#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kqc s VAL 17 N 0.00 5.32 0.00 1.39 1.01 0.64 -3.97 120.40 124.79 3kqc s VAL 17 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.23 3kqc s VAL 17 Cb 0.00 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.84 3kqc s VAL 17 CO 0.00 0.30 0.00 0.61 0.00 0.00 0.00 175.10 176.01 3kqc n GLY 18 N 4.47 -0.23 7.00 4.51 0.00 -1.26 -1.93 105.19 117.75 3kqc n GLY 18 Ca -0.14 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.83 3kqc n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kqc n GLY 19 N 0.00 -0.14 3.04 -0.02 0.00 -1.26 -4.89 105.19 101.92 3kqc n GLY 19 Ca 0.00 -1.01 -0.09 0.00 0.00 0.00 0.00 46.02 44.93 3kqc n GLY 19 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kqc s GLN 20 N 0.00 0.48 0.44 1.61 -0.21 0.20 -4.98 119.66 117.21 3kqc s GLN 20 Ca 0.00 -0.91 -0.25 0.00 0.02 0.00 0.00 55.36 54.22 3kqc s GLN 20 Cb 0.00 0.11 -0.08 0.00 1.00 0.00 0.00 33.01 34.04 3kqc s GLN 20 CO 0.00 -0.07 1.34 -2.00 -2.12 0.00 0.00 175.29 172.45 3kqc s GLU 21 N -2.62 3.75 -0.23 2.91 2.12 -1.26 0.24 118.70 123.62 3kqc s GLU 21 Ca -0.05 2.23 -0.29 0.00 0.36 0.00 0.00 54.97 57.23 3kqc s GLU 21 Cb -0.02 -2.64 -0.01 0.00 0.26 0.00 0.00 34.13 31.73 3kqc s GLU 21 CO -0.05 -0.70 1.27 0.00 -0.54 0.00 0.00 175.26 175.25 3kqc s LYS 23 N 3.80 1.63 -0.19 0.00 -0.14 -1.26 -4.89 119.74 118.70 3kqc s LYS 23 Ca 0.55 -0.20 -0.37 0.00 -1.36 0.00 0.00 55.97 54.59 3kqc s LYS 23 Cb -0.19 -2.00 -0.14 0.00 -1.68 0.00 0.00 37.83 33.82 3kqc s LYS 23 CO 0.18 -1.73 1.80 -3.47 -0.76 0.00 0.00 175.35 171.37 3kqc n ASP 24 N -3.32 2.87 0.00 2.83 4.64 -1.26 -1.66 116.55 120.65 3kqc n ASP 24 Ca 0.10 1.03 0.00 0.00 -1.38 0.00 0.00 54.79 54.54 3kqc n ASP 24 Cb 0.60 -1.25 0.00 0.00 -1.04 0.00 0.00 41.12 39.44 3kqc n ASP 24 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3kqc n GLY 25 N 4.27 0.77 0.11 0.27 0.00 -1.26 -4.92 105.19 104.44 3kqc n GLY 25 Ca 0.25 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.16 3kqc n GLY 25 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3kqc h GLU 26 N 2.20 0.20 -1.85 1.61 5.08 -1.67 -3.38 114.58 116.77 3kqc h GLU 26 Ca 0.00 -0.26 -0.52 0.00 -1.00 0.00 0.00 59.36 57.58 3kqc h GLU 26 Cb 0.03 0.09 -0.41 0.00 0.50 0.00 0.00 28.75 28.95 3kqc h GLU 26 CO 0.00 1.04 -0.91 0.00 -1.00 0.00 0.00 179.01 178.14 3kqc n PRO 28 N -0.11 0.12 0.00 0.00 -0.04 -1.26 -2.59 135.00 131.11 3kqc n PRO 28 Ca 0.27 0.36 0.14 0.00 -0.04 0.00 0.00 63.50 64.23 3kqc n PRO 28 Cb 0.59 -1.73 0.55 0.00 -0.04 0.00 0.00 33.50 32.87 3kqc n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 3kqc n TRP 29 N -1.96 0.00 -2.36 0.54 2.14 -1.09 -2.13 117.44 112.59 3kqc n TRP 29 Ca 0.03 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.18 3kqc n TRP 29 Cb 0.20 -0.11 -0.03 0.00 -0.81 0.00 0.00 31.31 30.56 3kqc n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 3kqc s GLN 30 N -2.35 4.42 0.15 -2.67 2.00 -1.07 -0.35 119.66 119.80 3kqc s GLN 30 Ca 0.31 1.86 0.10 0.00 -2.00 0.00 0.00 55.36 55.63 3kqc s GLN 30 Cb 0.20 -3.30 -0.04 0.00 0.80 0.00 0.00 33.01 30.67 3kqc s GLN 30 CO 0.45 -0.25 -0.23 0.00 -0.50 0.00 0.00 175.29 174.76 3kqc s ALA 31 N 0.78 2.27 -0.12 1.58 0.00 -0.40 -4.34 121.76 121.54 3kqc s ALA 31 Ca 0.58 -1.49 0.02 0.00 0.00 0.00 0.00 51.96 51.07 3kqc s ALA 31 Cb -0.32 -0.31 0.01 0.00 0.00 0.00 0.00 23.12 22.51 3kqc s ALA 31 CO 0.31 0.42 -0.17 -1.17 0.00 0.00 0.00 175.76 175.15 3kqc s LEU 32 N -2.34 1.84 -0.10 0.00 2.96 0.49 -1.29 118.68 120.23 3kqc s LEU 32 Ca 0.15 -0.48 -0.25 0.00 -0.22 0.00 0.00 54.13 53.33 3kqc s LEU 32 Cb -0.09 -1.19 -0.03 0.00 0.50 0.00 0.00 46.19 45.38 3kqc s LEU 32 CO 0.07 0.04 0.79 -0.76 -1.32 0.00 0.00 176.35 175.17 3kqc s LEU 33 N 0.93 4.26 -0.07 -0.68 1.43 0.29 0.23 118.68 125.07 3kqc s LEU 33 Ca -0.07 1.24 0.05 0.00 -1.03 0.00 0.00 54.13 54.33 3kqc s LEU 33 Cb -0.15 -3.21 -0.01 0.00 0.03 0.00 0.00 46.19 42.85 3kqc s LEU 33 CO -0.02 -0.26 -0.23 0.27 0.23 0.00 0.00 176.35 176.34 3kqc s ILE 34 N 1.41 1.95 0.51 -0.59 -4.36 -0.11 -1.58 121.20 118.43 3kqc s ILE 34 Ca 0.40 -0.99 -0.09 0.00 -0.26 0.00 0.00 60.65 59.71 3kqc s ILE 34 Cb -0.18 -1.66 0.12 0.00 1.25 0.00 0.00 42.46 41.99 3kqc s ILE 34 CO 0.17 0.54 0.66 -0.46 0.24 0.00 0.00 174.94 176.09 3kqc n ASN 35 N 3.17 -0.11 -0.16 4.36 0.23 -0.83 -1.13 115.26 120.80 3kqc n ASN 35 Ca -0.18 -1.20 0.12 0.00 -0.53 0.00 0.00 54.58 52.79 3kqc n ASN 35 Cb 0.52 -0.51 0.46 0.00 -2.08 0.00 0.00 39.78 38.17 3kqc n ASN 35 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 3kqc h GLU 36 N 0.00 0.50 0.00 -3.83 9.09 -1.91 -0.88 114.58 117.55 3kqc h GLU 36 Ca -0.22 -0.03 0.00 0.00 0.05 0.00 0.00 59.36 59.16 3kqc h GLU 36 Cb 0.60 -0.11 0.00 0.00 -1.65 0.00 0.00 28.75 27.59 3kqc h GLU 36 CO 0.15 0.33 0.00 0.39 0.05 0.00 0.00 179.01 179.93 3kqc n GLU 37 N -4.49 0.89 -2.20 1.06 1.02 -1.26 -4.90 120.64 110.77 3kqc n GLU 37 Ca 0.13 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 57.06 3kqc n GLU 37 Cb 0.42 -1.19 -0.03 0.00 -0.02 0.00 0.00 31.44 30.62 3kqc n GLU 37 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3kqc n ASN 38 N -0.69 -5.85 -4.65 1.62 5.15 -0.33 -5.01 115.26 105.50 3kqc n ASN 38 Ca 0.08 0.12 -0.35 0.00 -0.60 0.00 0.00 54.58 53.83 3kqc n ASN 38 Cb 0.04 -4.94 -0.09 0.00 -0.53 0.00 0.00 39.78 34.26 3kqc n ASN 38 CO 0.00 0.00 0.00 -1.83 1.40 0.00 0.00 177.26 176.83 3kqc s GLU 39 N -4.73 3.76 0.20 1.20 -1.05 -1.26 -4.86 118.70 111.97 3kqc s GLU 39 Ca 0.00 -0.35 -0.30 0.00 -0.15 0.00 0.00 54.97 54.17 3kqc s GLU 39 Cb 0.00 -3.13 -0.09 0.00 -0.44 0.00 0.00 34.13 30.47 3kqc s GLU 39 CO 0.00 0.38 1.41 0.20 0.95 0.00 0.00 175.26 178.21 3kqc s GLY 40 N 0.05 2.20 0.00 -3.83 0.00 -1.26 -1.96 107.32 102.52 3kqc s GLY 40 Ca 0.05 1.24 0.00 0.00 0.00 0.00 0.00 44.72 46.01 3kqc s GLY 40 CO 0.01 2.28 0.00 1.97 0.00 0.00 0.00 173.10 177.36 3kqc n PHE 41 N 2.89 0.00 -3.89 1.90 1.16 -0.61 -4.97 117.46 113.94 3kqc n PHE 41 Ca 0.08 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.57 3kqc n PHE 41 Cb 0.41 0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 38.21 3kqc n PHE 41 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3kqc n GLY 43 N -0.18 2.02 3.73 0.00 0.00 0.96 -0.55 105.19 111.19 3kqc n GLY 43 Ca -0.11 -2.22 -0.08 0.00 0.00 0.00 0.00 46.02 43.62 3kqc n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kqc s GLY 44 N -4.35 -0.24 -0.09 -0.02 0.00 -0.42 -3.56 107.32 98.65 3kqc s GLY 44 Ca 0.53 -0.01 0.04 0.00 0.00 0.00 0.00 44.72 45.28 3kqc s GLY 44 CO 0.34 -0.00 -0.22 -1.59 0.00 0.00 0.00 173.10 171.62 3kqc s THR 45 N -3.75 1.89 -0.20 0.90 2.01 0.89 -1.27 115.64 116.11 3kqc s THR 45 Ca 0.09 -0.93 -0.29 0.00 0.31 0.00 0.00 61.69 60.87 3kqc s THR 45 Cb -0.04 -1.63 -0.01 0.00 0.01 0.00 0.00 72.50 70.82 3kqc s THR 45 CO 0.01 0.52 1.33 -0.63 -0.69 0.00 0.00 174.62 175.17 3kqc s ILE 46 N 0.31 4.15 -0.18 1.82 1.01 0.53 -0.30 121.20 128.54 3kqc s ILE 46 Ca -0.16 1.36 0.15 0.00 0.00 0.00 0.00 60.65 62.00 3kqc s ILE 46 Cb -0.17 -3.98 -0.24 0.00 0.01 0.00 0.00 42.46 38.08 3kqc s ILE 46 CO 0.07 -0.23 0.14 0.18 0.00 0.00 0.00 174.94 175.10 3kqc n LEU 47 N 7.07 0.50 0.00 2.97 4.77 -0.36 -1.08 117.00 130.86 3kqc n LEU 47 Ca 0.15 0.06 -0.05 0.00 -0.03 0.00 0.00 56.01 56.14 3kqc n LEU 47 Cb 0.45 0.27 0.02 0.00 -2.33 0.00 0.00 43.42 41.83 3kqc n LEU 47 CO 0.59 0.53 0.49 -1.54 -1.33 0.00 0.00 177.39 176.13 3kqc n SER 48 N -2.86 -1.52 0.24 -1.43 3.41 -1.16 -4.68 113.62 105.61 3kqc n SER 48 Ca -0.32 -1.95 0.08 0.00 -0.26 0.00 0.00 58.87 56.42 3kqc n SER 48 Cb 1.12 2.51 0.61 0.00 -0.26 0.00 0.00 64.21 68.19 3kqc n SER 48 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 3kqc h GLU 49 N 0.00 0.00 -0.00 4.33 4.11 -1.98 -3.10 114.58 117.94 3kqc h GLU 49 Ca -0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.20 3kqc h GLU 49 Cb 0.90 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.15 3kqc h GLU 49 CO 0.29 0.15 -0.60 1.19 0.07 0.00 0.00 179.01 180.12 3kqc n PHE 50 N -4.06 0.00 -4.90 2.06 3.72 -1.26 -0.09 117.46 112.93 3kqc n PHE 50 Ca -0.02 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.11 3kqc n PHE 50 Cb 0.23 0.00 -0.16 0.00 -0.94 0.00 0.00 39.48 38.61 3kqc n PHE 50 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 3kqc s TYR 51 N -2.27 1.77 -0.06 1.38 2.02 -1.17 -0.31 117.35 118.70 3kqc s TYR 51 Ca 0.08 -0.46 0.06 0.00 -0.37 0.00 0.00 57.07 56.38 3kqc s TYR 51 Cb 0.12 -1.17 -0.01 0.00 -0.40 0.00 0.00 41.96 40.50 3kqc s TYR 51 CO 0.56 -0.13 -0.24 0.42 -1.57 0.00 0.00 175.55 174.59 3kqc s ILE 52 N -0.12 2.15 -0.16 2.71 -1.09 -0.25 -1.22 121.20 123.21 3kqc s ILE 52 Ca -0.00 -1.03 -0.11 0.00 -2.23 0.00 0.00 60.65 57.28 3kqc s ILE 52 Cb -0.10 -1.78 -0.05 0.00 -1.58 0.00 0.00 42.46 38.94 3kqc s ILE 52 CO 0.01 0.57 0.19 -0.22 -1.23 0.00 0.00 174.94 174.27 3kqc s LEU 53 N -0.19 4.27 0.00 2.97 2.96 0.58 -0.14 118.68 129.13 3kqc s LEU 53 Ca -0.03 0.40 0.00 0.00 -0.22 0.00 0.00 54.13 54.29 3kqc s LEU 53 Cb -0.14 -2.19 -0.00 0.00 0.50 0.00 0.00 46.19 44.36 3kqc s LEU 53 CO 0.03 0.22 0.13 1.07 -1.32 0.00 0.00 176.35 176.48 3kqc n THR 54 N 3.10 0.00 -3.60 3.68 5.66 -0.24 -0.08 114.28 122.81 3kqc n THR 54 Ca -0.16 -0.62 -0.38 0.00 -3.05 0.00 0.00 64.05 59.85 3kqc n THR 54 Cb 0.53 0.35 -0.06 0.00 -1.55 0.00 0.00 70.33 69.60 3kqc n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3kqc s ALA 55 N -2.10 3.74 0.26 1.79 0.00 -1.26 -1.07 121.76 123.12 3kqc s ALA 55 Ca 0.10 -0.33 -0.03 0.00 0.00 0.00 0.00 51.96 51.70 3kqc s ALA 55 Cb -0.00 -2.28 0.38 0.00 0.00 0.00 0.00 23.12 21.22 3kqc s ALA 55 CO 0.07 0.51 1.88 0.00 0.00 0.00 0.00 175.76 178.22 3kqc h ALA 56 N 4.83 1.36 0.00 0.00 0.00 -1.71 -2.24 119.26 121.50 3kqc h ALA 56 Ca -0.52 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 3kqc h ALA 56 Cb 1.22 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 3kqc h ALA 56 CO 0.61 0.45 -0.05 1.12 0.00 0.00 0.00 179.25 181.38 3kqc h HIS 57 N 1.18 0.00 -0.18 0.00 2.07 -1.92 -2.12 115.15 114.18 3kqc h HIS 57 Ca 0.42 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.89 3kqc h HIS 57 Cb 0.13 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.10 3kqc h HIS 57 CO -0.00 0.05 -0.11 0.00 -3.07 0.00 0.00 177.93 174.80 3kqc n LEU 59 N -4.28 0.40 -0.07 0.00 4.77 -0.80 -1.45 117.00 115.57 3kqc n LEU 59 Ca -0.00 0.65 0.12 0.00 -0.03 0.00 0.00 56.01 56.74 3kqc n LEU 59 Cb 0.26 -0.65 0.15 0.00 -2.33 0.00 0.00 43.42 40.84 3kqc n LEU 59 CO 0.38 -0.67 0.33 -1.22 -1.33 0.00 0.00 177.39 174.89 3kqc n TYR 60 N -1.99 0.00 1.75 -1.77 4.02 -1.12 -4.29 117.16 113.75 3kqc n TYR 60 Ca 0.00 0.00 0.15 0.00 -0.01 0.00 0.00 57.90 58.04 3kqc n TYR 60 Cb 0.09 -0.14 0.74 0.00 -0.02 0.00 0.00 39.34 40.01 3kqc n TYR 60 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 3kqc n GLN 61 N -1.26 1.30 -3.64 -0.72 6.02 -0.53 -4.86 117.38 113.69 3kqc n GLN 61 Ca 0.06 -0.46 -0.07 0.00 -0.01 0.00 0.00 57.00 56.52 3kqc n GLN 61 Cb 0.35 -1.49 -0.07 0.00 1.02 0.00 0.00 30.24 30.05 3kqc n GLN 61 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3kqc s ALA 61 N -2.02 -2.04 0.02 -1.58 0.00 -1.26 -5.04 121.76 109.84 3kqc s ALA 61 Ca 0.43 2.00 -0.25 0.00 0.00 0.00 0.00 51.96 54.13 3kqc s ALA 61 Cb 0.21 -1.50 -0.18 0.00 0.00 0.00 0.00 23.12 21.65 3kqc s ALA 61 CO 0.36 -0.28 1.41 0.87 0.00 0.00 0.00 175.76 178.12 3kqc h LYS 62 N 4.86 -0.12 -4.42 0.00 6.56 -1.89 -3.43 116.57 118.12 3kqc h LYS 62 Ca -0.28 0.01 -0.47 0.00 -1.06 0.00 0.00 60.65 58.84 3kqc h LYS 62 Cb 1.18 0.03 -0.33 0.00 -0.57 0.00 0.00 32.23 32.54 3kqc h LYS 62 CO 0.13 0.17 -0.80 0.50 -2.06 0.00 0.00 179.45 177.40 3kqc s ARG 63 N -4.99 1.34 0.04 3.15 3.52 -1.26 -5.14 118.95 115.61 3kqc s ARG 63 Ca -0.15 -0.31 -0.01 0.00 -0.13 0.00 0.00 55.73 55.13 3kqc s ARG 63 Cb 0.03 -1.17 -0.03 0.00 -1.56 0.00 0.00 34.95 32.22 3kqc s ARG 63 CO 0.64 0.02 -0.02 -0.59 -0.81 0.00 0.00 175.30 174.54 3kqc s PHE 64 N 0.64 0.40 0.47 5.12 -0.12 -1.26 -3.61 117.98 119.62 3kqc s PHE 64 Ca -0.12 -0.82 0.05 0.00 -0.05 0.00 0.00 56.93 55.98 3kqc s PHE 64 Cb -0.14 -0.29 -0.03 0.00 -0.63 0.00 0.00 43.02 41.92 3kqc s PHE 64 CO 0.02 -0.31 0.09 0.15 -0.05 0.00 0.00 175.22 175.12 3kqc s LYS 65 N -2.92 2.14 -0.16 1.99 1.02 -0.28 -4.49 119.74 117.05 3kqc s LYS 65 Ca -0.02 -2.15 0.01 0.00 0.02 0.00 0.00 55.97 53.82 3kqc s LYS 65 Cb 0.01 -1.73 0.00 0.00 -0.52 0.00 0.00 37.83 35.59 3kqc s LYS 65 CO -0.06 -0.25 -0.17 0.08 -0.92 0.00 0.00 175.35 174.02 3kqc s VAL 66 N -2.76 2.44 -0.19 3.17 1.01 0.91 -0.94 120.40 124.05 3kqc s VAL 66 Ca 0.25 -0.84 -0.08 0.00 0.00 0.00 0.00 61.98 61.31 3kqc s VAL 66 Cb 0.04 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 3kqc s VAL 66 CO 0.14 0.52 0.07 -0.60 0.00 0.00 0.00 175.10 175.23 3kqc s ARG 67 N 0.89 3.96 0.26 2.72 3.52 0.13 -0.08 118.95 130.34 3kqc s ARG 67 Ca -0.04 -0.35 0.12 0.00 -0.13 0.00 0.00 55.73 55.33 3kqc s ARG 67 Cb -0.15 -3.24 -0.05 0.00 -1.56 0.00 0.00 34.95 29.95 3kqc s ARG 67 CO -0.02 0.22 -0.21 0.14 -0.81 0.00 0.00 175.30 174.62 3kqc s VAL 68 N 0.51 2.45 -0.15 7.11 -7.23 -0.39 -0.38 120.40 122.32 3kqc s VAL 68 Ca 0.03 -2.32 0.00 0.00 -1.81 0.00 0.00 61.98 57.89 3kqc s VAL 68 Cb -0.13 -2.26 0.00 0.00 0.56 0.00 0.00 36.38 34.56 3kqc s VAL 68 CO 0.01 -0.33 0.00 0.61 -0.31 0.00 0.00 175.10 175.07 3kqc n GLY 69 N -0.41 0.28 3.75 2.32 0.00 -1.25 -1.87 105.19 108.01 3kqc n GLY 69 Ca -0.07 -0.03 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 3kqc n GLY 69 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kqc s ASP 70 N -2.08 6.76 0.00 1.61 2.15 -1.26 -4.28 116.67 119.58 3kqc s ASP 70 Ca 0.00 0.91 0.00 0.00 0.43 0.00 0.00 52.55 53.89 3kqc s ASP 70 Cb 0.00 -2.30 0.00 0.00 -0.30 0.00 0.00 42.92 40.32 3kqc s ASP 70 CO 0.00 0.08 0.00 0.54 -0.17 0.00 0.00 175.17 175.62 3kqc n ARG 71 N 3.17 2.38 -3.73 4.34 1.74 -1.26 -4.89 116.66 118.41 3kqc n ARG 71 Ca -0.08 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 56.74 3kqc n ARG 71 Cb 0.52 -0.85 -0.17 0.00 -1.02 0.00 0.00 32.46 30.94 3kqc n ARG 71 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3kqc s ASN 72 N -1.98 2.54 0.00 0.55 2.47 -1.25 -0.62 114.94 116.64 3kqc s ASN 72 Ca 0.00 -0.63 0.18 0.00 0.42 0.00 0.00 52.86 52.83 3kqc s ASN 72 Cb 0.00 -0.51 1.00 0.00 -1.45 0.00 0.00 41.25 40.29 3kqc s ASN 72 CO 0.00 -0.29 1.53 0.35 -3.72 0.00 0.00 177.10 174.97 3kqc n THR 73 N 5.10 0.26 -0.02 -5.21 -2.24 0.79 -3.04 114.28 109.93 3kqc n THR 73 Ca -0.08 0.07 -0.02 0.00 -2.27 0.00 0.00 64.05 61.74 3kqc n THR 73 Cb 0.48 -0.77 -0.12 0.00 -2.10 0.00 0.00 70.33 67.82 3kqc n THR 73 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3kqc n GLU 74 N -1.16 0.65 -4.84 -0.78 -0.58 -1.26 -4.93 120.64 107.74 3kqc n GLU 74 Ca 0.11 0.11 -0.33 0.00 -0.42 0.00 0.00 57.16 56.63 3kqc n GLU 74 Cb 0.11 -1.69 -0.14 0.00 -0.57 0.00 0.00 31.44 29.15 3kqc n GLU 74 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 3kqc s GLN 75 N -2.85 2.96 -0.02 3.49 -1.52 -1.17 -5.10 119.66 115.46 3kqc s GLN 75 Ca -0.06 -0.69 -0.30 0.00 -1.95 0.00 0.00 55.36 52.36 3kqc s GLN 75 Cb 0.09 -2.51 -0.04 0.00 -0.22 0.00 0.00 33.01 30.33 3kqc s GLN 75 CO 0.83 0.41 1.27 -2.00 -0.25 0.00 0.00 175.29 175.55 3kqc s GLU 76 N -0.16 4.34 0.00 2.91 2.56 -1.26 -4.74 118.70 122.35 3kqc s GLU 76 Ca -0.01 1.79 0.22 0.00 0.00 0.00 0.00 54.97 56.97 3kqc s GLU 76 Cb -0.13 -3.53 0.53 0.00 2.00 0.00 0.00 34.13 33.00 3kqc s GLU 76 CO 0.03 -0.46 1.45 0.39 -0.56 0.00 0.00 175.26 176.11 3kqc n GLU 77 N 5.05 2.23 0.00 4.30 1.02 -1.26 -4.99 120.64 126.99 3kqc n GLU 77 Ca 0.11 -1.86 0.00 0.00 -0.02 0.00 0.00 57.16 55.39 3kqc n GLU 77 Cb 0.45 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.41 3kqc n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kqc n GLY 78 N 1.37 0.91 0.00 0.62 0.00 -1.26 -4.04 105.19 102.79 3kqc n GLY 78 Ca 0.18 -0.02 0.09 0.00 0.00 0.00 0.00 46.02 46.28 3kqc n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kqc n GLY 79 N 0.00 -0.89 3.75 -0.02 0.00 -1.26 -4.79 105.19 101.97 3kqc n GLY 79 Ca 0.00 -0.09 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 3kqc n GLY 79 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kqc s GLU 80 N -2.52 4.74 -0.03 1.61 2.12 -1.26 -4.61 118.70 118.76 3kqc s GLU 80 Ca 0.19 1.59 -0.09 0.00 0.36 0.00 0.00 54.97 57.03 3kqc s GLU 80 Cb 0.13 -3.27 0.01 0.00 0.26 0.00 0.00 34.13 31.26 3kqc s GLU 80 CO 0.28 0.32 0.20 0.00 -0.54 0.00 0.00 175.26 175.52 3kqc s ALA 81 N -0.82 -0.48 -0.17 6.30 0.00 -0.78 -4.91 121.76 120.89 3kqc s ALA 81 Ca 0.44 0.21 -0.06 0.00 0.00 0.00 0.00 51.96 52.54 3kqc s ALA 81 Cb -0.27 -0.06 -0.04 0.00 0.00 0.00 0.00 23.12 22.75 3kqc s ALA 81 CO 0.34 -0.18 0.03 0.08 0.00 0.00 0.00 175.76 176.03 3kqc s VAL 82 N -0.86 4.54 -0.03 0.00 1.01 -1.26 -1.26 120.40 122.53 3kqc s VAL 82 Ca -0.09 -0.13 0.06 0.00 0.00 0.00 0.00 61.98 61.82 3kqc s VAL 82 Cb -0.05 -3.03 -0.01 0.00 0.00 0.00 0.00 36.38 33.29 3kqc s VAL 82 CO 0.02 0.47 -0.21 -1.00 0.00 0.00 0.00 175.10 174.37 3kqc s HIS 83 N 0.34 2.00 0.24 5.22 3.76 0.88 -4.96 115.29 122.77 3kqc s HIS 83 Ca 0.01 -0.46 -0.11 0.00 -0.15 0.00 0.00 55.06 54.35 3kqc s HIS 83 Cb -0.13 -1.30 -0.08 0.00 1.11 0.00 0.00 32.58 32.18 3kqc s HIS 83 CO 0.01 -0.10 0.58 -1.21 -0.85 0.00 0.00 174.74 173.17 3kqc s GLU 84 N -0.33 3.85 -0.14 1.40 2.02 -1.26 -0.06 118.70 124.17 3kqc s GLU 84 Ca 0.03 0.36 -0.20 0.00 0.02 0.00 0.00 54.97 55.18 3kqc s GLU 84 Cb -0.10 -2.62 -0.03 0.00 0.10 0.00 0.00 34.13 31.47 3kqc s GLU 84 CO 0.01 0.30 0.58 0.08 0.02 0.00 0.00 175.26 176.24 3kqc s VAL 85 N -1.83 5.09 -0.16 2.63 1.01 -1.26 -0.88 120.40 125.00 3kqc s VAL 85 Ca 0.48 1.14 -0.13 0.00 0.00 0.00 0.00 61.98 63.47 3kqc s VAL 85 Cb -0.11 -3.91 -0.09 0.00 0.00 0.00 0.00 36.38 32.27 3kqc s VAL 85 CO 0.20 0.22 -0.01 -0.08 0.00 0.00 0.00 175.10 175.43 3kqc h GLU 86 N 7.06 0.00 -5.44 2.72 4.81 -0.98 -3.44 114.58 119.31 3kqc h GLU 86 Ca -0.37 0.00 -0.65 0.00 -0.13 0.00 0.00 59.36 58.21 3kqc h GLU 86 Cb 1.17 0.00 -0.32 0.00 0.63 0.00 0.00 28.75 30.22 3kqc h GLU 86 CO 0.76 0.35 -0.87 0.08 -0.73 0.00 0.00 179.01 178.60 3kqc s VAL 87 N -2.23 1.88 -0.24 0.32 1.01 -0.91 -5.00 120.40 115.23 3kqc s VAL 87 Ca -0.18 -0.94 -0.09 0.00 0.00 0.00 0.00 61.98 60.77 3kqc s VAL 87 Cb 0.03 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 3kqc s VAL 87 CO 0.33 0.52 0.12 -0.69 0.00 0.00 0.00 175.10 175.38 3kqc s VAL 88 N 0.20 4.86 -0.38 2.92 1.01 -1.26 -0.85 120.40 126.89 3kqc s VAL 88 Ca -0.12 0.01 0.00 0.00 0.00 0.00 0.00 61.98 61.87 3kqc s VAL 88 Cb -0.16 -3.27 0.11 0.00 0.00 0.00 0.00 36.38 33.06 3kqc s VAL 88 CO 0.06 0.34 0.14 -0.63 0.00 0.00 0.00 175.10 175.01 3kqc s ILE 89 N 1.33 2.83 -0.11 2.22 1.01 0.41 -5.02 121.20 123.88 3kqc s ILE 89 Ca 0.06 -2.22 -0.03 0.00 0.00 0.00 0.00 60.65 58.45 3kqc s ILE 89 Cb -0.15 -3.00 -0.03 0.00 0.01 0.00 0.00 42.46 39.29 3kqc s ILE 89 CO 0.05 -0.66 0.02 -0.75 0.00 0.00 0.00 174.94 173.61 3kqc s LYS 90 N 0.99 3.26 -0.25 2.79 2.20 -1.26 -0.37 119.74 127.10 3kqc s LYS 90 Ca 0.10 -0.38 -0.29 0.00 -0.36 0.00 0.00 55.97 55.04 3kqc s LYS 90 Cb -0.21 -2.91 -0.02 0.00 -1.51 0.00 0.00 37.83 33.18 3kqc s LYS 90 CO -0.06 0.59 1.57 -1.58 -0.36 0.00 0.00 175.35 175.51 3kqc s HIS 91 N -0.57 2.20 0.65 4.03 5.65 -1.18 -4.90 115.29 121.17 3kqc s HIS 91 Ca 0.10 0.61 0.35 0.00 0.25 0.00 0.00 55.06 56.37 3kqc s HIS 91 Cb -0.12 -3.99 1.94 0.00 -1.18 0.00 0.00 32.58 29.23 3kqc s HIS 91 CO 0.02 -2.70 2.12 -2.95 -0.65 0.00 0.00 174.74 170.59 3kqc h ASN 92 N 10.60 0.00 0.65 9.88 7.08 -1.93 -1.70 115.58 140.16 3kqc h ASN 92 Ca -0.32 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.90 3kqc h ASN 92 Cb 1.14 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.38 3kqc h ASN 92 CO 1.01 0.00 -0.12 0.54 -2.08 0.00 0.00 177.43 176.78 3kqc n ARG 93 N -3.15 0.27 -2.20 4.14 5.12 -1.26 -4.90 116.66 114.69 3kqc n ARG 93 Ca -0.02 -0.07 -0.41 0.00 -1.93 0.00 0.00 57.85 55.43 3kqc n ARG 93 Cb 0.26 -1.50 -0.03 0.00 -1.16 0.00 0.00 32.46 30.03 3kqc n ARG 93 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 3kqc s PHE 94 N -2.77 3.18 -0.14 -1.55 5.36 -0.64 -4.74 117.98 116.68 3kqc s PHE 94 Ca 0.20 1.47 -0.12 0.00 -0.96 0.00 0.00 56.93 57.52 3kqc s PHE 94 Cb 0.19 -3.59 0.04 0.00 -0.34 0.00 0.00 43.02 39.33 3kqc s PHE 94 CO 0.53 -1.56 0.36 -0.08 -1.46 0.00 0.00 175.22 173.02 3kqc s THR 95 N -1.08 -0.00 0.51 0.12 -1.32 -1.25 -5.04 115.64 107.57 3kqc s THR 95 Ca 0.48 0.01 0.40 0.00 -1.21 0.00 0.00 61.69 61.37 3kqc s THR 95 Cb -0.38 -0.51 0.42 0.00 -1.51 0.00 0.00 72.50 70.51 3kqc s THR 95 CO 0.49 0.01 2.25 0.07 -2.21 0.00 0.00 174.62 175.23 3kqc h LYS 96 N 5.78 0.00 -0.18 7.08 -0.00 -1.96 0.67 116.57 127.96 3kqc h LYS 96 Ca -0.28 0.00 -0.13 0.00 -0.00 0.00 0.00 60.65 60.24 3kqc h LYS 96 Cb 1.18 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.40 3kqc h LYS 96 CO 0.28 0.01 -0.45 0.93 -0.00 0.00 0.00 179.45 180.23 3kqc h GLU 97 N 0.00 0.45 0.00 0.07 4.39 -1.99 -3.36 114.58 114.14 3kqc h GLU 97 Ca -0.00 -0.24 -0.06 0.00 0.34 0.00 0.00 59.36 59.40 3kqc h GLU 97 Cb 0.14 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 3kqc h GLU 97 CO 0.00 0.81 -1.32 0.25 -1.16 0.00 0.00 179.01 177.59 3kqc n THR 98 N -4.00 0.22 -1.22 1.13 -2.24 -1.08 -5.01 114.28 102.08 3kqc n THR 98 Ca -0.02 -0.19 -0.08 0.00 -2.27 0.00 0.00 64.05 61.50 3kqc n THR 98 Cb 0.53 -0.38 -0.03 0.00 -2.10 0.00 0.00 70.33 68.35 3kqc n THR 98 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3kqc n TYR 99 N -2.00 0.00 -1.79 4.78 4.02 0.21 -4.93 117.16 117.45 3kqc n TYR 99 Ca -0.06 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.51 3kqc n TYR 99 Cb 0.47 -2.09 0.04 0.00 -0.02 0.00 0.00 39.34 37.73 3kqc n TYR 99 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 3kqc s ASP 100 N -2.41 5.31 -1.46 7.72 2.15 -1.26 -3.72 116.67 122.99 3kqc s ASP 100 Ca 0.00 1.88 -0.11 0.00 0.43 0.00 0.00 52.55 54.75 3kqc s ASP 100 Cb 0.00 -2.54 0.06 0.00 -0.30 0.00 0.00 42.92 40.14 3kqc s ASP 100 CO 0.00 -1.49 0.97 0.49 -0.17 0.00 0.00 175.17 174.98 3kqc n PHE 101 N -2.46 -2.34 -2.18 -5.34 3.72 -1.26 -3.96 117.46 103.64 3kqc n PHE 101 Ca 0.09 0.92 -0.43 0.00 -0.05 0.00 0.00 57.45 57.98 3kqc n PHE 101 Cb 0.53 -4.24 0.00 0.00 -0.94 0.00 0.00 39.48 34.82 3kqc n PHE 101 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3kqc n ASP 102 N -2.91 4.44 -3.75 4.37 2.03 -1.24 -4.29 116.55 115.19 3kqc n ASP 102 Ca -0.02 -2.88 -0.13 0.00 0.52 0.00 0.00 54.79 52.27 3kqc n ASP 102 Cb 0.56 -1.70 -0.10 0.00 -0.72 0.00 0.00 41.12 39.15 3kqc n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 3kqc s ILE 103 N 3.70 0.00 -0.00 5.18 2.07 -1.26 -4.10 121.20 126.79 3kqc s ILE 103 Ca 0.50 -0.03 -0.12 0.00 -1.41 0.00 0.00 60.65 59.59 3kqc s ILE 103 Cb 0.09 -0.50 0.02 0.00 0.13 0.00 0.00 42.46 42.19 3kqc s ILE 103 CO -0.00 -0.02 0.25 0.00 -1.91 0.00 0.00 174.94 173.27 3kqc s ALA 104 N 0.09 -0.62 -0.07 1.50 0.00 -0.23 -3.12 121.76 119.30 3kqc s ALA 104 Ca -0.01 0.13 0.04 0.00 0.00 0.00 0.00 51.96 52.11 3kqc s ALA 104 Cb -0.03 0.12 -0.02 0.00 0.00 0.00 0.00 23.12 23.20 3kqc s ALA 104 CO 0.01 -0.27 -0.18 0.08 0.00 0.00 0.00 175.76 175.40 3kqc s VAL 105 N -1.55 2.67 -0.12 0.00 1.01 0.50 -1.07 120.40 121.84 3kqc s VAL 105 Ca -0.13 -0.84 0.01 0.00 0.00 0.00 0.00 61.98 61.02 3kqc s VAL 105 Cb -0.05 -2.04 -0.02 0.00 0.00 0.00 0.00 36.38 34.27 3kqc s VAL 105 CO 0.02 0.56 -0.14 -0.76 0.00 0.00 0.00 175.10 174.79 3kqc s LEU 106 N -0.21 2.68 -0.21 3.92 1.43 0.80 -0.44 118.68 126.64 3kqc s LEU 106 Ca -0.01 -0.32 -0.09 0.00 -1.03 0.00 0.00 54.13 52.68 3kqc s LEU 106 Cb -0.13 -1.59 -0.05 0.00 0.03 0.00 0.00 46.19 44.45 3kqc s LEU 106 CO 0.03 0.19 0.12 -0.60 0.23 0.00 0.00 176.35 176.32 3kqc s ARG 107 N 0.20 4.06 0.41 1.70 3.52 -0.03 -1.09 118.95 127.73 3kqc s ARG 107 Ca -0.09 -0.29 -0.09 0.00 -0.13 0.00 0.00 55.73 55.14 3kqc s ARG 107 Cb -0.15 -3.40 -0.06 0.00 -1.56 0.00 0.00 34.95 29.78 3kqc s ARG 107 CO 0.05 0.18 0.76 -0.51 -0.81 0.00 0.00 175.30 174.97 3kqc s LEU 108 N 0.67 3.80 0.10 -0.88 1.43 0.58 -0.43 118.68 123.95 3kqc s LEU 108 Ca 0.06 1.07 -0.15 0.00 -1.03 0.00 0.00 54.13 54.08 3kqc s LEU 108 Cb -0.12 -3.96 -0.09 0.00 0.03 0.00 0.00 46.19 42.05 3kqc s LEU 108 CO 0.01 -0.42 1.42 0.50 0.23 0.00 0.00 176.35 178.09 3kqc h LYS 109 N 1.08 0.67 -6.84 1.70 1.63 -1.30 -3.41 116.57 110.11 3kqc h LYS 109 Ca -0.47 -0.35 -0.69 0.00 -0.85 0.00 0.00 60.65 58.29 3kqc h LYS 109 Cb 1.19 0.01 -0.22 0.00 -0.60 0.00 0.00 32.23 32.61 3kqc h LYS 109 CO 0.64 0.96 -0.86 0.95 -3.45 0.00 0.00 179.45 177.69 3kqc s THR 110 N -4.37 2.37 0.44 1.00 -4.23 -1.26 -5.02 115.64 104.56 3kqc s THR 110 Ca -0.12 -1.63 -0.22 0.00 -1.18 0.00 0.00 61.69 58.53 3kqc s THR 110 Cb 0.08 -2.04 -0.09 0.00 1.34 0.00 0.00 72.50 71.80 3kqc s THR 110 CO 0.82 0.14 1.02 -2.16 -0.54 0.00 0.00 174.62 173.90 3kqc s PRO 111 N -1.92 4.04 0.36 3.99 0.04 -1.26 -4.83 135.00 135.42 3kqc s PRO 111 Ca 0.14 1.35 -0.27 0.00 0.04 0.00 0.00 61.00 62.27 3kqc s PRO 111 Cb -0.10 -2.29 -0.09 0.00 0.04 0.00 0.00 34.50 32.06 3kqc s PRO 111 CO 0.06 -0.22 1.18 0.42 0.04 0.00 0.00 177.00 178.48 3kqc s ILE 112 N -1.90 3.16 -0.32 0.56 1.01 0.87 -4.99 121.20 119.59 3kqc s ILE 112 Ca 0.62 1.05 -0.17 0.00 0.00 0.00 0.00 60.65 62.16 3kqc s ILE 112 Cb -0.17 -3.63 -0.02 0.00 0.01 0.00 0.00 42.46 38.66 3kqc s ILE 112 CO 0.21 0.16 0.45 -0.89 0.00 0.00 0.00 174.94 174.87 3kqc s THR 113 N -1.31 5.09 0.24 2.92 2.01 -1.26 -4.78 115.64 118.55 3kqc s THR 113 Ca 0.53 0.41 -0.30 0.00 0.31 0.00 0.00 61.69 62.64 3kqc s THR 113 Cb -0.32 -3.85 -0.09 0.00 0.01 0.00 0.00 72.50 68.25 3kqc s THR 113 CO 0.42 -0.06 0.96 -0.36 -0.69 0.00 0.00 174.62 174.89 3kqc s PHE 114 N 2.22 3.92 0.06 4.92 0.08 -1.26 -4.86 117.98 123.07 3kqc s PHE 114 Ca 0.17 1.88 -0.06 0.00 0.12 0.00 0.00 56.93 59.04 3kqc s PHE 114 Cb -0.16 -3.03 0.02 0.00 -0.57 0.00 0.00 43.02 39.29 3kqc s PHE 114 CO 0.12 0.30 0.30 2.89 -0.10 0.00 0.00 175.22 178.73 3kqc n ARG 115 N 1.53 0.22 -1.69 0.44 1.85 0.20 -4.99 116.66 114.22 3kqc n ARG 115 Ca -0.02 -0.48 -0.43 0.00 -1.00 0.00 0.00 57.85 55.92 3kqc n ARG 115 Cb 0.47 0.64 -0.03 0.00 -1.05 0.00 0.00 32.46 32.48 3kqc n ARG 115 CO 0.00 0.00 0.00 -0.12 -0.01 0.00 0.00 177.63 177.50 3kqc n MET 116 N -0.21 2.65 -0.97 2.89 0.00 -1.26 -0.75 117.12 119.48 3kqc n MET 116 Ca -0.01 0.96 0.00 0.00 -0.00 0.00 0.00 57.70 58.65 3kqc n MET 116 Cb 0.17 -2.83 0.00 0.00 0.00 0.00 0.00 33.22 30.57 3kqc n MET 116 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 3kqc n ASN 117 N 5.12 -1.49 -3.64 6.12 3.02 -1.26 -4.95 115.26 118.18 3kqc n ASN 117 Ca 0.18 0.00 -0.27 0.00 -0.03 0.00 0.00 54.58 54.46 3kqc n ASN 117 Cb 0.35 -0.54 -0.16 0.00 -0.61 0.00 0.00 39.78 38.82 3kqc n ASN 117 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3kqc s VAL 118 N -2.86 0.17 -0.15 2.41 1.01 0.08 -3.76 120.40 117.29 3kqc s VAL 118 Ca 0.00 -0.49 -0.29 0.00 0.00 0.00 0.00 61.98 61.21 3kqc s VAL 118 Cb 0.00 -0.87 0.08 0.00 0.00 0.00 0.00 36.38 35.59 3kqc s VAL 118 CO 0.00 -0.37 0.78 0.00 0.00 0.00 0.00 175.10 175.50 3kqc s ALA 119 N 2.01 -1.82 0.57 5.51 0.00 -0.91 -0.63 121.76 126.50 3kqc s ALA 119 Ca 0.03 1.62 -0.14 0.00 0.00 0.00 0.00 51.96 53.47 3kqc s ALA 119 Cb -0.16 -0.59 -0.06 0.00 0.00 0.00 0.00 23.12 22.31 3kqc s ALA 119 CO -0.15 -0.34 1.01 -1.25 0.00 0.00 0.00 175.76 175.03 3kqc s PRO 120 N -0.59 3.72 0.33 0.00 0.04 -1.26 -2.65 135.00 134.58 3kqc s PRO 120 Ca -0.05 0.88 -0.10 0.00 0.04 0.00 0.00 61.00 61.77 3kqc s PRO 120 Cb -0.02 -2.10 -0.07 0.00 0.04 0.00 0.00 34.50 32.35 3kqc s PRO 120 CO 0.04 -0.47 0.68 0.00 0.04 0.00 0.00 177.00 177.29 3kqc s ALA 121 N -2.88 3.44 0.33 8.56 0.00 -0.25 -4.86 121.76 126.10 3kqc s ALA 121 Ca 0.57 -0.24 -0.26 0.00 0.00 0.00 0.00 51.96 52.04 3kqc s ALA 121 Cb -0.11 -2.58 -0.10 0.00 0.00 0.00 0.00 23.12 20.33 3kqc s ALA 121 CO 0.43 0.22 0.97 0.00 0.00 0.00 0.00 175.76 177.38 3kqc s LEU 123 N -2.06 4.07 0.82 0.00 1.43 -1.26 -0.66 118.68 121.01 3kqc s LEU 123 Ca 0.51 0.41 -0.10 0.00 -1.03 0.00 0.00 54.13 53.92 3kqc s LEU 123 Cb -0.20 -2.52 0.12 0.00 0.03 0.00 0.00 46.19 43.62 3kqc s LEU 123 CO 0.26 -0.20 1.15 -2.16 0.23 0.00 0.00 176.35 175.64 3kqc s PRO 124 N 1.99 1.53 0.18 1.29 0.04 -1.26 -5.01 135.00 133.76 3kqc s PRO 124 Ca 0.18 -0.36 -0.18 0.00 0.04 0.00 0.00 61.00 60.68 3kqc s PRO 124 Cb -0.16 -2.04 -0.08 0.00 0.04 0.00 0.00 34.50 32.27 3kqc s PRO 124 CO 0.09 -1.75 0.64 -1.21 0.04 0.00 0.00 177.00 174.81 3kqc s GLU 124 N -5.52 4.14 0.12 4.56 2.02 -1.26 -4.95 118.70 117.81 3kqc s GLU 124 Ca 0.66 0.71 -0.33 0.00 0.02 0.00 0.00 54.97 56.04 3kqc s GLU 124 Cb -0.08 -2.93 -0.12 0.00 0.10 0.00 0.00 34.13 31.10 3kqc s GLU 124 CO 0.48 0.45 1.54 -0.09 0.02 0.00 0.00 175.26 177.66 3kqc h ARG 125 N 3.57 -0.48 -0.54 1.61 2.43 -1.97 -0.37 114.38 118.62 3kqc h ARG 125 Ca -0.48 0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 58.70 3kqc h ARG 125 Cb 1.19 0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.83 3kqc h ARG 125 CO 0.65 -0.32 0.25 -0.44 -1.51 0.00 0.00 179.97 178.60 3kqc h ASP 126 N -0.50 0.72 -0.39 -3.80 3.45 -1.96 -2.18 116.42 111.75 3kqc h ASP 126 Ca 0.05 -0.14 -0.05 0.00 0.43 0.00 0.00 57.03 57.32 3kqc h ASP 126 Cb 0.63 -0.18 -0.02 0.00 -0.56 0.00 0.00 39.33 39.20 3kqc h ASP 126 CO -0.49 0.66 0.05 -0.25 -1.57 0.00 0.00 179.24 177.64 3kqc h TRP 127 N 0.73 0.70 -0.77 4.55 7.01 -1.97 0.41 115.95 126.61 3kqc h TRP 127 Ca 0.18 -0.10 0.07 0.00 2.11 0.00 0.00 58.89 61.16 3kqc h TRP 127 Cb 0.14 -0.19 -0.06 0.00 -2.10 0.00 0.00 29.16 26.95 3kqc h TRP 127 CO -0.00 0.70 0.45 0.00 -2.79 0.00 0.00 178.44 176.80 3kqc h ALA 128 N 0.91 1.07 -0.08 2.65 0.00 -0.91 0.50 119.26 123.41 3kqc h ALA 128 Ca 0.12 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3kqc h ALA 128 Cb 0.39 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 3kqc h ALA 128 CO 0.01 0.12 -0.05 0.93 0.00 0.00 0.00 179.25 180.26 3kqc h GLU 129 N 0.79 0.17 0.00 0.00 5.08 -1.15 0.50 114.58 119.98 3kqc h GLU 129 Ca 0.35 -0.08 -0.20 0.00 -1.00 0.00 0.00 59.36 58.44 3kqc h GLU 129 Cb 0.25 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 3kqc h GLU 129 CO -0.21 0.57 -0.92 0.66 -1.00 0.00 0.00 179.01 178.11 3kqc h SER 130 N -0.23 0.02 0.00 1.42 4.64 -0.71 -3.36 113.55 115.33 3kqc h SER 130 Ca 0.02 -0.02 -0.23 0.00 -0.47 0.00 0.00 61.79 61.08 3kqc h SER 130 Cb 0.53 -0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 62.57 3kqc h SER 130 CO 0.01 0.93 -1.78 0.41 -0.87 0.00 0.00 176.83 175.54 3kqc n THR 131 N -3.46 0.76 -0.01 2.95 -1.04 0.17 -4.42 114.28 109.24 3kqc n THR 131 Ca -0.01 -0.20 -0.12 0.00 -2.04 0.00 0.00 64.05 61.68 3kqc n THR 131 Cb 0.87 -1.63 -0.10 0.00 -1.82 0.00 0.00 70.33 67.65 3kqc n THR 131 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3kqc h LEU 131 N -0.46 -0.06 -2.37 -4.42 3.38 -1.11 -3.28 115.31 106.98 3kqc h LEU 131 Ca -0.35 -0.56 -0.00 0.00 0.09 0.00 0.00 57.88 57.05 3kqc h LEU 131 Cb 1.32 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 42.09 3kqc h LEU 131 CO -0.20 0.58 -0.01 -0.03 0.09 0.00 0.00 178.44 178.87 3kqc h MET 131 N -0.76 0.00 -0.01 1.13 4.05 -0.24 -1.83 114.93 117.27 3kqc h MET 131 Ca -0.01 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.41 3kqc h MET 131 Cb 0.62 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.42 3kqc h MET 131 CO 0.01 0.01 -0.09 0.25 0.23 0.00 0.00 176.91 177.33 3kqc n THR 132 N -3.18 0.00 -1.29 -0.77 -2.24 -1.25 -4.92 114.28 100.63 3kqc n THR 132 Ca -0.02 -0.22 -0.30 0.00 -2.27 0.00 0.00 64.05 61.24 3kqc n THR 132 Cb 0.16 0.52 0.10 0.00 -2.10 0.00 0.00 70.33 69.02 3kqc n THR 132 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3kqc s GLN 133 N -2.16 1.96 0.17 -0.78 -1.52 -0.69 -4.95 119.66 111.69 3kqc s GLN 133 Ca 0.33 0.99 -0.12 0.00 -1.95 0.00 0.00 55.36 54.61 3kqc s GLN 133 Cb 0.20 -1.88 0.08 0.00 -0.22 0.00 0.00 33.01 31.19 3kqc s GLN 133 CO 0.39 -1.80 1.74 1.57 -0.25 0.00 0.00 175.29 176.95 3kqc h LYS 134 N -1.23 0.89 -4.54 2.91 2.10 -1.91 -3.42 116.57 111.37 3kqc h LYS 134 Ca -0.46 -0.15 -0.22 0.00 -2.00 0.00 0.00 60.65 57.82 3kqc h LYS 134 Cb 1.25 -0.15 -0.15 0.00 -0.90 0.00 0.00 32.23 32.28 3kqc h LYS 134 CO 0.54 0.74 -0.62 0.95 -2.00 0.00 0.00 179.45 179.06 3kqc s THR 135 N -5.59 0.03 0.39 0.07 -4.23 -1.26 -0.40 115.64 104.65 3kqc s THR 135 Ca -0.13 -1.97 0.05 0.00 -1.18 0.00 0.00 61.69 58.47 3kqc s THR 135 Cb 0.13 -2.37 -0.02 0.00 1.34 0.00 0.00 72.50 71.58 3kqc s THR 135 CO 0.79 -0.13 0.20 -0.83 -0.54 0.00 0.00 174.62 174.11 3kqc s GLY 136 N -3.13 2.60 -0.09 3.99 0.00 -0.54 -4.71 107.32 105.45 3kqc s GLY 136 Ca 0.35 -1.47 0.02 0.00 0.00 0.00 0.00 44.72 43.61 3kqc s GLY 136 CO 0.09 -1.71 -0.13 -0.42 0.00 0.00 0.00 173.10 170.94 3kqc s ILE 137 N -3.26 1.27 0.01 0.90 1.01 0.14 -0.56 121.20 120.71 3kqc s ILE 137 Ca 0.29 -0.51 0.02 0.00 0.00 0.00 0.00 60.65 60.44 3kqc s ILE 137 Cb 0.02 -1.18 -0.04 0.00 0.01 0.00 0.00 42.46 41.27 3kqc s ILE 137 CO 0.20 0.39 0.00 0.54 0.00 0.00 0.00 174.94 176.07 3kqc s VAL 138 N 0.96 4.13 0.06 2.92 0.11 -0.48 -0.83 120.40 127.27 3kqc s VAL 138 Ca -0.08 -0.65 -0.03 0.00 -2.93 0.00 0.00 61.98 58.28 3kqc s VAL 138 Cb -0.15 -2.86 -0.03 0.00 -1.53 0.00 0.00 36.38 31.82 3kqc s VAL 138 CO -0.00 0.34 0.04 -0.94 -3.33 0.00 0.00 175.10 171.21 3kqc s SER 139 N -1.65 0.35 0.00 3.54 1.04 -1.09 -0.61 113.70 115.28 3kqc s SER 139 Ca 0.20 -0.83 0.00 0.00 0.48 0.00 0.00 55.95 55.81 3kqc s SER 139 Cb -0.12 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.23 3kqc s SER 139 CO 0.11 -0.60 0.00 0.61 0.98 0.00 0.00 173.24 174.34 3kqc n GLY 140 N 0.25 0.73 1.60 7.32 0.00 -0.19 -4.26 105.19 110.63 3kqc n GLY 140 Ca -0.16 -1.01 0.10 0.00 0.00 0.00 0.00 46.02 44.96 3kqc n GLY 140 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3kqc n PHE 141 N -0.50 1.47 -1.06 1.61 3.01 -1.26 -1.81 117.46 118.92 3kqc n PHE 141 Ca 0.00 -0.60 -0.30 0.00 1.01 0.00 0.00 57.45 57.57 3kqc n PHE 141 Cb 0.00 -0.23 0.23 0.00 -0.01 0.00 0.00 39.48 39.48 3kqc n PHE 141 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 3kqc s GLY 142 N -0.90 1.57 0.33 1.37 0.00 -1.26 -0.97 107.32 107.46 3kqc s GLY 142 Ca 0.52 -0.84 -0.27 0.00 0.00 0.00 0.00 44.72 44.12 3kqc s GLY 142 CO 0.26 0.00 1.14 0.54 0.00 0.00 0.00 173.10 175.04 3kqc n ARG 143 N -4.71 1.71 0.01 2.90 1.74 -0.47 -2.76 116.66 115.07 3kqc n ARG 143 Ca 0.12 0.60 0.12 0.00 -0.77 0.00 0.00 57.85 57.91 3kqc n ARG 143 Cb 0.59 -2.09 0.23 0.00 -1.02 0.00 0.00 32.46 30.17 3kqc n ARG 143 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3kqc n THR 144 N 0.16 0.04 -3.83 0.55 -2.24 -1.25 -1.49 114.28 106.22 3kqc n THR 144 Ca 0.07 -0.03 -0.12 0.00 -2.27 0.00 0.00 64.05 61.70 3kqc n THR 144 Cb 0.35 0.22 -0.09 0.00 -2.10 0.00 0.00 70.33 68.70 3kqc n THR 144 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3kqc s HIS 145 N -3.02 -0.06 0.33 4.78 3.76 -1.26 -4.29 115.29 115.52 3kqc s HIS 145 Ca 0.10 0.05 0.12 0.00 -0.15 0.00 0.00 55.06 55.18 3kqc s HIS 145 Cb 0.17 0.01 0.98 0.00 1.11 0.00 0.00 32.58 34.85 3kqc s HIS 145 CO 0.71 -0.32 1.70 1.49 -0.85 0.00 0.00 174.74 177.46 3kqc h GLU 146 N 4.17 0.45 -4.56 1.40 4.81 -1.89 -3.11 114.58 115.85 3kqc h GLU 146 Ca -0.30 -0.03 -0.70 0.00 -0.13 0.00 0.00 59.36 58.20 3kqc h GLU 146 Cb 1.19 -0.10 -0.29 0.00 0.63 0.00 0.00 28.75 30.17 3kqc h GLU 146 CO 0.40 0.30 -0.55 0.15 -0.73 0.00 0.00 179.01 178.58 3kqc s LYS 147 N -5.72 2.51 0.03 1.92 1.02 -1.26 -4.96 119.74 113.28 3kqc s LYS 147 Ca -0.10 -1.39 -0.27 0.00 0.02 0.00 0.00 55.97 54.22 3kqc s LYS 147 Cb 0.29 -3.59 0.09 0.00 -0.52 0.00 0.00 37.83 34.10 3kqc s LYS 147 CO 0.79 -0.84 1.23 0.20 -0.92 0.00 0.00 175.35 175.81 3kqc s GLY 149 N 1.75 -0.11 0.43 -3.33 0.00 -1.18 -4.98 107.32 99.89 3kqc s GLY 149 Ca 0.01 0.03 0.03 0.00 0.00 0.00 0.00 44.72 44.79 3kqc s GLY 149 CO 0.01 4.21 0.62 0.50 0.00 0.00 0.00 173.10 178.44 3kqc s ARG 150 N -2.11 2.99 0.25 2.90 0.52 -1.26 -4.92 118.95 117.32 3kqc s ARG 150 Ca 0.26 -0.74 -0.30 0.00 -0.52 0.00 0.00 55.73 54.43 3kqc s ARG 150 Cb -0.00 -2.64 -0.10 0.00 0.52 0.00 0.00 34.95 32.72 3kqc s ARG 150 CO 0.00 -0.23 1.50 -0.65 0.02 0.00 0.00 175.30 175.95 3kqc s GLN 151 N -4.45 4.22 0.51 3.54 -1.52 -1.26 -4.16 119.66 116.53 3kqc s GLN 151 Ca 0.49 2.39 -0.22 0.00 -1.95 0.00 0.00 55.36 56.07 3kqc s GLN 151 Cb -0.10 -3.09 -0.06 0.00 -0.22 0.00 0.00 33.01 29.54 3kqc s GLN 151 CO 0.36 -0.50 1.28 0.45 -0.25 0.00 0.00 175.29 176.62 3kqc s SER 152 N 0.49 5.63 0.00 5.90 0.15 -0.15 -4.92 113.70 120.80 3kqc s SER 152 Ca 0.62 2.57 0.24 0.00 0.70 0.00 0.00 55.95 60.08 3kqc s SER 152 Cb -0.44 -2.62 0.33 0.00 -1.71 0.00 0.00 66.02 61.58 3kqc s SER 152 CO 0.43 -1.31 1.29 0.35 1.20 0.00 0.00 173.24 175.20 3kqc n THR 153 N -0.83 0.02 -4.83 6.45 -2.24 -1.26 -4.76 114.28 106.83 3kqc n THR 153 Ca 0.09 -0.02 -0.33 0.00 -2.27 0.00 0.00 64.05 61.53 3kqc n THR 153 Cb 0.46 0.40 -0.13 0.00 -2.10 0.00 0.00 70.33 68.96 3kqc n THR 153 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3kqc s ARG 154 N -3.01 2.64 -0.06 -0.78 1.81 -1.26 -0.15 118.95 118.15 3kqc s ARG 154 Ca 0.10 -0.67 -0.30 0.00 -1.72 0.00 0.00 55.73 53.14 3kqc s ARG 154 Cb 0.17 -2.45 -0.03 0.00 -0.45 0.00 0.00 34.95 32.19 3kqc s ARG 154 CO 0.74 0.59 1.24 -1.17 -0.68 0.00 0.00 175.30 176.02 3kqc s LEU 155 N -0.63 4.28 0.33 2.53 2.96 0.21 -4.56 118.68 123.79 3kqc s LEU 155 Ca 0.09 1.85 0.09 0.00 -0.22 0.00 0.00 54.13 55.95 3kqc s LEU 155 Cb -0.11 -3.56 -0.05 0.00 0.50 0.00 0.00 46.19 42.97 3kqc s LEU 155 CO 0.01 -0.62 -0.02 -0.54 -1.32 0.00 0.00 176.35 173.86 3kqc s LYS 156 N 2.37 2.02 0.04 1.98 1.02 -0.75 -0.94 119.74 125.49 3kqc s LYS 156 Ca 0.57 -1.76 -0.02 0.00 0.02 0.00 0.00 55.97 54.78 3kqc s LYS 156 Cb -0.25 -1.90 -0.03 0.00 -0.52 0.00 0.00 37.83 35.13 3kqc s LYS 156 CO 0.22 0.16 0.01 0.00 -0.92 0.00 0.00 175.35 174.82 3kqc s MET 157 N -3.68 0.55 -0.16 1.68 0.23 0.14 -1.03 119.30 117.04 3kqc s MET 157 Ca 0.34 -0.97 -0.09 0.00 -1.03 0.00 0.00 55.69 53.94 3kqc s MET 157 Cb -0.00 0.20 0.05 0.00 -1.53 0.00 0.00 34.83 33.55 3kqc s MET 157 CO 0.19 -0.11 0.38 -1.17 -2.03 0.00 0.00 175.02 172.27 3kqc s LEU 158 N -2.42 0.07 -0.06 0.18 2.96 0.22 -0.62 118.68 119.00 3kqc s LEU 158 Ca -0.01 0.81 -0.30 0.00 -0.22 0.00 0.00 54.13 54.42 3kqc s LEU 158 Cb 0.02 1.23 -0.02 0.00 0.50 0.00 0.00 46.19 47.92 3kqc s LEU 158 CO -0.07 -0.18 1.05 -0.70 -1.32 0.00 0.00 176.35 175.13 3kqc s GLU 159 N 1.24 4.44 -0.13 1.98 2.12 -1.26 -1.38 118.70 125.71 3kqc s GLU 159 Ca -0.08 1.48 0.01 0.00 0.36 0.00 0.00 54.97 56.73 3kqc s GLU 159 Cb -0.08 -3.52 0.02 0.00 0.26 0.00 0.00 34.13 30.81 3kqc s GLU 159 CO -0.10 -0.28 -0.13 0.14 -0.54 0.00 0.00 175.26 174.35 3kqc s VAL 160 N 1.78 1.42 0.47 3.70 -7.23 0.28 -4.98 120.40 115.84 3kqc s VAL 160 Ca 0.51 -0.56 -0.24 0.00 -1.81 0.00 0.00 61.98 59.89 3kqc s VAL 160 Cb -0.21 -1.34 -0.07 0.00 0.56 0.00 0.00 36.38 35.32 3kqc s VAL 160 CO 0.22 0.43 1.34 -2.84 -0.31 0.00 0.00 175.10 173.94 3kqc s PRO 161 N 1.36 3.60 0.22 4.82 0.02 -1.26 -1.46 135.00 142.30 3kqc s PRO 161 Ca 0.01 2.22 -0.30 0.00 0.02 0.00 0.00 61.00 62.95 3kqc s PRO 161 Cb -0.13 -2.53 -0.09 0.00 0.02 0.00 0.00 34.50 31.76 3kqc s PRO 161 CO -0.07 -0.82 1.33 0.71 -0.33 0.00 0.00 177.00 177.82 3kqc s TYR 162 N -1.29 3.20 -0.18 6.54 2.02 0.47 -1.45 117.35 126.66 3kqc s TYR 162 Ca 0.63 1.22 -0.07 0.00 -0.37 0.00 0.00 57.07 58.48 3kqc s TYR 162 Cb -0.39 -3.64 -0.04 0.00 -0.40 0.00 0.00 41.96 37.49 3kqc s TYR 162 CO 0.49 -1.98 0.07 0.08 -1.57 0.00 0.00 175.55 172.64 3kqc s VAL 163 N -0.07 4.85 -0.01 0.71 1.01 -0.76 -4.88 120.40 121.25 3kqc s VAL 163 Ca 0.56 -0.01 -0.38 0.00 0.00 0.00 0.00 61.98 62.15 3kqc s VAL 163 Cb -0.38 -3.18 -0.17 0.00 0.00 0.00 0.00 36.38 32.65 3kqc s VAL 163 CO 0.41 0.47 1.39 -0.67 0.00 0.00 0.00 175.10 176.69 3kqc n ASP 164 N 3.44 1.56 -0.35 3.32 2.03 -1.26 -4.56 116.55 120.74 3kqc n ASP 164 Ca -0.17 1.12 0.15 0.00 0.52 0.00 0.00 54.79 56.41 3kqc n ASP 164 Cb 0.52 -1.14 0.35 0.00 -0.72 0.00 0.00 41.12 40.14 3kqc n ASP 164 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 3kqc h ARG 165 N 4.88 0.67 -0.06 -0.67 2.43 -1.96 -0.65 114.38 119.01 3kqc h ARG 165 Ca -0.48 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 58.63 3kqc h ARG 165 Cb 1.35 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 30.74 3kqc h ARG 165 CO 0.80 0.44 -0.03 -0.97 -1.51 0.00 0.00 179.97 178.70 3kqc h ASN 166 N 0.69 0.13 -0.94 -3.80 -0.73 -2.00 -2.02 115.58 106.91 3kqc h ASN 166 Ca 0.60 -0.43 0.06 0.00 1.87 0.00 0.00 56.30 58.40 3kqc h ASN 166 Cb 1.03 -0.04 -0.06 0.00 0.27 0.00 0.00 38.32 39.52 3kqc h ASN 166 CO -0.41 0.53 0.61 0.28 -0.37 0.00 0.00 177.43 178.07 3kqc h SER 167 N -0.27 0.97 0.25 1.15 0.02 -1.83 -1.41 113.55 112.42 3kqc h SER 167 Ca 0.01 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 3kqc h SER 167 Cb 0.48 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 3kqc h SER 167 CO 0.01 0.63 -0.17 0.00 -1.14 0.00 0.00 176.83 176.16 3kqc h LYS 169 N -0.42 0.93 -0.40 0.00 1.57 -0.88 -2.94 116.57 114.43 3kqc h LYS 169 Ca -0.02 -0.08 -0.07 0.00 -1.87 0.00 0.00 60.65 58.61 3kqc h LYS 169 Cb 0.36 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 3kqc h LYS 169 CO 0.01 0.66 -0.03 -0.07 -0.57 0.00 0.00 179.45 179.44 3kqc h LEU 170 N 0.94 0.63 -1.68 2.94 3.38 -1.16 -3.00 115.31 117.36 3kqc h LEU 170 Ca 0.25 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3kqc h LEU 170 Cb -0.04 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 3kqc h LEU 170 CO -0.05 0.72 -0.07 0.77 0.09 0.00 0.00 178.44 179.90 3kqc h SER 171 N 0.62 0.00 -2.91 -0.43 4.64 -1.05 -3.46 113.55 110.96 3kqc h SER 171 Ca 0.12 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.77 3kqc h SER 171 Cb 0.43 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.43 3kqc h SER 171 CO 0.02 0.07 -0.54 -0.55 -0.87 0.00 0.00 176.83 174.96 3kqc s SER 172 N -5.81 5.95 0.19 4.97 0.15 -1.14 -4.79 113.70 113.22 3kqc s SER 172 Ca -0.01 0.33 0.06 0.00 0.70 0.00 0.00 55.95 57.04 3kqc s SER 172 Cb 0.11 -1.83 0.05 0.00 -1.71 0.00 0.00 66.02 62.64 3kqc s SER 172 CO 0.55 0.38 1.43 0.28 1.20 0.00 0.00 173.24 177.08 3kqc h SER 173 N 4.89 0.09 -2.14 5.45 0.02 -1.89 -3.46 113.55 116.51 3kqc h SER 173 Ca -0.53 -0.08 -0.46 0.00 -0.84 0.00 0.00 61.79 59.89 3kqc h SER 173 Cb 1.21 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.72 3kqc h SER 173 CO 0.58 0.88 -0.41 -0.36 -1.14 0.00 0.00 176.83 176.37 3kqc s PHE 174 N -3.19 3.40 -0.06 3.45 0.08 -1.26 -5.08 117.98 115.32 3kqc s PHE 174 Ca -0.01 -0.04 -0.30 0.00 0.12 0.00 0.00 56.93 56.70 3kqc s PHE 174 Cb 0.11 -1.64 -0.04 0.00 -0.57 0.00 0.00 43.02 40.88 3kqc s PHE 174 CO 0.80 0.36 1.27 0.42 -0.10 0.00 0.00 175.22 177.97 3kqc s ILE 175 N -2.02 4.11 -0.53 0.64 1.09 -1.26 -4.99 121.20 118.25 3kqc s ILE 175 Ca 0.36 1.44 -0.20 0.00 -1.10 0.00 0.00 60.65 61.15 3kqc s ILE 175 Cb -0.09 -3.93 0.06 0.00 -1.06 0.00 0.00 42.46 37.44 3kqc s ILE 175 CO 0.29 -0.02 0.69 -0.63 -0.10 0.00 0.00 174.94 175.17 3kqc s ILE 176 N 2.47 4.79 0.96 2.92 -1.09 -1.26 -5.02 121.20 124.97 3kqc s ILE 176 Ca 0.58 -0.46 -0.15 0.00 -2.23 0.00 0.00 60.65 58.39 3kqc s ILE 176 Cb -0.26 -4.37 0.18 0.00 -1.58 0.00 0.00 42.46 36.44 3kqc s ILE 176 CO 0.22 -0.91 1.24 0.42 -1.23 0.00 0.00 174.94 174.68 3kqc s THR 177 N 2.85 1.94 -0.70 2.92 -4.23 -1.26 -4.95 115.64 112.20 3kqc s THR 177 Ca 0.17 0.00 0.21 0.00 -1.18 0.00 0.00 61.69 60.89 3kqc s THR 177 Cb -0.19 -2.89 0.21 0.00 1.34 0.00 0.00 72.50 70.97 3kqc s THR 177 CO 0.12 0.00 1.65 0.00 -0.54 0.00 0.00 174.62 175.85 3kqc n GLN 178 N -3.83 0.13 -0.11 3.99 6.02 -1.26 -1.99 117.38 120.33 3kqc n GLN 178 Ca 0.12 0.32 0.09 0.00 -0.01 0.00 0.00 57.00 57.53 3kqc n GLN 178 Cb 0.60 -1.72 0.31 0.00 1.02 0.00 0.00 30.24 30.44 3kqc n GLN 178 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3kqc n ASN 179 N -1.96 1.78 -4.32 1.08 3.02 -1.26 -4.89 115.26 108.71 3kqc n ASN 179 Ca 0.03 -1.80 -0.21 0.00 -0.03 0.00 0.00 54.58 52.57 3kqc n ASN 179 Cb 0.24 -0.15 -0.11 0.00 -0.61 0.00 0.00 39.78 39.15 3kqc n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3kqc s MET 180 N -1.70 1.24 0.06 3.52 -1.94 -0.84 -0.17 119.30 119.46 3kqc s MET 180 Ca 0.30 -1.40 -0.06 0.00 -1.71 0.00 0.00 55.69 52.83 3kqc s MET 180 Cb 0.16 -1.24 -0.01 0.00 2.01 0.00 0.00 34.83 35.75 3kqc s MET 180 CO 0.23 0.25 0.10 -0.59 -0.01 0.00 0.00 175.02 175.00 3kqc s PHE 181 N -2.15 0.26 0.04 -0.03 -0.12 -0.43 -4.78 117.98 110.76 3kqc s PHE 181 Ca 0.15 -0.66 -0.01 0.00 -0.05 0.00 0.00 56.93 56.36 3kqc s PHE 181 Cb -0.05 -0.17 -0.04 0.00 -0.63 0.00 0.00 43.02 42.13 3kqc s PHE 181 CO 0.06 -0.43 0.20 0.00 -0.05 0.00 0.00 175.22 175.00 3kqc s ALA 183 N -1.45 -1.30 0.00 0.00 0.00 -0.80 -1.82 121.76 116.40 3kqc s ALA 183 Ca 0.32 1.21 0.00 0.00 0.00 0.00 0.00 51.96 53.49 3kqc s ALA 183 Cb -0.13 -0.48 0.00 0.00 0.00 0.00 0.00 23.12 22.51 3kqc s ALA 183 CO 0.25 -0.28 0.00 0.41 0.00 0.00 0.00 175.76 176.14 3kqc n GLY 184 N 2.06 0.95 3.37 0.00 0.00 -0.53 -1.35 105.19 109.69 3kqc n GLY 184 Ca -0.16 -1.87 -0.28 0.00 0.00 0.00 0.00 46.02 43.71 3kqc n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kqc s TYR 185 N -2.94 2.19 -0.11 1.61 2.02 -1.26 -4.07 117.35 114.80 3kqc s TYR 185 Ca 0.00 -0.39 -0.22 0.00 -0.37 0.00 0.00 57.07 56.09 3kqc s TYR 185 Cb 0.00 -1.18 -0.27 0.00 -0.40 0.00 0.00 41.96 40.11 3kqc s TYR 185 CO 0.00 0.32 0.66 0.38 -1.57 0.00 0.00 175.55 175.35 3kqc h ASP 185 N 3.86 0.25 0.00 2.29 3.04 -1.92 -3.41 116.42 120.53 3kqc h ASP 185 Ca -0.50 -0.87 -0.21 0.00 -3.24 0.00 0.00 57.03 52.21 3kqc h ASP 185 Cb 1.18 -0.08 -0.03 0.00 -1.04 0.00 0.00 39.33 39.35 3kqc h ASP 185 CO 0.40 1.37 -1.64 0.35 -2.04 0.00 0.00 179.24 177.68 3kqc n THR 185 N -4.24 1.51 -1.67 1.15 -2.24 -1.26 0.33 114.28 107.86 3kqc n THR 185 Ca -0.19 -0.09 -0.52 0.00 -2.27 0.00 0.00 64.05 60.99 3kqc n THR 185 Cb 0.73 -2.14 -0.06 0.00 -2.10 0.00 0.00 70.33 66.77 3kqc n THR 185 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3kqc n LYS 186 N -4.38 1.63 -2.02 -0.78 4.81 -1.26 -4.77 118.16 111.38 3kqc n LYS 186 Ca -0.32 0.59 -0.40 0.00 -0.87 0.00 0.00 58.31 57.31 3kqc n LYS 186 Cb 0.67 -2.33 -0.00 0.00 0.02 0.00 0.00 35.03 33.38 3kqc n LYS 186 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 3kqc n GLN 187 N 4.86 4.41 -3.93 1.64 6.02 -1.26 -4.59 117.38 124.53 3kqc n GLN 187 Ca 0.22 -3.43 -0.18 0.00 -0.01 0.00 0.00 57.00 53.61 3kqc n GLN 187 Cb 0.22 -2.68 -0.16 0.00 1.02 0.00 0.00 30.24 28.63 3kqc n GLN 187 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3kqc s GLU 188 N -0.79 0.35 0.16 -1.09 2.02 -1.26 -4.61 118.70 113.48 3kqc s GLU 188 Ca 0.52 0.08 -0.23 0.00 0.02 0.00 0.00 54.97 55.35 3kqc s GLU 188 Cb 0.17 -0.54 0.08 0.00 0.10 0.00 0.00 34.13 33.93 3kqc s GLU 188 CO -0.08 -0.15 1.05 0.34 0.02 0.00 0.00 175.26 176.44 3kqc s ASP 189 N 1.12 -0.04 0.79 -0.19 3.68 -0.81 -4.49 116.67 116.73 3kqc s ASP 189 Ca -0.08 -0.57 -0.12 0.00 2.13 0.00 0.00 52.55 53.92 3kqc s ASP 189 Cb -0.13 0.46 0.07 0.00 -1.45 0.00 0.00 42.92 41.86 3kqc s ASP 189 CO -0.02 -0.90 1.10 0.00 0.13 0.00 0.00 175.17 175.49 3kqc s ALA 190 N -2.41 2.32 0.34 3.66 0.00 -1.26 -0.26 121.76 124.16 3kqc s ALA 190 Ca 0.20 -0.27 -0.03 0.00 0.00 0.00 0.00 51.96 51.86 3kqc s ALA 190 Cb -0.02 -3.08 0.01 0.00 0.00 0.00 0.00 23.12 20.03 3kqc s ALA 190 CO 0.04 -1.68 0.49 0.00 0.00 0.00 0.00 175.76 174.61 3kqc n GLN 192 N -0.56 1.87 0.00 0.00 7.27 -1.26 -1.45 117.38 123.25 3kqc n GLN 192 Ca 0.00 0.67 0.00 0.00 0.07 0.00 0.00 57.00 57.74 3kqc n GLN 192 Cb 0.57 -2.31 0.00 0.00 2.41 0.00 0.00 30.24 30.91 3kqc n GLN 192 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3kqc n GLY 193 N 2.31 2.76 0.10 1.69 0.00 -1.26 -1.37 105.19 109.42 3kqc n GLY 193 Ca 0.13 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.27 3kqc n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3kqc h ASP 194 N 0.00 0.00 -1.68 1.61 3.32 -1.53 -3.29 116.42 114.85 3kqc h ASP 194 Ca 0.00 -0.09 -0.68 0.00 0.02 0.00 0.00 57.03 56.28 3kqc h ASP 194 Cb 0.00 0.00 0.07 0.00 0.22 0.00 0.00 39.33 39.62 3kqc h ASP 194 CO 0.00 0.04 0.29 -1.20 -1.72 0.00 0.00 179.24 176.65 3kqc n SER 195 N -2.30 1.19 0.00 6.45 7.64 -1.26 -1.11 113.62 124.23 3kqc n SER 195 Ca 0.04 1.13 0.00 0.00 1.01 0.00 0.00 58.87 61.06 3kqc n SER 195 Cb 0.45 -1.16 0.00 0.00 -1.01 0.00 0.00 64.21 62.49 3kqc n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kqc n GLY 196 N 2.15 2.75 3.68 0.23 0.00 0.38 -0.03 105.19 114.35 3kqc n GLY 196 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 3kqc n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kqc s GLY 197 N -1.97 1.60 0.35 -0.02 0.00 -0.27 -3.13 107.32 103.88 3kqc s GLY 197 Ca 0.00 -0.78 -0.24 0.00 0.00 0.00 0.00 44.72 43.70 3kqc s GLY 197 CO 0.00 -0.02 0.94 -4.14 0.00 0.00 0.00 173.10 169.88 3kqc s PRO 198 N -5.33 4.48 -0.22 2.90 0.02 -1.26 -1.89 135.00 133.70 3kqc s PRO 198 Ca 0.69 1.25 0.01 0.00 0.02 0.00 0.00 61.00 62.97 3kqc s PRO 198 Cb -0.12 -2.64 0.05 0.00 0.02 0.00 0.00 34.50 31.81 3kqc s PRO 198 CO 0.56 0.20 -0.08 -1.58 -0.33 0.00 0.00 177.00 175.77 3kqc s HIS 199 N -1.76 2.49 0.14 6.54 2.46 -0.77 -2.67 115.29 121.73 3kqc s HIS 199 Ca 0.53 -1.72 0.10 0.00 0.47 0.00 0.00 55.06 54.43 3kqc s HIS 199 Cb -0.16 -1.64 -0.04 0.00 -0.13 0.00 0.00 32.58 30.61 3kqc s HIS 199 CO 0.21 -0.77 -0.18 0.14 -2.47 0.00 0.00 174.74 171.67 3kqc s VAL 200 N 1.37 2.76 -0.10 0.89 -7.23 -0.01 -0.98 120.40 117.10 3kqc s VAL 200 Ca -0.04 -1.65 0.03 0.00 -1.81 0.00 0.00 61.98 58.51 3kqc s VAL 200 Cb -0.18 -2.29 0.01 0.00 0.56 0.00 0.00 36.38 34.48 3kqc s VAL 200 CO -0.07 0.02 -0.20 -0.89 -0.31 0.00 0.00 175.10 173.66 3kqc s THR 201 N -1.33 1.76 0.07 5.32 2.01 -0.09 0.25 115.64 123.63 3kqc s THR 201 Ca 0.19 -0.83 -0.27 0.00 0.31 0.00 0.00 61.69 61.09 3kqc s THR 201 Cb -0.10 -1.55 -0.06 0.00 0.01 0.00 0.00 72.50 70.81 3kqc s THR 201 CO 0.11 0.49 0.83 -0.60 -0.69 0.00 0.00 174.62 174.76 3kqc s ARG 202 N 0.55 4.56 -0.14 4.92 3.52 -1.26 -1.16 118.95 129.94 3kqc s ARG 202 Ca -0.15 1.19 -0.04 0.00 -0.13 0.00 0.00 55.73 56.60 3kqc s ARG 202 Cb -0.17 -3.36 0.06 0.00 -1.56 0.00 0.00 34.95 29.92 3kqc s ARG 202 CO 0.05 0.27 0.14 0.12 -0.81 0.00 0.00 175.30 175.07 3kqc s PHE 203 N -0.08 -0.05 -1.35 5.12 5.36 0.16 -4.91 117.98 122.23 3kqc s PHE 203 Ca 0.41 0.15 -0.08 0.00 -0.96 0.00 0.00 56.93 56.45 3kqc s PHE 203 Cb -0.21 -0.46 0.00 0.00 -0.34 0.00 0.00 43.02 42.01 3kqc s PHE 203 CO 0.25 -0.43 0.46 1.63 -1.46 0.00 0.00 175.22 175.68 3kqc n LYS 204 N 5.31 -2.19 -1.19 10.12 5.02 -1.26 -1.44 118.16 132.52 3kqc n LYS 204 Ca -0.05 0.33 -0.07 0.00 -2.02 0.00 0.00 58.31 56.50 3kqc n LYS 204 Cb 0.49 -4.08 -0.03 0.00 -0.02 0.00 0.00 35.03 31.39 3kqc n LYS 204 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3kqc n ASP 205 N -2.81 -4.72 -4.18 4.39 10.43 -1.26 -5.00 116.55 113.39 3kqc n ASP 205 Ca -0.25 0.17 -0.31 0.00 2.57 0.00 0.00 54.79 56.97 3kqc n ASP 205 Cb 0.66 -2.82 -0.17 0.00 1.84 0.00 0.00 41.12 40.63 3kqc n ASP 205 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 3kqc s THR 206 N -1.94 1.94 -0.26 -3.53 2.01 -0.52 -5.11 115.64 108.23 3kqc s THR 206 Ca 0.00 -0.94 -0.13 0.00 0.31 0.00 0.00 61.69 60.93 3kqc s THR 206 Cb 0.00 -1.70 -0.04 0.00 0.01 0.00 0.00 72.50 70.77 3kqc s THR 206 CO 0.00 0.53 0.28 -0.31 -0.69 0.00 0.00 174.62 174.43 3kqc s TYR 207 N 0.51 3.27 -0.11 4.92 1.51 -1.26 -0.67 117.35 125.52 3kqc s TYR 207 Ca -0.15 0.31 -0.02 0.00 -1.01 0.00 0.00 57.07 56.21 3kqc s TYR 207 Cb -0.17 -2.44 -0.03 0.00 -0.11 0.00 0.00 41.96 39.21 3kqc s TYR 207 CO 0.06 -0.11 -0.05 -0.06 -1.11 0.00 0.00 175.55 174.27 3kqc s PHE 208 N 1.65 3.00 -0.18 2.71 0.40 -0.31 -1.76 117.98 123.49 3kqc s PHE 208 Ca 0.12 -0.14 -0.29 0.00 -0.60 0.00 0.00 56.93 56.02 3kqc s PHE 208 Cb -0.15 -1.84 -0.03 0.00 0.51 0.00 0.00 43.02 41.51 3kqc s PHE 208 CO 0.09 0.15 1.49 0.54 0.70 0.00 0.00 175.22 178.19 3kqc s VAL 209 N -0.22 3.88 -0.02 -0.44 0.11 0.16 -0.92 120.40 122.95 3kqc s VAL 209 Ca 0.04 1.03 0.09 0.00 -2.93 0.00 0.00 61.98 60.20 3kqc s VAL 209 Cb -0.13 -3.79 -0.14 0.00 -1.53 0.00 0.00 36.38 30.79 3kqc s VAL 209 CO 0.02 -0.23 0.18 0.35 -3.33 0.00 0.00 175.10 172.09 3kqc n THR 210 N 5.93 0.07 -3.87 5.04 -2.24 -0.15 -4.59 114.28 114.47 3kqc n THR 210 Ca 0.17 -0.23 -0.09 0.00 -2.27 0.00 0.00 64.05 61.63 3kqc n THR 210 Cb 0.45 0.16 -0.05 0.00 -2.10 0.00 0.00 70.33 68.79 3kqc n THR 210 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3kqc s GLY 211 N -3.17 0.22 -0.17 3.38 0.00 -0.46 -2.41 107.32 104.71 3kqc s GLY 211 Ca -0.03 -0.57 0.01 0.00 0.00 0.00 0.00 44.72 44.12 3kqc s GLY 211 CO 0.37 -0.51 -0.15 -0.42 0.00 0.00 0.00 173.10 172.39 3kqc s ILE 212 N -3.94 1.77 -0.27 0.90 1.01 -0.96 -1.84 121.20 117.87 3kqc s ILE 212 Ca 0.15 -0.83 -0.37 0.00 0.00 0.00 0.00 60.65 59.59 3kqc s ILE 212 Cb 0.00 -1.67 -0.14 0.00 0.01 0.00 0.00 42.46 40.67 3kqc s ILE 212 CO 0.01 0.42 1.93 0.52 0.00 0.00 0.00 174.94 177.82 3kqc n VAL 213 N 4.70 0.32 -0.02 2.92 0.31 -0.79 -0.86 118.33 124.90 3kqc n VAL 213 Ca -0.18 -0.13 -0.04 0.00 -0.01 0.00 0.00 64.34 63.98 3kqc n VAL 213 Cb 0.49 -1.48 -0.01 0.00 -0.91 0.00 0.00 33.84 31.93 3kqc n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3kqc n SER 214 N 7.14 1.19 -3.32 4.52 2.88 -0.24 -0.47 113.62 125.32 3kqc n SER 214 Ca 0.31 0.18 -0.06 0.00 -1.33 0.00 0.00 58.87 57.98 3kqc n SER 214 Cb 0.19 -0.49 0.01 0.00 -0.75 0.00 0.00 64.21 63.17 3kqc n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 3kqc s TRP 215 N -2.13 0.02 -0.11 0.66 1.48 -0.59 -4.89 118.94 113.38 3kqc s TRP 215 Ca -0.12 -0.52 -0.31 0.00 -1.06 0.00 0.00 56.10 54.08 3kqc s TRP 215 Cb 0.02 0.75 0.12 0.00 -1.16 0.00 0.00 33.47 33.20 3kqc s TRP 215 CO 0.18 -1.20 1.05 0.20 -4.06 0.00 0.00 176.95 173.12 3kqc s GLY 216 N -3.14 -0.35 -0.78 3.67 0.00 -1.26 -0.13 107.32 105.32 3kqc s GLY 216 Ca 0.16 1.46 -0.19 0.00 0.00 0.00 0.00 44.72 46.15 3kqc s GLY 216 CO 0.07 0.54 0.97 -0.54 0.00 0.00 0.00 173.10 174.14 3kqc s GLU 217 N -2.48 3.36 2.44 2.90 2.02 -1.26 -4.85 118.70 120.82 3kqc s GLU 217 Ca 0.06 -1.49 0.00 0.00 0.02 0.00 0.00 54.97 53.56 3kqc s GLU 217 Cb -0.01 -4.56 0.00 0.00 0.10 0.00 0.00 34.13 29.66 3kqc s GLU 217 CO -0.06 -1.70 0.00 0.41 0.02 0.00 0.00 175.26 173.94 3kqc n GLY 218 N 5.28 -0.86 2.82 -1.39 0.00 -1.26 -4.67 105.19 105.11 3kqc n GLY 218 Ca 0.09 -1.18 -0.17 0.00 0.00 0.00 0.00 46.02 44.76 3kqc n GLY 218 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqc n ALA 221 N 4.13 -0.30 -1.80 0.00 0.00 -1.26 -4.66 120.51 116.63 3kqc n ALA 221 Ca -0.26 0.32 -0.41 0.00 0.00 0.00 0.00 53.44 53.09 3kqc n ALA 221 Cb 0.50 -1.96 -0.02 0.00 0.00 0.00 0.00 19.45 17.97 3kqc n ALA 221 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3kqc s ARG 222 N -3.66 4.37 0.29 0.00 0.52 -1.26 -4.51 118.95 114.70 3kqc s ARG 222 Ca 0.00 2.18 -0.30 0.00 -0.52 0.00 0.00 55.73 57.09 3kqc s ARG 222 Cb 0.00 -3.09 -0.12 0.00 0.52 0.00 0.00 34.95 32.26 3kqc s ARG 222 CO 0.00 -0.18 1.61 1.63 0.02 0.00 0.00 175.30 178.37 3kqc n LYS 223 N 1.09 2.70 -0.99 3.54 4.01 -1.26 -2.11 118.16 125.15 3kqc n LYS 223 Ca 0.01 0.96 0.00 0.00 -0.51 0.00 0.00 58.31 58.77 3kqc n LYS 223 Cb 0.42 -2.75 0.00 0.00 -0.51 0.00 0.00 35.03 32.19 3kqc n LYS 223 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3kqc n GLY 223 N 2.31 0.30 3.46 0.72 0.00 0.15 -5.00 105.19 107.13 3kqc n GLY 223 Ca 0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 3kqc n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kqc s LYS 224 N -0.83 1.63 0.17 1.61 -0.14 -0.90 -4.72 119.74 116.57 3kqc s LYS 224 Ca 0.00 -1.77 -0.00 0.00 -1.36 0.00 0.00 55.97 52.83 3kqc s LYS 224 Cb 0.00 -1.57 -0.04 0.00 -1.68 0.00 0.00 37.83 34.53 3kqc s LYS 224 CO 0.00 0.23 0.06 0.71 -0.76 0.00 0.00 175.35 175.59 3kqc s TYR 225 N -2.67 1.09 0.17 3.18 2.02 -1.26 -4.57 117.35 115.31 3kqc s TYR 225 Ca 0.29 -1.21 -0.30 0.00 -0.37 0.00 0.00 57.07 55.49 3kqc s TYR 225 Cb -0.02 -0.60 -0.07 0.00 -0.40 0.00 0.00 41.96 40.87 3kqc s TYR 225 CO 0.13 -0.45 1.04 0.20 -1.57 0.00 0.00 175.55 174.91 3kqc s GLY 226 N -3.13 2.93 -0.18 0.71 0.00 -0.46 -4.54 107.32 102.64 3kqc s GLY 226 Ca 0.29 0.72 -0.05 0.00 0.00 0.00 0.00 44.72 45.68 3kqc s GLY 226 CO 0.06 1.54 0.01 -0.42 0.00 0.00 0.00 173.10 174.29 3kqc s ILE 227 N -0.29 4.24 0.07 0.90 -1.09 0.81 -1.90 121.20 123.94 3kqc s ILE 227 Ca 0.48 -0.23 0.09 0.00 -2.23 0.00 0.00 60.65 58.76 3kqc s ILE 227 Cb -0.27 -2.90 -0.03 0.00 -1.58 0.00 0.00 42.46 37.68 3kqc s ILE 227 CO 0.33 0.46 -0.25 -0.31 -1.23 0.00 0.00 174.94 173.94 3kqc s TYR 228 N 0.53 2.22 0.06 3.97 1.51 -0.18 -1.08 117.35 124.38 3kqc s TYR 228 Ca -0.00 -0.40 -0.31 0.00 -1.01 0.00 0.00 57.07 55.35 3kqc s TYR 228 Cb -0.14 -1.29 -0.06 0.00 -0.11 0.00 0.00 41.96 40.37 3kqc s TYR 228 CO 0.02 0.18 1.22 0.99 -1.11 0.00 0.00 175.55 176.85 3kqc s THR 229 N -0.89 3.97 -0.61 -0.71 2.01 -0.04 -1.32 115.64 118.06 3kqc s THR 229 Ca 0.11 1.41 -0.28 0.00 0.31 0.00 0.00 61.69 63.25 3kqc s THR 229 Cb -0.10 -3.90 0.03 0.00 0.01 0.00 0.00 72.50 68.54 3kqc s THR 229 CO 0.03 0.11 1.20 -0.75 -0.69 0.00 0.00 174.62 174.52 3kqc s LYS 230 N 1.11 3.44 0.36 4.92 2.20 0.76 -2.25 119.74 130.28 3kqc s LYS 230 Ca 0.59 0.13 0.10 0.00 -0.36 0.00 0.00 55.97 56.43 3kqc s LYS 230 Cb -0.30 -4.05 0.84 0.00 -1.51 0.00 0.00 37.83 32.81 3kqc s LYS 230 CO 0.29 -1.77 1.86 0.28 -0.36 0.00 0.00 175.35 175.66 3kqc h VAL 231 N 6.13 0.81 -0.68 4.02 2.07 -1.80 -2.71 116.25 124.09 3kqc h VAL 231 Ca -0.26 -0.23 0.06 0.00 0.82 0.00 0.00 66.70 67.10 3kqc h VAL 231 Cb 1.06 0.09 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 3kqc h VAL 231 CO 1.20 0.12 0.45 0.71 0.02 0.00 0.00 177.57 180.07 3kqc h THR 232 N 0.67 1.01 0.00 2.57 1.35 -1.90 -1.28 112.91 115.32 3kqc h THR 232 Ca 0.45 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 66.08 3kqc h THR 232 Cb 0.77 0.26 0.00 0.00 -1.73 0.00 0.00 68.15 67.45 3kqc h THR 232 CO -0.21 0.13 0.00 0.00 -0.25 0.00 0.00 175.52 175.19 3kqc n ALA 233 N -2.46 1.34 -1.02 6.62 0.00 -1.02 -3.29 120.51 120.67 3kqc n ALA 233 Ca 0.10 0.06 0.03 0.00 0.00 0.00 0.00 53.44 53.63 3kqc n ALA 233 Cb 0.23 -1.24 0.04 0.00 0.00 0.00 0.00 19.45 18.49 3kqc n ALA 233 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3kqc n PHE 234 N -1.88 0.00 -0.34 0.00 3.72 -0.50 -4.88 117.46 113.58 3kqc n PHE 234 Ca 0.01 -0.41 0.01 0.00 -0.05 0.00 0.00 57.45 57.02 3kqc n PHE 234 Cb 0.11 -0.07 0.18 0.00 -0.94 0.00 0.00 39.48 38.76 3kqc n PHE 234 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 3kqc h LEU 235 N 0.00 1.03 -0.20 4.37 3.38 -1.51 0.17 115.31 122.55 3kqc h LEU 235 Ca 0.00 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 3kqc h LEU 235 Cb 0.97 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 3kqc h LEU 235 CO 0.00 0.69 -0.10 0.11 0.09 0.00 0.00 178.44 179.23 3kqc h LYS 236 N 1.18 0.42 -0.90 1.13 1.57 -1.90 0.18 116.57 118.26 3kqc h LYS 236 Ca 0.39 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.98 3kqc h LYS 236 Cb 0.06 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.31 3kqc h LYS 236 CO -0.13 0.71 0.53 2.35 -0.57 0.00 0.00 179.45 182.34 3kqc h TRP 237 N 0.11 1.19 -0.05 -1.35 7.01 -1.83 0.15 115.95 121.18 3kqc h TRP 237 Ca 0.04 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.03 3kqc h TRP 237 Cb 0.58 -0.39 -0.00 0.00 -2.10 0.00 0.00 29.16 27.25 3kqc h TRP 237 CO 0.06 0.80 -0.00 0.82 -2.79 0.00 0.00 178.44 177.33 3kqc h ILE 238 N 1.24 1.26 -0.17 2.65 2.04 -0.50 -0.99 117.51 123.05 3kqc h ILE 238 Ca 0.32 -0.79 0.04 0.00 1.00 0.00 0.00 64.86 65.43 3kqc h ILE 238 Cb -0.03 1.69 -0.04 0.00 -0.74 0.00 0.00 36.82 37.70 3kqc h ILE 238 CO -0.06 0.22 -0.07 -0.78 0.00 0.00 0.00 178.15 177.46 3kqc h ASP 239 N -0.21 -0.24 -0.24 1.72 1.82 -0.24 -2.27 116.42 116.76 3kqc h ASP 239 Ca 0.01 0.06 0.05 0.00 -0.39 0.00 0.00 57.03 56.77 3kqc h ASP 239 Cb 0.34 0.14 -0.05 0.00 0.68 0.00 0.00 39.33 40.44 3kqc h ASP 239 CO 0.00 -0.10 -0.09 0.03 -1.61 0.00 0.00 179.24 177.47 3kqc h ARG 240 N -0.05 -0.05 -0.76 0.28 3.08 -0.71 -2.24 114.38 113.93 3kqc h ARG 240 Ca 0.09 0.00 0.15 0.00 0.07 0.00 0.00 59.98 60.29 3kqc h ARG 240 Cb 0.18 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.19 3kqc h ARG 240 CO -0.20 -0.03 0.51 0.77 -1.07 0.00 0.00 179.97 179.95 3kqc h SER 241 N -0.05 0.38 1.28 7.04 0.02 -0.74 -1.07 113.55 120.41 3kqc h SER 241 Ca 0.13 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 3kqc h SER 241 Cb 0.24 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.73 3kqc h SER 241 CO -0.28 0.20 0.00 0.23 -1.14 0.00 0.00 176.83 175.84 3kqc n MET 242 N -4.48 0.20 0.09 3.45 2.81 -0.85 -2.75 117.12 115.58 3kqc n MET 242 Ca 0.15 0.20 0.10 0.00 -1.81 0.00 0.00 57.70 56.33 3kqc n MET 242 Cb 0.54 -1.74 -0.02 0.00 -0.71 0.00 0.00 33.22 31.29 3kqc n MET 242 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 3kqc n LYS 243 N -2.09 0.61 0.00 0.03 5.02 -0.42 -5.12 118.16 116.19 3kqc n LYS 243 Ca 0.05 0.12 0.01 0.00 -2.02 0.00 0.00 58.31 56.48 3kqc n LYS 243 Cb 0.39 -1.81 0.01 0.00 -0.02 0.00 0.00 35.03 33.59 3kqc n LYS 243 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13