#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kqb s VAL 17 N 0.00 5.23 0.00 1.39 1.01 0.20 -4.06 120.40 124.18 3kqb s VAL 17 Ca 0.00 0.55 0.00 0.00 0.00 0.00 0.00 61.98 62.53 3kqb s VAL 17 Cb 0.00 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.71 3kqb s VAL 17 CO 0.00 0.25 0.00 0.61 0.00 0.00 0.00 175.10 175.96 3kqb n GLY 18 N 4.20 0.11 7.00 4.51 0.00 -1.26 -1.83 105.19 117.92 3kqb n GLY 18 Ca -0.10 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 44.97 3kqb n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kqb n GLY 19 N 0.00 -0.48 3.08 -0.02 0.00 -1.26 -4.90 105.19 101.60 3kqb n GLY 19 Ca 0.00 -1.09 -0.07 0.00 0.00 0.00 0.00 46.02 44.85 3kqb n GLY 19 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kqb s GLN 20 N 0.00 0.57 0.45 1.61 1.11 -0.19 -4.99 119.66 118.22 3kqb s GLN 20 Ca 0.00 -1.10 -0.24 0.00 0.01 0.00 0.00 55.36 54.04 3kqb s GLN 20 Cb 0.00 0.20 -0.07 0.00 -1.01 0.00 0.00 33.01 32.12 3kqb s GLN 20 CO 0.00 -0.11 1.23 -2.00 0.01 0.00 0.00 175.29 174.42 3kqb s GLU 21 N -3.47 3.75 -0.28 2.91 2.12 -1.26 0.71 118.70 123.18 3kqb s GLU 21 Ca 0.03 1.94 -0.29 0.00 0.36 0.00 0.00 54.97 57.01 3kqb s GLU 21 Cb 0.05 -2.50 0.01 0.00 0.26 0.00 0.00 34.13 31.95 3kqb s GLU 21 CO -0.08 -0.61 1.10 0.00 -0.54 0.00 0.00 175.26 175.13 3kqb s LYS 23 N 3.55 1.69 -0.22 0.00 -0.14 -1.26 -4.89 119.74 118.46 3kqb s LYS 23 Ca 0.47 -0.00 -0.38 0.00 -1.36 0.00 0.00 55.97 54.70 3kqb s LYS 23 Cb -0.14 -1.93 -0.14 0.00 -1.68 0.00 0.00 37.83 33.94 3kqb s LYS 23 CO 0.13 -1.76 1.84 -3.47 -0.76 0.00 0.00 175.35 171.33 3kqb n ASP 24 N -3.41 2.74 0.00 2.83 4.64 -1.26 -1.64 116.55 120.45 3kqb n ASP 24 Ca 0.09 0.98 0.00 0.00 -1.38 0.00 0.00 54.79 54.48 3kqb n ASP 24 Cb 0.61 -1.23 0.00 0.00 -1.04 0.00 0.00 41.12 39.46 3kqb n ASP 24 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3kqb n GLY 25 N 4.52 0.61 0.06 0.27 0.00 -1.26 -4.94 105.19 104.45 3kqb n GLY 25 Ca 0.27 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.22 3kqb n GLY 25 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3kqb h GLU 26 N 1.61 0.00 -1.69 1.61 5.08 -1.66 -3.38 114.58 116.14 3kqb h GLU 26 Ca 0.00 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.86 3kqb h GLU 26 Cb 0.08 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 28.92 3kqb h GLU 26 CO 0.00 0.99 -0.96 0.00 -1.00 0.00 0.00 179.01 178.05 3kqb h PRO 28 N 2.90 0.00 -0.01 0.00 0.13 -1.78 -2.71 132.00 130.52 3kqb h PRO 28 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3kqb h PRO 28 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 3kqb h PRO 28 CO 0.66 0.00 -0.05 -2.67 -0.23 0.00 0.00 178.00 175.71 3kqb n TRP 29 N -2.38 0.00 -2.32 1.56 2.14 -1.10 -1.95 117.44 113.40 3kqb n TRP 29 Ca 0.01 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.16 3kqb n TRP 29 Cb 0.18 -0.04 -0.03 0.00 -0.81 0.00 0.00 31.31 30.61 3kqb n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 3kqb s GLN 30 N -2.12 4.42 0.12 -2.67 2.00 -1.03 -0.40 119.66 119.98 3kqb s GLN 30 Ca 0.36 1.92 0.09 0.00 -2.00 0.00 0.00 55.36 55.73 3kqb s GLN 30 Cb 0.21 -3.26 -0.04 0.00 0.80 0.00 0.00 33.01 30.72 3kqb s GLN 30 CO 0.38 -0.23 -0.22 0.00 -0.50 0.00 0.00 175.29 174.72 3kqb s ALA 31 N 0.48 1.99 -0.11 1.58 0.00 -0.34 -4.39 121.76 120.97 3kqb s ALA 31 Ca 0.57 -1.34 0.02 0.00 0.00 0.00 0.00 51.96 51.21 3kqb s ALA 31 Cb -0.33 -0.27 0.01 0.00 0.00 0.00 0.00 23.12 22.52 3kqb s ALA 31 CO 0.34 0.39 -0.19 -1.17 0.00 0.00 0.00 175.76 175.13 3kqb s LEU 32 N -2.06 1.91 -0.16 0.00 2.96 0.58 -1.22 118.68 120.68 3kqb s LEU 32 Ca 0.10 -0.50 -0.22 0.00 -0.22 0.00 0.00 54.13 53.29 3kqb s LEU 32 Cb -0.09 -1.24 -0.02 0.00 0.50 0.00 0.00 46.19 45.33 3kqb s LEU 32 CO 0.05 0.06 0.69 -0.76 -1.32 0.00 0.00 176.35 175.07 3kqb s LEU 33 N 0.79 4.19 -0.07 -0.68 1.43 0.86 -0.04 118.68 125.15 3kqb s LEU 33 Ca -0.10 0.98 0.05 0.00 -1.03 0.00 0.00 54.13 54.04 3kqb s LEU 33 Cb -0.16 -3.01 -0.00 0.00 0.03 0.00 0.00 46.19 43.05 3kqb s LEU 33 CO 0.01 -0.27 -0.23 0.27 0.23 0.00 0.00 176.35 176.36 3kqb s ILE 34 N 1.72 1.97 0.42 -0.59 -4.36 -0.37 -1.06 121.20 118.93 3kqb s ILE 34 Ca 0.33 -1.00 -0.06 0.00 -0.26 0.00 0.00 60.65 59.66 3kqb s ILE 34 Cb -0.16 -1.68 0.09 0.00 1.25 0.00 0.00 42.46 41.96 3kqb s ILE 34 CO 0.12 0.54 0.57 -0.46 0.24 0.00 0.00 174.94 175.96 3kqb n ASN 35 N 3.22 0.16 -0.32 4.36 0.23 -0.89 -1.03 115.26 121.00 3kqb n ASN 35 Ca -0.18 -1.28 0.14 0.00 -0.53 0.00 0.00 54.58 52.73 3kqb n ASN 35 Cb 0.52 -0.42 0.37 0.00 -2.08 0.00 0.00 39.78 38.17 3kqb n ASN 35 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 3kqb h GLU 36 N 0.00 0.67 0.00 -3.83 9.09 -1.91 -0.25 114.58 118.34 3kqb h GLU 36 Ca -0.19 -0.04 0.00 0.00 0.05 0.00 0.00 59.36 59.18 3kqb h GLU 36 Cb 0.54 -0.15 0.00 0.00 -1.65 0.00 0.00 28.75 27.49 3kqb h GLU 36 CO 0.14 0.44 0.00 0.39 0.05 0.00 0.00 179.01 180.03 3kqb n GLU 37 N -4.65 0.75 -2.42 1.06 1.02 -1.26 -4.89 120.64 110.25 3kqb n GLU 37 Ca 0.21 0.00 -0.19 0.00 -0.02 0.00 0.00 57.16 57.16 3kqb n GLU 37 Cb 0.57 -1.29 -0.00 0.00 -0.02 0.00 0.00 31.44 30.70 3kqb n GLU 37 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3kqb n ASN 38 N -0.79 -5.46 -4.44 1.62 2.85 -0.11 -5.02 115.26 103.92 3kqb n ASN 38 Ca 0.10 -0.04 -0.33 0.00 -0.11 0.00 0.00 54.58 54.20 3kqb n ASN 38 Cb 0.05 -4.49 -0.13 0.00 1.24 0.00 0.00 39.78 36.44 3kqb n ASN 38 CO 0.00 0.00 0.00 -1.83 -2.11 0.00 0.00 177.26 173.32 3kqb s GLU 39 N -5.01 3.39 0.31 1.20 -1.05 -1.26 -4.86 118.70 111.42 3kqb s GLU 39 Ca 0.03 -0.62 -0.29 0.00 -0.15 0.00 0.00 54.97 53.94 3kqb s GLU 39 Cb -0.01 -2.71 -0.11 0.00 -0.44 0.00 0.00 34.13 30.86 3kqb s GLU 39 CO 0.04 0.28 1.53 0.20 0.95 0.00 0.00 175.26 178.26 3kqb s GLY 40 N 0.20 2.38 0.00 -3.83 0.00 -1.26 -2.10 107.32 102.71 3kqb s GLY 40 Ca -0.06 1.51 0.00 0.00 0.00 0.00 0.00 44.72 46.18 3kqb s GLY 40 CO 0.04 2.41 0.00 1.97 0.00 0.00 0.00 173.10 177.52 3kqb n PHE 41 N 1.76 0.00 -3.68 1.90 1.16 -0.22 -4.95 117.46 113.43 3kqb n PHE 41 Ca 0.06 0.00 -0.11 0.00 -1.87 0.00 0.00 57.45 55.53 3kqb n PHE 41 Cb 0.38 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 38.20 3kqb n PHE 41 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3kqb s GLY 43 N -2.42 1.77 0.18 0.00 0.00 0.16 -0.10 107.32 106.91 3kqb s GLY 43 Ca -0.01 -1.82 -0.19 0.00 0.00 0.00 0.00 44.72 42.70 3kqb s GLY 43 CO -0.07 -1.34 0.53 -0.32 0.00 0.00 0.00 173.10 171.89 3kqb s GLY 44 N -4.66 -0.25 -0.10 0.20 0.00 -0.36 -3.33 107.32 98.82 3kqb s GLY 44 Ca 0.63 -0.03 0.02 0.00 0.00 0.00 0.00 44.72 45.35 3kqb s GLY 44 CO 0.41 -0.17 -0.17 -1.59 0.00 0.00 0.00 173.10 171.58 3kqb s THR 45 N -3.83 2.68 -0.11 0.90 2.01 0.15 -1.19 115.64 116.25 3kqb s THR 45 Ca 0.06 -0.81 -0.30 0.00 0.31 0.00 0.00 61.69 60.95 3kqb s THR 45 Cb -0.01 -2.08 -0.02 0.00 0.01 0.00 0.00 72.50 70.40 3kqb s THR 45 CO -0.07 0.55 1.23 -0.63 -0.69 0.00 0.00 174.62 175.01 3kqb s ILE 46 N 0.14 4.26 -0.16 1.82 1.01 0.46 -0.55 121.20 128.19 3kqb s ILE 46 Ca -0.09 1.56 0.15 0.00 0.00 0.00 0.00 60.65 62.27 3kqb s ILE 46 Cb -0.15 -4.01 -0.21 0.00 0.01 0.00 0.00 42.46 38.10 3kqb s ILE 46 CO 0.06 -0.07 0.07 0.18 0.00 0.00 0.00 174.94 175.18 3kqb n LEU 47 N 5.89 0.00 0.00 2.97 4.77 -0.13 -1.34 117.00 129.15 3kqb n LEU 47 Ca 0.12 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 56.07 3kqb n LEU 47 Cb 0.45 0.39 0.02 0.00 -2.33 0.00 0.00 43.42 41.96 3kqb n LEU 47 CO 0.55 0.39 0.56 -1.54 -1.33 0.00 0.00 177.39 176.03 3kqb n SER 48 N -2.60 -1.40 0.25 -1.43 3.41 -1.20 -4.71 113.62 105.94 3kqb n SER 48 Ca -0.26 -1.80 0.11 0.00 -0.26 0.00 0.00 58.87 56.66 3kqb n SER 48 Cb 1.02 2.29 0.65 0.00 -0.26 0.00 0.00 64.21 67.91 3kqb n SER 48 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 3kqb h GLU 49 N 0.00 0.00 0.00 4.33 4.11 -1.98 -3.17 114.58 117.87 3kqb h GLU 49 Ca -0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.22 3kqb h GLU 49 Cb 0.90 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.15 3kqb h GLU 49 CO 0.28 0.16 -1.09 1.19 0.07 0.00 0.00 179.01 179.62 3kqb n PHE 50 N -3.73 0.00 -5.10 2.06 3.72 -1.26 0.62 117.46 113.78 3kqb n PHE 50 Ca -0.02 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.06 3kqb n PHE 50 Cb 0.27 -0.14 -0.15 0.00 -0.94 0.00 0.00 39.48 38.52 3kqb n PHE 50 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 3kqb s TYR 51 N -2.61 2.55 -0.06 1.38 2.02 -1.20 -0.44 117.35 118.99 3kqb s TYR 51 Ca 0.01 -0.47 0.05 0.00 -0.37 0.00 0.00 57.07 56.29 3kqb s TYR 51 Cb 0.10 -1.62 -0.01 0.00 -0.40 0.00 0.00 41.96 40.04 3kqb s TYR 51 CO 0.58 -0.05 -0.22 0.42 -1.57 0.00 0.00 175.55 174.71 3kqb s ILE 52 N -0.38 1.81 -0.17 2.71 -1.09 -0.31 -0.96 121.20 122.82 3kqb s ILE 52 Ca 0.03 -0.92 -0.08 0.00 -2.23 0.00 0.00 60.65 57.45 3kqb s ILE 52 Cb -0.12 -1.54 -0.04 0.00 -1.58 0.00 0.00 42.46 39.17 3kqb s ILE 52 CO 0.02 0.51 0.12 -0.22 -1.23 0.00 0.00 174.94 174.13 3kqb s LEU 53 N -0.01 4.18 0.00 2.97 2.96 0.29 -0.00 118.68 129.05 3kqb s LEU 53 Ca -0.06 0.28 -0.01 0.00 -0.22 0.00 0.00 54.13 54.12 3kqb s LEU 53 Cb -0.13 -2.05 0.01 0.00 0.50 0.00 0.00 46.19 44.51 3kqb s LEU 53 CO 0.04 0.26 0.36 1.07 -1.32 0.00 0.00 176.35 176.76 3kqb n THR 54 N 2.98 0.00 -3.42 3.68 5.66 -0.24 0.34 114.28 123.27 3kqb n THR 54 Ca -0.17 -1.35 -0.38 0.00 -3.05 0.00 0.00 64.05 59.10 3kqb n THR 54 Cb 0.53 0.83 -0.06 0.00 -1.55 0.00 0.00 70.33 70.08 3kqb n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3kqb s ALA 55 N -2.49 3.65 0.24 1.79 0.00 -1.26 -0.92 121.76 122.78 3kqb s ALA 55 Ca 0.22 -0.14 -0.06 0.00 0.00 0.00 0.00 51.96 51.98 3kqb s ALA 55 Cb -0.01 -2.47 0.25 0.00 0.00 0.00 0.00 23.12 20.89 3kqb s ALA 55 CO 0.16 0.46 1.92 0.00 0.00 0.00 0.00 175.76 178.29 3kqb h ALA 56 N 4.49 1.24 0.00 0.00 0.00 -1.71 -2.61 119.26 120.67 3kqb h ALA 56 Ca -0.51 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.33 3kqb h ALA 56 Cb 1.21 -0.40 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 3kqb h ALA 56 CO 0.63 0.64 -0.02 1.12 0.00 0.00 0.00 179.25 181.61 3kqb h HIS 57 N 1.33 0.00 0.00 0.00 2.07 -1.92 -1.79 115.15 114.84 3kqb h HIS 57 Ca 0.36 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.82 3kqb h HIS 57 Cb -0.14 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 29.83 3kqb h HIS 57 CO -0.00 0.02 -0.28 0.00 -3.07 0.00 0.00 177.93 174.61 3kqb n LEU 59 N -4.18 0.00 0.01 0.00 4.77 -0.67 -1.92 117.00 115.01 3kqb n LEU 59 Ca -0.02 0.47 0.11 0.00 -0.03 0.00 0.00 56.01 56.54 3kqb n LEU 59 Cb 0.33 -0.47 0.01 0.00 -2.33 0.00 0.00 43.42 40.95 3kqb n LEU 59 CO 0.37 -0.28 0.00 -1.22 -1.33 0.00 0.00 177.39 174.93 3kqb n TYR 60 N -1.47 0.14 0.48 -1.77 4.02 -1.13 -4.34 117.16 113.09 3kqb n TYR 60 Ca 0.03 0.04 0.13 0.00 -0.01 0.00 0.00 57.90 58.09 3kqb n TYR 60 Cb 0.13 -0.31 0.43 0.00 -0.02 0.00 0.00 39.34 39.57 3kqb n TYR 60 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 176.86 177.81 3kqb h GLN 61 N 0.00 0.00 -2.21 -0.72 1.08 -1.52 -3.46 115.11 108.28 3kqb h GLN 61 Ca 0.00 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.13 3kqb h GLN 61 Cb 0.66 0.00 -0.20 0.00 -0.05 0.00 0.00 27.48 27.88 3kqb h GLN 61 CO 0.00 0.00 0.06 0.00 -0.95 0.00 0.00 178.83 177.94 3kqb s ALA 61 N -3.23 -1.57 -0.05 3.87 0.00 -1.26 -5.07 121.76 114.44 3kqb s ALA 61 Ca 0.07 1.42 -0.17 0.00 0.00 0.00 0.00 51.96 53.28 3kqb s ALA 61 Cb 0.10 -0.46 -0.12 0.00 0.00 0.00 0.00 23.12 22.64 3kqb s ALA 61 CO 0.54 -0.33 0.70 0.87 0.00 0.00 0.00 175.76 177.53 3kqb h LYS 62 N 4.07 -0.29 -5.47 0.00 1.57 -1.89 -3.45 116.57 111.12 3kqb h LYS 62 Ca -0.28 0.02 -0.67 0.00 -1.87 0.00 0.00 60.65 57.85 3kqb h LYS 62 Cb 1.16 0.07 -0.30 0.00 0.08 0.00 0.00 32.23 33.23 3kqb h LYS 62 CO 0.26 0.03 -0.84 0.50 -0.57 0.00 0.00 179.45 178.83 3kqb s ARG 63 N -3.16 3.06 0.03 3.15 3.52 -1.26 -5.13 118.95 119.17 3kqb s ARG 63 Ca -0.10 -0.82 -0.05 0.00 -0.13 0.00 0.00 55.73 54.64 3kqb s ARG 63 Cb 0.00 -2.39 -0.01 0.00 -1.56 0.00 0.00 34.95 31.00 3kqb s ARG 63 CO 0.35 0.24 0.08 -0.59 -0.81 0.00 0.00 175.30 174.57 3kqb s PHE 64 N 0.23 0.19 0.43 5.12 -0.12 -1.26 -3.48 117.98 119.09 3kqb s PHE 64 Ca -0.13 -0.46 0.06 0.00 -0.05 0.00 0.00 56.93 56.35 3kqb s PHE 64 Cb -0.16 -0.14 -0.06 0.00 -0.63 0.00 0.00 43.02 42.03 3kqb s PHE 64 CO 0.07 -0.33 0.08 0.15 -0.05 0.00 0.00 175.22 175.14 3kqb s LYS 65 N -2.31 2.09 -0.18 1.99 1.02 -0.20 -4.48 119.74 117.68 3kqb s LYS 65 Ca -0.08 -2.04 -0.00 0.00 0.02 0.00 0.00 55.97 53.87 3kqb s LYS 65 Cb -0.03 -1.76 0.01 0.00 -0.52 0.00 0.00 37.83 35.53 3kqb s LYS 65 CO -0.03 -0.12 -0.16 0.08 -0.92 0.00 0.00 175.35 174.19 3kqb s VAL 66 N -2.69 2.45 -0.19 3.17 1.01 0.50 -1.24 120.40 123.41 3kqb s VAL 66 Ca 0.34 -0.82 -0.08 0.00 0.00 0.00 0.00 61.98 61.42 3kqb s VAL 66 Cb 0.07 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.35 3kqb s VAL 66 CO 0.18 0.51 0.09 -0.60 0.00 0.00 0.00 175.10 175.28 3kqb s ARG 67 N 1.21 4.05 0.26 2.72 3.52 0.94 -0.42 118.95 131.23 3kqb s ARG 67 Ca 0.02 -0.29 0.10 0.00 -0.13 0.00 0.00 55.73 55.44 3kqb s ARG 67 Cb -0.14 -3.30 -0.05 0.00 -1.56 0.00 0.00 34.95 29.90 3kqb s ARG 67 CO -0.08 0.30 -0.16 0.14 -0.81 0.00 0.00 175.30 174.69 3kqb s VAL 68 N 0.32 2.15 0.00 7.11 -7.23 -0.45 -0.31 120.40 121.99 3kqb s VAL 68 Ca 0.05 -2.30 0.00 0.00 -1.81 0.00 0.00 61.98 57.92 3kqb s VAL 68 Cb -0.12 -2.26 0.00 0.00 0.56 0.00 0.00 36.38 34.56 3kqb s VAL 68 CO -0.01 -0.44 0.00 0.61 -0.31 0.00 0.00 175.10 174.95 3kqb n GLY 69 N -0.55 0.16 3.74 2.32 0.00 -1.25 -2.00 105.19 107.61 3kqb n GLY 69 Ca -0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 3kqb n GLY 69 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kqb s ASP 70 N -2.02 6.86 0.00 1.61 2.15 -1.26 -4.28 116.67 119.73 3kqb s ASP 70 Ca 0.00 1.02 0.00 0.00 0.43 0.00 0.00 52.55 54.00 3kqb s ASP 70 Cb 0.00 -2.34 0.00 0.00 -0.30 0.00 0.00 42.92 40.28 3kqb s ASP 70 CO 0.00 0.03 0.00 0.54 -0.17 0.00 0.00 175.17 175.57 3kqb n ARG 71 N 3.27 2.72 -3.71 4.34 1.74 -1.26 -4.89 116.66 118.86 3kqb n ARG 71 Ca -0.06 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.74 3kqb n ARG 71 Cb 0.51 -0.91 -0.16 0.00 -1.02 0.00 0.00 32.46 30.88 3kqb n ARG 71 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3kqb s ASN 72 N -2.37 2.86 0.35 0.55 2.47 -1.26 -0.49 114.94 117.05 3kqb s ASN 72 Ca 0.00 -0.82 0.26 0.00 0.42 0.00 0.00 52.86 52.72 3kqb s ASN 72 Cb 0.00 -0.54 1.19 0.00 -1.45 0.00 0.00 41.25 40.45 3kqb s ASN 72 CO 0.00 -0.32 1.78 0.71 -3.72 0.00 0.00 177.10 175.55 3kqb h THR 73 N 6.50 0.00 0.14 -5.21 1.35 -0.82 -3.06 112.91 111.81 3kqb h THR 73 Ca -0.16 -0.20 -0.29 0.00 -0.55 0.00 0.00 66.41 65.22 3kqb h THR 73 Cb 1.12 0.92 0.01 0.00 -1.73 0.00 0.00 68.15 68.47 3kqb h THR 73 CO 0.33 0.00 -1.33 -0.33 -0.25 0.00 0.00 175.52 173.94 3kqb h GLU 74 N 0.00 0.30 -5.07 4.72 4.39 -1.97 -3.45 114.58 113.50 3kqb h GLU 74 Ca 0.00 -0.51 -0.63 0.00 0.34 0.00 0.00 59.36 58.56 3kqb h GLU 74 Cb 0.27 0.19 -0.19 0.00 -0.10 0.00 0.00 28.75 28.92 3kqb h GLU 74 CO 0.00 1.22 -0.58 -0.65 -1.16 0.00 0.00 179.01 177.85 3kqb s GLN 75 N -2.64 3.85 -0.48 2.33 -1.52 -1.16 -5.05 119.66 114.99 3kqb s GLN 75 Ca -0.06 -0.39 -0.28 0.00 -1.95 0.00 0.00 55.36 52.68 3kqb s GLN 75 Cb 0.07 -3.35 -0.00 0.00 -0.22 0.00 0.00 33.01 29.50 3kqb s GLN 75 CO 0.88 -0.00 1.59 -2.00 -0.25 0.00 0.00 175.29 175.51 3kqb s GLU 76 N 1.15 3.25 0.00 2.91 2.12 -1.26 -4.77 118.70 122.10 3kqb s GLU 76 Ca 0.05 0.84 0.00 0.00 0.36 0.00 0.00 54.97 56.22 3kqb s GLU 76 Cb -0.14 -4.17 0.00 0.00 0.26 0.00 0.00 34.13 30.08 3kqb s GLU 76 CO 0.04 -1.97 0.00 0.39 -0.54 0.00 0.00 175.26 173.17 3kqb n GLU 77 N 8.56 0.59 -4.77 4.30 1.02 -1.26 -5.10 120.64 123.98 3kqb n GLU 77 Ca 0.17 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 57.00 3kqb n GLU 77 Cb 0.49 0.00 -0.17 0.00 -0.02 0.00 0.00 31.44 31.74 3kqb n GLU 77 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3kqb s GLY 78 N -2.10 1.26 0.00 0.62 0.00 -1.26 -4.54 107.32 101.30 3kqb s GLY 78 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 44.72 43.77 3kqb s GLY 78 CO 0.00 -0.05 0.00 0.61 0.00 0.00 0.00 173.10 173.66 3kqb n GLY 79 N 3.94 1.91 3.71 0.20 0.00 -1.26 -5.04 105.19 108.65 3kqb n GLY 79 Ca -0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 3kqb n GLY 79 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kqb s GLU 80 N -0.92 4.37 -0.03 1.61 2.12 -1.26 -4.53 118.70 120.06 3kqb s GLU 80 Ca 0.00 1.85 -0.06 0.00 0.36 0.00 0.00 54.97 57.13 3kqb s GLU 80 Cb 0.00 -3.40 0.01 0.00 0.26 0.00 0.00 34.13 31.00 3kqb s GLU 80 CO 0.00 -0.38 0.13 0.00 -0.54 0.00 0.00 175.26 174.47 3kqb s ALA 81 N 1.48 -0.32 -0.18 6.30 0.00 -0.85 -4.96 121.76 123.24 3kqb s ALA 81 Ca 0.60 0.12 -0.07 0.00 0.00 0.00 0.00 51.96 52.61 3kqb s ALA 81 Cb -0.31 -0.07 -0.04 0.00 0.00 0.00 0.00 23.12 22.71 3kqb s ALA 81 CO 0.28 -0.14 0.06 0.08 0.00 0.00 0.00 175.76 176.04 3kqb s VAL 82 N -0.65 4.79 -0.06 0.00 1.01 -1.26 -1.34 120.40 122.90 3kqb s VAL 82 Ca -0.07 -0.03 0.04 0.00 0.00 0.00 0.00 61.98 61.91 3kqb s VAL 82 Cb -0.04 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.19 3kqb s VAL 82 CO 0.01 0.47 -0.18 -1.00 0.00 0.00 0.00 175.10 174.40 3kqb s HIS 83 N 0.26 1.86 0.29 5.22 3.76 0.44 -4.98 115.29 122.15 3kqb s HIS 83 Ca 0.04 -0.62 -0.14 0.00 -0.15 0.00 0.00 55.06 54.19 3kqb s HIS 83 Cb -0.12 -1.27 -0.08 0.00 1.11 0.00 0.00 32.58 32.21 3kqb s HIS 83 CO 0.00 -0.24 0.69 -1.21 -0.85 0.00 0.00 174.74 173.13 3kqb s GLU 84 N 0.21 3.96 -0.14 1.40 2.02 -1.26 -0.37 118.70 124.52 3kqb s GLU 84 Ca -0.09 0.58 -0.20 0.00 0.02 0.00 0.00 54.97 55.28 3kqb s GLU 84 Cb -0.14 -2.51 -0.04 0.00 0.10 0.00 0.00 34.13 31.54 3kqb s GLU 84 CO 0.04 0.21 0.57 0.08 0.02 0.00 0.00 175.26 176.18 3kqb s VAL 85 N -1.91 5.11 -0.15 2.63 1.01 -1.26 -0.97 120.40 124.84 3kqb s VAL 85 Ca 0.52 1.12 -0.13 0.00 0.00 0.00 0.00 61.98 63.48 3kqb s VAL 85 Cb -0.11 -3.90 -0.09 0.00 0.00 0.00 0.00 36.38 32.28 3kqb s VAL 85 CO 0.18 0.24 0.05 -0.08 0.00 0.00 0.00 175.10 175.49 3kqb h GLU 86 N 7.02 0.00 -5.56 2.72 4.81 -0.73 -3.44 114.58 119.41 3kqb h GLU 86 Ca -0.38 0.00 -0.63 0.00 -0.13 0.00 0.00 59.36 58.23 3kqb h GLU 86 Cb 1.17 0.00 -0.32 0.00 0.63 0.00 0.00 28.75 30.23 3kqb h GLU 86 CO 0.76 0.38 -0.86 0.08 -0.73 0.00 0.00 179.01 178.64 3kqb s VAL 87 N -2.16 1.74 -0.26 0.32 1.01 -0.82 -4.99 120.40 115.25 3kqb s VAL 87 Ca -0.17 -0.88 -0.06 0.00 0.00 0.00 0.00 61.98 60.87 3kqb s VAL 87 Cb 0.02 -1.49 -0.01 0.00 0.00 0.00 0.00 36.38 34.90 3kqb s VAL 87 CO 0.33 0.49 0.05 -0.69 0.00 0.00 0.00 175.10 175.28 3kqb s VAL 88 N 0.02 3.99 -0.45 2.92 1.01 -1.26 -0.28 120.40 126.36 3kqb s VAL 88 Ca -0.06 -0.42 -0.03 0.00 0.00 0.00 0.00 61.98 61.47 3kqb s VAL 88 Cb -0.13 -2.92 0.12 0.00 0.00 0.00 0.00 36.38 33.44 3kqb s VAL 88 CO 0.04 0.27 0.25 -0.63 0.00 0.00 0.00 175.10 175.02 3kqb s ILE 89 N 1.55 3.38 -0.10 2.22 1.01 0.50 -5.02 121.20 124.74 3kqb s ILE 89 Ca 0.05 -2.21 -0.07 0.00 0.00 0.00 0.00 60.65 58.42 3kqb s ILE 89 Cb -0.16 -3.30 -0.04 0.00 0.01 0.00 0.00 42.46 38.97 3kqb s ILE 89 CO 0.02 -0.73 0.16 -0.75 0.00 0.00 0.00 174.94 173.64 3kqb s LYS 90 N 0.94 3.47 -0.24 2.79 2.20 -1.26 -0.62 119.74 127.02 3kqb s LYS 90 Ca 0.10 -0.11 -0.29 0.00 -0.36 0.00 0.00 55.97 55.31 3kqb s LYS 90 Cb -0.23 -3.18 -0.01 0.00 -1.51 0.00 0.00 37.83 32.90 3kqb s LYS 90 CO -0.04 0.77 1.40 -1.58 -0.36 0.00 0.00 175.35 175.54 3kqb s HIS 91 N -1.05 2.51 -0.22 4.03 5.65 -1.15 -4.91 115.29 120.15 3kqb s HIS 91 Ca 0.16 0.76 0.21 0.00 0.25 0.00 0.00 55.06 56.44 3kqb s HIS 91 Cb -0.12 -3.85 1.12 0.00 -1.18 0.00 0.00 32.58 28.55 3kqb s HIS 91 CO 0.06 -2.18 1.63 0.27 -0.65 0.00 0.00 174.74 173.86 3kqb n ASN 92 N 7.64 0.54 -0.49 9.88 6.94 -1.26 -2.06 115.26 136.44 3kqb n ASN 92 Ca 0.16 0.75 0.14 0.00 -0.02 0.00 0.00 54.58 55.60 3kqb n ASN 92 Cb 0.46 -0.81 0.46 0.00 -2.36 0.00 0.00 39.78 37.52 3kqb n ASN 92 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 3kqb n ARG 93 N -2.23 1.60 -2.49 -3.83 1.74 -1.26 -4.94 116.66 105.24 3kqb n ARG 93 Ca -0.01 -0.98 -0.40 0.00 -0.77 0.00 0.00 57.85 55.68 3kqb n ARG 93 Cb 0.04 -1.48 -0.04 0.00 -1.02 0.00 0.00 32.46 29.96 3kqb n ARG 93 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 3kqb s PHE 94 N -2.08 3.61 -0.12 -1.55 5.36 -0.88 -4.72 117.98 117.61 3kqb s PHE 94 Ca 0.35 1.72 -0.11 0.00 -0.96 0.00 0.00 56.93 57.92 3kqb s PHE 94 Cb 0.21 -3.26 0.03 0.00 -0.34 0.00 0.00 43.02 39.66 3kqb s PHE 94 CO 0.36 -0.47 0.32 -0.08 -1.46 0.00 0.00 175.22 173.89 3kqb s THR 95 N -1.15 0.00 -0.14 0.12 -1.32 -1.25 -5.05 115.64 106.84 3kqb s THR 95 Ca 0.44 -0.00 0.27 0.00 -1.21 0.00 0.00 61.69 61.19 3kqb s THR 95 Cb -0.32 -0.46 0.29 0.00 -1.51 0.00 0.00 72.50 70.51 3kqb s THR 95 CO 0.40 -0.00 1.83 0.07 -2.21 0.00 0.00 174.62 174.71 3kqb h LYS 96 N 5.62 0.00 0.00 7.08 2.10 -1.97 0.37 116.57 129.77 3kqb h LYS 96 Ca -0.26 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.25 3kqb h LYS 96 Cb 1.19 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.50 3kqb h LYS 96 CO 0.30 0.00 -0.66 0.93 -2.00 0.00 0.00 179.45 178.02 3kqb h GLU 97 N 0.00 0.00 0.00 0.07 4.39 -1.99 -3.36 114.58 113.69 3kqb h GLU 97 Ca 0.00 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.65 3kqb h GLU 97 Cb 0.22 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 3kqb h GLU 97 CO 0.00 0.66 -1.22 0.25 -1.16 0.00 0.00 179.01 177.54 3kqb n THR 98 N -3.72 0.19 -1.29 1.13 -2.24 -1.09 -5.01 114.28 102.26 3kqb n THR 98 Ca -0.01 -0.13 -0.10 0.00 -2.27 0.00 0.00 64.05 61.54 3kqb n THR 98 Cb 0.66 -0.71 -0.04 0.00 -2.10 0.00 0.00 70.33 68.14 3kqb n THR 98 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3kqb n TYR 99 N -2.05 0.00 -2.04 4.78 4.02 0.10 -4.92 117.16 117.06 3kqb n TYR 99 Ca -0.05 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.52 3kqb n TYR 99 Cb 0.53 -2.21 0.01 0.00 -0.02 0.00 0.00 39.34 37.65 3kqb n TYR 99 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 3kqb s ASP 100 N -2.57 5.93 -1.44 7.72 2.15 -1.26 -3.80 116.67 123.40 3kqb s ASP 100 Ca 0.00 1.71 -0.11 0.00 0.43 0.00 0.00 52.55 54.58 3kqb s ASP 100 Cb 0.00 -2.52 0.04 0.00 -0.30 0.00 0.00 42.92 40.15 3kqb s ASP 100 CO 0.00 -1.07 1.09 0.49 -0.17 0.00 0.00 175.17 175.51 3kqb n PHE 101 N -2.15 -2.60 -1.94 -5.34 3.72 -1.26 -3.95 117.46 103.94 3kqb n PHE 101 Ca 0.08 0.96 -0.42 0.00 -0.05 0.00 0.00 57.45 58.02 3kqb n PHE 101 Cb 0.53 -4.55 0.00 0.00 -0.94 0.00 0.00 39.48 34.52 3kqb n PHE 101 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3kqb n ASP 102 N -2.94 4.15 -3.83 4.37 2.03 -1.25 -4.36 116.55 114.72 3kqb n ASP 102 Ca 0.02 -2.87 -0.12 0.00 0.52 0.00 0.00 54.79 52.34 3kqb n ASP 102 Cb 0.55 -1.67 -0.12 0.00 -0.72 0.00 0.00 41.12 39.16 3kqb n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 3kqb s ILE 103 N 3.26 0.02 0.03 5.18 2.07 -1.26 -4.07 121.20 126.42 3kqb s ILE 103 Ca 0.48 -0.17 -0.14 0.00 -1.41 0.00 0.00 60.65 59.41 3kqb s ILE 103 Cb 0.12 -0.30 0.02 0.00 0.13 0.00 0.00 42.46 42.43 3kqb s ILE 103 CO -0.05 -0.10 0.31 0.00 -1.91 0.00 0.00 174.94 173.19 3kqb s ALA 104 N -0.28 -0.71 -0.07 1.50 0.00 -0.09 -2.93 121.76 119.18 3kqb s ALA 104 Ca -0.04 0.10 0.05 0.00 0.00 0.00 0.00 51.96 52.07 3kqb s ALA 104 Cb -0.03 0.25 -0.01 0.00 0.00 0.00 0.00 23.12 23.34 3kqb s ALA 104 CO 0.01 -0.37 -0.23 0.08 0.00 0.00 0.00 175.76 175.24 3kqb s VAL 105 N -2.21 1.93 -0.12 0.00 1.01 0.21 -1.08 120.40 120.14 3kqb s VAL 105 Ca -0.07 -0.98 -0.00 0.00 0.00 0.00 0.00 61.98 60.92 3kqb s VAL 105 Cb -0.02 -1.65 -0.02 0.00 0.00 0.00 0.00 36.38 34.69 3kqb s VAL 105 CO -0.01 0.54 -0.11 -0.76 0.00 0.00 0.00 175.10 174.75 3kqb s LEU 106 N 0.04 2.85 -0.23 3.92 1.43 1.00 -0.37 118.68 127.32 3kqb s LEU 106 Ca -0.08 -0.25 -0.10 0.00 -1.03 0.00 0.00 54.13 52.66 3kqb s LEU 106 Cb -0.15 -1.64 -0.05 0.00 0.03 0.00 0.00 46.19 44.38 3kqb s LEU 106 CO 0.05 0.21 0.15 -0.60 0.23 0.00 0.00 176.35 176.39 3kqb s ARG 107 N 0.11 4.08 0.45 1.70 3.52 0.61 -1.16 118.95 128.25 3kqb s ARG 107 Ca -0.05 -0.27 -0.13 0.00 -0.13 0.00 0.00 55.73 55.15 3kqb s ARG 107 Cb -0.14 -3.51 -0.07 0.00 -1.56 0.00 0.00 34.95 29.67 3kqb s ARG 107 CO 0.04 0.10 0.86 -0.51 -0.81 0.00 0.00 175.30 174.98 3kqb s LEU 108 N 0.94 3.76 0.15 -0.88 1.43 0.41 -0.09 118.68 124.39 3kqb s LEU 108 Ca 0.07 1.33 -0.11 0.00 -1.03 0.00 0.00 54.13 54.40 3kqb s LEU 108 Cb -0.13 -4.23 -0.03 0.00 0.03 0.00 0.00 46.19 41.83 3kqb s LEU 108 CO 0.03 -0.47 1.50 0.50 0.23 0.00 0.00 176.35 178.15 3kqb h LYS 109 N 1.17 0.97 -6.52 1.70 1.63 -1.35 -3.41 116.57 110.77 3kqb h LYS 109 Ca -0.47 -0.48 -0.62 0.00 -0.85 0.00 0.00 60.65 58.23 3kqb h LYS 109 Cb 1.19 -0.00 -0.22 0.00 -0.60 0.00 0.00 32.23 32.60 3kqb h LYS 109 CO 0.63 1.14 -0.85 0.95 -3.45 0.00 0.00 179.45 177.87 3kqb s THR 110 N -4.50 1.97 0.36 1.00 -4.23 -1.26 -5.01 115.64 103.97 3kqb s THR 110 Ca -0.11 -1.64 -0.25 0.00 -1.18 0.00 0.00 61.69 58.51 3kqb s THR 110 Cb 0.12 -1.76 -0.09 0.00 1.34 0.00 0.00 72.50 72.10 3kqb s THR 110 CO 0.88 0.02 1.04 -2.16 -0.54 0.00 0.00 174.62 173.86 3kqb s PRO 111 N -1.96 4.32 0.28 3.99 0.04 -1.26 -4.81 135.00 135.61 3kqb s PRO 111 Ca 0.10 1.53 -0.29 0.00 0.04 0.00 0.00 61.00 62.38 3kqb s PRO 111 Cb -0.10 -2.70 -0.10 0.00 0.04 0.00 0.00 34.50 31.64 3kqb s PRO 111 CO 0.05 -0.00 1.30 0.42 0.04 0.00 0.00 177.00 178.81 3kqb s ILE 112 N -1.56 2.92 -0.29 0.56 1.01 0.20 -4.99 121.20 119.05 3kqb s ILE 112 Ca 0.54 0.86 -0.19 0.00 0.00 0.00 0.00 60.65 61.85 3kqb s ILE 112 Cb -0.23 -3.55 -0.01 0.00 0.01 0.00 0.00 42.46 38.68 3kqb s ILE 112 CO 0.29 0.18 0.59 -0.89 0.00 0.00 0.00 174.94 175.11 3kqb s THR 113 N -0.70 4.98 0.21 2.92 2.01 -1.26 -4.75 115.64 119.05 3kqb s THR 113 Ca 0.52 0.85 -0.30 0.00 0.31 0.00 0.00 61.69 63.07 3kqb s THR 113 Cb -0.38 -3.94 -0.08 0.00 0.01 0.00 0.00 72.50 68.10 3kqb s THR 113 CO 0.47 -0.07 0.95 -0.36 -0.69 0.00 0.00 174.62 174.92 3kqb s PHE 114 N 2.50 3.94 0.08 4.92 0.08 -1.26 -4.87 117.98 123.37 3kqb s PHE 114 Ca 0.24 1.89 -0.09 0.00 0.12 0.00 0.00 56.93 59.09 3kqb s PHE 114 Cb -0.15 -3.00 0.03 0.00 -0.57 0.00 0.00 43.02 39.33 3kqb s PHE 114 CO 0.11 0.39 0.42 2.89 -0.10 0.00 0.00 175.22 178.93 3kqb n ARG 115 N 1.83 0.29 -1.69 0.44 1.85 -0.32 -4.99 116.66 114.06 3kqb n ARG 115 Ca -0.01 -0.64 -0.44 0.00 -1.00 0.00 0.00 57.85 55.75 3kqb n ARG 115 Cb 0.48 0.86 -0.04 0.00 -1.05 0.00 0.00 32.46 32.71 3kqb n ARG 115 CO 0.00 0.00 0.00 -0.12 -0.01 0.00 0.00 177.63 177.50 3kqb n MET 116 N -0.30 2.44 -0.95 2.89 0.00 -1.26 -0.43 117.12 119.52 3kqb n MET 116 Ca -0.01 0.88 0.00 0.00 -0.00 0.00 0.00 57.70 58.57 3kqb n MET 116 Cb 0.24 -2.70 0.00 0.00 0.00 0.00 0.00 33.22 30.76 3kqb n MET 116 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 3kqb n ASN 117 N 4.10 -1.60 -3.71 6.12 3.02 -1.26 -4.92 115.26 117.02 3kqb n ASN 117 Ca 0.17 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.44 3kqb n ASN 117 Cb 0.32 -0.75 -0.16 0.00 -0.61 0.00 0.00 39.78 38.58 3kqb n ASN 117 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3kqb s VAL 118 N -2.70 0.53 -0.09 2.41 1.01 0.43 -3.83 120.40 118.16 3kqb s VAL 118 Ca 0.00 -0.80 -0.30 0.00 0.00 0.00 0.00 61.98 60.87 3kqb s VAL 118 Cb 0.00 -1.19 0.08 0.00 0.00 0.00 0.00 36.38 35.27 3kqb s VAL 118 CO 0.00 -0.40 0.76 0.00 0.00 0.00 0.00 175.10 175.46 3kqb s ALA 119 N 1.83 -1.81 0.46 5.51 0.00 -0.82 -1.18 121.76 125.75 3kqb s ALA 119 Ca 0.03 1.42 -0.13 0.00 0.00 0.00 0.00 51.96 53.28 3kqb s ALA 119 Cb -0.17 -0.23 -0.07 0.00 0.00 0.00 0.00 23.12 22.65 3kqb s ALA 119 CO -0.16 -0.35 0.87 -1.25 0.00 0.00 0.00 175.76 174.86 3kqb s PRO 120 N -1.08 3.83 0.38 0.00 0.04 -1.26 -2.69 135.00 134.21 3kqb s PRO 120 Ca -0.08 0.67 -0.13 0.00 0.04 0.00 0.00 61.00 61.49 3kqb s PRO 120 Cb -0.00 -2.28 -0.08 0.00 0.04 0.00 0.00 34.50 32.18 3kqb s PRO 120 CO 0.07 -0.16 0.78 0.00 0.04 0.00 0.00 177.00 177.74 3kqb s ALA 121 N -2.51 3.30 0.36 8.56 0.00 -0.45 -4.88 121.76 126.14 3kqb s ALA 121 Ca 0.54 -0.04 -0.25 0.00 0.00 0.00 0.00 51.96 52.22 3kqb s ALA 121 Cb -0.10 -2.78 -0.10 0.00 0.00 0.00 0.00 23.12 20.14 3kqb s ALA 121 CO 0.32 0.13 0.98 0.00 0.00 0.00 0.00 175.76 177.20 3kqb s LEU 123 N -2.40 4.06 0.91 0.00 1.43 -1.26 -0.66 118.68 120.76 3kqb s LEU 123 Ca 0.54 0.23 -0.14 0.00 -1.03 0.00 0.00 54.13 53.73 3kqb s LEU 123 Cb -0.18 -2.33 0.17 0.00 0.03 0.00 0.00 46.19 43.87 3kqb s LEU 123 CO 0.23 -0.11 1.27 -2.16 0.23 0.00 0.00 176.35 175.81 3kqb s PRO 124 N 1.77 1.03 0.08 1.29 0.04 -1.26 -5.00 135.00 132.95 3kqb s PRO 124 Ca 0.13 -0.32 -0.15 0.00 0.04 0.00 0.00 61.00 60.70 3kqb s PRO 124 Cb -0.15 -1.90 -0.06 0.00 0.04 0.00 0.00 34.50 32.42 3kqb s PRO 124 CO 0.09 -2.15 0.50 -1.21 0.04 0.00 0.00 177.00 174.27 3kqb s GLU 124 N -5.77 4.00 0.11 4.56 2.02 -1.26 -4.97 118.70 117.39 3kqb s GLU 124 Ca 0.71 0.50 -0.28 0.00 0.02 0.00 0.00 54.97 55.92 3kqb s GLU 124 Cb -0.06 -3.09 -0.09 0.00 0.10 0.00 0.00 34.13 30.98 3kqb s GLU 124 CO 0.51 0.59 1.46 -0.09 0.02 0.00 0.00 175.26 177.75 3kqb h ARG 125 N 4.13 -0.34 -0.55 1.61 2.43 -1.97 -0.73 114.38 118.95 3kqb h ARG 125 Ca -0.50 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 58.68 3kqb h ARG 125 Cb 1.21 0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.81 3kqb h ARG 125 CO 0.64 -0.23 0.27 -0.44 -1.51 0.00 0.00 179.97 178.70 3kqb h ASP 126 N -0.35 0.72 -0.50 -3.80 3.45 -1.96 -1.83 116.42 112.14 3kqb h ASP 126 Ca 0.06 -0.12 -0.05 0.00 0.43 0.00 0.00 57.03 57.34 3kqb h ASP 126 Cb 0.51 -0.18 -0.02 0.00 -0.56 0.00 0.00 39.33 39.08 3kqb h ASP 126 CO -0.49 0.64 0.10 -0.25 -1.57 0.00 0.00 179.24 177.67 3kqb h TRP 127 N 0.75 0.86 -0.79 4.55 7.01 -1.97 0.12 115.95 126.47 3kqb h TRP 127 Ca 0.19 -0.11 0.04 0.00 2.11 0.00 0.00 58.89 61.12 3kqb h TRP 127 Cb 0.11 -0.24 -0.05 0.00 -2.10 0.00 0.00 29.16 26.88 3kqb h TRP 127 CO -0.00 0.77 0.50 0.00 -2.79 0.00 0.00 178.44 176.92 3kqb h ALA 128 N 0.98 1.04 -0.13 2.65 0.00 -0.91 0.54 119.26 123.43 3kqb h ALA 128 Ca 0.15 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 3kqb h ALA 128 Cb 0.37 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3kqb h ALA 128 CO 0.01 0.29 -0.12 0.93 0.00 0.00 0.00 179.25 180.35 3kqb h GLU 129 N 0.95 0.31 0.03 0.00 5.08 -1.05 0.29 114.58 120.20 3kqb h GLU 129 Ca 0.32 -0.16 -0.22 0.00 -1.00 0.00 0.00 59.36 58.30 3kqb h GLU 129 Cb 0.05 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 3kqb h GLU 129 CO -0.13 0.71 -0.99 0.66 -1.00 0.00 0.00 179.01 178.25 3kqb h SER 130 N -0.07 0.23 0.00 1.42 4.64 -0.58 -3.37 113.55 115.82 3kqb h SER 130 Ca 0.02 -0.21 -0.26 0.00 -0.47 0.00 0.00 61.79 60.87 3kqb h SER 130 Cb 0.65 -0.07 -0.04 0.00 -0.31 0.00 0.00 62.40 62.62 3kqb h SER 130 CO 0.03 1.09 -1.89 0.41 -0.87 0.00 0.00 176.83 175.59 3kqb n THR 131 N -3.55 0.88 -0.03 2.95 -1.04 0.19 -4.42 114.28 109.26 3kqb n THR 131 Ca -0.04 -0.25 -0.13 0.00 -2.04 0.00 0.00 64.05 61.59 3kqb n THR 131 Cb 0.89 -1.58 -0.11 0.00 -1.82 0.00 0.00 70.33 67.71 3kqb n THR 131 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3kqb h LEU 131 N -0.46 -0.01 -1.92 -4.42 3.38 -1.25 -3.27 115.31 107.36 3kqb h LEU 131 Ca -0.40 -0.67 -0.01 0.00 0.09 0.00 0.00 57.88 56.90 3kqb h LEU 131 Cb 1.39 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.14 3kqb h LEU 131 CO -0.21 0.67 -0.03 -0.03 0.09 0.00 0.00 178.44 178.93 3kqb h MET 131 N -0.69 0.00 -0.01 1.13 4.05 -0.61 -2.38 114.93 116.43 3kqb h MET 131 Ca -0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 3kqb h MET 131 Cb 0.67 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.47 3kqb h MET 131 CO 0.00 0.03 -0.18 0.25 0.23 0.00 0.00 176.91 177.23 3kqb n THR 132 N -3.16 0.00 -1.10 -0.77 -2.24 -1.25 -4.91 114.28 100.84 3kqb n THR 132 Ca -0.01 -0.15 -0.31 0.00 -2.27 0.00 0.00 64.05 61.31 3kqb n THR 132 Cb 0.24 0.37 0.11 0.00 -2.10 0.00 0.00 70.33 68.96 3kqb n THR 132 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3kqb s GLN 133 N -2.38 1.90 0.19 -0.78 -1.52 -0.90 -4.95 119.66 111.22 3kqb s GLN 133 Ca 0.28 1.27 -0.09 0.00 -1.95 0.00 0.00 55.36 54.87 3kqb s GLN 133 Cb 0.20 -1.85 0.10 0.00 -0.22 0.00 0.00 33.01 31.24 3kqb s GLN 133 CO 0.47 -1.93 1.70 1.57 -0.25 0.00 0.00 175.29 176.85 3kqb h LYS 134 N -1.34 1.09 -4.45 2.91 2.10 -1.91 -3.42 116.57 111.55 3kqb h LYS 134 Ca -0.43 -0.27 -0.20 0.00 -2.00 0.00 0.00 60.65 57.75 3kqb h LYS 134 Cb 1.24 -0.14 -0.15 0.00 -0.90 0.00 0.00 32.23 32.28 3kqb h LYS 134 CO 0.49 0.98 -0.63 0.95 -2.00 0.00 0.00 179.45 179.23 3kqb s THR 135 N -5.28 0.08 0.40 0.07 -4.23 -1.26 -0.53 115.64 104.89 3kqb s THR 135 Ca -0.12 -1.92 0.05 0.00 -1.18 0.00 0.00 61.69 58.52 3kqb s THR 135 Cb 0.14 -2.15 -0.02 0.00 1.34 0.00 0.00 72.50 71.81 3kqb s THR 135 CO 0.84 -0.35 0.17 -0.83 -0.54 0.00 0.00 174.62 173.92 3kqb s GLY 136 N -3.07 2.61 -0.09 3.99 0.00 -0.61 -4.70 107.32 105.44 3kqb s GLY 136 Ca 0.28 -1.36 0.01 0.00 0.00 0.00 0.00 44.72 43.64 3kqb s GLY 136 CO 0.04 -1.75 -0.11 -0.42 0.00 0.00 0.00 173.10 170.86 3kqb s ILE 137 N -3.24 1.13 0.02 0.90 1.01 0.19 -0.66 121.20 120.54 3kqb s ILE 137 Ca 0.26 -0.42 0.01 0.00 0.00 0.00 0.00 60.65 60.50 3kqb s ILE 137 Cb 0.02 -1.07 -0.04 0.00 0.01 0.00 0.00 42.46 41.38 3kqb s ILE 137 CO 0.18 0.37 0.06 0.54 0.00 0.00 0.00 174.94 176.08 3kqb s VAL 138 N 1.08 4.53 0.15 2.92 0.11 -0.50 -1.00 120.40 127.69 3kqb s VAL 138 Ca -0.07 -0.56 -0.03 0.00 -2.93 0.00 0.00 61.98 58.40 3kqb s VAL 138 Cb -0.14 -3.09 -0.03 0.00 -1.53 0.00 0.00 36.38 31.58 3kqb s VAL 138 CO -0.01 0.30 0.13 -0.94 -3.33 0.00 0.00 175.10 171.24 3kqb s SER 139 N -1.87 0.22 0.00 3.54 1.04 -1.08 -0.48 113.70 115.08 3kqb s SER 139 Ca 0.24 -1.14 0.00 0.00 0.48 0.00 0.00 55.95 55.52 3kqb s SER 139 Cb -0.12 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.34 3kqb s SER 139 CO 0.15 -0.79 0.00 0.61 0.98 0.00 0.00 173.24 174.19 3kqb n GLY 140 N -0.15 1.36 1.57 7.32 0.00 -0.11 -4.31 105.19 110.87 3kqb n GLY 140 Ca -0.05 -1.15 0.10 0.00 0.00 0.00 0.00 46.02 44.92 3kqb n GLY 140 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3kqb n PHE 141 N -0.98 1.44 -0.91 1.61 3.01 -1.26 -1.64 117.46 118.73 3kqb n PHE 141 Ca 0.00 -0.60 -0.30 0.00 1.01 0.00 0.00 57.45 57.56 3kqb n PHE 141 Cb 0.00 -0.22 0.25 0.00 -0.01 0.00 0.00 39.48 39.51 3kqb n PHE 141 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3kqb n GLY 142 N 1.19 -2.96 3.69 1.37 0.00 -1.26 -1.21 105.19 106.02 3kqb n GLY 142 Ca 0.26 -1.46 -0.43 0.00 0.00 0.00 0.00 46.02 44.39 3kqb n GLY 142 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kqb n ARG 143 N -4.96 2.14 0.00 1.61 1.74 -0.30 -2.75 116.66 114.14 3kqb n ARG 143 Ca 0.15 0.76 0.13 0.00 -0.77 0.00 0.00 57.85 58.11 3kqb n ARG 143 Cb 0.58 -2.38 0.35 0.00 -1.02 0.00 0.00 32.46 30.00 3kqb n ARG 143 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3kqb n THR 144 N 0.95 0.00 -3.76 0.55 -2.24 -1.26 -1.74 114.28 106.78 3kqb n THR 144 Ca 0.07 -0.04 -0.13 0.00 -2.27 0.00 0.00 64.05 61.67 3kqb n THR 144 Cb 0.35 0.20 -0.09 0.00 -2.10 0.00 0.00 70.33 68.69 3kqb n THR 144 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3kqb s HIS 145 N -2.80 -0.20 0.31 4.78 3.76 -1.26 -4.30 115.29 115.58 3kqb s HIS 145 Ca 0.17 0.33 0.07 0.00 -0.15 0.00 0.00 55.06 55.48 3kqb s HIS 145 Cb 0.18 0.10 0.84 0.00 1.11 0.00 0.00 32.58 34.81 3kqb s HIS 145 CO 0.61 -0.36 1.70 1.49 -0.85 0.00 0.00 174.74 177.32 3kqb h GLU 146 N 4.07 0.42 -4.43 1.40 4.81 -1.89 -3.09 114.58 115.87 3kqb h GLU 146 Ca -0.29 -0.03 -0.72 0.00 -0.13 0.00 0.00 59.36 58.20 3kqb h GLU 146 Cb 1.18 -0.09 -0.29 0.00 0.63 0.00 0.00 28.75 30.17 3kqb h GLU 146 CO 0.39 0.28 -0.46 0.15 -0.73 0.00 0.00 179.01 178.63 3kqb s LYS 147 N -5.82 2.52 0.08 1.92 1.02 -1.26 -4.96 119.74 113.25 3kqb s LYS 147 Ca -0.11 -1.56 -0.26 0.00 0.02 0.00 0.00 55.97 54.07 3kqb s LYS 147 Cb 0.27 -3.78 0.09 0.00 -0.52 0.00 0.00 37.83 33.88 3kqb s LYS 147 CO 0.79 -1.01 1.16 0.20 -0.92 0.00 0.00 175.35 175.57 3kqb s GLY 149 N 2.20 -0.05 0.51 -3.33 0.00 -1.17 -5.00 107.32 100.48 3kqb s GLY 149 Ca 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 44.72 44.70 3kqb s GLY 149 CO 0.01 3.44 0.74 0.50 0.00 0.00 0.00 173.10 177.78 3kqb s ARG 150 N -2.18 2.79 0.28 2.90 3.00 -1.26 -4.92 118.95 119.56 3kqb s ARG 150 Ca 0.24 -0.61 -0.30 0.00 0.00 0.00 0.00 55.73 55.06 3kqb s ARG 150 Cb -0.01 -2.50 -0.11 0.00 0.00 0.00 0.00 34.95 32.33 3kqb s ARG 150 CO 0.02 -0.52 1.51 -0.65 0.00 0.00 0.00 175.30 175.66 3kqb s GLN 151 N -4.69 4.19 0.51 3.54 -1.52 -1.26 -4.02 119.66 116.41 3kqb s GLN 151 Ca 0.53 2.46 -0.22 0.00 -1.95 0.00 0.00 55.36 56.18 3kqb s GLN 151 Cb -0.10 -3.05 -0.06 0.00 -0.22 0.00 0.00 33.01 29.58 3kqb s GLN 151 CO 0.39 -0.53 1.24 0.45 -0.25 0.00 0.00 175.29 176.59 3kqb s SER 152 N 0.35 5.68 0.05 5.90 0.15 -0.35 -4.93 113.70 120.56 3kqb s SER 152 Ca 0.60 2.48 0.23 0.00 0.70 0.00 0.00 55.95 59.97 3kqb s SER 152 Cb -0.45 -2.61 0.12 0.00 -1.71 0.00 0.00 66.02 61.37 3kqb s SER 152 CO 0.48 -1.26 1.10 0.35 1.20 0.00 0.00 173.24 175.10 3kqb n THR 153 N -0.87 0.15 -4.70 6.45 -2.24 -1.26 -4.77 114.28 107.04 3kqb n THR 153 Ca 0.09 -0.19 -0.33 0.00 -2.27 0.00 0.00 64.05 61.35 3kqb n THR 153 Cb 0.47 0.24 -0.13 0.00 -2.10 0.00 0.00 70.33 68.81 3kqb n THR 153 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3kqb s ARG 154 N -3.15 2.97 -0.02 -0.78 1.81 -1.26 -0.04 118.95 118.48 3kqb s ARG 154 Ca 0.05 -0.61 -0.30 0.00 -1.72 0.00 0.00 55.73 53.15 3kqb s ARG 154 Cb 0.15 -2.59 -0.05 0.00 -0.45 0.00 0.00 34.95 32.01 3kqb s ARG 154 CO 0.78 0.49 1.35 -1.17 -0.68 0.00 0.00 175.30 176.07 3kqb s LEU 155 N -0.34 4.30 0.31 2.53 2.96 0.35 -4.65 118.68 124.15 3kqb s LEU 155 Ca 0.04 2.02 0.09 0.00 -0.22 0.00 0.00 54.13 56.07 3kqb s LEU 155 Cb -0.12 -3.56 -0.05 0.00 0.50 0.00 0.00 46.19 42.96 3kqb s LEU 155 CO 0.02 -0.69 -0.01 -0.54 -1.32 0.00 0.00 176.35 173.81 3kqb s LYS 156 N 2.41 2.10 0.06 1.98 1.02 -0.65 -0.91 119.74 125.76 3kqb s LYS 156 Ca 0.62 -1.65 0.01 0.00 0.02 0.00 0.00 55.97 54.97 3kqb s LYS 156 Cb -0.29 -1.99 -0.03 0.00 -0.52 0.00 0.00 37.83 35.00 3kqb s LYS 156 CO 0.25 0.22 -0.06 0.00 -0.92 0.00 0.00 175.35 174.84 3kqb s MET 157 N -3.69 0.65 -0.16 1.68 0.23 0.22 -0.93 119.30 117.30 3kqb s MET 157 Ca 0.33 -1.07 -0.07 0.00 -1.03 0.00 0.00 55.69 53.85 3kqb s MET 157 Cb -0.03 -0.12 0.07 0.00 -1.53 0.00 0.00 34.83 33.23 3kqb s MET 157 CO 0.19 -0.02 0.37 -1.17 -2.03 0.00 0.00 175.02 172.36 3kqb s LEU 158 N -2.44 -0.22 -0.04 0.18 2.96 0.37 -1.02 118.68 118.47 3kqb s LEU 158 Ca 0.02 0.84 -0.30 0.00 -0.22 0.00 0.00 54.13 54.46 3kqb s LEU 158 Cb -0.00 1.19 -0.03 0.00 0.50 0.00 0.00 46.19 47.84 3kqb s LEU 158 CO -0.04 -0.21 1.19 -0.70 -1.32 0.00 0.00 176.35 175.28 3kqb s GLU 159 N 1.86 4.37 -0.10 1.98 2.12 -1.26 -1.41 118.70 126.25 3kqb s GLU 159 Ca -0.06 1.67 0.02 0.00 0.36 0.00 0.00 54.97 56.96 3kqb s GLU 159 Cb -0.10 -3.53 0.02 0.00 0.26 0.00 0.00 34.13 30.77 3kqb s GLU 159 CO -0.12 -0.41 -0.14 0.14 -0.54 0.00 0.00 175.26 174.18 3kqb s VAL 160 N 2.06 1.43 0.48 3.70 -7.23 0.16 -4.98 120.40 116.02 3kqb s VAL 160 Ca 0.56 -0.60 -0.23 0.00 -1.81 0.00 0.00 61.98 59.90 3kqb s VAL 160 Cb -0.25 -1.31 -0.07 0.00 0.56 0.00 0.00 36.38 35.31 3kqb s VAL 160 CO 0.23 0.43 1.29 -2.84 -0.31 0.00 0.00 175.10 173.89 3kqb s PRO 161 N 0.99 3.54 0.25 4.82 0.02 -1.26 -1.58 135.00 141.78 3kqb s PRO 161 Ca -0.07 2.08 -0.30 0.00 0.02 0.00 0.00 61.00 62.74 3kqb s PRO 161 Cb -0.15 -2.43 -0.09 0.00 0.02 0.00 0.00 34.50 31.85 3kqb s PRO 161 CO -0.01 -0.82 1.25 0.71 -0.33 0.00 0.00 177.00 177.79 3kqb s TYR 162 N -1.37 3.30 -0.15 6.54 2.02 0.31 -1.89 117.35 126.12 3kqb s TYR 162 Ca 0.65 1.41 -0.06 0.00 -0.37 0.00 0.00 57.07 58.70 3kqb s TYR 162 Cb -0.36 -3.53 -0.04 0.00 -0.40 0.00 0.00 41.96 37.63 3kqb s TYR 162 CO 0.44 -1.48 0.06 0.08 -1.57 0.00 0.00 175.55 173.09 3kqb s VAL 163 N -0.51 4.82 0.15 0.71 1.01 -0.91 -4.90 120.40 120.76 3kqb s VAL 163 Ca 0.51 -0.04 -0.34 0.00 0.00 0.00 0.00 61.98 62.12 3kqb s VAL 163 Cb -0.36 -3.13 -0.15 0.00 0.00 0.00 0.00 36.38 32.74 3kqb s VAL 163 CO 0.42 0.52 1.44 -0.67 0.00 0.00 0.00 175.10 176.81 3kqb n ASP 164 N 2.99 2.41 -0.31 3.32 2.03 -1.26 -4.61 116.55 121.11 3kqb n ASP 164 Ca -0.18 1.11 0.12 0.00 0.52 0.00 0.00 54.79 56.36 3kqb n ASP 164 Cb 0.53 -1.33 0.34 0.00 -0.72 0.00 0.00 41.12 39.94 3kqb n ASP 164 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 3kqb h ARG 165 N 5.02 0.74 -0.11 -0.67 2.43 -1.97 -1.37 114.38 118.44 3kqb h ARG 165 Ca -0.46 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 58.65 3kqb h ARG 165 Cb 1.29 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 30.67 3kqb h ARG 165 CO 0.82 0.49 -0.01 -0.97 -1.51 0.00 0.00 179.97 178.78 3kqb h ASN 166 N 0.76 0.21 -0.92 -3.80 -0.73 -2.00 -2.17 115.58 106.93 3kqb h ASN 166 Ca 0.50 -0.34 0.02 0.00 1.87 0.00 0.00 56.30 58.35 3kqb h ASN 166 Cb 0.76 -0.06 -0.05 0.00 0.27 0.00 0.00 38.32 39.24 3kqb h ASN 166 CO -0.26 0.50 0.61 0.28 -0.37 0.00 0.00 177.43 178.19 3kqb h SER 167 N -0.09 1.02 -0.02 1.15 0.02 -1.86 -1.38 113.55 112.40 3kqb h SER 167 Ca 0.03 -0.02 0.01 0.00 -0.84 0.00 0.00 61.79 60.97 3kqb h SER 167 Cb 0.40 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 3kqb h SER 167 CO 0.01 0.72 -0.02 0.00 -1.14 0.00 0.00 176.83 176.40 3kqb h LYS 169 N -0.03 0.83 -0.62 0.00 1.57 -1.03 -3.01 116.57 114.29 3kqb h LYS 169 Ca 0.02 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.52 3kqb h LYS 169 Cb 0.05 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 3kqb h LYS 169 CO -0.04 0.89 0.36 -0.07 -0.57 0.00 0.00 179.45 180.02 3kqb h LEU 170 N 0.68 0.74 -1.57 2.94 3.38 -1.14 -2.78 115.31 117.55 3kqb h LEU 170 Ca 0.13 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 3kqb h LEU 170 Cb 0.53 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3kqb h LEU 170 CO 0.03 0.58 -0.21 0.77 0.09 0.00 0.00 178.44 179.70 3kqb h SER 171 N 0.85 0.00 -3.04 -0.43 4.64 -1.01 -3.46 113.55 111.10 3kqb h SER 171 Ca 0.22 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.88 3kqb h SER 171 Cb -0.01 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 61.98 3kqb h SER 171 CO -0.04 0.21 -0.56 -0.55 -0.87 0.00 0.00 176.83 175.02 3kqb s SER 172 N -6.39 5.80 0.10 4.97 0.15 -1.05 -4.81 113.70 112.47 3kqb s SER 172 Ca -0.02 0.20 -0.09 0.00 0.70 0.00 0.00 55.95 56.74 3kqb s SER 172 Cb 0.13 -1.71 -0.15 0.00 -1.71 0.00 0.00 66.02 62.58 3kqb s SER 172 CO 0.64 0.29 1.26 0.28 1.20 0.00 0.00 173.24 176.91 3kqb h SER 173 N 4.23 0.74 -3.25 5.45 0.02 -1.89 -3.46 113.55 115.38 3kqb h SER 173 Ca -0.50 -0.58 -0.49 0.00 -0.84 0.00 0.00 61.79 59.38 3kqb h SER 173 Cb 1.19 -0.23 0.02 0.00 0.14 0.00 0.00 62.40 63.52 3kqb h SER 173 CO 0.62 1.38 -0.03 -0.36 -1.14 0.00 0.00 176.83 177.30 3kqb s PHE 174 N -3.35 3.53 -0.14 3.45 0.08 -1.26 -5.05 117.98 115.24 3kqb s PHE 174 Ca -0.08 0.64 -0.29 0.00 0.12 0.00 0.00 56.93 57.31 3kqb s PHE 174 Cb 0.08 -2.14 -0.02 0.00 -0.57 0.00 0.00 43.02 40.37 3kqb s PHE 174 CO 0.89 -0.07 1.28 0.42 -0.10 0.00 0.00 175.22 177.65 3kqb s ILE 175 N -2.49 4.22 -0.55 0.64 1.01 -1.26 -4.99 121.20 117.78 3kqb s ILE 175 Ca 0.44 1.49 -0.22 0.00 0.00 0.00 0.00 60.65 62.37 3kqb s ILE 175 Cb -0.10 -3.96 0.05 0.00 0.01 0.00 0.00 42.46 38.46 3kqb s ILE 175 CO 0.39 -0.11 0.82 -0.63 0.00 0.00 0.00 174.94 175.42 3kqb s ILE 176 N 3.31 4.57 0.96 2.92 -1.09 -1.26 -5.02 121.20 125.59 3kqb s ILE 176 Ca 0.56 -0.11 -0.14 0.00 -2.23 0.00 0.00 60.65 58.73 3kqb s ILE 176 Cb -0.23 -4.47 0.17 0.00 -1.58 0.00 0.00 42.46 36.35 3kqb s ILE 176 CO 0.17 -1.04 1.19 0.42 -1.23 0.00 0.00 174.94 174.44 3kqb s THR 177 N 3.45 1.93 -0.49 2.92 -4.23 -1.26 -4.95 115.64 113.01 3kqb s THR 177 Ca 0.23 0.00 0.24 0.00 -1.18 0.00 0.00 61.69 60.98 3kqb s THR 177 Cb -0.16 -2.80 0.25 0.00 1.34 0.00 0.00 72.50 71.13 3kqb s THR 177 CO 0.15 0.00 1.72 0.00 -0.54 0.00 0.00 174.62 175.95 3kqb n GLN 178 N -3.88 0.20 -0.07 3.99 6.02 -1.26 -2.05 117.38 120.33 3kqb n GLN 178 Ca 0.10 0.41 0.10 0.00 -0.01 0.00 0.00 57.00 57.60 3kqb n GLN 178 Cb 0.60 -1.87 0.39 0.00 1.02 0.00 0.00 30.24 30.38 3kqb n GLN 178 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3kqb n ASN 179 N -2.25 1.38 -4.38 1.08 3.02 -1.26 -4.89 115.26 107.97 3kqb n ASN 179 Ca 0.02 -1.67 -0.21 0.00 -0.03 0.00 0.00 54.58 52.69 3kqb n ASN 179 Cb 0.24 -0.09 -0.10 0.00 -0.61 0.00 0.00 39.78 39.22 3kqb n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3kqb s MET 180 N -1.82 1.42 0.05 3.52 -1.94 -0.87 0.15 119.30 119.82 3kqb s MET 180 Ca 0.31 -1.60 -0.06 0.00 -1.71 0.00 0.00 55.69 52.63 3kqb s MET 180 Cb 0.16 -1.38 -0.01 0.00 2.01 0.00 0.00 34.83 35.61 3kqb s MET 180 CO 0.25 0.26 0.12 -0.59 -0.01 0.00 0.00 175.02 175.04 3kqb s PHE 181 N -2.57 0.21 -0.00 -0.03 -0.12 -0.27 -4.78 117.98 110.40 3kqb s PHE 181 Ca 0.23 -0.57 -0.04 0.00 -0.05 0.00 0.00 56.93 56.51 3kqb s PHE 181 Cb -0.03 -0.14 -0.04 0.00 -0.63 0.00 0.00 43.02 42.18 3kqb s PHE 181 CO 0.09 -0.42 0.21 0.00 -0.05 0.00 0.00 175.22 175.04 3kqb s ALA 183 N -1.32 -1.27 0.00 0.00 0.00 -0.83 -2.15 121.76 116.18 3kqb s ALA 183 Ca 0.28 1.36 0.00 0.00 0.00 0.00 0.00 51.96 53.59 3kqb s ALA 183 Cb -0.13 -0.71 0.00 0.00 0.00 0.00 0.00 23.12 22.28 3kqb s ALA 183 CO 0.18 -0.25 0.00 0.41 0.00 0.00 0.00 175.76 176.10 3kqb n GLY 184 N 2.54 0.56 3.35 0.00 0.00 -0.79 -1.22 105.19 109.63 3kqb n GLY 184 Ca -0.15 -1.67 -0.28 0.00 0.00 0.00 0.00 46.02 43.93 3kqb n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kqb s TYR 185 N -2.99 2.17 -0.01 1.61 2.02 -1.26 -4.11 117.35 114.78 3kqb s TYR 185 Ca 0.00 -0.39 -0.13 0.00 -0.37 0.00 0.00 57.07 56.18 3kqb s TYR 185 Cb 0.00 -1.21 -0.33 0.00 -0.40 0.00 0.00 41.96 40.02 3kqb s TYR 185 CO 0.00 0.26 0.85 0.22 -1.57 0.00 0.00 175.55 175.30 3kqb h ASP 185 N 4.15 0.72 0.00 2.29 3.58 -1.92 -3.42 116.42 121.83 3kqb h ASP 185 Ca -0.49 -0.90 -0.20 0.00 0.42 0.00 0.00 57.03 55.86 3kqb h ASP 185 Cb 1.17 -0.24 -0.03 0.00 1.72 0.00 0.00 39.33 41.95 3kqb h ASP 185 CO 0.40 1.73 -1.57 0.35 -2.88 0.00 0.00 179.24 177.27 3kqb n THR 185 N -3.65 0.96 -1.68 2.25 -2.24 -1.26 0.34 114.28 109.00 3kqb n THR 185 Ca -0.20 -0.11 -0.50 0.00 -2.27 0.00 0.00 64.05 60.97 3kqb n THR 185 Cb 1.09 -1.77 -0.05 0.00 -2.10 0.00 0.00 70.33 67.50 3kqb n THR 185 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3kqb n LYS 186 N -3.76 1.88 -2.19 -0.78 4.81 -1.26 -4.78 118.16 112.08 3kqb n LYS 186 Ca -0.25 0.69 -0.41 0.00 -0.87 0.00 0.00 58.31 57.46 3kqb n LYS 186 Cb 0.62 -2.46 0.00 0.00 0.02 0.00 0.00 35.03 33.21 3kqb n LYS 186 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 3kqb n GLN 187 N 5.28 4.26 -3.84 1.64 6.02 -1.26 -4.59 117.38 124.89 3kqb n GLN 187 Ca 0.22 -3.58 -0.17 0.00 -0.01 0.00 0.00 57.00 53.45 3kqb n GLN 187 Cb 0.25 -2.73 -0.16 0.00 1.02 0.00 0.00 30.24 28.62 3kqb n GLN 187 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3kqb s GLU 188 N -0.78 0.17 0.16 -1.09 2.02 -1.26 -4.61 118.70 113.31 3kqb s GLU 188 Ca 0.47 0.15 -0.23 0.00 0.02 0.00 0.00 54.97 55.38 3kqb s GLU 188 Cb 0.15 -0.45 0.08 0.00 0.10 0.00 0.00 34.13 34.00 3kqb s GLU 188 CO -0.05 -0.18 1.06 0.34 0.02 0.00 0.00 175.26 176.45 3kqb s ASP 189 N 1.26 -0.01 0.79 -0.19 3.68 -0.76 -4.52 116.67 116.92 3kqb s ASP 189 Ca -0.07 -0.60 -0.12 0.00 2.13 0.00 0.00 52.55 53.90 3kqb s ASP 189 Cb -0.13 0.46 0.07 0.00 -1.45 0.00 0.00 42.92 41.86 3kqb s ASP 189 CO -0.02 -0.90 1.11 0.00 0.13 0.00 0.00 175.17 175.49 3kqb s ALA 190 N -2.24 2.39 0.31 3.66 0.00 -1.26 0.60 121.76 125.22 3kqb s ALA 190 Ca 0.22 -0.34 -0.02 0.00 0.00 0.00 0.00 51.96 51.81 3kqb s ALA 190 Cb -0.02 -3.06 0.01 0.00 0.00 0.00 0.00 23.12 20.05 3kqb s ALA 190 CO 0.04 -1.65 0.44 0.00 0.00 0.00 0.00 175.76 174.59 3kqb n GLN 192 N -0.50 1.73 0.00 0.00 7.27 -1.26 -1.36 117.38 123.26 3kqb n GLN 192 Ca 0.00 0.62 0.00 0.00 0.07 0.00 0.00 57.00 57.69 3kqb n GLN 192 Cb 0.51 -2.25 0.00 0.00 2.41 0.00 0.00 30.24 30.91 3kqb n GLN 192 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3kqb n GLY 193 N 2.34 3.44 0.15 1.69 0.00 -1.26 -1.15 105.19 110.40 3kqb n GLY 193 Ca 0.14 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.28 3kqb n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3kqb h ASP 194 N 0.00 0.00 -2.01 1.61 3.32 -1.50 -3.27 116.42 114.58 3kqb h ASP 194 Ca 0.00 -0.03 -0.64 0.00 0.02 0.00 0.00 57.03 56.38 3kqb h ASP 194 Cb 0.00 0.00 0.09 0.00 0.22 0.00 0.00 39.33 39.64 3kqb h ASP 194 CO 0.00 0.01 0.16 -1.20 -1.72 0.00 0.00 179.24 176.50 3kqb n SER 195 N -2.67 1.11 0.00 6.45 7.64 -1.26 -1.41 113.62 123.48 3kqb n SER 195 Ca 0.04 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.07 3kqb n SER 195 Cb 0.49 -1.21 0.00 0.00 -1.01 0.00 0.00 64.21 62.48 3kqb n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kqb n GLY 196 N 1.78 2.75 3.72 0.23 0.00 0.10 0.37 105.19 114.13 3kqb n GLY 196 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 3kqb n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kqb s GLY 197 N -1.71 1.63 0.29 -0.02 0.00 -0.50 -3.11 107.32 103.90 3kqb s GLY 197 Ca 0.00 -0.87 -0.28 0.00 0.00 0.00 0.00 44.72 43.58 3kqb s GLY 197 CO 0.00 -0.10 0.96 -4.14 0.00 0.00 0.00 173.10 169.81 3kqb s PRO 198 N -5.46 4.67 -0.24 2.90 0.02 -1.26 -2.12 135.00 133.51 3kqb s PRO 198 Ca 0.70 1.42 0.02 0.00 0.02 0.00 0.00 61.00 63.16 3kqb s PRO 198 Cb -0.10 -2.99 0.05 0.00 0.02 0.00 0.00 34.50 31.49 3kqb s PRO 198 CO 0.55 0.34 -0.12 -1.58 -0.33 0.00 0.00 177.00 175.87 3kqb s HIS 199 N -1.43 3.03 0.11 6.54 2.46 -0.56 -2.62 115.29 122.81 3kqb s HIS 199 Ca 0.47 -2.10 0.08 0.00 0.47 0.00 0.00 55.06 53.98 3kqb s HIS 199 Cb -0.22 -1.86 -0.04 0.00 -0.13 0.00 0.00 32.58 30.32 3kqb s HIS 199 CO 0.28 -0.85 -0.16 0.14 -2.47 0.00 0.00 174.74 171.68 3kqb s VAL 200 N 1.19 2.98 -0.11 0.89 -7.23 -0.17 -0.86 120.40 117.08 3kqb s VAL 200 Ca -0.06 -1.42 0.04 0.00 -1.81 0.00 0.00 61.98 58.72 3kqb s VAL 200 Cb -0.19 -2.37 0.00 0.00 0.56 0.00 0.00 36.38 34.39 3kqb s VAL 200 CO -0.07 0.12 -0.23 -0.89 -0.31 0.00 0.00 175.10 173.72 3kqb s THR 201 N -1.15 2.01 0.04 5.32 2.01 -0.25 0.56 115.64 124.18 3kqb s THR 201 Ca 0.19 -0.99 -0.26 0.00 0.31 0.00 0.00 61.69 60.94 3kqb s THR 201 Cb -0.11 -1.75 -0.05 0.00 0.01 0.00 0.00 72.50 70.60 3kqb s THR 201 CO 0.11 0.55 0.81 -0.60 -0.69 0.00 0.00 174.62 174.80 3kqb s ARG 202 N 0.44 4.53 -0.16 4.92 3.52 -1.26 -1.37 118.95 129.57 3kqb s ARG 202 Ca -0.17 1.14 -0.04 0.00 -0.13 0.00 0.00 55.73 56.54 3kqb s ARG 202 Cb -0.17 -3.38 0.05 0.00 -1.56 0.00 0.00 34.95 29.89 3kqb s ARG 202 CO 0.07 0.22 0.07 0.12 -0.81 0.00 0.00 175.30 174.96 3kqb s PHE 203 N 0.15 0.44 -1.28 5.12 5.36 0.66 -4.90 117.98 123.53 3kqb s PHE 203 Ca 0.41 -0.40 -0.10 0.00 -0.96 0.00 0.00 56.93 55.89 3kqb s PHE 203 Cb -0.21 -0.77 -0.00 0.00 -0.34 0.00 0.00 43.02 41.70 3kqb s PHE 203 CO 0.24 -0.49 0.61 1.63 -1.46 0.00 0.00 175.22 175.74 3kqb n LYS 204 N 5.21 -2.51 -1.16 10.12 5.02 -1.26 -1.70 118.16 131.89 3kqb n LYS 204 Ca -0.07 0.44 -0.05 0.00 -2.02 0.00 0.00 58.31 56.60 3kqb n LYS 204 Cb 0.49 -4.36 -0.02 0.00 -0.02 0.00 0.00 35.03 31.11 3kqb n LYS 204 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3kqb n ASP 205 N -2.84 -4.79 -4.18 4.39 8.00 -1.26 -4.99 116.55 110.88 3kqb n ASP 205 Ca -0.21 0.13 -0.31 0.00 0.71 0.00 0.00 54.79 55.11 3kqb n ASP 205 Cb 0.64 -2.77 -0.17 0.00 -0.02 0.00 0.00 41.12 38.80 3kqb n ASP 205 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3kqb s THR 206 N -1.82 1.87 -0.27 -3.53 2.01 -0.69 -5.11 115.64 108.10 3kqb s THR 206 Ca 0.00 -0.91 -0.11 0.00 0.31 0.00 0.00 61.69 60.98 3kqb s THR 206 Cb 0.00 -1.63 -0.05 0.00 0.01 0.00 0.00 72.50 70.83 3kqb s THR 206 CO 0.00 0.52 0.20 -0.31 -0.69 0.00 0.00 174.62 174.34 3kqb s TYR 207 N 0.43 3.24 -0.09 4.92 1.51 -1.26 -0.25 117.35 125.85 3kqb s TYR 207 Ca -0.17 0.17 -0.00 0.00 -1.01 0.00 0.00 57.07 56.05 3kqb s TYR 207 Cb -0.17 -2.38 -0.03 0.00 -0.11 0.00 0.00 41.96 39.27 3kqb s TYR 207 CO 0.07 -0.12 -0.06 -0.06 -1.11 0.00 0.00 175.55 174.27 3kqb s PHE 208 N 1.66 2.96 -0.18 2.71 0.40 -0.47 -1.98 117.98 123.08 3kqb s PHE 208 Ca 0.08 -0.08 -0.29 0.00 -0.60 0.00 0.00 56.93 56.04 3kqb s PHE 208 Cb -0.16 -1.77 -0.01 0.00 0.51 0.00 0.00 43.02 41.59 3kqb s PHE 208 CO 0.10 0.23 1.24 0.54 0.70 0.00 0.00 175.22 178.03 3kqb s VAL 209 N -0.50 4.31 -0.02 -0.44 0.11 0.16 -1.09 120.40 122.93 3kqb s VAL 209 Ca 0.07 1.58 0.05 0.00 -2.93 0.00 0.00 61.98 60.75 3kqb s VAL 209 Cb -0.12 -4.03 -0.07 0.00 -1.53 0.00 0.00 36.38 30.63 3kqb s VAL 209 CO 0.02 -0.15 0.08 0.35 -3.33 0.00 0.00 175.10 172.06 3kqb n THR 210 N 5.40 0.13 -3.93 5.04 -2.24 -0.04 -4.55 114.28 114.08 3kqb n THR 210 Ca 0.14 -0.15 -0.09 0.00 -2.27 0.00 0.00 64.05 61.67 3kqb n THR 210 Cb 0.45 -0.10 -0.07 0.00 -2.10 0.00 0.00 70.33 68.51 3kqb n THR 210 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3kqb s GLY 211 N -2.98 0.39 -0.17 3.38 0.00 -0.42 -2.09 107.32 105.43 3kqb s GLY 211 Ca -0.02 -0.80 0.01 0.00 0.00 0.00 0.00 44.72 43.91 3kqb s GLY 211 CO 0.21 -0.79 -0.18 -0.42 0.00 0.00 0.00 173.10 171.92 3kqb s ILE 212 N -3.95 1.93 -0.19 0.90 1.01 -0.96 -1.49 121.20 118.45 3kqb s ILE 212 Ca 0.15 -0.86 -0.36 0.00 0.00 0.00 0.00 60.65 59.58 3kqb s ILE 212 Cb 0.03 -1.76 -0.13 0.00 0.01 0.00 0.00 42.46 40.62 3kqb s ILE 212 CO -0.02 0.52 1.90 0.52 0.00 0.00 0.00 174.94 177.86 3kqb n VAL 213 N 4.65 0.44 -0.02 2.92 0.31 -0.90 -0.73 118.33 125.00 3kqb n VAL 213 Ca -0.20 -0.12 -0.03 0.00 -0.01 0.00 0.00 64.34 63.98 3kqb n VAL 213 Cb 0.50 -1.67 -0.01 0.00 -0.91 0.00 0.00 33.84 31.75 3kqb n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3kqb n SER 214 N 6.87 0.80 -3.18 4.52 2.88 0.05 -0.72 113.62 124.84 3kqb n SER 214 Ca 0.27 0.13 -0.07 0.00 -1.33 0.00 0.00 58.87 57.86 3kqb n SER 214 Cb 0.24 -0.45 0.02 0.00 -0.75 0.00 0.00 64.21 63.26 3kqb n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 3kqb s TRP 215 N -1.77 0.06 -0.06 0.66 1.48 -0.60 -4.88 118.94 113.83 3kqb s TRP 215 Ca -0.09 -0.63 -0.31 0.00 -1.06 0.00 0.00 56.10 54.02 3kqb s TRP 215 Cb 0.01 0.78 0.11 0.00 -1.16 0.00 0.00 33.47 33.22 3kqb s TRP 215 CO 0.13 -1.35 1.04 0.20 -4.06 0.00 0.00 176.95 172.92 3kqb s GLY 216 N -3.12 -0.38 -0.66 3.67 0.00 -1.26 -0.21 107.32 105.36 3kqb s GLY 216 Ca 0.16 1.11 -0.21 0.00 0.00 0.00 0.00 44.72 45.78 3kqb s GLY 216 CO 0.09 0.35 0.88 -0.54 0.00 0.00 0.00 173.10 173.88 3kqb s GLU 217 N -2.83 3.14 2.92 2.90 2.02 -1.26 -4.87 118.70 120.71 3kqb s GLU 217 Ca 0.08 -1.13 0.00 0.00 0.02 0.00 0.00 54.97 53.94 3kqb s GLU 217 Cb -0.01 -4.31 0.00 0.00 0.10 0.00 0.00 34.13 29.91 3kqb s GLU 217 CO -0.06 -1.70 0.00 0.41 0.02 0.00 0.00 175.26 173.93 3kqb n GLY 218 N 5.31 0.19 2.90 -1.39 0.00 -1.26 -4.62 105.19 106.31 3kqb n GLY 218 Ca -0.03 -0.94 -0.18 0.00 0.00 0.00 0.00 46.02 44.87 3kqb n GLY 218 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqb n ALA 221 N 3.66 -0.23 -1.85 0.00 0.00 -1.26 -4.64 120.51 116.18 3kqb n ALA 221 Ca -0.21 0.24 -0.41 0.00 0.00 0.00 0.00 53.44 53.06 3kqb n ALA 221 Cb 0.53 -1.83 -0.02 0.00 0.00 0.00 0.00 19.45 18.13 3kqb n ALA 221 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3kqb s ARG 222 N -3.25 4.25 0.31 0.00 0.52 -1.26 -4.48 118.95 115.04 3kqb s ARG 222 Ca 0.00 2.34 -0.29 0.00 -0.52 0.00 0.00 55.73 57.26 3kqb s ARG 222 Cb 0.00 -3.09 -0.12 0.00 0.52 0.00 0.00 34.95 32.26 3kqb s ARG 222 CO 0.00 -0.44 1.50 1.63 0.02 0.00 0.00 175.30 178.00 3kqb n LYS 223 N 2.19 2.50 -0.87 3.54 4.01 -1.26 -1.89 118.16 126.39 3kqb n LYS 223 Ca 0.06 0.88 0.00 0.00 -0.51 0.00 0.00 58.31 58.75 3kqb n LYS 223 Cb 0.40 -2.60 0.00 0.00 -0.51 0.00 0.00 35.03 32.31 3kqb n LYS 223 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3kqb n GLY 223 N 1.58 0.64 3.58 0.72 0.00 0.15 -5.00 105.19 106.87 3kqb n GLY 223 Ca 0.07 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.84 3kqb n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kqb s LYS 224 N -0.36 1.96 0.15 1.61 -0.14 -0.79 -4.76 119.74 117.41 3kqb s LYS 224 Ca 0.00 -1.80 -0.01 0.00 -1.36 0.00 0.00 55.97 52.81 3kqb s LYS 224 Cb 0.00 -1.85 -0.04 0.00 -1.68 0.00 0.00 37.83 34.26 3kqb s LYS 224 CO 0.00 0.17 0.06 0.71 -0.76 0.00 0.00 175.35 175.53 3kqb s TYR 225 N -2.54 0.95 0.19 3.18 2.02 -1.26 -4.55 117.35 115.34 3kqb s TYR 225 Ca 0.33 -1.22 -0.30 0.00 -0.37 0.00 0.00 57.07 55.51 3kqb s TYR 225 Cb -0.00 -0.53 -0.08 0.00 -0.40 0.00 0.00 41.96 40.95 3kqb s TYR 225 CO 0.18 -0.48 1.05 0.20 -1.57 0.00 0.00 175.55 174.92 3kqb s GLY 226 N -3.08 2.95 -0.16 0.71 0.00 -0.36 -4.52 107.32 102.86 3kqb s GLY 226 Ca 0.26 0.74 -0.03 0.00 0.00 0.00 0.00 44.72 45.69 3kqb s GLY 226 CO 0.03 1.52 -0.04 -0.42 0.00 0.00 0.00 173.10 174.19 3kqb s ILE 227 N -0.45 3.79 0.12 0.90 -1.09 0.71 -1.97 121.20 123.21 3kqb s ILE 227 Ca 0.47 -0.39 0.11 0.00 -2.23 0.00 0.00 60.65 58.60 3kqb s ILE 227 Cb -0.28 -2.66 -0.04 0.00 -1.58 0.00 0.00 42.46 37.90 3kqb s ILE 227 CO 0.34 0.49 -0.27 -0.31 -1.23 0.00 0.00 174.94 173.96 3kqb s TYR 228 N 0.47 2.28 -0.01 3.97 1.51 -0.37 -0.77 117.35 124.43 3kqb s TYR 228 Ca -0.04 -0.39 -0.30 0.00 -1.01 0.00 0.00 57.07 55.33 3kqb s TYR 228 Cb -0.14 -1.25 -0.03 0.00 -0.11 0.00 0.00 41.96 40.42 3kqb s TYR 228 CO 0.03 0.30 1.08 0.99 -1.11 0.00 0.00 175.55 176.84 3kqb s THR 229 N -1.03 4.54 -0.53 -0.71 2.01 0.09 -1.12 115.64 118.90 3kqb s THR 229 Ca 0.13 1.83 -0.28 0.00 0.31 0.00 0.00 61.69 63.68 3kqb s THR 229 Cb -0.10 -4.17 0.02 0.00 0.01 0.00 0.00 72.50 68.25 3kqb s THR 229 CO 0.05 0.10 1.37 -0.75 -0.69 0.00 0.00 174.62 174.70 3kqb s LYS 230 N 1.38 3.41 0.32 4.92 2.20 0.12 -2.28 119.74 129.81 3kqb s LYS 230 Ca 0.54 0.54 0.02 0.00 -0.36 0.00 0.00 55.97 56.71 3kqb s LYS 230 Cb -0.23 -4.08 0.58 0.00 -1.51 0.00 0.00 37.83 32.59 3kqb s LYS 230 CO 0.26 -1.79 1.93 0.28 -0.36 0.00 0.00 175.35 175.66 3kqb h VAL 231 N 6.36 1.06 -0.86 4.02 2.07 -1.74 -2.74 116.25 124.42 3kqb h VAL 231 Ca -0.26 -0.33 0.13 0.00 0.82 0.00 0.00 66.70 67.05 3kqb h VAL 231 Cb 1.09 0.01 -0.06 0.00 -1.52 0.00 0.00 31.29 30.81 3kqb h VAL 231 CO 1.16 0.18 0.56 0.71 0.02 0.00 0.00 177.57 180.19 3kqb h THR 232 N 0.96 0.87 0.00 2.57 1.35 -1.90 -1.05 112.91 115.72 3kqb h THR 232 Ca 0.37 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.98 3kqb h THR 232 Cb 0.20 0.10 0.00 0.00 -1.73 0.00 0.00 68.15 66.73 3kqb h THR 232 CO -0.13 0.13 0.00 0.00 -0.25 0.00 0.00 175.52 175.27 3kqb n ALA 233 N -2.44 1.39 -1.17 6.62 0.00 -1.03 -3.36 120.51 120.51 3kqb n ALA 233 Ca 0.16 0.05 0.03 0.00 0.00 0.00 0.00 53.44 53.68 3kqb n ALA 233 Cb 0.42 -1.24 0.05 0.00 0.00 0.00 0.00 19.45 18.68 3kqb n ALA 233 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3kqb n PHE 234 N -1.85 0.00 -0.29 0.00 3.72 -0.41 -4.90 117.46 113.73 3kqb n PHE 234 Ca 0.01 -0.42 0.01 0.00 -0.05 0.00 0.00 57.45 57.00 3kqb n PHE 234 Cb 0.12 -0.08 0.14 0.00 -0.94 0.00 0.00 39.48 38.72 3kqb n PHE 234 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 3kqb h LEU 235 N 0.00 0.77 -0.32 4.37 3.38 -1.54 0.40 115.31 122.36 3kqb h LEU 235 Ca 0.00 0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.85 3kqb h LEU 235 Cb 1.04 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.65 3kqb h LEU 235 CO 0.00 0.49 -0.35 0.11 0.09 0.00 0.00 178.44 178.78 3kqb h LYS 236 N 0.90 0.80 -0.74 1.13 1.57 -1.90 0.28 116.57 118.61 3kqb h LYS 236 Ca 0.37 -0.43 -0.06 0.00 -1.87 0.00 0.00 60.65 58.65 3kqb h LYS 236 Cb 0.20 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.50 3kqb h LYS 236 CO -0.18 1.07 0.24 2.35 -0.57 0.00 0.00 179.45 182.35 3kqb h TRP 237 N 0.57 1.19 -0.00 -1.35 7.01 -1.82 0.15 115.95 121.70 3kqb h TRP 237 Ca 0.05 -0.12 -0.00 0.00 2.11 0.00 0.00 58.89 60.93 3kqb h TRP 237 Cb 0.93 -0.35 -0.00 0.00 -2.10 0.00 0.00 29.16 27.65 3kqb h TRP 237 CO 0.07 0.93 0.00 0.82 -2.79 0.00 0.00 178.44 177.47 3kqb h ILE 238 N 1.10 1.24 -0.20 2.65 2.04 -0.02 -1.54 117.51 122.78 3kqb h ILE 238 Ca 0.24 -0.70 0.04 0.00 1.00 0.00 0.00 64.86 65.44 3kqb h ILE 238 Cb 0.30 1.71 -0.04 0.00 -0.74 0.00 0.00 36.82 38.04 3kqb h ILE 238 CO -0.01 0.18 -0.05 -0.78 0.00 0.00 0.00 178.15 177.49 3kqb h ASP 239 N -0.29 -0.19 -0.32 1.72 1.82 -0.26 -2.47 116.42 116.42 3kqb h ASP 239 Ca 0.00 0.06 0.06 0.00 -0.39 0.00 0.00 57.03 56.77 3kqb h ASP 239 Cb 0.30 0.13 -0.06 0.00 0.68 0.00 0.00 39.33 40.37 3kqb h ASP 239 CO 0.00 -0.07 -0.07 0.03 -1.61 0.00 0.00 179.24 177.52 3kqb h ARG 240 N -0.00 0.01 -0.44 0.28 3.08 -0.70 -1.93 114.38 114.67 3kqb h ARG 240 Ca 0.10 -0.00 0.13 0.00 0.07 0.00 0.00 59.98 60.27 3kqb h ARG 240 Cb 0.15 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 3kqb h ARG 240 CO -0.21 0.01 0.32 0.77 -1.07 0.00 0.00 179.97 179.79 3kqb h SER 241 N 0.01 0.01 0.96 7.04 0.02 -0.84 -1.69 113.55 119.06 3kqb h SER 241 Ca 0.16 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 3kqb h SER 241 Cb 0.23 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.77 3kqb h SER 241 CO -0.33 0.00 -0.15 0.23 -1.14 0.00 0.00 176.83 175.45 3kqb n MET 242 N -4.41 0.06 0.11 3.45 2.81 -0.73 -3.18 117.12 115.24 3kqb n MET 242 Ca 0.08 0.04 0.12 0.00 -1.81 0.00 0.00 57.70 56.13 3kqb n MET 242 Cb 0.52 -1.56 0.16 0.00 -0.71 0.00 0.00 33.22 31.63 3kqb n MET 242 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 3kqb h LYS 243 N 0.00 0.00 -0.00 0.03 1.57 -1.26 -3.52 116.57 113.39 3kqb h LYS 243 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3kqb h LYS 243 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 3kqb h LYS 243 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 179.45 179.13