#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xka s VAL 17 N 0.00 5.21 0.00 1.39 1.01 0.35 -4.22 120.40 124.14 1xka s VAL 17 Ca 0.00 0.63 0.00 0.00 0.00 0.00 0.00 61.98 62.61 1xka s VAL 17 Cb 0.00 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.68 1xka s VAL 17 CO 0.00 0.24 0.00 0.61 0.00 0.00 0.00 175.10 175.95 1xka n GLY 18 N 4.12 -0.66 7.00 4.51 0.00 -1.26 -1.17 105.19 117.74 1xka n GLY 18 Ca -0.09 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.72 1xka n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xka n GLY 19 N 0.00 0.75 3.53 -0.02 0.00 -1.26 -4.92 105.19 103.27 1xka n GLY 19 Ca 0.00 -0.79 -0.10 0.00 0.00 0.00 0.00 46.02 45.13 1xka n GLY 19 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1xka s GLN 20 N 0.00 1.56 0.39 1.61 -2.07 -0.26 -4.99 119.66 115.91 1xka s GLN 20 Ca 0.00 -1.37 -0.25 0.00 -1.82 0.00 0.00 55.36 51.92 1xka s GLN 20 Cb 0.00 0.44 -0.09 0.00 -1.09 0.00 0.00 33.01 32.28 1xka s GLN 20 CO 0.00 -0.64 1.13 -2.00 -1.32 0.00 0.00 175.29 172.46 1xka s GLU 21 N -3.88 4.11 0.34 9.60 2.12 -1.26 0.80 118.70 130.53 1xka s GLU 21 Ca 0.25 1.73 -0.28 0.00 0.36 0.00 0.00 54.97 57.03 1xka s GLU 21 Cb 0.00 -2.65 -0.10 0.00 0.26 0.00 0.00 34.13 31.64 1xka s GLU 21 CO 0.11 -0.24 1.30 0.00 -0.54 0.00 0.00 175.26 175.89 1xka s LYS 23 N -1.87 3.80 -0.30 0.00 1.02 -1.26 -4.92 119.74 116.21 1xka s LYS 23 Ca 0.50 0.36 -0.33 0.00 0.02 0.00 0.00 55.97 56.53 1xka s LYS 23 Cb -0.39 -2.52 -0.14 0.00 -0.52 0.00 0.00 37.83 34.25 1xka s LYS 23 CO 0.52 0.15 1.09 -3.47 -0.92 0.00 0.00 175.35 172.73 1xka n ASP 24 N -0.70 0.73 0.00 2.83 2.03 -1.26 0.61 116.55 120.79 1xka n ASP 24 Ca 0.01 0.85 0.00 0.00 0.52 0.00 0.00 54.79 56.18 1xka n ASP 24 Cb 0.53 -0.64 0.00 0.00 -0.72 0.00 0.00 41.12 40.29 1xka n ASP 24 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xka n GLY 25 N 2.59 0.59 0.18 0.27 0.00 -1.26 -4.92 105.19 102.63 1xka n GLY 25 Ca 0.21 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.04 1xka n GLY 25 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1xka h GLU 26 N 1.64 0.63 -2.25 1.61 5.08 -0.19 -3.39 114.58 117.71 1xka h GLU 26 Ca 0.00 -0.65 -0.58 0.00 -1.00 0.00 0.00 59.36 57.12 1xka h GLU 26 Cb 0.10 0.18 -0.42 0.00 0.50 0.00 0.00 28.75 29.11 1xka h GLU 26 CO 0.00 1.25 -0.69 0.00 -1.00 0.00 0.00 179.01 178.58 1xka h PRO 28 N 3.11 0.00 -0.00 0.00 0.13 -1.78 -2.98 132.00 130.48 1xka h PRO 28 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1xka h PRO 28 Cb 0.56 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.69 1xka h PRO 28 CO 0.79 0.26 -0.00 -2.67 -0.23 0.00 0.00 178.00 176.15 1xka n TRP 29 N -3.55 0.00 -2.39 1.56 2.14 -0.99 -2.33 117.44 111.89 1xka n TRP 29 Ca -0.01 0.00 -0.41 0.00 2.07 0.00 0.00 57.50 59.15 1xka n TRP 29 Cb 0.41 -0.03 -0.03 0.00 -0.81 0.00 0.00 31.31 30.84 1xka n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1xka s GLN 30 N -2.07 4.49 0.20 -2.67 2.00 -1.13 0.24 119.66 120.72 1xka s GLN 30 Ca 0.46 1.84 0.09 0.00 -2.00 0.00 0.00 55.36 55.75 1xka s GLN 30 Cb 0.22 -3.26 -0.04 0.00 0.80 0.00 0.00 33.01 30.72 1xka s GLN 30 CO 0.38 -0.11 -0.18 0.00 -0.50 0.00 0.00 175.29 174.89 1xka s ALA 31 N 0.16 2.17 -0.11 1.58 0.00 0.33 -4.45 121.76 121.44 1xka s ALA 31 Ca 0.54 -1.62 -0.01 0.00 0.00 0.00 0.00 51.96 50.86 1xka s ALA 31 Cb -0.32 -0.17 0.03 0.00 0.00 0.00 0.00 23.12 22.66 1xka s ALA 31 CO 0.35 0.20 -0.02 -1.17 0.00 0.00 0.00 175.76 175.12 1xka s LEU 32 N -3.02 0.90 -0.41 0.00 2.96 -0.56 -1.75 118.68 116.80 1xka s LEU 32 Ca 0.21 -0.29 -0.29 0.00 -0.22 0.00 0.00 54.13 53.54 1xka s LEU 32 Cb -0.04 -0.60 0.02 0.00 0.50 0.00 0.00 46.19 46.07 1xka s LEU 32 CO 0.08 -0.19 1.13 -0.76 -1.32 0.00 0.00 176.35 175.29 1xka s LEU 33 N 1.86 3.76 -0.16 -0.68 1.43 -0.25 -0.55 118.68 124.10 1xka s LEU 33 Ca 0.04 0.73 -0.05 0.00 -1.03 0.00 0.00 54.13 53.82 1xka s LEU 33 Cb -0.13 -3.55 -0.03 0.00 0.03 0.00 0.00 46.19 42.51 1xka s LEU 33 CO -0.07 -1.11 0.02 0.27 0.23 0.00 0.00 176.35 175.70 1xka s ILE 34 N 4.17 4.42 0.29 -0.59 -4.36 0.06 -1.95 121.20 123.24 1xka s ILE 34 Ca 0.48 -0.17 -0.05 0.00 -0.26 0.00 0.00 60.65 60.64 1xka s ILE 34 Cb -0.10 -2.96 0.07 0.00 1.25 0.00 0.00 42.46 40.73 1xka s ILE 34 CO 0.25 0.49 0.29 -0.46 0.24 0.00 0.00 174.94 175.76 1xka n ASN 35 N 3.35 -0.92 0.17 4.36 0.23 -0.21 -1.13 115.26 121.11 1xka n ASN 35 Ca -0.17 -0.79 0.11 0.00 -0.53 0.00 0.00 54.58 53.20 1xka n ASN 35 Cb 0.52 -0.26 0.61 0.00 -2.08 0.00 0.00 39.78 38.58 1xka n ASN 35 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 1xka n GLU 36 N -2.17 0.15 -0.19 -3.83 0.00 -0.79 -0.19 120.64 113.61 1xka n GLU 36 Ca 0.04 0.64 0.11 0.00 0.00 0.00 0.00 57.16 57.95 1xka n GLU 36 Cb 0.15 -1.98 0.21 0.00 0.00 0.00 0.00 31.44 29.82 1xka n GLU 36 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1xka n GLU 37 N -2.29 2.47 -1.74 3.44 1.02 -1.26 -4.93 120.64 117.35 1xka n GLU 37 Ca -0.01 -2.27 -0.12 0.00 -0.02 0.00 0.00 57.16 54.73 1xka n GLU 37 Cb 0.04 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 29.93 1xka n GLU 37 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1xka n ASN 38 N 1.44 -4.24 -4.64 1.62 5.03 0.74 -5.00 115.26 110.20 1xka n ASN 38 Ca 0.19 0.17 -0.35 0.00 0.87 0.00 0.00 54.58 55.46 1xka n ASN 38 Cb 0.59 -3.09 -0.10 0.00 -1.02 0.00 0.00 39.78 36.16 1xka n ASN 38 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1xka s GLU 39 N -3.72 3.33 0.48 3.52 0.41 -1.26 -4.79 118.70 116.66 1xka s GLU 39 Ca 0.00 -0.41 -0.23 0.00 -0.41 0.00 0.00 54.97 53.93 1xka s GLU 39 Cb 0.00 -2.91 -0.07 0.00 -1.78 0.00 0.00 34.13 29.37 1xka s GLU 39 CO 0.00 0.53 1.20 0.20 -0.49 0.00 0.00 175.26 176.70 1xka s GLY 40 N -0.40 2.80 0.00 -1.39 0.00 -1.26 -1.05 107.32 106.02 1xka s GLY 40 Ca 0.08 1.01 0.00 0.00 0.00 0.00 0.00 44.72 45.81 1xka s GLY 40 CO 0.02 1.48 0.00 1.97 0.00 0.00 0.00 173.10 176.57 1xka n PHE 41 N -0.62 0.00 -3.58 1.90 1.16 -0.82 -4.89 117.46 110.60 1xka n PHE 41 Ca 0.08 0.00 -0.07 0.00 -1.87 0.00 0.00 57.45 55.59 1xka n PHE 41 Cb 0.48 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.33 1xka n PHE 41 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1xka n GLY 43 N -0.31 3.39 3.76 0.00 0.00 0.20 -1.09 105.19 111.14 1xka n GLY 43 Ca -0.08 -2.30 -0.04 0.00 0.00 0.00 0.00 46.02 43.61 1xka n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xka s GLY 44 N -3.10 -0.22 -0.11 -0.02 0.00 -0.71 -2.81 107.32 100.35 1xka s GLY 44 Ca 0.09 0.09 0.03 0.00 0.00 0.00 0.00 44.72 44.93 1xka s GLY 44 CO 0.06 0.03 -0.21 -1.59 0.00 0.00 0.00 173.10 171.39 1xka s THR 45 N -3.29 2.37 -0.17 0.90 2.01 0.34 -0.51 115.64 117.28 1xka s THR 45 Ca 0.12 -0.91 -0.29 0.00 0.31 0.00 0.00 61.69 60.92 1xka s THR 45 Cb -0.02 -1.93 -0.03 0.00 0.01 0.00 0.00 72.50 70.53 1xka s THR 45 CO 0.03 0.55 1.58 -0.63 -0.69 0.00 0.00 174.62 175.46 1xka s ILE 46 N 0.30 3.74 -0.13 1.82 1.01 0.14 -0.06 121.20 128.03 1xka s ILE 46 Ca -0.15 0.86 0.19 0.00 0.00 0.00 0.00 60.65 61.55 1xka s ILE 46 Cb -0.17 -3.68 -0.22 0.00 0.01 0.00 0.00 42.46 38.40 1xka s ILE 46 CO 0.08 -0.21 0.53 0.18 0.00 0.00 0.00 174.94 175.51 1xka n LEU 47 N 7.87 0.39 0.00 2.97 4.77 0.16 -1.61 117.00 131.54 1xka n LEU 47 Ca 0.18 0.17 0.01 0.00 -0.03 0.00 0.00 56.01 56.33 1xka n LEU 47 Cb 0.45 0.17 0.01 0.00 -2.33 0.00 0.00 43.42 41.71 1xka n LEU 47 CO 0.63 0.19 0.69 -1.54 -1.33 0.00 0.00 177.39 176.02 1xka n SER 48 N -2.67 -0.92 0.29 -1.43 3.41 -0.96 -4.72 113.62 106.62 1xka n SER 48 Ca -0.14 -1.30 0.14 0.00 -0.26 0.00 0.00 58.87 57.31 1xka n SER 48 Cb 0.84 1.44 0.85 0.00 -0.26 0.00 0.00 64.21 67.09 1xka n SER 48 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1xka h GLU 49 N 0.00 0.00 -0.00 4.33 4.11 -1.97 -3.00 114.58 118.05 1xka h GLU 49 Ca -0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.28 1xka h GLU 49 Cb 0.80 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.05 1xka h GLU 49 CO 0.22 0.02 -0.08 1.19 0.07 0.00 0.00 179.01 180.43 1xka n PHE 50 N -3.91 0.00 -4.72 2.06 3.72 -1.26 0.12 117.46 113.46 1xka n PHE 50 Ca -0.03 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.13 1xka n PHE 50 Cb 0.11 0.00 -0.16 0.00 -0.94 0.00 0.00 39.48 38.49 1xka n PHE 50 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 1xka s TYR 51 N -0.82 1.45 -0.06 1.38 2.02 -1.13 -0.96 117.35 119.22 1xka s TYR 51 Ca 0.04 -0.35 0.06 0.00 -0.37 0.00 0.00 57.07 56.44 1xka s TYR 51 Cb 0.03 -0.96 -0.01 0.00 -0.40 0.00 0.00 41.96 40.62 1xka s TYR 51 CO 0.10 -0.09 -0.24 0.42 -1.57 0.00 0.00 175.55 174.17 1xka s ILE 52 N -0.11 2.00 -0.11 2.71 -1.09 -0.65 0.36 121.20 124.31 1xka s ILE 52 Ca 0.01 -1.03 -0.10 0.00 -2.23 0.00 0.00 60.65 57.29 1xka s ILE 52 Cb -0.09 -1.70 -0.05 0.00 -1.58 0.00 0.00 42.46 39.05 1xka s ILE 52 CO 0.01 0.56 0.22 -0.22 -1.23 0.00 0.00 174.94 174.27 1xka s LEU 53 N -0.08 4.37 0.00 2.97 2.96 0.92 -0.31 118.68 129.51 1xka s LEU 53 Ca -0.06 0.56 -0.05 0.00 -0.22 0.00 0.00 54.13 54.37 1xka s LEU 53 Cb -0.14 -2.23 0.02 0.00 0.50 0.00 0.00 46.19 44.33 1xka s LEU 53 CO 0.04 0.32 0.35 1.07 -1.32 0.00 0.00 176.35 176.81 1xka n THR 54 N 2.33 0.00 -3.64 3.68 5.66 -0.10 -0.51 114.28 121.71 1xka n THR 54 Ca -0.17 -0.66 -0.37 0.00 -3.05 0.00 0.00 64.05 59.80 1xka n THR 54 Cb 0.54 0.53 -0.07 0.00 -1.55 0.00 0.00 70.33 69.78 1xka n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1xka s ALA 55 N -1.79 3.71 0.26 1.79 0.00 -1.26 -1.21 121.76 123.26 1xka s ALA 55 Ca 0.11 -0.46 -0.03 0.00 0.00 0.00 0.00 51.96 51.58 1xka s ALA 55 Cb -0.02 -2.25 0.41 0.00 0.00 0.00 0.00 23.12 21.25 1xka s ALA 55 CO 0.08 0.36 1.86 0.00 0.00 0.00 0.00 175.76 178.06 1xka h ALA 56 N 5.63 1.34 -0.01 0.00 0.00 -1.71 -1.64 119.26 122.87 1xka h ALA 56 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1xka h ALA 56 Cb 1.20 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 1xka h ALA 56 CO 0.67 0.35 0.08 1.12 0.00 0.00 0.00 179.25 181.47 1xka h HIS 57 N 1.08 0.00 0.00 0.00 2.07 -1.93 0.34 115.15 116.71 1xka h HIS 57 Ca 0.42 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.88 1xka h HIS 57 Cb 0.22 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.19 1xka h HIS 57 CO -0.01 0.00 -0.29 0.00 -3.07 0.00 0.00 177.93 174.56 1xka h LEU 59 N 0.00 0.00 -3.17 0.00 3.38 -0.40 -1.13 115.31 113.98 1xka h LEU 59 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xka h LEU 59 Cb 0.94 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1xka h LEU 59 CO 0.04 0.03 0.00 -1.22 0.09 0.00 0.00 178.44 177.38 1xka n TYR 60 N -3.54 1.51 -0.86 1.13 4.02 -1.08 -4.36 117.16 113.99 1xka n TYR 60 Ca -0.02 -0.63 0.08 0.00 -0.01 0.00 0.00 57.90 57.32 1xka n TYR 60 Cb 0.14 -0.26 0.16 0.00 -0.02 0.00 0.00 39.34 39.35 1xka n TYR 60 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 1xka n GLN 61 N 1.05 2.12 -3.67 -0.72 6.02 -0.43 -4.98 117.38 116.77 1xka n GLN 61 Ca 0.26 -2.50 -0.13 0.00 -0.01 0.00 0.00 57.00 54.62 1xka n GLN 61 Cb 0.91 -1.54 -0.08 0.00 1.02 0.00 0.00 30.24 30.55 1xka n GLN 61 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1xka s ALA 61 N -2.51 -1.47 0.04 -1.58 0.00 -1.26 -5.04 121.76 109.94 1xka s ALA 61 Ca 0.31 1.71 -0.26 0.00 0.00 0.00 0.00 51.96 53.72 1xka s ALA 61 Cb 0.26 -0.99 -0.17 0.00 0.00 0.00 0.00 23.12 22.21 1xka s ALA 61 CO 0.05 -0.28 1.49 0.87 0.00 0.00 0.00 175.76 177.89 1xka h LYS 62 N 5.38 -0.26 -3.42 0.00 1.79 -1.94 -3.45 116.57 114.67 1xka h LYS 62 Ca -0.29 0.02 -0.13 0.00 -2.18 0.00 0.00 60.65 58.07 1xka h LYS 62 Cb 1.17 0.06 -0.20 0.00 -1.58 0.00 0.00 32.23 31.68 1xka h LYS 62 CO 0.14 -0.04 -0.43 1.03 -1.08 0.00 0.00 179.45 179.07 1xka s ARG 63 N -5.38 0.55 0.17 3.15 0.52 -1.26 -5.07 118.95 111.63 1xka s ARG 63 Ca -0.15 -0.39 -0.12 0.00 -0.52 0.00 0.00 55.73 54.55 1xka s ARG 63 Cb 0.04 0.23 0.01 0.00 0.52 0.00 0.00 34.95 35.75 1xka s ARG 63 CO 0.62 -0.14 0.37 -0.59 0.02 0.00 0.00 175.30 175.58 1xka s PHE 64 N -1.53 0.17 0.19 -0.53 -0.12 -1.26 -1.89 117.98 113.02 1xka s PHE 64 Ca -0.13 -0.53 0.02 0.00 -0.05 0.00 0.00 56.93 56.24 1xka s PHE 64 Cb -0.06 0.11 -0.05 0.00 -0.63 0.00 0.00 43.02 42.39 1xka s PHE 64 CO 0.02 -0.78 0.00 0.15 -0.05 0.00 0.00 175.22 174.56 1xka s LYS 65 N -3.92 1.17 -0.26 1.99 1.02 -0.28 -4.63 119.74 114.83 1xka s LYS 65 Ca 0.13 -1.57 -0.07 0.00 0.02 0.00 0.00 55.97 54.48 1xka s LYS 65 Cb 0.02 -0.36 -0.02 0.00 -0.52 0.00 0.00 37.83 36.96 1xka s LYS 65 CO -0.02 -0.12 0.05 0.08 -0.92 0.00 0.00 175.35 174.42 1xka s VAL 66 N -3.60 4.07 -0.18 3.17 1.01 0.25 -0.76 120.40 124.36 1xka s VAL 66 Ca 0.25 -0.35 -0.06 0.00 0.00 0.00 0.00 61.98 61.82 1xka s VAL 66 Cb 0.06 -2.94 -0.03 0.00 0.00 0.00 0.00 36.38 33.46 1xka s VAL 66 CO 0.05 0.29 0.03 -0.60 0.00 0.00 0.00 175.10 174.87 1xka s ARG 67 N 1.57 3.83 0.37 2.72 3.52 0.29 0.76 118.95 132.00 1xka s ARG 67 Ca 0.05 -0.42 0.08 0.00 -0.13 0.00 0.00 55.73 55.32 1xka s ARG 67 Cb -0.15 -3.13 -0.06 0.00 -1.56 0.00 0.00 34.95 30.05 1xka s ARG 67 CO 0.02 0.20 0.03 0.14 -0.81 0.00 0.00 175.30 174.88 1xka s VAL 68 N 0.53 2.41 0.00 7.11 -7.23 0.35 -1.49 120.40 122.08 1xka s VAL 68 Ca 0.01 -1.95 0.00 0.00 -1.81 0.00 0.00 61.98 58.23 1xka s VAL 68 Cb -0.13 -2.86 0.00 0.00 0.56 0.00 0.00 36.38 33.95 1xka s VAL 68 CO 0.02 -0.13 0.00 0.61 -0.31 0.00 0.00 175.10 175.29 1xka n GLY 69 N -0.99 1.01 3.74 2.32 0.00 -1.26 -1.59 105.19 108.42 1xka n GLY 69 Ca -0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 1xka n GLY 69 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xka s ASP 70 N -2.83 7.20 0.00 1.61 -1.08 -1.26 -4.30 116.67 116.01 1xka s ASP 70 Ca 0.00 2.16 0.00 0.00 -0.52 0.00 0.00 52.55 54.19 1xka s ASP 70 Cb 0.00 -2.61 0.00 0.00 -1.46 0.00 0.00 42.92 38.85 1xka s ASP 70 CO 0.00 -0.27 0.00 0.54 0.52 0.00 0.00 175.17 175.96 1xka n ARG 71 N 2.30 2.11 -3.50 4.34 5.12 -1.26 -4.84 116.66 120.93 1xka n ARG 71 Ca 0.03 0.00 -0.21 0.00 -1.93 0.00 0.00 57.85 55.74 1xka n ARG 71 Cb 0.45 -0.97 -0.13 0.00 -1.16 0.00 0.00 32.46 30.65 1xka n ARG 71 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 1xka s ASN 72 N -2.41 2.03 0.09 0.55 2.47 -1.25 -2.15 114.94 114.27 1xka s ASN 72 Ca 0.00 -0.62 0.12 0.00 0.42 0.00 0.00 52.86 52.78 1xka s ASN 72 Cb 0.00 0.17 0.54 0.00 -1.45 0.00 0.00 41.25 40.51 1xka s ASN 72 CO 0.00 -0.37 1.37 0.35 -3.72 0.00 0.00 177.10 174.73 1xka n THR 73 N 5.30 1.33 -0.13 -5.21 -2.24 0.10 -3.05 114.28 110.37 1xka n THR 73 Ca -0.05 0.41 -0.08 0.00 -2.27 0.00 0.00 64.05 62.06 1xka n THR 73 Cb 0.47 -1.31 0.01 0.00 -2.10 0.00 0.00 70.33 67.40 1xka n THR 73 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1xka h GLU 74 N 0.00 0.53 -2.97 -0.78 5.08 -1.95 -3.46 114.58 111.03 1xka h GLU 74 Ca 0.00 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 1xka h GLU 74 Cb 0.14 -0.12 -0.15 0.00 0.50 0.00 0.00 28.75 29.12 1xka h GLU 74 CO 0.00 0.35 -0.00 1.14 -1.00 0.00 0.00 179.01 179.50 1xka s GLN 75 N -6.16 1.04 -0.13 2.33 -2.07 -1.17 -5.13 119.66 108.37 1xka s GLN 75 Ca -0.13 -0.38 -0.29 0.00 -1.82 0.00 0.00 55.36 52.74 1xka s GLN 75 Cb 0.11 0.47 -0.05 0.00 -1.09 0.00 0.00 33.01 32.45 1xka s GLN 75 CO 0.73 -0.39 1.69 -2.00 -1.32 0.00 0.00 175.29 174.00 1xka s GLU 76 N -2.83 3.96 -0.04 9.60 2.12 -1.26 -4.81 118.70 125.43 1xka s GLU 76 Ca -0.03 1.99 0.07 0.00 0.36 0.00 0.00 54.97 57.36 1xka s GLU 76 Cb -0.00 -4.04 0.15 0.00 0.26 0.00 0.00 34.13 30.50 1xka s GLU 76 CO -0.05 -1.11 1.10 0.39 -0.54 0.00 0.00 175.26 175.05 1xka n GLU 77 N 7.47 2.61 -0.44 4.30 1.02 -1.26 -5.10 120.64 129.23 1xka n GLU 77 Ca 0.19 -1.92 0.04 0.00 -0.02 0.00 0.00 57.16 55.45 1xka n GLU 77 Cb 0.44 -1.21 -0.02 0.00 -0.02 0.00 0.00 31.44 30.62 1xka n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xka n GLY 78 N -0.53 -2.93 0.62 0.62 0.00 -1.26 -4.91 105.19 96.81 1xka n GLY 78 Ca 0.07 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.80 1xka n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xka n GLY 79 N -2.51 3.08 3.82 -0.02 0.00 -1.26 -5.01 105.19 103.29 1xka n GLY 79 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 1xka n GLY 79 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xka s GLU 80 N -0.27 3.72 -0.14 1.61 8.01 -1.26 -4.61 118.70 125.76 1xka s GLU 80 Ca 0.00 1.14 -0.09 0.00 0.01 0.00 0.00 54.97 56.03 1xka s GLU 80 Cb 0.00 -2.09 0.05 0.00 -4.31 0.00 0.00 34.13 27.77 1xka s GLU 80 CO 0.00 -0.47 0.34 0.00 0.01 0.00 0.00 175.26 175.14 1xka s ALA 81 N -2.40 -0.85 -0.14 5.21 0.00 -0.62 -4.99 121.76 117.98 1xka s ALA 81 Ca 0.62 1.19 -0.07 0.00 0.00 0.00 0.00 51.96 53.71 1xka s ALA 81 Cb -0.13 -0.72 -0.04 0.00 0.00 0.00 0.00 23.12 22.22 1xka s ALA 81 CO 0.29 -0.21 0.10 0.08 0.00 0.00 0.00 175.76 176.02 1xka s VAL 82 N 0.94 5.13 -0.07 0.00 1.01 -1.26 -0.50 120.40 125.66 1xka s VAL 82 Ca -0.06 0.07 0.05 0.00 0.00 0.00 0.00 61.98 62.04 1xka s VAL 82 Cb -0.07 -3.25 -0.00 0.00 0.00 0.00 0.00 36.38 33.06 1xka s VAL 82 CO -0.07 0.56 -0.22 -1.00 0.00 0.00 0.00 175.10 174.37 1xka s HIS 83 N -0.52 2.21 0.31 5.22 3.76 0.23 -4.96 115.29 121.55 1xka s HIS 83 Ca 0.11 -0.75 -0.25 0.00 -0.15 0.00 0.00 55.06 54.03 1xka s HIS 83 Cb -0.12 -1.48 -0.10 0.00 1.11 0.00 0.00 32.58 32.00 1xka s HIS 83 CO 0.02 -0.27 0.91 -1.21 -0.85 0.00 0.00 174.74 173.34 1xka s GLU 84 N 0.11 4.51 -0.11 1.40 2.02 -1.26 -0.58 118.70 124.79 1xka s GLU 84 Ca -0.09 1.25 -0.21 0.00 0.02 0.00 0.00 54.97 55.94 1xka s GLU 84 Cb -0.15 -2.78 -0.04 0.00 0.10 0.00 0.00 34.13 31.27 1xka s GLU 84 CO 0.05 0.28 0.59 0.08 0.02 0.00 0.00 175.26 176.28 1xka s VAL 85 N -1.63 5.11 -0.18 2.63 1.01 -1.26 -0.54 120.40 125.53 1xka s VAL 85 Ca 0.50 1.18 -0.24 0.00 0.00 0.00 0.00 61.98 63.42 1xka s VAL 85 Cb -0.18 -3.92 -0.22 0.00 0.00 0.00 0.00 36.38 32.06 1xka s VAL 85 CO 0.23 0.26 0.42 -0.08 0.00 0.00 0.00 175.10 175.93 1xka h GLU 86 N 6.85 0.01 -3.90 2.72 4.81 -0.31 -3.44 114.58 121.33 1xka h GLU 86 Ca -0.40 -0.02 -0.22 0.00 -0.13 0.00 0.00 59.36 58.59 1xka h GLU 86 Cb 1.18 0.01 -0.25 0.00 0.63 0.00 0.00 28.75 30.32 1xka h GLU 86 CO 0.76 1.01 -0.72 0.54 -0.73 0.00 0.00 179.01 179.87 1xka s VAL 87 N -2.32 0.09 -0.21 0.32 0.11 -0.99 -5.01 120.40 112.39 1xka s VAL 87 Ca -0.25 -0.38 -0.05 0.00 -2.93 0.00 0.00 61.98 58.37 1xka s VAL 87 Cb 0.03 -0.15 -0.02 0.00 -1.53 0.00 0.00 36.38 34.71 1xka s VAL 87 CO 0.63 -0.18 -0.01 -0.69 -3.33 0.00 0.00 175.10 171.53 1xka s VAL 88 N -0.58 3.82 -0.67 2.04 1.01 -1.26 -0.78 120.40 123.98 1xka s VAL 88 Ca -0.06 -0.35 -0.01 0.00 0.00 0.00 0.00 61.98 61.56 1xka s VAL 88 Cb -0.04 -2.74 0.17 0.00 0.00 0.00 0.00 36.38 33.77 1xka s VAL 88 CO -0.00 0.42 0.49 -0.63 0.00 0.00 0.00 175.10 175.37 1xka s ILE 89 N 1.19 3.58 0.28 2.22 1.01 0.36 -5.00 121.20 124.84 1xka s ILE 89 Ca 0.03 -3.36 -0.16 0.00 0.00 0.00 0.00 60.65 57.16 1xka s ILE 89 Cb -0.15 -3.32 -0.09 0.00 0.01 0.00 0.00 42.46 38.92 1xka s ILE 89 CO 0.01 -0.92 0.72 -0.75 0.00 0.00 0.00 174.94 174.00 1xka s LYS 90 N -0.53 4.07 0.14 2.79 2.20 -1.26 -0.60 119.74 126.55 1xka s LYS 90 Ca 0.20 0.72 -0.31 0.00 -0.36 0.00 0.00 55.97 56.22 1xka s LYS 90 Cb -0.17 -2.59 -0.08 0.00 -1.51 0.00 0.00 37.83 33.48 1xka s LYS 90 CO -0.06 0.24 1.33 -1.58 -0.36 0.00 0.00 175.35 174.92 1xka s HIS 91 N -1.82 3.28 0.28 4.03 5.65 -0.73 -4.92 115.29 121.06 1xka s HIS 91 Ca 0.50 1.10 0.02 0.00 0.25 0.00 0.00 55.06 56.93 1xka s HIS 91 Cb -0.12 -3.61 0.57 0.00 -1.18 0.00 0.00 32.58 28.24 1xka s HIS 91 CO 0.19 -2.04 1.82 -0.91 -0.65 0.00 0.00 174.74 173.15 1xka h ASN 92 N 6.30 0.87 -0.32 9.88 -0.26 -1.92 -2.26 115.58 127.86 1xka h ASN 92 Ca -0.43 0.06 -0.01 0.00 -0.56 0.00 0.00 56.30 55.36 1xka h ASN 92 Cb 1.21 -0.11 -0.00 0.00 -1.06 0.00 0.00 38.32 38.36 1xka h ASN 92 CO 0.82 0.44 0.01 0.54 -1.06 0.00 0.00 177.43 178.18 1xka n ARG 93 N -4.67 3.08 -1.85 0.81 5.12 -1.26 -4.94 116.66 112.96 1xka n ARG 93 Ca 0.19 -1.70 -0.42 0.00 -1.93 0.00 0.00 57.85 53.99 1xka n ARG 93 Cb 0.39 -1.91 -0.02 0.00 -1.16 0.00 0.00 32.46 29.75 1xka n ARG 93 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 1xka s PHE 94 N -1.95 2.93 -0.18 -1.55 5.36 -0.85 -4.54 117.98 117.20 1xka s PHE 94 Ca 0.29 0.65 -0.01 0.00 -0.96 0.00 0.00 56.93 56.91 1xka s PHE 94 Cb 0.23 -4.01 0.00 0.00 -0.34 0.00 0.00 43.02 38.90 1xka s PHE 94 CO 0.09 -3.60 -0.14 0.99 -1.46 0.00 0.00 175.22 171.09 1xka s THR 95 N 0.66 2.64 0.06 0.12 2.01 -0.63 -4.97 115.64 115.53 1xka s THR 95 Ca 0.68 -0.76 0.33 0.00 0.31 0.00 0.00 61.69 62.25 1xka s THR 95 Cb -0.46 -2.14 0.37 0.00 0.01 0.00 0.00 72.50 70.28 1xka s THR 95 CO 0.38 0.50 1.98 0.11 -0.69 0.00 0.00 174.62 176.89 1xka h LYS 96 N 7.74 0.00 0.00 4.92 1.57 -1.93 0.45 116.57 129.31 1xka h LYS 96 Ca -0.40 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.22 1xka h LYS 96 Cb 1.16 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.45 1xka h LYS 96 CO 0.60 0.00 -0.98 1.49 -0.57 0.00 0.00 179.45 179.99 1xka h GLU 97 N 0.00 0.00 0.00 3.15 4.57 -1.98 -3.39 114.58 116.93 1xka h GLU 97 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1xka h GLU 97 Cb 0.42 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.01 1xka h GLU 97 CO 0.00 0.87 -0.83 0.25 -1.18 0.00 0.00 179.01 178.12 1xka n THR 98 N -4.49 0.04 -1.99 0.32 -2.24 -1.24 -4.95 114.28 99.74 1xka n THR 98 Ca -0.26 -0.07 -0.15 0.00 -2.27 0.00 0.00 64.05 61.30 1xka n THR 98 Cb 0.59 0.49 -0.03 0.00 -2.10 0.00 0.00 70.33 69.29 1xka n THR 98 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1xka n TYR 99 N -1.63 -0.47 -1.95 4.78 4.02 0.16 -4.97 117.16 117.10 1xka n TYR 99 Ca 0.04 0.00 -0.34 0.00 -0.01 0.00 0.00 57.90 57.59 1xka n TYR 99 Cb 0.36 -3.03 0.03 0.00 -0.02 0.00 0.00 39.34 36.69 1xka n TYR 99 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1xka s ASP 100 N -2.50 5.26 -1.47 7.72 2.15 -1.20 -2.78 116.67 123.85 1xka s ASP 100 Ca 0.00 2.14 -0.12 0.00 0.43 0.00 0.00 52.55 55.01 1xka s ASP 100 Cb 0.00 -2.57 0.06 0.00 -0.30 0.00 0.00 42.92 40.11 1xka s ASP 100 CO 0.00 -1.53 1.00 0.49 -0.17 0.00 0.00 175.17 174.96 1xka n PHE 101 N -1.93 -2.44 -1.42 -5.34 3.72 -1.26 -1.60 117.46 107.19 1xka n PHE 101 Ca 0.11 0.89 -0.40 0.00 -0.05 0.00 0.00 57.45 58.01 1xka n PHE 101 Cb 0.51 -4.30 -0.02 0.00 -0.94 0.00 0.00 39.48 34.74 1xka n PHE 101 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1xka n ASP 102 N -2.84 4.53 -3.84 4.37 2.03 -1.12 -4.26 116.55 115.42 1xka n ASP 102 Ca 0.02 -2.70 -0.12 0.00 0.52 0.00 0.00 54.79 52.51 1xka n ASP 102 Cb 0.54 -1.46 -0.12 0.00 -0.72 0.00 0.00 41.12 39.37 1xka n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1xka s ILE 103 N 3.46 0.03 -0.08 5.18 2.07 -1.26 -4.00 121.20 126.61 1xka s ILE 103 Ca 0.53 -0.27 -0.23 0.00 -1.41 0.00 0.00 60.65 59.27 1xka s ILE 103 Cb 0.14 -0.30 0.05 0.00 0.13 0.00 0.00 42.46 42.49 1xka s ILE 103 CO -0.03 -0.15 0.53 0.00 -1.91 0.00 0.00 174.94 173.38 1xka s ALA 104 N -0.48 -1.36 -0.01 1.50 0.00 -0.35 -1.78 121.76 119.29 1xka s ALA 104 Ca -0.06 1.06 0.06 0.00 0.00 0.00 0.00 51.96 53.03 1xka s ALA 104 Cb -0.04 -0.21 -0.03 0.00 0.00 0.00 0.00 23.12 22.85 1xka s ALA 104 CO 0.01 -0.31 -0.18 0.08 0.00 0.00 0.00 175.76 175.35 1xka s VAL 105 N -0.86 2.72 -0.16 0.00 1.01 0.23 -0.92 120.40 122.42 1xka s VAL 105 Ca -0.09 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 60.90 1xka s VAL 105 Cb -0.03 -2.07 0.00 0.00 0.00 0.00 0.00 36.38 34.28 1xka s VAL 105 CO 0.06 0.49 -0.15 -0.76 0.00 0.00 0.00 175.10 174.74 1xka s LEU 106 N -0.97 2.45 -0.18 3.92 1.43 0.58 -0.49 118.68 125.43 1xka s LEU 106 Ca 0.12 -0.49 -0.16 0.00 -1.03 0.00 0.00 54.13 52.57 1xka s LEU 106 Cb -0.10 -1.56 -0.04 0.00 0.03 0.00 0.00 46.19 44.52 1xka s LEU 106 CO 0.02 0.07 0.42 -0.60 0.23 0.00 0.00 176.35 176.49 1xka s ARG 107 N 0.89 4.23 0.28 1.70 6.06 0.04 -1.64 118.95 130.51 1xka s ARG 107 Ca -0.04 0.27 -0.12 0.00 -2.50 0.00 0.00 55.73 53.34 1xka s ARG 107 Cb -0.15 -3.50 -0.08 0.00 0.06 0.00 0.00 34.95 31.28 1xka s ARG 107 CO -0.01 0.03 0.65 -0.51 -2.50 0.00 0.00 175.30 172.96 1xka s LEU 108 N 1.06 4.10 0.20 -0.88 1.43 -0.13 0.38 118.68 124.85 1xka s LEU 108 Ca 0.21 1.10 -0.00 0.00 -1.03 0.00 0.00 54.13 54.40 1xka s LEU 108 Cb -0.15 -3.88 0.15 0.00 0.03 0.00 0.00 46.19 42.34 1xka s LEU 108 CO 0.08 -0.15 1.51 0.11 0.23 0.00 0.00 176.35 178.13 1xka h LYS 109 N 2.34 0.42 -5.79 1.70 1.57 -1.11 -3.41 116.57 112.29 1xka h LYS 109 Ca -0.47 -0.29 -0.56 0.00 -1.87 0.00 0.00 60.65 57.46 1xka h LYS 109 Cb 1.17 0.04 -0.28 0.00 0.08 0.00 0.00 32.23 33.24 1xka h LYS 109 CO 0.67 0.90 -0.84 0.99 -0.57 0.00 0.00 179.45 180.60 1xka s THR 110 N -3.83 1.46 0.17 -0.16 2.01 -1.26 -5.01 115.64 109.02 1xka s THR 110 Ca -0.06 -0.88 -0.30 0.00 0.31 0.00 0.00 61.69 60.76 1xka s THR 110 Cb 0.11 -1.24 -0.08 0.00 0.01 0.00 0.00 72.50 71.31 1xka s THR 110 CO 0.83 0.33 1.21 -2.16 -0.69 0.00 0.00 174.62 174.14 1xka s PRO 111 N -0.64 4.47 0.55 4.92 0.04 -1.26 -4.85 135.00 138.22 1xka s PRO 111 Ca 0.07 1.89 -0.21 0.00 0.04 0.00 0.00 61.00 62.79 1xka s PRO 111 Cb -0.07 -3.24 -0.05 0.00 0.04 0.00 0.00 34.50 31.17 1xka s PRO 111 CO -0.00 -0.13 1.24 0.42 0.04 0.00 0.00 177.00 178.57 1xka s ILE 112 N 0.09 2.57 -0.47 0.56 1.01 0.31 -4.97 121.20 120.31 1xka s ILE 112 Ca 0.54 0.39 -0.12 0.00 0.00 0.00 0.00 60.65 61.47 1xka s ILE 112 Cb -0.33 -3.18 0.10 0.00 0.01 0.00 0.00 42.46 39.06 1xka s ILE 112 CO 0.36 -0.04 0.36 -0.89 0.00 0.00 0.00 174.94 174.73 1xka s THR 113 N -1.49 4.60 0.15 2.92 2.01 -1.26 -4.76 115.64 117.80 1xka s THR 113 Ca 0.73 -1.50 -0.33 0.00 0.31 0.00 0.00 61.69 60.90 1xka s THR 113 Cb -0.33 -3.90 -0.12 0.00 0.01 0.00 0.00 72.50 68.16 1xka s THR 113 CO 0.38 -0.69 1.72 0.49 -0.69 0.00 0.00 174.62 175.83 1xka n PHE 114 N 5.03 2.54 -2.40 4.92 3.72 -1.26 -4.90 117.46 125.11 1xka n PHE 114 Ca -0.11 0.06 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 1xka n PHE 114 Cb 0.42 -2.65 0.00 0.00 -0.94 0.00 0.00 39.48 36.31 1xka n PHE 114 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 176.76 179.60 1xka n ARG 115 N 4.42 0.00 -1.72 -1.08 1.85 -0.41 -5.03 116.66 114.67 1xka n ARG 115 Ca 0.17 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.60 1xka n ARG 115 Cb 0.33 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.72 1xka n ARG 115 CO 0.00 0.00 0.00 -0.12 -0.01 0.00 0.00 177.63 177.50 1xka n MET 116 N 0.00 2.75 -1.53 2.89 0.00 -1.26 -1.82 117.12 118.14 1xka n MET 116 Ca 0.00 0.99 -0.17 0.00 -0.00 0.00 0.00 57.70 58.51 1xka n MET 116 Cb 0.00 -2.82 -0.07 0.00 0.00 0.00 0.00 33.22 30.33 1xka n MET 116 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 1xka n ASN 117 N 3.47 -5.09 -3.37 6.12 3.02 -1.26 -4.94 115.26 113.21 1xka n ASN 117 Ca 0.14 0.41 -0.15 0.00 -0.03 0.00 0.00 54.58 54.96 1xka n ASN 117 Cb 0.35 -4.12 -0.09 0.00 -0.61 0.00 0.00 39.78 35.31 1xka n ASN 117 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1xka s VAL 118 N -2.65 -0.47 0.04 2.41 1.01 -0.76 -3.99 120.40 115.99 1xka s VAL 118 Ca 0.00 -0.42 -0.26 0.00 0.00 0.00 0.00 61.98 61.30 1xka s VAL 118 Cb 0.00 -0.98 0.06 0.00 0.00 0.00 0.00 36.38 35.46 1xka s VAL 118 CO 0.00 -0.41 0.60 0.00 0.00 0.00 0.00 175.10 175.29 1xka s ALA 119 N 2.41 -1.55 0.63 5.51 0.00 -0.98 -1.29 121.76 126.49 1xka s ALA 119 Ca 0.09 0.84 -0.11 0.00 0.00 0.00 0.00 51.96 52.78 1xka s ALA 119 Cb -0.14 0.36 -0.03 0.00 0.00 0.00 0.00 23.12 23.31 1xka s ALA 119 CO -0.32 -0.51 1.04 -1.25 0.00 0.00 0.00 175.76 174.72 1xka s PRO 120 N -2.27 3.51 -0.08 0.00 0.04 -1.26 -2.33 135.00 132.60 1xka s PRO 120 Ca -0.06 0.72 -0.05 0.00 0.04 0.00 0.00 61.00 61.65 1xka s PRO 120 Cb -0.01 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 1xka s PRO 120 CO 0.00 -0.63 0.14 0.00 0.04 0.00 0.00 177.00 176.55 1xka s ALA 121 N -3.20 3.85 0.43 8.56 0.00 -0.64 -4.82 121.76 125.94 1xka s ALA 121 Ca 0.55 -0.70 -0.24 0.00 0.00 0.00 0.00 51.96 51.58 1xka s ALA 121 Cb -0.11 -1.90 -0.08 0.00 0.00 0.00 0.00 23.12 21.03 1xka s ALA 121 CO 0.54 0.66 1.17 0.00 0.00 0.00 0.00 175.76 178.13 1xka s LEU 123 N -2.73 4.03 0.66 0.00 1.43 -1.26 -0.64 118.68 120.16 1xka s LEU 123 Ca 0.60 0.08 -0.07 0.00 -1.03 0.00 0.00 54.13 53.71 1xka s LEU 123 Cb -0.30 -2.22 0.03 0.00 0.03 0.00 0.00 46.19 43.74 1xka s LEU 123 CO 0.37 -0.09 0.98 -2.16 0.23 0.00 0.00 176.35 175.68 1xka s PRO 124 N 1.85 2.65 0.10 1.29 0.04 -1.26 -5.00 135.00 134.67 1xka s PRO 124 Ca 0.09 0.02 -0.30 0.00 0.04 0.00 0.00 61.00 60.85 1xka s PRO 124 Cb -0.16 -2.18 -0.06 0.00 0.04 0.00 0.00 34.50 32.14 1xka s PRO 124 CO 0.11 -0.96 1.04 -1.21 0.04 0.00 0.00 177.00 176.02 1xka s GLU 124 N -5.16 4.60 0.18 4.56 2.02 -1.26 -4.92 118.70 118.71 1xka s GLU 124 Ca 0.57 1.57 -0.24 0.00 0.02 0.00 0.00 54.97 56.89 1xka s GLU 124 Cb -0.11 -3.36 0.07 0.00 0.10 0.00 0.00 34.13 30.83 1xka s GLU 124 CO 0.46 0.04 1.57 -0.09 0.02 0.00 0.00 175.26 177.27 1xka h ARG 125 N 5.88 -0.19 -0.56 1.61 2.43 -1.95 -1.47 114.38 120.13 1xka h ARG 125 Ca -0.43 0.01 0.08 0.00 -0.81 0.00 0.00 59.98 58.83 1xka h ARG 125 Cb 1.21 0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 30.74 1xka h ARG 125 CO 0.74 -0.12 0.22 -0.44 -1.51 0.00 0.00 179.97 178.86 1xka h ASP 126 N -0.19 0.25 -0.18 -3.80 3.32 -1.95 -2.20 116.42 111.66 1xka h ASP 126 Ca 0.20 0.06 -0.13 0.00 0.02 0.00 0.00 57.03 57.18 1xka h ASP 126 Cb 0.56 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.13 1xka h ASP 126 CO -0.71 0.16 -0.34 -0.25 -1.72 0.00 0.00 179.24 176.38 1xka h TRP 127 N 0.42 0.81 -0.48 4.55 7.01 -1.87 -2.24 115.95 124.15 1xka h TRP 127 Ca 0.27 -0.22 -0.03 0.00 2.11 0.00 0.00 58.89 61.02 1xka h TRP 127 Cb 0.30 -0.18 -0.02 0.00 -2.10 0.00 0.00 29.16 27.16 1xka h TRP 127 CO -0.15 0.94 0.18 0.00 -2.79 0.00 0.00 178.44 176.62 1xka h ALA 128 N 1.04 0.62 0.30 2.65 0.00 -0.97 0.53 119.26 123.43 1xka h ALA 128 Ca 0.06 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1xka h ALA 128 Cb 0.86 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1xka h ALA 128 CO 0.07 0.24 -0.14 0.93 0.00 0.00 0.00 179.25 180.35 1xka h GLU 129 N 0.63 -0.39 -0.09 0.00 5.08 -1.32 0.87 114.58 119.37 1xka h GLU 129 Ca 0.16 0.03 -0.19 0.00 -1.00 0.00 0.00 59.36 58.36 1xka h GLU 129 Cb 0.22 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 1xka h GLU 129 CO -0.01 -0.18 -0.74 0.66 -1.00 0.00 0.00 179.01 177.74 1xka h SER 130 N -0.52 0.53 0.00 1.42 4.64 -1.36 -3.30 113.55 114.96 1xka h SER 130 Ca -0.04 -0.35 -0.03 0.00 -0.47 0.00 0.00 61.79 60.90 1xka h SER 130 Cb 0.39 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1xka h SER 130 CO 0.07 1.10 -1.46 0.41 -0.87 0.00 0.00 176.83 176.07 1xka n THR 131 N -3.85 0.10 -0.09 2.95 -1.04 0.19 -4.45 114.28 108.08 1xka n THR 131 Ca -0.05 -0.24 -0.10 0.00 -2.04 0.00 0.00 64.05 61.63 1xka n THR 131 Cb 0.71 0.12 -0.03 0.00 -1.82 0.00 0.00 70.33 69.31 1xka n THR 131 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1xka n LEU 131 N -1.91 1.92 0.15 -4.42 4.32 0.19 -4.18 117.00 113.07 1xka n LEU 131 Ca -0.04 0.38 0.10 0.00 -0.02 0.00 0.00 56.01 56.43 1xka n LEU 131 Cb 0.33 -0.77 0.54 0.00 -1.62 0.00 0.00 43.42 41.90 1xka n LEU 131 CO 0.20 -0.25 0.81 0.23 -1.22 0.00 0.00 177.39 177.16 1xka n MET 131 N -4.47 0.13 -0.20 3.23 2.81 0.25 -0.10 117.12 118.76 1xka n MET 131 Ca -0.16 0.62 0.10 0.00 -1.81 0.00 0.00 57.70 56.46 1xka n MET 131 Cb 0.50 -1.95 0.27 0.00 -0.71 0.00 0.00 33.22 31.33 1xka n MET 131 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1xka n THR 132 N -2.20 0.53 -1.80 2.03 -2.24 -1.24 -4.92 114.28 104.44 1xka n THR 132 Ca -0.01 -0.64 -0.30 0.00 -2.27 0.00 0.00 64.05 60.83 1xka n THR 132 Cb 0.06 0.57 0.08 0.00 -2.10 0.00 0.00 70.33 68.93 1xka n THR 132 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1xka s GLN 133 N -1.47 2.26 0.08 -0.78 -1.52 0.85 -4.98 119.66 114.11 1xka s GLN 133 Ca 0.36 0.36 -0.17 0.00 -1.95 0.00 0.00 55.36 53.96 1xka s GLN 133 Cb 0.20 -1.96 -0.09 0.00 -0.22 0.00 0.00 33.01 30.94 1xka s GLN 133 CO 0.28 -1.43 1.44 0.87 -0.25 0.00 0.00 175.29 176.19 1xka h LYS 134 N -0.94 0.57 -4.90 2.91 1.57 -1.91 -3.42 116.57 110.44 1xka h LYS 134 Ca -0.46 -0.26 -0.47 0.00 -1.87 0.00 0.00 60.65 57.59 1xka h LYS 134 Cb 1.29 -0.01 -0.13 0.00 0.08 0.00 0.00 32.23 33.45 1xka h LYS 134 CO 0.64 0.83 -0.50 0.95 -0.57 0.00 0.00 179.45 180.79 1xka s THR 135 N -4.55 0.11 0.31 -0.16 -4.23 -1.26 -1.23 115.64 104.62 1xka s THR 135 Ca -0.13 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.43 1xka s THR 135 Cb 0.08 -2.47 -0.03 0.00 1.34 0.00 0.00 72.50 71.42 1xka s THR 135 CO 0.79 0.00 0.28 -0.83 -0.54 0.00 0.00 174.62 174.32 1xka s GLY 136 N -3.40 2.12 -0.05 3.99 0.00 0.09 -4.73 107.32 105.34 1xka s GLY 136 Ca 0.37 -1.96 0.04 0.00 0.00 0.00 0.00 44.72 43.17 1xka s GLY 136 CO 0.24 -1.41 -0.15 -0.42 0.00 0.00 0.00 173.10 171.35 1xka s ILE 137 N -3.51 1.33 0.05 0.90 1.09 0.21 -0.30 121.20 120.96 1xka s ILE 137 Ca 0.39 -0.64 0.08 0.00 -1.10 0.00 0.00 60.65 59.39 1xka s ILE 137 Cb 0.03 -1.16 -0.03 0.00 -1.06 0.00 0.00 42.46 40.24 1xka s ILE 137 CO 0.25 0.39 -0.23 0.54 -0.10 0.00 0.00 174.94 175.79 1xka s VAL 138 N 0.22 1.82 0.16 2.92 0.11 -0.11 0.23 120.40 125.75 1xka s VAL 138 Ca -0.07 -1.27 -0.04 0.00 -2.93 0.00 0.00 61.98 57.67 1xka s VAL 138 Cb -0.13 -1.57 -0.03 0.00 -1.53 0.00 0.00 36.38 33.12 1xka s VAL 138 CO 0.03 0.25 0.15 -0.94 -3.33 0.00 0.00 175.10 171.25 1xka s SER 139 N -1.21 0.19 0.00 3.54 1.04 -1.16 0.20 113.70 116.30 1xka s SER 139 Ca 0.09 -1.14 0.00 0.00 0.48 0.00 0.00 55.95 55.38 1xka s SER 139 Cb -0.09 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.39 1xka s SER 139 CO 0.02 -0.81 0.00 0.61 0.98 0.00 0.00 173.24 174.04 1xka n GLY 140 N -0.17 -0.43 0.91 7.32 0.00 -0.35 -4.37 105.19 108.09 1xka n GLY 140 Ca -0.05 -1.30 0.07 0.00 0.00 0.00 0.00 46.02 44.75 1xka n GLY 140 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1xka n PHE 141 N -1.02 0.86 -0.06 1.61 3.01 -1.26 -1.69 117.46 118.91 1xka n PHE 141 Ca 0.00 -0.69 0.00 0.00 1.01 0.00 0.00 57.45 57.77 1xka n PHE 141 Cb 0.00 -0.20 0.00 0.00 -0.01 0.00 0.00 39.48 39.27 1xka n PHE 141 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1xka n GLY 142 N 0.12 -3.54 3.71 1.37 0.00 -1.25 -0.06 105.19 105.55 1xka n GLY 142 Ca 0.18 -1.25 -0.42 0.00 0.00 0.00 0.00 46.02 44.53 1xka n GLY 142 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xka s ARG 143 N -2.77 4.16 0.06 1.61 0.52 0.12 -0.02 118.95 122.63 1xka s ARG 143 Ca 0.00 2.50 0.25 0.00 -0.52 0.00 0.00 55.73 57.96 1xka s ARG 143 Cb 0.00 -3.23 1.02 0.00 0.52 0.00 0.00 34.95 33.26 1xka s ARG 143 CO 0.00 -0.72 1.79 0.25 0.02 0.00 0.00 175.30 176.64 1xka n THR 144 N 4.17 0.37 -3.71 0.02 -2.24 -0.20 -2.21 114.28 110.48 1xka n THR 144 Ca 0.15 0.02 -0.14 0.00 -2.27 0.00 0.00 64.05 61.81 1xka n THR 144 Cb 0.37 -0.66 -0.08 0.00 -2.10 0.00 0.00 70.33 67.85 1xka n THR 144 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1xka s HIS 145 N -3.04 -0.31 0.56 4.78 3.76 -1.26 -4.15 115.29 115.64 1xka s HIS 145 Ca 0.11 0.54 0.48 0.00 -0.15 0.00 0.00 55.06 56.04 1xka s HIS 145 Cb 0.15 0.16 1.67 0.00 1.11 0.00 0.00 32.58 35.67 1xka s HIS 145 CO 0.48 -0.41 1.58 1.49 -0.85 0.00 0.00 174.74 177.03 1xka h GLU 146 N 3.93 0.00 0.00 1.40 4.81 -1.86 0.12 114.58 122.97 1xka h GLU 146 Ca -0.29 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.93 1xka h GLU 146 Cb 1.17 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.52 1xka h GLU 146 CO 0.38 0.00 -0.45 1.63 -0.73 0.00 0.00 179.01 179.84 1xka n LYS 147 N -3.91 0.27 -0.46 1.92 4.76 -1.26 -4.83 118.16 114.66 1xka n LYS 147 Ca 0.41 -1.42 0.00 0.00 -2.87 0.00 0.00 58.31 54.43 1xka n LYS 147 Cb 1.91 -0.67 0.00 0.00 -1.84 0.00 0.00 35.03 34.43 1xka n LYS 147 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1xka n GLY 149 N -0.25 1.02 3.91 0.72 0.00 0.42 -5.10 105.19 105.91 1xka n GLY 149 Ca 0.04 -1.96 -0.27 0.00 0.00 0.00 0.00 46.02 43.82 1xka n GLY 149 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xka s ARG 150 N -0.84 2.42 0.69 1.61 0.52 -1.26 -4.72 118.95 117.37 1xka s ARG 150 Ca 0.00 0.00 -0.11 0.00 -0.52 0.00 0.00 55.73 55.10 1xka s ARG 150 Cb 0.00 -2.12 0.00 0.00 0.52 0.00 0.00 34.95 33.35 1xka s ARG 150 CO 0.00 -1.16 1.07 -0.65 0.02 0.00 0.00 175.30 174.58 1xka s GLN 151 N -5.28 3.02 -0.07 3.54 -0.21 -1.26 -1.03 119.66 118.37 1xka s GLN 151 Ca 0.59 0.62 -0.23 0.00 0.02 0.00 0.00 55.36 56.36 1xka s GLN 151 Cb -0.11 -2.03 -0.04 0.00 1.00 0.00 0.00 33.01 31.84 1xka s GLN 151 CO 0.47 -0.96 0.70 0.45 -2.12 0.00 0.00 175.29 173.83 1xka s SER 152 N -4.19 6.98 0.11 5.90 0.15 0.97 -4.74 113.70 118.88 1xka s SER 152 Ca 0.57 1.18 0.26 0.00 0.70 0.00 0.00 55.95 58.67 1xka s SER 152 Cb -0.12 -2.41 0.99 0.00 -1.71 0.00 0.00 66.02 62.77 1xka s SER 152 CO 0.53 -0.13 1.81 0.35 1.20 0.00 0.00 173.24 177.00 1xka n THR 153 N 3.82 0.40 -4.52 6.45 -2.24 -1.26 -4.62 114.28 112.31 1xka n THR 153 Ca -0.01 -0.07 -0.32 0.00 -2.27 0.00 0.00 64.05 61.37 1xka n THR 153 Cb 0.51 -0.64 -0.11 0.00 -2.10 0.00 0.00 70.33 68.00 1xka n THR 153 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1xka s ARG 154 N -3.07 2.51 -0.06 -0.78 1.81 -1.26 0.00 118.95 118.10 1xka s ARG 154 Ca 0.11 -0.74 -0.30 0.00 -1.72 0.00 0.00 55.73 53.08 1xka s ARG 154 Cb 0.15 -2.46 -0.05 0.00 -0.45 0.00 0.00 34.95 32.14 1xka s ARG 154 CO 0.52 0.60 1.46 -1.17 -0.68 0.00 0.00 175.30 176.03 1xka s LEU 155 N -1.34 4.28 0.24 2.53 2.96 -0.91 -4.64 118.68 121.80 1xka s LEU 155 Ca 0.16 2.06 0.09 0.00 -0.22 0.00 0.00 54.13 56.22 1xka s LEU 155 Cb -0.11 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 42.99 1xka s LEU 155 CO 0.06 -0.81 -0.03 -0.54 -1.32 0.00 0.00 176.35 173.72 1xka s LYS 156 N 3.26 2.24 0.11 1.98 1.02 -0.68 -0.61 119.74 127.06 1xka s LYS 156 Ca 0.65 -1.35 0.03 0.00 0.02 0.00 0.00 55.97 55.32 1xka s LYS 156 Cb -0.30 -2.18 -0.04 0.00 -0.52 0.00 0.00 37.83 34.80 1xka s LYS 156 CO 0.25 0.39 -0.09 0.00 -0.92 0.00 0.00 175.35 174.97 1xka s MET 157 N -3.39 0.89 -0.17 1.68 0.23 0.24 -1.22 119.30 117.56 1xka s MET 157 Ca 0.29 -1.27 -0.09 0.00 -1.03 0.00 0.00 55.69 53.60 1xka s MET 157 Cb -0.07 -0.47 0.06 0.00 -1.53 0.00 0.00 34.83 32.82 1xka s MET 157 CO 0.19 0.06 0.40 -1.17 -2.03 0.00 0.00 175.02 172.46 1xka s LEU 158 N -2.76 -0.14 -0.07 0.18 0.20 0.13 -1.11 118.68 115.11 1xka s LEU 158 Ca 0.10 0.88 -0.25 0.00 0.69 0.00 0.00 54.13 55.54 1xka s LEU 158 Cb 0.00 1.30 -0.03 0.00 -0.43 0.00 0.00 46.19 47.04 1xka s LEU 158 CO -0.01 -0.20 0.80 -0.70 -0.29 0.00 0.00 176.35 175.95 1xka s GLU 159 N 1.55 4.43 -0.11 1.98 2.12 -1.26 -0.93 118.70 126.48 1xka s GLU 159 Ca -0.08 1.04 0.01 0.00 0.36 0.00 0.00 54.97 56.30 1xka s GLU 159 Cb -0.09 -3.48 0.02 0.00 0.26 0.00 0.00 34.13 30.84 1xka s GLU 159 CO -0.12 -0.06 -0.14 0.14 -0.54 0.00 0.00 175.26 174.54 1xka s VAL 160 N 1.17 1.42 0.60 3.70 -7.23 0.59 -4.94 120.40 115.72 1xka s VAL 160 Ca 0.41 -0.59 -0.18 0.00 -1.81 0.00 0.00 61.98 59.81 1xka s VAL 160 Cb -0.18 -1.31 -0.03 0.00 0.56 0.00 0.00 36.38 35.41 1xka s VAL 160 CO 0.19 0.43 1.20 -2.16 -0.31 0.00 0.00 175.10 174.45 1xka s PRO 161 N 1.08 2.92 0.32 4.82 0.04 -1.26 -0.73 135.00 142.19 1xka s PRO 161 Ca -0.05 1.79 -0.27 0.00 0.04 0.00 0.00 61.00 62.50 1xka s PRO 161 Cb -0.15 -1.93 -0.09 0.00 0.04 0.00 0.00 34.50 32.37 1xka s PRO 161 CO -0.03 -1.23 1.05 0.71 0.04 0.00 0.00 177.00 177.54 1xka s TYR 162 N -1.67 3.52 -0.11 0.56 2.02 -0.37 -0.64 117.35 120.67 1xka s TYR 162 Ca 0.76 1.71 0.02 0.00 -0.37 0.00 0.00 57.07 59.19 1xka s TYR 162 Cb -0.29 -3.17 -0.01 0.00 -0.40 0.00 0.00 41.96 38.08 1xka s TYR 162 CO 0.34 -0.41 -0.17 0.08 -1.57 0.00 0.00 175.55 173.81 1xka s VAL 163 N -1.37 2.71 0.49 0.71 1.01 0.03 -4.88 120.40 119.09 1xka s VAL 163 Ca 0.49 -0.80 -0.22 0.00 0.00 0.00 0.00 61.98 61.45 1xka s VAL 163 Cb -0.27 -2.09 -0.08 0.00 0.00 0.00 0.00 36.38 33.93 1xka s VAL 163 CO 0.34 0.54 1.04 -0.67 0.00 0.00 0.00 175.10 176.35 1xka n ASP 164 N 3.34 1.31 0.13 3.32 2.03 -1.26 -4.23 116.55 121.18 1xka n ASP 164 Ca -0.18 0.96 -0.13 0.00 0.52 0.00 0.00 54.79 55.96 1xka n ASP 164 Cb 0.53 -1.39 -0.06 0.00 -0.72 0.00 0.00 41.12 39.47 1xka n ASP 164 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 1xka h ARG 165 N 1.26 -0.55 -0.88 -0.67 2.43 -1.98 0.25 114.38 114.24 1xka h ARG 165 Ca -0.47 0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 58.72 1xka h ARG 165 Cb 1.34 0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 30.97 1xka h ARG 165 CO 0.55 -0.37 0.46 -0.91 -1.51 0.00 0.00 179.97 178.19 1xka h ASN 166 N -0.57 1.11 -0.68 -3.80 -0.26 -1.98 0.59 115.58 109.99 1xka h ASN 166 Ca 0.02 -0.11 -0.00 0.00 -0.56 0.00 0.00 56.30 55.65 1xka h ASN 166 Cb 0.59 -0.28 -0.03 0.00 -1.06 0.00 0.00 38.32 37.54 1xka h ASN 166 CO -0.18 0.90 0.41 -1.28 -1.06 0.00 0.00 177.43 176.22 1xka h SER 167 N 1.23 0.81 0.31 5.81 0.87 -1.86 0.22 113.55 120.95 1xka h SER 167 Ca 0.31 -0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.79 1xka h SER 167 Cb 0.06 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 61.81 1xka h SER 167 CO -0.05 0.64 -0.15 0.00 -0.53 0.00 0.00 176.83 176.74 1xka h LYS 169 N -0.64 -0.36 -0.67 0.00 1.57 0.33 -0.96 116.57 115.84 1xka h LYS 169 Ca -0.04 0.02 0.14 0.00 -1.87 0.00 0.00 60.65 58.91 1xka h LYS 169 Cb 0.45 0.08 -0.12 0.00 0.08 0.00 0.00 32.23 32.73 1xka h LYS 169 CO 0.07 -0.24 -0.05 1.25 -0.57 0.00 0.00 179.45 179.91 1xka h LEU 170 N -0.38 -0.40 -0.18 2.94 7.12 -0.52 0.20 115.31 124.09 1xka h LEU 170 Ca 0.08 0.18 0.00 0.00 0.13 0.00 0.00 57.88 58.27 1xka h LEU 170 Cb 0.49 0.34 0.00 0.00 -0.53 0.00 0.00 40.66 40.96 1xka h LEU 170 CO -0.28 -0.17 0.00 -1.54 -0.13 0.00 0.00 178.44 176.33 1xka n SER 171 N -5.35 0.34 -4.79 1.25 3.41 -0.67 -4.79 113.62 103.02 1xka n SER 171 Ca 0.10 0.56 -0.37 0.00 -0.26 0.00 0.00 58.87 58.90 1xka n SER 171 Cb 0.39 -0.64 -0.06 0.00 -0.26 0.00 0.00 64.21 63.63 1xka n SER 171 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1xka s SER 172 N -3.64 6.64 0.02 4.04 0.15 0.71 -4.74 113.70 116.88 1xka s SER 172 Ca 0.09 0.76 0.25 0.00 0.70 0.00 0.00 55.95 57.75 1xka s SER 172 Cb 0.12 -2.22 0.47 0.00 -1.71 0.00 0.00 66.02 62.68 1xka s SER 172 CO 0.43 0.22 1.39 -1.54 1.20 0.00 0.00 173.24 174.94 1xka n SER 173 N 2.60 0.53 -4.52 5.45 3.41 -1.26 -4.87 113.62 114.96 1xka n SER 173 Ca -0.13 -0.19 -0.24 0.00 -0.26 0.00 0.00 58.87 58.05 1xka n SER 173 Cb 0.52 0.26 -0.09 0.00 -0.26 0.00 0.00 64.21 64.64 1xka n SER 173 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1xka s PHE 174 N -3.03 2.41 0.20 7.33 0.08 -1.26 -5.11 117.98 118.59 1xka s PHE 174 Ca 0.10 -0.30 -0.31 0.00 0.12 0.00 0.00 56.93 56.54 1xka s PHE 174 Cb 0.17 -1.05 -0.10 0.00 -0.57 0.00 0.00 43.02 41.47 1xka s PHE 174 CO 0.71 0.69 1.51 -1.50 -0.10 0.00 0.00 175.22 176.52 1xka s ILE 175 N -2.43 2.67 -0.41 0.64 2.07 -1.26 -4.99 121.20 117.49 1xka s ILE 175 Ca 0.30 0.51 -0.06 0.00 -1.41 0.00 0.00 60.65 59.99 1xka s ILE 175 Cb -0.05 -3.33 0.09 0.00 0.13 0.00 0.00 42.46 39.30 1xka s ILE 175 CO 0.16 0.06 0.22 -0.63 -1.91 0.00 0.00 174.94 172.84 1xka s ILE 176 N 0.67 3.74 0.70 2.00 -1.09 -1.26 -5.03 121.20 120.92 1xka s ILE 176 Ca 0.65 -1.67 -0.09 0.00 -2.23 0.00 0.00 60.65 57.32 1xka s ILE 176 Cb -0.43 -3.38 0.04 0.00 -1.58 0.00 0.00 42.46 37.11 1xka s ILE 176 CO 0.36 -0.55 1.04 0.42 -1.23 0.00 0.00 174.94 174.98 1xka s THR 177 N 1.30 2.84 -1.73 2.92 -4.23 -1.26 -4.94 115.64 110.53 1xka s THR 177 Ca 0.04 0.02 0.14 0.00 -1.18 0.00 0.00 61.69 60.71 1xka s THR 177 Cb -0.23 -3.22 0.33 0.00 1.34 0.00 0.00 72.50 70.72 1xka s THR 177 CO -0.01 -0.26 1.32 1.67 -0.54 0.00 0.00 174.62 176.80 1xka n GLN 178 N -2.93 0.33 -0.32 3.99 -0.06 -1.26 -1.14 117.38 115.98 1xka n GLN 178 Ca 0.07 0.07 0.10 0.00 -2.00 0.00 0.00 57.00 55.25 1xka n GLN 178 Cb 0.59 -1.50 0.28 0.00 -4.06 0.00 0.00 30.24 25.55 1xka n GLN 178 CO 0.00 0.00 0.00 0.09 -0.20 0.00 0.00 177.06 176.95 1xka n ASN 179 N -1.13 3.42 -4.31 1.69 3.02 -1.26 -4.84 115.26 111.84 1xka n ASN 179 Ca 0.09 -2.00 -0.16 0.00 -0.03 0.00 0.00 54.58 52.48 1xka n ASN 179 Cb 0.08 -0.42 -0.10 0.00 -0.61 0.00 0.00 39.78 38.72 1xka n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1xka s MET 180 N -1.15 1.37 0.20 3.52 -1.94 -0.30 -0.17 119.30 120.84 1xka s MET 180 Ca 0.43 -1.73 -0.20 0.00 -1.71 0.00 0.00 55.69 52.48 1xka s MET 180 Cb 0.22 -0.30 0.04 0.00 2.01 0.00 0.00 34.83 36.80 1xka s MET 180 CO 0.29 -0.26 0.59 -0.59 -0.01 0.00 0.00 175.02 175.04 1xka s PHE 181 N -3.71 -0.24 0.03 -0.03 -0.12 -0.44 -4.66 117.98 108.81 1xka s PHE 181 Ca 0.35 -0.09 0.02 0.00 -0.05 0.00 0.00 56.93 57.16 1xka s PHE 181 Cb 0.07 0.50 -0.04 0.00 -0.63 0.00 0.00 43.02 42.93 1xka s PHE 181 CO 0.12 -0.97 0.01 0.00 -0.05 0.00 0.00 175.22 174.33 1xka s ALA 183 N -1.17 -1.00 0.00 0.00 0.00 -0.57 -0.79 121.76 118.23 1xka s ALA 183 Ca 0.22 0.92 0.00 0.00 0.00 0.00 0.00 51.96 53.10 1xka s ALA 183 Cb -0.12 -0.40 0.00 0.00 0.00 0.00 0.00 23.12 22.60 1xka s ALA 183 CO 0.13 -0.23 0.00 0.41 0.00 0.00 0.00 175.76 176.08 1xka n GLY 184 N 2.24 0.60 3.82 0.00 0.00 0.19 -0.89 105.19 111.14 1xka n GLY 184 Ca -0.16 -2.12 -0.22 0.00 0.00 0.00 0.00 46.02 43.52 1xka n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xka s TYR 185 N -0.98 2.86 -0.05 1.61 2.02 -1.26 -4.26 117.35 117.29 1xka s TYR 185 Ca 0.00 -0.31 -0.13 0.00 -0.37 0.00 0.00 57.07 56.26 1xka s TYR 185 Cb 0.00 -1.72 -0.07 0.00 -0.40 0.00 0.00 41.96 39.77 1xka s TYR 185 CO 0.00 0.25 0.52 0.22 -1.57 0.00 0.00 175.55 174.98 1xka h ASP 185 N 1.35 -0.38 0.00 2.29 3.58 -1.90 -3.42 116.42 117.94 1xka h ASP 185 Ca -0.45 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.02 1xka h ASP 185 Cb 1.25 0.10 0.00 0.00 1.72 0.00 0.00 39.33 42.40 1xka h ASP 185 CO 0.60 0.05 -0.90 0.35 -2.88 0.00 0.00 179.24 176.46 1xka n THR 185 N -5.05 0.00 -1.67 2.25 -2.24 -1.26 0.44 114.28 106.75 1xka n THR 185 Ca -0.06 -0.00 -0.47 0.00 -2.27 0.00 0.00 64.05 61.25 1xka n THR 185 Cb 0.18 0.46 -0.04 0.00 -2.10 0.00 0.00 70.33 68.82 1xka n THR 185 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1xka n LYS 186 N -1.35 2.10 -0.94 -0.78 4.81 -1.26 -4.72 118.16 116.01 1xka n LYS 186 Ca 0.00 0.76 -0.29 0.00 -0.87 0.00 0.00 58.31 57.91 1xka n LYS 186 Cb 0.00 -2.54 -0.02 0.00 0.02 0.00 0.00 35.03 32.48 1xka n LYS 186 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1xka n GLN 187 N 4.11 2.28 -3.79 1.64 1.13 -1.26 -4.67 117.38 116.82 1xka n GLN 187 Ca 0.18 -1.69 -0.14 0.00 -1.94 0.00 0.00 57.00 53.41 1xka n GLN 187 Cb 0.28 -2.62 -0.15 0.00 0.11 0.00 0.00 30.24 27.86 1xka n GLN 187 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1xka s GLU 188 N 3.46 -0.00 -0.10 -1.09 2.02 -1.26 -4.03 118.70 117.70 1xka s GLU 188 Ca 0.47 0.18 -0.33 0.00 0.02 0.00 0.00 54.97 55.32 1xka s GLU 188 Cb 0.12 -0.18 0.14 0.00 0.10 0.00 0.00 34.13 34.32 1xka s GLU 188 CO -0.02 -0.13 1.44 0.34 0.02 0.00 0.00 175.26 176.91 1xka s ASP 189 N 0.84 -0.00 0.61 -0.19 2.15 -0.31 -4.29 116.67 115.47 1xka s ASP 189 Ca -0.07 -0.00 -0.04 0.00 0.43 0.00 0.00 52.55 52.87 1xka s ASP 189 Cb -0.10 0.00 0.03 0.00 -0.30 0.00 0.00 42.92 42.56 1xka s ASP 189 CO -0.03 -0.01 0.89 0.00 -0.17 0.00 0.00 175.17 175.86 1xka s ALA 190 N -2.01 3.41 0.35 3.66 0.00 -1.26 0.13 121.76 126.05 1xka s ALA 190 Ca 0.18 -0.94 -0.07 0.00 0.00 0.00 0.00 51.96 51.13 1xka s ALA 190 Cb 0.07 -2.45 0.02 0.00 0.00 0.00 0.00 23.12 20.75 1xka s ALA 190 CO -0.06 -0.93 0.57 0.00 0.00 0.00 0.00 175.76 175.34 1xka n GLN 192 N -0.55 1.33 0.00 0.00 6.02 -1.26 -1.11 117.38 121.81 1xka n GLN 192 Ca -0.02 0.47 0.00 0.00 -0.01 0.00 0.00 57.00 57.44 1xka n GLN 192 Cb 0.61 -1.95 0.00 0.00 1.02 0.00 0.00 30.24 29.92 1xka n GLN 192 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1xka n GLY 193 N 1.80 2.79 0.03 1.08 0.00 -1.26 0.14 105.19 109.77 1xka n GLY 193 Ca 0.13 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.26 1xka n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xka n ASP 194 N 0.00 0.55 -4.60 1.61 8.00 -0.27 -3.78 116.55 118.06 1xka n ASP 194 Ca 0.00 -0.24 -0.42 0.00 0.71 0.00 0.00 54.79 54.84 1xka n ASP 194 Cb 0.00 1.06 0.01 0.00 -0.02 0.00 0.00 41.12 42.16 1xka n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1xka n SER 195 N -2.01 1.14 0.00 -2.24 7.64 -1.26 0.19 113.62 117.09 1xka n SER 195 Ca 0.01 1.05 0.00 0.00 1.01 0.00 0.00 58.87 60.94 1xka n SER 195 Cb 0.46 -1.33 0.00 0.00 -1.01 0.00 0.00 64.21 62.33 1xka n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xka n GLY 196 N 1.22 2.78 3.43 0.23 0.00 0.96 0.60 105.19 114.41 1xka n GLY 196 Ca 0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.83 1xka n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xka n GLY 197 N -0.47 -2.27 3.85 -0.02 0.00 0.13 -3.27 105.19 103.14 1xka n GLY 197 Ca 0.00 -1.21 -0.32 0.00 0.00 0.00 0.00 46.02 44.49 1xka n GLY 197 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xka s PRO 198 N -4.33 3.98 -0.13 1.61 0.04 -1.26 -1.66 135.00 133.25 1xka s PRO 198 Ca 0.68 0.69 -0.01 0.00 0.04 0.00 0.00 61.00 62.40 1xka s PRO 198 Cb -0.24 -2.38 0.04 0.00 0.04 0.00 0.00 34.50 31.95 1xka s PRO 198 CO 0.66 0.08 -0.02 -1.58 0.04 0.00 0.00 177.00 176.17 1xka s HIS 199 N -2.11 1.23 0.09 0.56 2.46 -1.00 -2.97 115.29 113.55 1xka s HIS 199 Ca 0.55 -0.71 0.08 0.00 0.47 0.00 0.00 55.06 55.45 1xka s HIS 199 Cb -0.10 -1.10 -0.03 0.00 -0.13 0.00 0.00 32.58 31.22 1xka s HIS 199 CO 0.20 -0.51 -0.21 0.14 -2.47 0.00 0.00 174.74 171.89 1xka s VAL 200 N 1.79 1.72 -0.11 0.89 -7.23 0.14 -1.07 120.40 116.53 1xka s VAL 200 Ca 0.02 -1.49 0.00 0.00 -1.81 0.00 0.00 61.98 58.71 1xka s VAL 200 Cb -0.14 -1.55 -0.02 0.00 0.56 0.00 0.00 36.38 35.22 1xka s VAL 200 CO -0.07 -0.01 -0.11 -0.89 -0.31 0.00 0.00 175.10 173.71 1xka s THR 201 N -1.10 3.27 -0.11 5.32 2.01 0.03 0.65 115.64 125.71 1xka s THR 201 Ca 0.07 -0.61 -0.12 0.00 0.31 0.00 0.00 61.69 61.34 1xka s THR 201 Cb -0.10 -2.36 -0.05 0.00 0.01 0.00 0.00 72.50 70.01 1xka s THR 201 CO 0.04 0.55 0.28 -0.60 -0.69 0.00 0.00 174.62 174.20 1xka s ARG 202 N -0.07 3.96 -0.16 4.92 3.52 -1.26 -1.01 118.95 128.85 1xka s ARG 202 Ca -0.01 0.12 -0.03 0.00 -0.13 0.00 0.00 55.73 55.67 1xka s ARG 202 Cb -0.14 -3.31 0.05 0.00 -1.56 0.00 0.00 34.95 30.00 1xka s ARG 202 CO 0.03 0.50 0.05 0.12 -0.81 0.00 0.00 175.30 175.20 1xka s PHE 203 N -0.33 0.61 -1.31 5.12 5.36 -0.51 -4.85 117.98 122.06 1xka s PHE 203 Ca 0.18 -0.50 -0.02 0.00 -0.96 0.00 0.00 56.93 55.63 1xka s PHE 203 Cb -0.14 -0.84 0.01 0.00 -0.34 0.00 0.00 43.02 41.71 1xka s PHE 203 CO 0.06 -0.51 0.84 1.63 -1.46 0.00 0.00 175.22 175.78 1xka n LYS 204 N 5.16 -5.64 -1.71 10.12 5.02 -1.26 -2.06 118.16 127.80 1xka n LYS 204 Ca -0.08 0.69 -0.18 0.00 -2.02 0.00 0.00 58.31 56.72 1xka n LYS 204 Cb 0.48 -5.44 -0.06 0.00 -0.02 0.00 0.00 35.03 29.99 1xka n LYS 204 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1xka n ASP 205 N -3.05 -5.23 -4.02 4.39 8.00 -1.26 -4.98 116.55 110.40 1xka n ASP 205 Ca -0.24 0.35 -0.30 0.00 0.71 0.00 0.00 54.79 55.31 1xka n ASP 205 Cb 0.65 -4.33 -0.16 0.00 -0.02 0.00 0.00 41.12 37.25 1xka n ASP 205 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1xka s THR 206 N -2.73 1.57 -0.14 -3.53 2.01 -0.87 -5.11 115.64 106.83 1xka s THR 206 Ca 0.00 -0.64 -0.18 0.00 0.31 0.00 0.00 61.69 61.18 1xka s THR 206 Cb 0.00 -1.48 -0.04 0.00 0.01 0.00 0.00 72.50 70.99 1xka s THR 206 CO 0.00 0.45 0.49 -0.31 -0.69 0.00 0.00 174.62 174.56 1xka s TYR 207 N 1.49 3.47 -0.05 4.92 1.51 -1.26 -1.43 117.35 126.00 1xka s TYR 207 Ca 0.05 0.86 0.03 0.00 -1.01 0.00 0.00 57.07 57.00 1xka s TYR 207 Cb -0.13 -2.59 -0.03 0.00 -0.11 0.00 0.00 41.96 39.11 1xka s TYR 207 CO -0.11 0.09 -0.11 -0.06 -1.11 0.00 0.00 175.55 174.25 1xka s PHE 208 N 0.92 2.79 0.10 2.71 0.40 -0.18 -2.25 117.98 122.47 1xka s PHE 208 Ca 0.26 -0.09 -0.31 0.00 -0.60 0.00 0.00 56.93 56.18 1xka s PHE 208 Cb -0.15 -1.65 -0.08 0.00 0.51 0.00 0.00 43.02 41.65 1xka s PHE 208 CO 0.10 0.25 1.39 0.08 0.70 0.00 0.00 175.22 177.74 1xka s VAL 209 N -0.79 3.37 0.00 -0.44 1.01 0.19 -0.79 120.40 122.95 1xka s VAL 209 Ca 0.12 0.96 0.00 0.00 0.00 0.00 0.00 61.98 63.07 1xka s VAL 209 Cb -0.11 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.65 1xka s VAL 209 CO 0.01 0.07 0.00 0.35 0.00 0.00 0.00 175.10 175.53 1xka n THR 210 N 4.03 0.00 -3.84 3.92 -2.24 -0.24 -4.58 114.28 111.33 1xka n THR 210 Ca 0.12 -0.15 -0.07 0.00 -2.27 0.00 0.00 64.05 61.68 1xka n THR 210 Cb 0.43 0.63 -0.01 0.00 -2.10 0.00 0.00 70.33 69.28 1xka n THR 210 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1xka s GLY 211 N -0.97 -0.01 -0.09 3.38 0.00 -0.78 -2.83 107.32 106.01 1xka s GLY 211 Ca 0.00 -0.35 0.01 0.00 0.00 0.00 0.00 44.72 44.38 1xka s GLY 211 CO 0.00 -0.07 -0.11 -0.42 0.00 0.00 0.00 173.10 172.50 1xka s ILE 212 N -3.52 1.14 -0.26 0.90 1.01 -0.91 -2.39 121.20 117.17 1xka s ILE 212 Ca 0.12 -0.43 -0.30 0.00 0.00 0.00 0.00 60.65 60.05 1xka s ILE 212 Cb -0.05 -1.09 -0.07 0.00 0.01 0.00 0.00 42.46 41.26 1xka s ILE 212 CO 0.07 0.37 2.23 0.52 0.00 0.00 0.00 174.94 178.13 1xka n VAL 213 N 4.32 0.29 -0.05 2.92 0.31 -0.66 -0.65 118.33 124.80 1xka n VAL 213 Ca -0.18 -0.42 -0.05 0.00 -0.01 0.00 0.00 64.34 63.67 1xka n VAL 213 Cb 0.51 -2.34 -0.02 0.00 -0.91 0.00 0.00 33.84 31.08 1xka n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1xka n SER 214 N 11.39 1.11 -1.16 4.52 2.88 -0.65 -0.03 113.62 131.68 1xka n SER 214 Ca 0.33 0.19 -0.00 0.00 -1.33 0.00 0.00 58.87 58.05 1xka n SER 214 Cb 0.39 -0.62 0.00 0.00 -0.75 0.00 0.00 64.21 63.24 1xka n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 1xka n TRP 215 N -3.62 -0.85 0.00 0.66 4.27 -0.76 -4.87 117.44 112.28 1xka n TRP 215 Ca -0.08 -0.12 0.00 0.00 -3.89 0.00 0.00 57.50 53.41 1xka n TRP 215 Cb 0.29 0.06 0.00 0.00 -1.36 0.00 0.00 31.31 30.30 1xka n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1xka n GLY 216 N -0.05 1.90 3.55 -1.67 0.00 -1.26 -0.12 105.19 107.54 1xka n GLY 216 Ca -0.00 -0.27 -0.38 0.00 0.00 0.00 0.00 46.02 45.37 1xka n GLY 216 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xka s GLU 217 N -1.71 2.78 1.77 1.61 2.02 -1.26 -4.77 118.70 119.13 1xka s GLU 217 Ca 0.00 0.27 0.00 0.00 0.02 0.00 0.00 54.97 55.26 1xka s GLU 217 Cb 0.00 -4.44 0.00 0.00 0.10 0.00 0.00 34.13 29.79 1xka s GLU 217 CO 0.00 -2.65 0.00 0.41 0.02 0.00 0.00 175.26 173.04 1xka n GLY 218 N 5.78 -1.22 2.93 -1.39 0.00 -1.26 -4.64 105.19 105.40 1xka n GLY 218 Ca 0.19 -1.20 -0.27 0.00 0.00 0.00 0.00 46.02 44.74 1xka n GLY 218 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xka n ALA 221 N 4.79 -1.57 -2.00 0.00 0.00 -1.26 -4.46 120.51 116.01 1xka n ALA 221 Ca -0.14 0.17 -0.37 0.00 0.00 0.00 0.00 53.44 53.09 1xka n ALA 221 Cb 0.50 -4.06 -0.06 0.00 0.00 0.00 0.00 19.45 15.83 1xka n ALA 221 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1xka s ARG 222 N -6.13 4.40 0.18 0.00 0.52 -1.26 -4.67 118.95 111.99 1xka s ARG 222 Ca 0.39 1.04 -0.32 0.00 -0.52 0.00 0.00 55.73 56.32 1xka s ARG 222 Cb -0.18 -2.95 -0.11 0.00 0.52 0.00 0.00 34.95 32.23 1xka s ARG 222 CO 0.77 0.41 1.75 0.15 0.02 0.00 0.00 175.30 178.39 1xka s LYS 223 N -1.80 4.14 0.00 3.54 1.02 -1.26 -0.78 119.74 124.59 1xka s LYS 223 Ca 0.43 2.58 0.00 0.00 0.02 0.00 0.00 55.97 59.00 1xka s LYS 223 Cb -0.19 -3.26 0.00 0.00 -0.52 0.00 0.00 37.83 33.87 1xka s LYS 223 CO 0.23 -0.77 0.00 0.41 -0.92 0.00 0.00 175.35 174.30 1xka n GLY 223 N 4.05 0.64 3.44 -3.33 0.00 0.17 -4.97 105.19 105.19 1xka n GLY 223 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 1xka n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xka s LYS 224 N -0.24 1.70 0.43 1.61 -0.14 0.04 -4.75 119.74 118.39 1xka s LYS 224 Ca 0.00 -1.20 0.03 0.00 -1.36 0.00 0.00 55.97 53.44 1xka s LYS 224 Cb 0.00 -2.05 -0.04 0.00 -1.68 0.00 0.00 37.83 34.07 1xka s LYS 224 CO 0.00 0.48 0.05 0.71 -0.76 0.00 0.00 175.35 175.83 1xka s TYR 225 N -1.06 1.98 -0.06 3.18 2.02 -1.26 -4.43 117.35 117.72 1xka s TYR 225 Ca 0.16 -0.99 -0.17 0.00 -0.37 0.00 0.00 57.07 55.70 1xka s TYR 225 Cb -0.10 -1.47 -0.05 0.00 -0.40 0.00 0.00 41.96 39.94 1xka s TYR 225 CO 0.08 0.09 0.44 0.20 -1.57 0.00 0.00 175.55 174.79 1xka s GLY 226 N -3.71 2.44 -0.23 0.71 0.00 -0.07 -4.51 107.32 101.95 1xka s GLY 226 Ca 0.21 -0.20 -0.10 0.00 0.00 0.00 0.00 44.72 44.63 1xka s GLY 226 CO 0.11 0.48 0.13 -0.42 0.00 0.00 0.00 173.10 173.40 1xka s ILE 227 N -0.19 5.16 0.10 0.90 -1.09 0.82 -1.51 121.20 125.40 1xka s ILE 227 Ca 0.25 0.11 0.10 0.00 -2.23 0.00 0.00 60.65 58.88 1xka s ILE 227 Cb -0.16 -3.39 -0.04 0.00 -1.58 0.00 0.00 42.46 37.29 1xka s ILE 227 CO 0.12 0.37 -0.27 -0.31 -1.23 0.00 0.00 174.94 173.62 1xka s TYR 228 N 0.93 2.31 0.08 3.97 1.51 -0.59 -1.64 117.35 123.92 1xka s TYR 228 Ca 0.07 -0.39 -0.30 0.00 -1.01 0.00 0.00 57.07 55.43 1xka s TYR 228 Cb -0.13 -1.29 -0.06 0.00 -0.11 0.00 0.00 41.96 40.37 1xka s TYR 228 CO 0.03 0.26 1.15 0.99 -1.11 0.00 0.00 175.55 176.88 1xka s THR 229 N -0.97 4.08 -0.74 -0.71 2.01 0.18 -1.33 115.64 118.16 1xka s THR 229 Ca 0.13 1.56 -0.26 0.00 0.31 0.00 0.00 61.69 63.43 1xka s THR 229 Cb -0.10 -4.00 0.04 0.00 0.01 0.00 0.00 72.50 68.45 1xka s THR 229 CO 0.05 0.16 1.24 -0.75 -0.69 0.00 0.00 174.62 174.62 1xka s LYS 230 N 0.72 3.19 0.37 4.92 2.20 0.77 -2.15 119.74 129.76 1xka s LYS 230 Ca 0.56 -0.37 0.09 0.00 -0.36 0.00 0.00 55.97 55.89 1xka s LYS 230 Cb -0.29 -4.23 0.83 0.00 -1.51 0.00 0.00 37.83 32.63 1xka s LYS 230 CO 0.30 -2.10 1.91 0.28 -0.36 0.00 0.00 175.35 175.38 1xka h VAL 231 N 6.04 0.90 -0.07 4.02 2.07 -1.84 -1.54 116.25 125.84 1xka h VAL 231 Ca -0.26 -0.23 0.02 0.00 0.82 0.00 0.00 66.70 67.05 1xka h VAL 231 Cb 1.05 0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1xka h VAL 231 CO 1.27 0.12 0.15 0.71 0.02 0.00 0.00 177.57 179.84 1xka h THR 232 N 0.67 0.22 0.00 2.57 1.35 -1.90 0.55 112.91 116.37 1xka h THR 232 Ca 0.39 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.25 1xka h THR 232 Cb 0.58 0.87 0.00 0.00 -1.73 0.00 0.00 68.15 67.86 1xka h THR 232 CO -0.15 0.00 -0.14 0.00 -0.25 0.00 0.00 175.52 174.97 1xka n ALA 233 N -2.15 2.63 -1.44 6.62 0.00 -0.58 -3.83 120.51 121.76 1xka n ALA 233 Ca -0.01 -0.16 0.06 0.00 0.00 0.00 0.00 53.44 53.33 1xka n ALA 233 Cb 0.23 -1.38 0.09 0.00 0.00 0.00 0.00 19.45 18.39 1xka n ALA 233 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1xka n PHE 234 N -1.60 0.00 -0.28 0.00 3.72 0.19 -4.83 117.46 114.65 1xka n PHE 234 Ca 0.06 -0.62 -0.06 0.00 -0.05 0.00 0.00 57.45 56.78 1xka n PHE 234 Cb 0.35 -0.11 0.07 0.00 -0.94 0.00 0.00 39.48 38.85 1xka n PHE 234 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1xka h LEU 235 N 0.02 1.09 -0.22 4.37 3.38 -1.48 0.17 115.31 122.64 1xka h LEU 235 Ca -0.00 -0.17 -0.20 0.00 0.09 0.00 0.00 57.88 57.59 1xka h LEU 235 Cb 1.16 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 41.63 1xka h LEU 235 CO 0.00 0.97 -0.64 0.50 0.09 0.00 0.00 178.44 179.36 1xka h LYS 236 N 1.15 0.83 -0.82 1.13 3.11 -1.88 -1.90 116.57 118.18 1xka h LYS 236 Ca 0.26 -0.59 0.02 0.00 -2.81 0.00 0.00 60.65 57.53 1xka h LYS 236 Cb 0.23 0.10 -0.05 0.00 -1.00 0.00 0.00 32.23 31.51 1xka h LYS 236 CO -0.02 1.21 0.54 2.35 -2.81 0.00 0.00 179.45 180.72 1xka h TRP 237 N 0.59 1.01 -0.37 1.91 7.01 -1.83 -1.12 115.95 123.16 1xka h TRP 237 Ca -0.02 0.03 -0.09 0.00 2.11 0.00 0.00 58.89 60.92 1xka h TRP 237 Cb 1.26 -0.34 -0.02 0.00 -2.10 0.00 0.00 29.16 27.97 1xka h TRP 237 CO 0.08 0.60 -0.14 0.82 -2.79 0.00 0.00 178.44 177.01 1xka h ILE 238 N 1.07 1.25 0.14 2.65 2.04 -0.58 -0.80 117.51 123.28 1xka h ILE 238 Ca 0.32 -1.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.02 1xka h ILE 238 Cb -0.05 1.13 0.00 0.00 -0.74 0.00 0.00 36.82 37.16 1xka h ILE 238 CO -0.09 0.39 -0.07 -0.78 0.00 0.00 0.00 178.15 177.59 1xka h ASP 239 N 0.60 -0.17 -0.27 1.72 3.58 -0.43 -1.35 116.42 120.10 1xka h ASP 239 Ca 0.10 0.01 -0.10 0.00 0.42 0.00 0.00 57.03 57.45 1xka h ASP 239 Cb 0.58 0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.66 1xka h ASP 239 CO 0.04 -0.12 -0.19 0.03 -2.88 0.00 0.00 179.24 176.12 1xka h ARG 240 N -0.19 0.72 -0.38 0.28 3.08 -1.14 -3.03 114.38 113.72 1xka h ARG 240 Ca -0.02 -0.27 -0.05 0.00 0.07 0.00 0.00 59.98 59.71 1xka h ARG 240 Cb 0.15 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 1xka h ARG 240 CO 0.03 0.86 0.03 0.77 -1.07 0.00 0.00 179.97 180.60 1xka h SER 241 N 0.64 0.54 0.00 7.04 0.02 -0.90 -2.48 113.55 118.41 1xka h SER 241 Ca 0.10 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1xka h SER 241 Cb 0.67 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.07 1xka h SER 241 CO 0.05 0.58 0.00 0.23 -1.14 0.00 0.00 176.83 176.55 1xka n MET 242 N -4.29 0.83 0.00 3.45 2.81 -0.53 -2.03 117.12 117.36 1xka n MET 242 Ca 0.02 0.00 0.05 0.00 -1.81 0.00 0.00 57.70 55.96 1xka n MET 242 Cb 0.23 -1.08 0.04 0.00 -0.71 0.00 0.00 33.22 31.71 1xka n MET 242 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1xka n LYS 243 N -0.58 0.58 -2.70 0.03 4.76 -0.93 -5.00 118.16 114.31 1xka n LYS 243 Ca 0.03 -1.13 -0.43 0.00 -2.87 0.00 0.00 58.31 53.92 1xka n LYS 243 Cb 0.01 -1.21 -0.03 0.00 -1.84 0.00 0.00 35.03 31.97 1xka n LYS 243 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1xka s THR 244 N -0.93 4.76 0.00 -0.18 2.01 -0.86 -5.14 115.64 115.30 1xka s THR 244 Ca 0.13 2.00 0.00 0.00 0.31 0.00 0.00 61.69 64.12 1xka s THR 244 Cb 0.09 -4.30 0.00 0.00 0.01 0.00 0.00 72.50 68.31 1xka s THR 244 CO 0.14 -0.05 0.00 0.54 -0.69 0.00 0.00 174.62 174.56