 0.00 -3.87 0.26 0.00 -1.51 0.00 0.00 72.50 67.38 2qbg s THR 65 CO 0.00 0.41 2.04 1.23 -2.21 0.00 0.00 174.62 176.09 2qbg h GLY 66 N 4.07 0.64 -1.08 6.08 0.00 -1.95 -3.45 103.07 107.38 2qbg h GLY 66 Ca -0.49 -0.24 -0.41 0.00 0.00 0.00 0.00 47.33 46.19 2qbg h GLY 66 CO 0.65 0.24 -0.15 -0.96 0.00 0.00 0.00 176.54 176.32 2qbg n ARG 67 N -4.46 -3.32 -3.47 4.80 1.85 -1.26 -4.96 116.66 105.84 2qbg n ARG 67 Ca 0.04 -0.96 -0.40 0.00 -1.00 0.00 0.00 57.85 55.52 2qbg n ARG 67 Cb 0.06 -2.04 -0.10 0.00 -1.05 0.00 0.00 32.46 29.34 2qbg n ARG 67 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2qbg s ALA 68 N -2.28 3.51 0.00 2.89 0.00 -1.26 -4.99 121.76 119.63 2qbg s ALA 68 Ca 0.67 -1.24 0.00 0.00 0.00 0.00 0.00 51.96 51.39 2qbg s ALA 68 Cb -0.20 -2.72 0.00 0.00 0.00 0.00 0.00 23.12 20.19 2qbg s ALA 68 CO 0.62 -0.96 0.00 0.54 0.00 0.00 0.00 175.76 175.97 2qbg n ARG 69 N 5.25 0.00 -0.24 0.00 1.74 -1.26 -4.91 116.66 117.24 2qbg n ARG 69 Ca -0.11 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.97 2qbg n ARG 69 Cb 0.50 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.94 2qbg n ARG 69 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2qbg n SER 70 N 1.66 -1.80 0.00 0.55 2.88 -1.26 -4.65 113.62 111.00 2qbg n SER 70 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2qbg n SER 70 Cb 0.00 -0.05 0.00 0.00 -0.75 0.00 0.00 64.21 63.41 2qbg n SER 70 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2qbg n GLY 71 N 0.10 -0.15 3.62 0.46 0.00 -1.26 -4.66 105.19 103.29 2qbg n GLY 71 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 2qbg n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2qbg s SER 72 N -0.03 -0.37 0.00 1.61 0.15 -1.26 -4.57 113.70 109.23 2qbg s SER 72 Ca 0.00 0.60 0.14 0.00 0.70 0.00 0.00 55.95 57.39 2qbg s SER 72 Cb 0.00 0.56 0.63 0.00 -1.71 0.00 0.00 66.02 65.50 2qbg s SER 72 CO 0.00 -0.21 1.44 0.00 1.20 0.00 0.00 173.24 175.67 2qbg n ILE 73 N 1.54 0.16 0.43 6.45 3.06 -1.26 -2.38 119.36 127.36 2qbg n ILE 73 Ca -0.11 -0.20 0.05 0.00 -2.50 0.00 0.00 62.75 59.99 2qbg n ILE 73 Cb 0.57 0.07 -0.00 0.00 0.54 0.00 0.00 39.64 40.82 2qbg n ILE 73 CO 0.00 0.00 0.00 0.29 -2.50 0.00 0.00 176.55 174.34 2qbg n LYS 74 N -0.13 2.21 -1.63 9.51 5.02 -1.26 -4.83 118.16 127.04 2qbg n LYS 74 Ca 0.12 -0.56 -0.61 0.00 -2.02 0.00 0.00 58.31 55.24 2qbg n LYS 74 Cb 0.18 -1.06 -0.08 0.00 -0.02 0.00 0.00 35.03 34.04 2qbg n LYS 74 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2qbg n SER 75 N -0.31 1.04 -0.37 4.39 2.88 -1.00 -3.93 113.62 116.32 2qbg n SER 75 Ca 0.04 1.15 0.31 0.00 -1.33 0.00 0.00 58.87 59.04 2qbg n SER 75 Cb 0.20 -0.98 0.63 0.00 -0.75 0.00 0.00 64.21 63.31 2qbg n SER 75 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 2qbg h PRO 76 N 4.60 0.18 -0.11 -1.46 0.11 -1.89 0.33 132.00 133.77 2qbg h PRO 76 Ca -0.47 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.58 2qbg h PRO 76 Cb 1.38 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.44 2qbg h PRO 76 CO 0.83 0.12 -0.12 0.82 -0.21 0.00 0.00 178.00 179.45 2qbg h ILE 77 N 0.19 1.36 -2.69 4.15 2.04 -1.89 -3.42 117.51 117.26 2qbg h ILE 77 Ca 0.65 -1.29 -0.55 0.00 1.00 0.00 0.00 64.86 64.66 2qbg h ILE 77 Cb 2.08 1.98 0.22 0.00 -0.74 0.00 0.00 36.82 40.35 2qbg h ILE 77 CO -0.22 0.37 -1.09 0.79 0.00 0.00 0.00 178.15 178.00 2qbg n TRP 78 N -4.62 -2.92 0.00 1.37 5.03 0.11 -4.98 117.44 111.43 2qbg n TRP 78 Ca -0.07 0.17 0.00 0.00 3.03 0.00 0.00 57.50 60.64 2qbg n TRP 78 Cb 0.34 -1.66 0.00 0.00 -1.03 0.00 0.00 31.31 28.96 2qbg n TRP 78 CO 0.00 0.00 0.00 -2.13 -0.03 0.00 0.00 177.69 175.53 2qbg n ARG 79 N 0.41 0.00 -1.68 -0.99 0.00 -1.26 -4.75 116.66 108.39 2qbg n ARG 79 Ca 0.04 0.00 -0.43 0.00 -0.00 0.00 0.00 57.85 57.46 2qbg n ARG 79 Cb 0.53 0.00 -0.01 0.00 0.00 0.00 0.00 32.46 32.98 2qbg n ARG 79 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 2qbg n SER 80 N 0.00 2.70 -0.72 6.15 7.64 -1.26 -4.71 113.62 123.42 2qbg n SER 80 Ca 0.00 1.18 0.01 0.00 1.01 0.00 0.00 58.87 61.07 2qbg n SER 80 Cb 0.00 -1.45 -0.01 0.00 -1.01 0.00 0.00 64.21 61.74 2qbg n SER 80 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qbg n GLY 81 N 1.34 -3.33 0.00 0.23 0.00 -1.26 -4.75 105.19 97.43 2qbg n GLY 81 Ca 0.08 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.98 2qbg n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qbg n GLY 82 N -2.19 -0.04 2.21 -0.02 0.00 -1.25 -4.66 105.19 99.24 2qbg n GLY 82 Ca -0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 46.02 45.89 2qbg n GLY 82 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2qbg n VAL 83 N 0.00 -8.46 -0.04 1.61 0.31 -1.26 -2.88 118.33 107.61 2qbg n VAL 83 Ca 0.00 1.35 -0.09 0.00 -0.01 0.00 0.00 64.34 65.59 2qbg n VAL 83 Cb 0.00 -5.62 -0.02 0.00 -0.91 0.00 0.00 33.84 27.29 2qbg n VAL 83 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 2qbg h THR 84 N 2.09 0.40 -3.01 2.52 2.02 -1.92 -3.31 112.91 111.69 2qbg h THR 84 Ca -0.14 0.00 -0.62 0.00 0.77 0.00 0.00 66.41 66.43 2qbg h THR 84 Cb 0.30 0.40 -0.41 0.00 -1.74 0.00 0.00 68.15 66.70 2qbg h THR 84 CO 0.04 0.00 -0.65 -0.36 0.37 0.00 0.00 175.52 174.92 2qbg s PHE 85 N -6.08 3.04 -0.07 3.16 0.08 -1.26 -4.91 117.98 111.93 2qbg s PHE 85 Ca -0.15 -3.10 -0.30 0.00 0.12 0.00 0.00 56.93 53.50 2qbg s PHE 85 Cb 0.12 -2.40 -0.08 0.00 -0.57 0.00 0.00 43.02 40.08 2qbg s PHE 85 CO 0.68 -0.63 2.04 0.00 -0.10 0.00 0.00 175.22 177.21 2qbg n ALA 86 N 2.37 1.51 -1.76 5.36 0.00 -1.25 -4.94 120.51 121.80 2qbg n ALA 86 Ca 0.18 0.08 -0.37 0.00 0.00 0.00 0.00 53.44 53.33 2qbg n ALA 86 Cb 0.36 -2.72 0.02 0.00 0.00 0.00 0.00 19.45 17.12 2qbg n ALA 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbg s ALA 87 N 5.62 2.84 0.17 0.00 0.00 -1.26 -4.94 121.76 124.19 2qbg s ALA 87 Ca 0.94 1.12 0.03 0.00 0.00 0.00 0.00 51.96 54.04 2qbg s ALA 87 Cb -0.47 -3.47 -0.05 0.00 0.00 0.00 0.00 23.12 19.13 2qbg s ALA 87 CO 0.42 -1.05 -0.03 1.03 0.00 0.00 0.00 175.76 176.14 2qbg s ARG 88 N -2.89 1.11 -0.44 0.00 1.81 -1.26 -4.31 118.95 112.97 2qbg s ARG 88 Ca 0.69 -1.52 -0.44 0.00 -1.72 0.00 0.00 55.73 52.74 2qbg s ARG 88 Cb -0.34 -0.39 -0.18 0.00 -0.45 0.00 0.00 34.95 33.59 2qbg s ARG 88 CO 0.40 -0.07 1.80 -2.30 -0.68 0.00 0.00 175.30 174.44 2qbg n PRO 89 N -0.25 0.34 -3.90 3.54 -0.02 -1.26 -4.73 135.00 128.72 2qbg n PRO 89 Ca -0.08 0.12 -0.23 0.00 -2.02 0.00 0.00 63.50 61.29 2qbg n PRO 89 Cb 0.63 -1.70 -0.05 0.00 -0.02 0.00 0.00 33.50 32.35 2qbg n PRO 89 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2qbg s GLN 90 N 4.03 2.40 -0.41 -0.52 -0.21 -1.26 -4.92 119.66 118.77 2qbg s GLN 90 Ca 1.07 -1.64 0.02 0.00 0.02 0.00 0.00 55.36 54.83 2qbg s GLN 90 Cb -1.36 -2.19 0.15 0.00 1.00 0.00 0.00 33.01 30.61 2qbg s GLN 90 CO 0.72 -0.08 0.26 0.34 -2.12 0.00 0.00 175.29 174.42 2qbg s ASP 91 N -3.98 2.87 0.00 5.90 2.15 -1.26 -2.94 116.67 119.41 2qbg s ASP 91 Ca 0.43 -2.60 0.00 0.00 0.43 0.00 0.00 52.55 50.81 2qbg s ASP 91 Cb -0.01 -0.63 0.00 0.00 -0.30 0.00 0.00 42.92 41.98 2qbg s ASP 91 CO 0.25 -0.25 1.54 1.41 -0.17 0.00 0.00 175.17 177.94 2qbg n HIS 92 N 3.52 0.00 -3.12 -5.34 8.25 -1.26 -4.84 115.22 112.43 2qbg n HIS 92 Ca 0.16 -0.77 -0.42 0.00 -0.26 0.00 0.00 57.72 56.43 2qbg n HIS 92 Cb 0.39 -0.43 -0.07 0.00 1.12 0.00 0.00 29.99 31.00 2qbg n HIS 92 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2qbg s SER 93 N 1.94 6.44 0.73 0.41 0.01 -1.26 -2.96 113.70 119.00 2qbg s SER 93 Ca 0.00 0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.45 2qbg s SER 93 Cb 0.00 -2.33 0.00 0.00 0.21 0.00 0.00 66.02 63.90 2qbg s SER 93 CO 0.00 -0.57 0.00 0.00 0.41 0.00 0.00 173.24 173.08 2qbg n GLN 94 N 6.00 0.29 -0.07 12.44 6.02 -1.26 -5.01 117.38 135.79 2qbg n GLN 94 Ca -0.01 0.00 -0.07 0.00 -0.01 0.00 0.00 57.00 56.91 2qbg n GLN 94 Cb 0.49 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.72 2qbg n GLN 94 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 2qbg n LYS 95 N -0.97 0.41 -2.43 -1.09 4.81 -1.26 -5.07 118.16 112.56 2qbg n LYS 95 Ca 0.00 0.16 -0.02 0.00 -0.87 0.00 0.00 58.31 57.58 2qbg n LYS 95 Cb 0.00 -1.22 -0.02 0.00 0.02 0.00 0.00 35.03 33.82 2qbg n LYS 95 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2qbg n VAL 96 N -4.11-10.51 -1.50 3.15 0.31 -1.26 -4.89 118.33 99.52 2qbg n VAL 96 Ca -0.11 1.83 -0.44 0.00 -0.01 0.00 0.00 64.34 65.62 2qbg n VAL 96 Cb 0.40 -6.19 -0.01 0.00 -0.91 0.00 0.00 33.84 27.14 2qbg n VAL 96 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2qbg n ASN 97 N 0.92 -0.04 0.01 4.52 3.02 -1.26 -4.72 115.26 117.72 2qbg n ASN 97 Ca -0.15 1.06 0.23 0.00 -0.03 0.00 0.00 54.58 55.68 2qbg n ASN 97 Cb 0.24 -1.16 0.70 0.00 -0.61 0.00 0.00 39.78 38.95 2qbg n ASN 97 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 2qbg h LYS 98 N 1.32 0.00 0.03 3.52 3.64 -2.01 -1.35 116.57 121.71 2qbg h LYS 98 Ca -0.38 0.00 -0.38 0.00 -1.27 0.00 0.00 60.65 58.62 2qbg h LYS 98 Cb 1.38 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 33.15 2qbg h LYS 98 CO 0.56 0.00 -2.25 1.63 -2.27 0.00 0.00 179.45 177.12 2qbg n LYS 99 N -3.69 0.65 0.11 1.90 5.02 -1.26 -4.04 118.16 116.86 2qbg n LYS 99 Ca 0.11 0.25 0.14 0.00 -2.02 0.00 0.00 58.31 56.79 2qbg n LYS 99 Cb 0.80 -1.58 0.65 0.00 -0.02 0.00 0.00 35.03 34.88 2qbg n LYS 99 CO 0.00 0.00 0.00 0.52 -0.52 0.00 0.00 177.40 177.40 2qbg h MET 100 N -0.31 0.03 0.16 1.97 2.86 -1.73 0.36 114.93 118.27 2qbg h MET 100 Ca -0.55 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.08 2qbg h MET 100 Cb 1.81 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 33.46 2qbg h MET 100 CO -0.13 0.02 -0.08 -0.92 1.06 0.00 0.00 176.91 176.86 2qbg h TYR 101 N 0.03 -0.20 -0.65 -0.22 3.20 -1.45 -0.18 116.97 117.51 2qbg h TYR 101 Ca 0.14 -0.00 0.12 0.00 3.14 0.00 0.00 58.73 62.13 2qbg h TYR 101 Cb 0.53 0.07 -0.09 0.00 1.54 0.00 0.00 36.73 38.77 2qbg h TYR 101 CO -0.00 -0.12 0.18 0.00 -1.64 0.00 0.00 178.16 176.57 2qbg h ARG 102 N -0.23 0.30 -0.44 1.82 3.08 -1.62 0.67 114.38 117.96 2qbg h ARG 102 Ca -0.02 -0.02 0.08 0.00 0.07 0.00 0.00 59.98 60.09 2qbg h ARG 102 Cb 0.16 -0.07 -0.10 0.00 0.08 0.00 0.00 29.97 30.05 2qbg h ARG 102 CO 0.04 0.20 -0.36 0.78 -1.07 0.00 0.00 179.97 179.55 2qbg h GLY 103 N 0.31 -0.32 0.73 0.04 0.00 -0.24 -1.12 103.07 102.47 2qbg h GLY 103 Ca 0.35 0.46 -0.00 0.00 0.00 0.00 0.00 47.33 48.13 2qbg h GLY 103 CO -0.41 -0.20 0.00 0.00 0.00 0.00 0.00 176.54 175.94 2qbg h ALA 104 N 0.70 0.04 0.00 3.60 0.00 0.24 -3.12 119.26 120.71 2qbg h ALA 104 Ca 0.17 -0.15 -0.23 0.00 0.00 0.00 0.00 54.91 54.70 2qbg h ALA 104 Cb 0.56 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2qbg h ALA 104 CO -0.58 -0.31 1.01 -0.11 0.00 0.00 0.00 179.25 179.26 2qbg n LEU 105 N -4.92 4.14 0.00 0.00 7.94 0.22 -1.15 117.00 123.24 2qbg n LEU 105 Ca -0.07 -2.54 0.00 0.00 -1.11 0.00 0.00 56.01 52.29 2qbg n LEU 105 Cb 0.17 -1.00 0.00 0.00 0.53 0.00 0.00 43.42 43.12 2qbg n LEU 105 CO 0.34 0.87 0.00 0.29 -1.11 0.00 0.00 177.39 177.78 2qbg n LYS 106 N 3.21 0.00 0.04 1.96 5.02 -0.99 -4.79 118.16 122.62 2qbg n LYS 106 Ca 0.36 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.67 2qbg n LYS 106 Cb 0.42 -0.10 -0.07 0.00 -0.02 0.00 0.00 35.03 35.26 2qbg n LYS 106 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2qbg n SER 107 N -1.63 0.82 0.16 4.39 3.41 -0.84 0.21 113.62 120.14 2qbg n SER 107 Ca 0.00 0.35 0.13 0.00 -0.26 0.00 0.00 58.87 59.10 2qbg n SER 107 Cb 0.00 0.27 0.48 0.00 -0.26 0.00 0.00 64.21 64.71 2qbg n SER 107 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 2qbg h ILE 108 N 0.00 0.00 0.00 -1.33 -0.00 -1.42 -1.51 117.51 113.25 2qbg h ILE 108 Ca -0.14 -0.41 -0.31 0.00 -0.00 0.00 0.00 64.86 64.00 2qbg h ILE 108 Cb 1.47 1.28 -0.05 0.00 -0.00 0.00 0.00 36.82 39.52 2qbg h ILE 108 CO 0.04 0.00 -2.12 -0.11 -0.00 0.00 0.00 178.15 175.96 2qbg n LEU 109 N -2.49 2.36 -0.26 2.19 7.94 -1.21 -3.99 117.00 121.54 2qbg n LEU 109 Ca 0.03 0.04 0.17 0.00 -1.11 0.00 0.00 56.01 55.14 2qbg n LEU 109 Cb 0.32 -0.64 0.47 0.00 0.53 0.00 0.00 43.42 44.09 2qbg n LEU 109 CO 0.25 0.66 1.22 -1.28 -1.11 0.00 0.00 177.39 177.13 2qbg h SER 110 N -0.30 0.49 -0.11 1.96 0.87 -0.20 0.20 113.55 116.45 2qbg h SER 110 Ca -0.47 0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 60.12 2qbg h SER 110 Cb 1.58 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 63.49 2qbg h SER 110 CO -0.17 0.20 -0.02 -0.08 -0.53 0.00 0.00 176.83 176.23 2qbg h GLU 111 N 0.49 0.22 -1.06 2.24 4.22 -1.48 -2.80 114.58 116.40 2qbg h GLU 111 Ca 0.47 -0.08 0.32 0.00 0.08 0.00 0.00 59.36 60.16 2qbg h GLU 111 Cb 1.06 -0.01 -0.13 0.00 0.50 0.00 0.00 28.75 30.16 2qbg h GLU 111 CO -0.20 0.51 0.64 -0.07 -2.18 0.00 0.00 179.01 177.71 2qbg h LEU 112 N -0.10 0.47 0.56 1.64 3.38 -0.75 0.44 115.31 120.96 2qbg h LEU 112 Ca 0.03 0.16 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 2qbg h LEU 112 Cb 0.43 0.10 0.01 0.00 0.09 0.00 0.00 40.66 41.29 2qbg h LEU 112 CO 0.01 -0.08 -0.27 0.58 0.09 0.00 0.00 178.44 178.77 2qbg h VAL 113 N 0.32 0.38 -0.99 1.22 2.07 -1.17 0.23 116.25 118.31 2qbg h VAL 113 Ca 0.72 -0.25 0.15 0.00 0.82 0.00 0.00 66.70 68.14 2qbg h VAL 113 Cb 1.76 0.47 -0.10 0.00 -1.52 0.00 0.00 31.29 31.90 2qbg h VAL 113 CO -0.50 0.04 0.61 0.03 0.02 0.00 0.00 177.57 177.76 2qbg h ARG 114 N -0.93 0.83 -0.63 1.57 3.08 -0.26 0.57 114.38 118.61 2qbg h ARG 114 Ca -0.08 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.92 2qbg h ARG 114 Cb 0.64 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.50 2qbg h ARG 114 CO 0.13 0.55 0.00 1.04 -1.07 0.00 0.00 179.97 180.62 2qbg n GLN 115 N -4.71 1.39 -4.23 0.04 6.02 0.12 -4.88 117.38 111.13 2qbg n GLN 115 Ca 0.21 -0.38 -0.30 0.00 -0.01 0.00 0.00 57.00 56.52 2qbg n GLN 115 Cb 0.46 -1.40 -0.09 0.00 1.02 0.00 0.00 30.24 30.22 2qbg n GLN 115 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 2qbg n ASP 116 N -0.03 0.75 -0.32 1.08 9.92 0.20 -4.80 116.55 123.34 2qbg n ASP 116 Ca 0.03 -1.21 0.03 0.00 -0.53 0.00 0.00 54.79 53.12 2qbg n ASP 116 Cb 0.26 -1.50 0.06 0.00 -0.64 0.00 0.00 41.12 39.30 2qbg n ASP 116 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2qbg n ARG 117 N -4.36 1.70 -3.58 -1.24 1.74 0.75 -4.85 116.66 106.82 2qbg n ARG 117 Ca -0.29 -1.44 -0.40 0.00 -0.77 0.00 0.00 57.85 54.96 2qbg n ARG 117 Cb 0.65 -1.14 -0.07 0.00 -1.02 0.00 0.00 32.46 30.88 2qbg n ARG 117 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2qbg s LEU 118 N -0.81 5.76 -1.50 0.55 0.20 -1.23 -0.07 118.68 121.57 2qbg s LEU 118 Ca 0.11 -2.87 -0.12 0.00 0.69 0.00 0.00 54.13 51.94 2qbg s LEU 118 Cb 0.06 -1.98 -0.02 0.00 -0.43 0.00 0.00 46.19 43.83 2qbg s LEU 118 CO 0.09 -0.42 2.53 -0.38 -0.29 0.00 0.00 176.35 177.87 2qbg n ILE 119 N 3.55 3.76 -1.83 6.68 2.08 -0.48 -4.95 119.36 128.17 2qbg n ILE 119 Ca 0.11 -2.76 -0.42 0.00 0.56 0.00 0.00 62.75 60.24 2qbg n ILE 119 Cb 0.41 -2.60 -0.02 0.00 -0.75 0.00 0.00 39.64 36.68 2qbg n ILE 119 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 2qbg s VAL 120 N 2.82 2.25 0.00 1.39 0.11 -0.95 -4.35 120.40 121.67 2qbg s VAL 120 Ca 0.57 0.20 0.00 0.00 -2.93 0.00 0.00 61.98 59.81 2qbg s VAL 120 Cb 0.16 -3.13 0.00 0.00 -1.53 0.00 0.00 36.38 31.88 2qbg s VAL 120 CO -0.07 0.02 0.00 1.33 -3.33 0.00 0.00 175.10 173.05 2qbg n VAL 121 N 3.04 0.00 -3.70 2.04 0.24 -0.77 -3.51 118.33 115.68 2qbg n VAL 121 Ca 0.11 0.00 -0.22 0.00 -2.04 0.00 0.00 64.34 62.19 2qbg n VAL 121 Cb 0.37 0.00 -0.18 0.00 -1.47 0.00 0.00 33.84 32.57 2qbg n VAL 121 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 2qbg s GLU 122 N 0.95 0.20 -0.14 7.34 4.04 -1.26 -0.01 118.70 129.82 2qbg s GLU 122 Ca 0.00 0.21 -0.08 0.00 0.04 0.00 0.00 54.97 55.14 2qbg s GLU 122 Cb 0.00 -0.85 0.03 0.00 0.02 0.00 0.00 34.13 33.32 2qbg s GLU 122 CO 0.00 -0.36 0.15 1.63 -1.84 0.00 0.00 175.26 174.84 2qbg n LYS 123 N 5.23 -3.07 -4.51 -4.83 4.76 -1.26 -4.96 118.16 109.53 2qbg n LYS 123 Ca -0.05 2.48 -0.31 0.00 -2.87 0.00 0.00 58.31 57.56 2qbg n LYS 123 Cb 0.50 -3.82 -0.17 0.00 -1.84 0.00 0.00 35.03 29.71 2qbg n LYS 123 CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 2qbg s PHE 124 N -0.54 2.42 0.10 2.13 2.19 -1.26 -5.11 117.98 117.91 2qbg s PHE 124 Ca -0.18 -1.23 -0.26 0.00 0.33 0.00 0.00 56.93 55.59 2qbg s PHE 124 Cb 0.01 -1.68 0.09 0.00 -1.31 0.00 0.00 43.02 40.12 2qbg s PHE 124 CO 0.55 -0.59 1.10 0.45 1.83 0.00 0.00 175.22 178.56 2qbg s SER 125 N 0.96 -0.07 0.16 6.13 0.15 -1.26 -4.99 113.70 114.78 2qbg s SER 125 Ca -0.05 -0.40 0.07 0.00 0.70 0.00 0.00 55.95 56.27 2qbg s SER 125 Cb -0.15 0.37 -0.04 0.00 -1.71 0.00 0.00 66.02 64.49 2qbg s SER 125 CO -0.03 -0.71 -0.14 0.54 1.20 0.00 0.00 173.24 174.09 2qbg s VAL 126 N -2.59 1.51 -0.00 4.45 0.11 -1.26 -5.07 120.40 117.55 2qbg s VAL 126 Ca 0.17 -1.94 -0.01 0.00 -2.93 0.00 0.00 61.98 57.27 2qbg s VAL 126 Cb -0.00 -1.78 -0.01 0.00 -1.53 0.00 0.00 36.38 33.07 2qbg s VAL 126 CO 0.01 -0.50 0.55 -0.33 -3.33 0.00 0.00 175.10 171.51 2qbg h GLU 127 N 3.09 -0.04 -6.52 1.54 4.39 -1.98 -3.44 114.58 111.63 2qbg h GLU 127 Ca -0.39 0.00 -0.64 0.00 0.34 0.00 0.00 59.36 58.67 2qbg h GLU 127 Cb 1.20 0.01 -0.17 0.00 -0.10 0.00 0.00 28.75 29.70 2qbg h GLU 127 CO 0.56 -0.02 -0.78 0.00 -1.16 0.00 0.00 179.01 177.60 2qbg s ALA 128 N -3.07 2.70 -0.94 3.43 0.00 -1.26 -4.98 121.76 117.64 2qbg s ALA 128 Ca -0.01 -1.60 -0.25 0.00 0.00 0.00 0.00 51.96 50.10 2qbg s ALA 128 Cb 0.00 -0.47 -0.20 0.00 0.00 0.00 0.00 23.12 22.45 2qbg s ALA 128 CO 0.02 0.43 2.19 -2.30 0.00 0.00 0.00 175.76 176.10 2qbg n PRO 129 N 0.10 0.26 -3.50 0.00 -0.02 -1.26 -4.82 135.00 125.76 2qbg n PRO 129 Ca -0.11 -1.30 -0.20 0.00 -2.02 0.00 0.00 63.50 59.87 2qbg n PRO 129 Cb 0.56 -3.69 -0.13 0.00 -0.02 0.00 0.00 33.50 30.22 2qbg n PRO 129 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2qbg s LYS 130 N 8.55 0.19 0.57 -0.52 -0.14 -1.26 -4.92 119.74 122.21 2qbg s LYS 130 Ca 0.84 0.03 0.29 0.00 -1.36 0.00 0.00 55.97 55.77 2qbg s LYS 130 Cb -0.10 -1.22 1.47 0.00 -1.68 0.00 0.00 37.83 36.31 2qbg s LYS 130 CO 0.15 -0.75 1.92 1.79 -0.76 0.00 0.00 175.35 177.70 2qbg h THR 131 N 6.33 0.48 -0.18 2.17 1.35 -1.88 0.31 112.91 121.50 2qbg h THR 131 Ca -0.17 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.69 2qbg h THR 131 Cb 1.13 0.64 -0.01 0.00 -1.73 0.00 0.00 68.15 68.17 2qbg h THR 131 CO 0.31 0.00 0.09 0.50 -0.25 0.00 0.00 175.52 176.17 2qbg h LYS 132 N 0.00 0.25 0.13 4.72 3.64 -1.96 0.79 116.57 124.14 2qbg h LYS 132 Ca 0.26 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.60 2qbg h LYS 132 Cb 1.22 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.99 2qbg h LYS 132 CO -0.00 0.26 -0.10 -0.07 -2.27 0.00 0.00 179.45 177.27 2qbg h LEU 133 N 0.18 -0.26 -0.88 5.20 3.38 -0.74 0.20 115.31 122.39 2qbg h LEU 133 Ca 0.06 0.02 0.15 0.00 0.09 0.00 0.00 57.88 58.20 2qbg h LEU 133 Cb 0.08 0.08 -0.15 0.00 0.09 0.00 0.00 40.66 40.76 2qbg h LEU 133 CO -0.01 -0.14 -0.32 0.25 0.09 0.00 0.00 178.44 178.31 2qbg h LEU 134 N -0.22 -1.18 -0.80 1.67 5.85 -1.40 1.25 115.31 120.48 2qbg h LEU 134 Ca -0.02 0.28 0.19 0.00 0.84 0.00 0.00 57.88 59.18 2qbg h LEU 134 Cb 0.18 0.65 -0.13 0.00 0.37 0.00 0.00 40.66 41.74 2qbg h LEU 134 CO 0.00 -0.30 0.19 0.00 -0.34 0.00 0.00 178.44 178.00 2qbg h ALA 135 N 1.47 1.08 0.62 1.25 0.00 0.92 0.63 119.26 125.23 2qbg h ALA 135 Ca 0.35 0.20 -0.03 0.00 0.00 0.00 0.00 54.91 55.43 2qbg h ALA 135 Cb 0.61 0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.69 2qbg h ALA 135 CO -0.90 -0.39 -0.30 0.37 0.00 0.00 0.00 179.25 178.03 2qbg h GLN 136 N 0.23 -0.80 -0.95 0.00 5.75 0.35 0.12 115.11 119.81 2qbg h GLN 136 Ca 0.47 0.05 0.20 0.00 -0.15 0.00 0.00 58.65 59.23 2qbg h GLN 136 Cb 0.88 0.18 -0.18 0.00 1.07 0.00 0.00 27.48 29.43 2qbg h GLN 136 CO -0.59 -0.49 -0.21 -0.22 -2.65 0.00 0.00 178.83 174.68 2qbg h LYS 137 N -1.05 0.00 0.59 1.69 1.63 0.16 0.13 116.57 119.73 2qbg h LYS 137 Ca -0.09 -0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.69 2qbg h LYS 137 Cb 0.69 -0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.32 2qbg h LYS 137 CO 0.14 0.00 -0.28 -0.07 -3.45 0.00 0.00 179.45 175.79 2qbg h LEU 138 N 0.00 -0.67 -0.83 5.20 3.38 0.35 -2.29 115.31 120.45 2qbg h LEU 138 Ca 0.47 0.02 0.28 0.00 0.09 0.00 0.00 57.88 58.74 2qbg h LEU 138 Cb 0.74 0.17 -0.15 0.00 0.09 0.00 0.00 40.66 41.51 2qbg h LEU 138 CO -0.96 -0.48 0.22 1.17 0.09 0.00 0.00 178.44 178.48 2qbg n LYS 139 N -4.16 -0.06 0.30 1.13 4.81 0.39 0.37 118.16 120.94 2qbg n LYS 139 Ca -0.10 1.19 -0.12 0.00 -0.87 0.00 0.00 58.31 58.41 2qbg n LYS 139 Cb 0.31 -2.01 -0.06 0.00 0.02 0.00 0.00 35.03 33.30 2qbg n LYS 139 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 2qbg h ASP 140 N 0.00 -0.66 0.00 3.14 3.45 -0.65 -2.47 116.42 119.23 2qbg h ASP 140 Ca 0.60 0.02 0.00 0.00 0.43 0.00 0.00 57.03 58.08 2qbg h ASP 140 Cb 1.43 0.17 0.00 0.00 -0.56 0.00 0.00 39.33 40.37 2qbg h ASP 140 CO -0.71 -0.40 0.00 0.23 -1.57 0.00 0.00 179.24 176.79 2qbg n MET 141 N -4.46 0.42 -3.95 3.56 2.81 0.40 -4.82 117.12 111.08 2qbg n MET 141 Ca -0.10 0.00 -0.40 0.00 -1.81 0.00 0.00 57.70 55.40 2qbg n MET 141 Cb 0.31 -1.04 0.02 0.00 -0.71 0.00 0.00 33.22 31.80 2qbg n MET 141 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2qbg n ALA 142 N -0.54 -2.52 -3.17 3.04 0.00 0.16 -4.96 120.51 112.51 2qbg n ALA 142 Ca 0.01 -0.44 -0.22 0.00 0.00 0.00 0.00 53.44 52.79 2qbg n ALA 142 Cb 0.00 -2.97 -0.16 0.00 0.00 0.00 0.00 19.45 16.32 2qbg n ALA 142 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2qbg s LEU 143 N -7.10 1.72 -0.02 0.00 1.43 -0.87 -4.99 118.68 108.84 2qbg s LEU 143 Ca 0.43 -0.21 -0.08 0.00 -1.03 0.00 0.00 54.13 53.24 2qbg s LEU 143 Cb -0.21 -0.63 0.01 0.00 0.03 0.00 0.00 46.19 45.40 2qbg s LEU 143 CO 0.93 0.05 0.17 -1.83 0.23 0.00 0.00 176.35 175.91 2qbg s GLU 144 N 0.35 0.44 -0.97 1.70 -1.05 -1.26 -4.41 118.70 113.50 2qbg s GLU 144 Ca -0.06 -0.21 -0.06 0.00 -0.15 0.00 0.00 54.97 54.48 2qbg s GLU 144 Cb -0.11 0.19 -0.04 0.00 -0.44 0.00 0.00 34.13 33.73 2qbg s GLU 144 CO 0.01 -0.10 0.84 -3.47 0.95 0.00 0.00 175.26 173.49 2qbg n ASP 145 N 1.81 -6.78 -4.62 0.83 2.03 -0.48 -4.55 116.55 104.79 2qbg n ASP 145 Ca -0.20 -0.58 -0.25 0.00 0.52 0.00 0.00 54.79 54.27 2qbg n ASP 145 Cb 0.56 -4.97 -0.09 0.00 -0.72 0.00 0.00 41.12 35.90 2qbg n ASP 145 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2qbg s VAL 146 N -3.29 2.48 -0.13 5.18 1.01 -1.19 0.05 120.40 124.52 2qbg s VAL 146 Ca 0.33 -2.01 0.16 0.00 0.00 0.00 0.00 61.98 60.47 2qbg s VAL 146 Cb -0.06 -2.79 -0.24 0.00 0.00 0.00 0.00 36.38 33.29 2qbg s VAL 146 CO 0.76 -0.17 0.33 -0.11 0.00 0.00 0.00 175.10 175.91 2qbg n LEU 147 N -0.94 0.36 -4.17 3.92 -0.00 -0.05 -3.29 117.00 112.83 2qbg n LEU 147 Ca -0.04 0.17 -0.36 0.00 -0.00 0.00 0.00 56.01 55.78 2qbg n LEU 147 Cb 0.63 0.35 -0.04 0.00 -0.00 0.00 0.00 43.42 44.36 2qbg n LEU 147 CO 0.44 0.43 -0.06 -0.38 -0.00 0.00 0.00 177.39 177.82 2qbg n ILE 148 N -2.86 -0.69 -1.62 1.96 2.08 -1.26 -3.98 119.36 113.00 2qbg n ILE 148 Ca -0.25 0.00 -0.37 0.00 0.56 0.00 0.00 62.75 62.69 2qbg n ILE 148 Cb 1.10 -1.30 -0.03 0.00 -0.75 0.00 0.00 39.64 38.66 2qbg n ILE 148 CO 0.00 0.00 0.00 -0.51 0.56 0.00 0.00 176.55 176.60 2qbg s ILE 149 N -3.19 3.05 0.70 1.39 2.07 -1.26 -3.99 121.20 119.97 2qbg s ILE 149 Ca 0.72 0.03 -0.10 0.00 -1.41 0.00 0.00 60.65 59.88 2qbg s ILE 149 Cb -0.40 -3.12 0.03 0.00 0.13 0.00 0.00 42.46 39.10 2qbg s ILE 149 CO 0.88 -0.12 1.07 0.28 -1.91 0.00 0.00 174.94 175.15 2qbg s THR 150 N 11.72 3.19 -0.01 4.00 -1.32 -0.07 -3.35 115.64 129.79 2qbg s THR 150 Ca 0.94 0.27 0.05 0.00 -1.21 0.00 0.00 61.69 61.75 2qbg s THR 150 Cb -0.17 -3.36 -0.24 0.00 -1.51 0.00 0.00 72.50 67.21 2qbg s THR 150 CO 0.26 -0.46 0.78 1.23 -2.21 0.00 0.00 174.62 174.22 2qbg h GLY 151 N -0.64 0.11 0.00 6.08 0.00 -1.87 -2.93 103.07 103.82 2qbg h GLY 151 Ca -0.45 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 46.59 2qbg h GLY 151 CO 0.63 0.25 -0.95 -2.21 0.00 0.00 0.00 176.54 174.27 2qbg n GLU 152 N -3.26 0.00 -0.95 4.80 4.07 -1.26 -4.42 120.64 119.62 2qbg n GLU 152 Ca -0.16 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.94 2qbg n GLU 152 Cb 1.03 -0.80 0.00 0.00 -0.06 0.00 0.00 31.44 31.61 2qbg n GLU 152 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 2qbg n LEU 153 N -2.63 -1.34 -3.83 4.31 0.00 -1.26 -4.94 117.00 107.31 2qbg n LEU 153 Ca 0.00 1.77 -0.16 0.00 0.00 0.00 0.00 56.01 57.62 2qbg n LEU 153 Cb 0.47 -1.45 -0.16 0.00 0.00 0.00 0.00 43.42 42.29 2qbg n LEU 153 CO 0.00 -0.14 -0.37 1.51 0.00 0.00 0.00 177.39 178.39 2qbg s ASP 154 N -3.71 0.36 0.27 1.96 1.47 -1.26 -5.01 116.67 110.74 2qbg s ASP 154 Ca 0.00 -0.02 0.12 0.00 1.18 0.00 0.00 52.55 53.83 2qbg s ASP 154 Cb 0.00 -0.18 0.65 0.00 -0.34 0.00 0.00 42.92 43.06 2qbg s ASP 154 CO 0.00 -0.08 1.27 -0.62 0.68 0.00 0.00 175.17 176.42 2qbg n GLU 155 N 3.98 0.08 0.14 2.11 -0.58 -1.26 -0.08 120.64 125.02 2qbg n GLU 155 Ca -0.25 0.54 -0.10 0.00 -0.42 0.00 0.00 57.16 56.92 2qbg n GLU 155 Cb 0.51 -2.00 -0.06 0.00 -0.57 0.00 0.00 31.44 29.33 2qbg n GLU 155 CO 0.00 0.00 0.00 -0.97 -0.48 0.00 0.00 177.13 175.68 2qbg h ASN 156 N 0.00 -0.35 0.79 1.62 -1.24 -1.96 0.53 115.58 114.97 2qbg h ASN 156 Ca 0.00 -0.15 -0.04 0.00 0.71 0.00 0.00 56.30 56.82 2qbg h ASN 156 Cb 0.46 0.09 -0.01 0.00 0.73 0.00 0.00 38.32 39.60 2qbg h ASN 156 CO 0.00 0.12 -0.19 0.25 -1.29 0.00 0.00 177.43 176.32 2qbg h LEU 157 N -0.99 0.00 -0.19 0.34 5.85 -1.41 -2.42 115.31 116.49 2qbg h LEU 157 Ca -0.04 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.52 2qbg h LEU 157 Cb 0.48 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.52 2qbg h LEU 157 CO 0.07 0.19 -0.50 0.15 -0.34 0.00 0.00 178.44 178.00 2qbg h PHE 158 N 0.00 0.88 -0.20 1.25 -0.00 -0.42 -2.38 116.94 116.07 2qbg h PHE 158 Ca -0.00 -0.34 0.06 0.00 -0.00 0.00 0.00 57.97 57.69 2qbg h PHE 158 Cb 0.63 -0.15 -0.01 0.00 -0.00 0.00 0.00 35.95 36.42 2qbg h PHE 158 CO 0.00 1.13 0.15 -0.07 -0.00 0.00 0.00 178.31 179.52 2qbg h LEU 159 N 0.37 0.00-10.30 0.59 4.07 0.56 -3.25 115.31 107.36 2qbg h LEU 159 Ca -0.01 0.00 -0.50 0.00 0.08 0.00 0.00 57.88 57.45 2qbg h LEU 159 Cb 1.12 0.00 0.05 0.00 1.08 0.00 0.00 40.66 42.91 2qbg h LEU 159 CO 0.11 0.00 0.40 0.00 -1.08 0.00 0.00 178.44 177.87 2qbg s ALA 160 N -4.98 3.02 0.00 1.53 0.00 -0.90 -3.08 121.76 117.35 2qbg s ALA 160 Ca -0.05 0.04 0.00 0.00 0.00 0.00 0.00 51.96 51.95 2qbg s ALA 160 Cb 0.18 -3.11 0.00 0.00 0.00 0.00 0.00 23.12 20.18 2qbg s ALA 160 CO 0.67 -0.63 0.00 0.00 0.00 0.00 0.00 175.76 175.80 2qbg n ALA 161 N -2.41 0.00 0.54 0.00 0.00 -1.26 -4.68 120.51 112.70 2qbg n ALA 161 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2qbg n ALA 161 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 2qbg n ALA 161 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2qbg n ARG 162 N -1.22 0.54 0.00 0.00 0.00 -1.18 -0.47 116.66 114.33 2qbg n ARG 162 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2qbg n ARG 162 Cb 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 32.46 31.23 2qbg n ARG 162 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 2qbg n ASN 163 N 0.67 0.00 -4.44 6.15 2.85 -1.26 -5.07 115.26 114.16 2qbg n ASN 163 Ca 0.00 -0.95 -0.42 0.00 -0.11 0.00 0.00 54.58 53.10 2qbg n ASN 163 Cb 0.26 0.00 -0.11 0.00 1.24 0.00 0.00 39.78 41.17 2qbg n ASN 163 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 2qbg s LEU 164 N 0.00 4.85 0.59 1.20 1.43 0.37 -4.96 118.68 122.16 2qbg s LEU 164 Ca 0.00 -0.85 0.29 0.00 -1.03 0.00 0.00 54.13 52.54 2qbg s LEU 164 Cb 0.00 -2.10 1.37 0.00 0.03 0.00 0.00 46.19 45.48 2qbg s LEU 164 CO 0.00 -0.39 1.75 -0.74 0.23 0.00 0.00 176.35 177.20 2qbg h HIS 165 N 8.53 0.00 -2.23 0.29 -0.00 -1.98 -3.14 115.15 116.62 2qbg h HIS 165 Ca -0.27 0.00 -0.61 0.00 -0.00 0.00 0.00 60.37 59.49 2qbg h HIS 165 Cb 1.12 0.00 -0.41 0.00 -0.00 0.00 0.00 27.41 28.12 2qbg h HIS 165 CO 0.58 0.00 -0.51 1.63 -0.00 0.00 0.00 177.93 179.62 2qbg n LYS 166 N -3.64 2.69 0.00 5.26 5.02 -1.26 -5.01 118.16 121.22 2qbg n LYS 166 Ca 0.14 -4.68 0.00 0.00 -2.02 0.00 0.00 58.31 51.74 2qbg n LYS 166 Cb 0.93 -2.27 0.00 0.00 -0.02 0.00 0.00 35.03 33.66 2qbg n LYS 166 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 2qbg n VAL 167 N 0.80 0.00 -3.48 -0.18 3.14 -1.19 -1.38 118.33 116.04 2qbg n VAL 167 Ca 0.30 0.00 -0.12 0.00 -2.96 0.00 0.00 64.34 61.56 2qbg n VAL 167 Cb 0.40 0.00 -0.10 0.00 -1.06 0.00 0.00 33.84 33.08 2qbg n VAL 167 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2qbg s ASP 168 N 0.00 0.44 -0.91 6.55 3.68 -1.21 -4.72 116.67 120.51 2qbg s ASP 168 Ca 0.00 0.30 -0.24 0.00 2.13 0.00 0.00 52.55 54.74 2qbg s ASP 168 Cb 0.00 0.91 0.03 0.00 -1.45 0.00 0.00 42.92 42.41 2qbg s ASP 168 CO 0.00 -0.29 1.47 0.68 0.13 0.00 0.00 175.17 177.16 2qbg s VAL 169 N 2.48 3.79 0.40 1.11 -7.23 -1.26 -4.33 120.40 115.37 2qbg s VAL 169 Ca 0.07 -0.35 0.03 0.00 -1.81 0.00 0.00 61.98 59.92 2qbg s VAL 169 Cb -0.14 -4.87 -0.01 0.00 0.56 0.00 0.00 36.38 31.92 2qbg s VAL 169 CO -0.13 -1.78 0.58 -0.13 -0.31 0.00 0.00 175.10 173.34 2qbg s ARG 170 N 5.48 3.10 0.03 4.82 0.52 -1.26 -4.90 118.95 126.75 2qbg s ARG 170 Ca 0.46 -0.69 -0.00 0.00 -0.52 0.00 0.00 55.73 54.98 2qbg s ARG 170 Cb -0.03 -2.67 0.01 0.00 0.52 0.00 0.00 34.95 32.77 2qbg s ARG 170 CO -0.01 -0.12 0.03 -3.47 0.02 0.00 0.00 175.30 171.76 2qbg n ASP 171 N -1.89 -0.21 -0.05 0.23 2.03 -1.26 -0.89 116.55 114.50 2qbg n ASP 171 Ca 0.00 -0.91 -0.01 0.00 0.52 0.00 0.00 54.79 54.39 2qbg n ASP 171 Cb 0.58 -0.03 -0.00 0.00 -0.72 0.00 0.00 41.12 40.95 2qbg n ASP 171 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2qbg h ALA 172 N -2.00 0.00 0.00 -1.67 0.00 -1.73 -3.35 119.26 110.52 2qbg h ALA 172 Ca -0.01 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 2qbg h ALA 172 Cb 0.03 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 2qbg h ALA 172 CO 0.01 0.10 -0.14 1.79 0.00 0.00 0.00 179.25 181.01 2qbg h THR 173 N -0.93 0.63 0.00 0.00 1.35 -1.92 -1.83 112.91 110.21 2qbg h THR 173 Ca 0.00 -0.62 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 2qbg h THR 173 Cb 0.10 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 67.92 2qbg h THR 173 CO 0.00 0.14 0.00 0.61 -0.25 0.00 0.00 175.52 176.02 2qbg n GLY 174 N -0.62 0.97 3.55 5.82 0.00 -1.25 -4.86 105.19 108.79 2qbg n GLY 174 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 2qbg n GLY 174 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2qbg n ILE 175 N 0.03 0.00 -3.73 -0.61 3.06 -0.69 -4.58 119.36 112.84 2qbg n ILE 175 Ca 0.00 -0.27 -0.12 0.00 -2.50 0.00 0.00 62.75 59.85 2qbg n ILE 175 Cb 0.18 -0.99 -0.13 0.00 0.54 0.00 0.00 39.64 39.24 2qbg n ILE 175 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 2qbg s ASP 176 N -2.49 -0.25 0.06 9.51 -1.08 -1.26 -5.07 116.67 116.09 2qbg s ASP 176 Ca 0.68 0.50 -0.36 0.00 -0.52 0.00 0.00 52.55 52.86 2qbg s ASP 176 Cb -0.24 0.40 -0.19 0.00 -1.46 0.00 0.00 42.92 41.42 2qbg s ASP 176 CO 0.62 -0.16 1.54 -0.65 0.52 0.00 0.00 175.17 177.05 2qbg h PRO 177 N 7.07 -1.17 -0.17 4.34 0.11 -1.99 -1.73 132.00 138.47 2qbg h PRO 177 Ca -0.40 0.08 -0.00 0.00 0.11 0.00 0.00 66.00 65.79 2qbg h PRO 177 Cb 1.16 0.26 -0.01 0.00 0.11 0.00 0.00 31.00 32.52 2qbg h PRO 177 CO 0.38 -0.78 0.11 -0.24 -0.21 0.00 0.00 178.00 177.26 2qbg h VAL 178 N -1.21 1.05 -0.20 3.15 3.04 -1.95 -2.59 116.25 117.54 2qbg h VAL 178 Ca -0.11 -0.11 -0.03 0.00 -1.01 0.00 0.00 66.70 65.44 2qbg h VAL 178 Cb 0.95 0.81 -0.01 0.00 -2.01 0.00 0.00 31.29 31.03 2qbg h VAL 178 CO 0.14 0.05 0.02 0.28 -1.01 0.00 0.00 177.57 177.05 2qbg h SER 179 N 0.23 0.34 -0.80 3.17 0.02 -1.87 0.13 113.55 114.77 2qbg h SER 179 Ca 0.06 -0.29 0.18 0.00 -0.84 0.00 0.00 61.79 60.90 2qbg h SER 179 Cb -0.01 -0.09 -0.05 0.00 0.14 0.00 0.00 62.40 62.38 2qbg h SER 179 CO -0.01 0.54 0.54 -0.07 -1.14 0.00 0.00 176.83 176.68 2qbg h LEU 180 N 0.12 0.34 0.00 5.07 3.38 -0.91 0.33 115.31 123.65 2qbg h LEU 180 Ca 0.06 0.03 -0.21 0.00 0.09 0.00 0.00 57.88 57.85 2qbg h LEU 180 Cb 0.36 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 2qbg h LEU 180 CO 0.01 0.16 -1.14 0.40 0.09 0.00 0.00 178.44 177.96 2qbg h ILE 181 N 0.35 1.25 -4.02 1.22 2.04 -1.40 -3.46 117.51 113.49 2qbg h ILE 181 Ca 0.40 -2.92 -0.45 0.00 1.00 0.00 0.00 64.86 62.89 2qbg h ILE 181 Cb 1.03 2.60 0.15 0.00 -0.74 0.00 0.00 36.82 39.86 2qbg h ILE 181 CO -0.12 0.71 0.27 0.00 0.00 0.00 0.00 178.15 179.01 2qbg s ALA 182 N -2.74 1.49 0.16 1.87 0.00 0.12 -4.89 121.76 117.77 2qbg s ALA 182 Ca -0.00 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.28 2qbg s ALA 182 Cb 0.09 -2.98 0.00 0.00 0.00 0.00 0.00 23.12 20.23 2qbg s ALA 182 CO 0.81 -2.64 0.00 1.19 0.00 0.00 0.00 175.76 175.12 2qbg n PHE 183 N -4.02 -2.73 -0.11 0.00 3.01 -1.26 -4.69 117.46 107.65 2qbg n PHE 183 Ca 0.09 0.89 -0.17 0.00 1.01 0.00 0.00 57.45 59.27 2qbg n PHE 183 Cb 0.59 -1.61 -0.13 0.00 -0.01 0.00 0.00 39.48 38.33 2qbg n PHE 183 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 2qbg n ASP 184 N -2.69 1.66 -3.94 4.37 8.00 0.11 -5.02 116.55 119.04 2qbg n ASP 184 Ca 0.00 -0.07 -0.09 0.00 0.71 0.00 0.00 54.79 55.34 2qbg n ASP 184 Cb 0.32 -0.23 -0.08 0.00 -0.02 0.00 0.00 41.12 41.12 2qbg n ASP 184 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2qbg s LYS 185 N -2.52 0.91 -0.19 -1.24 1.02 -0.95 -4.86 119.74 111.91 2qbg s LYS 185 Ca -0.29 -1.09 -0.01 0.00 0.02 0.00 0.00 55.97 54.60 2qbg s LYS 185 Cb 0.08 0.33 0.05 0.00 -0.52 0.00 0.00 37.83 37.77 2qbg s LYS 185 CO 0.66 -0.29 -0.03 0.54 -0.92 0.00 0.00 175.35 175.30 2qbg s VAL 186 N -3.92 1.08 0.00 3.17 0.11 0.89 -0.87 120.40 120.87 2qbg s VAL 186 Ca 0.10 -0.74 0.00 0.00 -2.93 0.00 0.00 61.98 58.41 2qbg s VAL 186 Cb 0.05 -1.34 0.00 0.00 -1.53 0.00 0.00 36.38 33.56 2qbg s VAL 186 CO -0.07 0.01 0.50 0.52 -3.33 0.00 0.00 175.10 172.73 2qbg n VAL 187 N 4.86 0.00 -1.23 2.04 0.31 -1.26 -1.38 118.33 121.67 2qbg n VAL 187 Ca -0.11 1.00 0.00 0.00 -0.01 0.00 0.00 64.34 65.22 2qbg n VAL 187 Cb 0.47 -1.92 0.00 0.00 -0.91 0.00 0.00 33.84 31.48 2qbg n VAL 187 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 2qbg n MET 188 N -0.58 -3.12 -3.01 5.55 0.00 -1.21 -2.24 117.12 112.50 2qbg n MET 188 Ca 0.00 2.33 -0.20 0.00 0.00 0.00 0.00 57.70 59.83 2qbg n MET 188 Cb 0.00 -2.43 0.07 0.00 0.00 0.00 0.00 33.22 30.86 2qbg n MET 188 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 2qbg n THR 189 N 0.57 0.00 0.43 1.12 -2.24 -1.22 -1.84 114.28 111.11 2qbg n THR 189 Ca 0.00 -1.97 -0.17 0.00 -2.27 0.00 0.00 64.05 59.64 2qbg n THR 189 Cb 0.00 -0.52 -0.08 0.00 -2.10 0.00 0.00 70.33 67.63 2qbg n THR 189 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qbg h ALA 190 N 0.07 -1.20 -0.88 6.98 0.00 -0.81 0.88 119.26 124.30 2qbg h ALA 190 Ca -0.28 -0.24 0.25 0.00 0.00 0.00 0.00 54.91 54.63 2qbg h ALA 190 Cb 1.28 0.43 -0.04 0.00 0.00 0.00 0.00 17.79 19.46 2qbg h ALA 190 CO 0.40 -1.12 0.62 0.22 0.00 0.00 0.00 179.25 179.37 2qbg h ASP 191 N -1.20 0.06 0.43 0.00 1.82 -1.97 0.54 116.42 116.10 2qbg h ASP 191 Ca -0.11 0.01 -0.02 0.00 -0.39 0.00 0.00 57.03 56.51 2qbg h ASP 191 Cb 0.85 -0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.86 2qbg h ASP 191 CO 0.19 0.02 -0.21 0.00 -1.61 0.00 0.00 179.24 177.63 2qbg h ALA 192 N 1.57 -0.58 -1.03 -0.78 0.00 -1.78 -2.92 119.26 113.74 2qbg h ALA 192 Ca 0.42 -0.13 0.28 0.00 0.00 0.00 0.00 54.91 55.48 2qbg h ALA 192 Cb 1.59 0.22 -0.12 0.00 0.00 0.00 0.00 17.79 19.49 2qbg h ALA 192 CO -0.03 -0.54 0.63 0.28 0.00 0.00 0.00 179.25 179.58 2qbg h VAL 193 N -1.15 0.46 -0.48 0.00 2.07 0.22 0.41 116.25 117.79 2qbg h VAL 193 Ca -0.06 -0.15 0.04 0.00 0.82 0.00 0.00 66.70 67.34 2qbg h VAL 193 Cb 0.45 -0.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.16 2qbg h VAL 193 CO 0.10 0.08 0.25 0.50 0.02 0.00 0.00 177.57 178.52 2qbg h LYS 194 N 0.45 0.48 0.24 1.57 3.64 -0.93 0.11 116.57 122.13 2qbg h LYS 194 Ca 0.66 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 60.00 2qbg h LYS 194 Cb 1.48 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.19 2qbg h LYS 194 CO -0.44 0.32 -0.11 1.96 -2.27 0.00 0.00 179.45 178.90 2qbg h GLN 195 N 0.49 -0.31 -0.25 1.90 4.20 -0.13 -2.26 115.11 118.75 2qbg h GLN 195 Ca 0.20 0.02 0.07 0.00 0.06 0.00 0.00 58.65 59.01 2qbg h GLN 195 Cb 0.09 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 2qbg h GLN 195 CO -0.13 0.06 0.54 0.28 -0.67 0.00 0.00 178.83 178.90 2qbg h VAL 196 N -0.86 0.14 0.17 -0.54 2.07 -0.73 0.97 116.25 117.47 2qbg h VAL 196 Ca -0.03 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 2qbg h VAL 196 Cb 0.51 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 2qbg h VAL 196 CO 0.05 0.00 -0.08 -0.08 0.02 0.00 0.00 177.57 177.48 2qbg h GLU 197 N 0.00 -0.22 0.24 1.57 4.57 -0.48 -2.95 114.58 117.31 2qbg h GLU 197 Ca 0.12 0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.30 2qbg h GLU 197 Cb 1.19 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.84 2qbg h GLU 197 CO -0.00 0.17 -0.12 0.93 -1.18 0.00 0.00 179.01 178.82 2qbg h GLU 198 N -0.92 -0.31 -0.75 1.92 4.39 0.02 -3.23 114.58 115.69 2qbg h GLU 198 Ca -0.02 0.02 0.07 0.00 0.34 0.00 0.00 59.36 59.77 2qbg h GLU 198 Cb 0.49 0.07 -0.09 0.00 -0.10 0.00 0.00 28.75 29.12 2qbg h GLU 198 CO 0.04 -0.00 -0.44 -0.12 -1.16 0.00 0.00 179.01 177.32 2qbg n MET 199 N -5.10 -0.33 -1.34 2.33 1.56 0.30 -4.35 117.12 110.20 2qbg n MET 199 Ca -0.09 1.19 -0.32 0.00 -0.27 0.00 0.00 57.70 58.21 2qbg n MET 199 Cb 0.24 -1.75 0.09 0.00 2.15 0.00 0.00 33.22 33.95 2qbg n MET 199 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 2qbg s LEU 200 N -9.71 3.14 0.00 -0.89 2.01 -1.11 -5.08 118.68 107.04 2qbg s LEU 200 Ca -0.09 2.00 0.00 0.00 0.01 0.00 0.00 54.13 56.05 2qbg s LEU 200 Cb 0.08 -4.55 0.00 0.00 0.01 0.00 0.00 46.19 41.74 2qbg s LEU 200 CO 0.47 -2.12 0.00 0.00 1.01 0.00 0.00 176.35 175.71