#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i9b n ASP 12 N 0.00 -5.68 -4.10 0.00 8.00 -1.26 -5.03 116.55 108.48 2i9b n ASP 12 Ca 0.00 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 55.17 2i9b n ASP 12 Cb 0.00 -3.74 -0.15 0.00 -0.02 0.00 0.00 41.12 37.21 2i9b n ASP 12 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2i9b s LEU 14 N 1.17 2.75 -1.52 0.00 1.43 -0.02 -3.87 118.68 118.62 2i9b s LEU 14 Ca -0.05 0.19 -0.03 0.00 -1.03 0.00 0.00 54.13 53.21 2i9b s LEU 14 Cb -0.18 -2.20 0.03 0.00 0.03 0.00 0.00 46.19 43.86 2i9b s LEU 14 CO -0.06 -2.77 0.26 0.59 0.23 0.00 0.00 176.35 174.60 2i9b n ASN 15 N -3.76 -0.02 -0.45 2.29 4.13 -1.26 -0.62 115.26 115.57 2i9b n ASN 15 Ca 0.16 -1.15 -0.06 0.00 1.68 0.00 0.00 54.58 55.21 2i9b n ASN 15 Cb 0.59 -2.26 -0.03 0.00 -1.54 0.00 0.00 39.78 36.55 2i9b n ASN 15 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2i9b n GLY 16 N -2.17 0.79 3.79 7.41 0.00 -1.26 -4.64 105.19 109.11 2i9b n GLY 16 Ca -0.27 -0.37 -0.31 0.00 0.00 0.00 0.00 46.02 45.07 2i9b n GLY 16 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2i9b s GLY 17 N -2.56 1.66 0.04 -0.02 0.00 0.20 -4.66 107.32 101.99 2i9b s GLY 17 Ca 0.00 0.10 0.06 0.00 0.00 0.00 0.00 44.72 44.88 2i9b s GLY 17 CO 0.00 0.45 -0.18 -0.51 0.00 0.00 0.00 173.10 172.86 2i9b s THR 18 N -3.00 1.48 -0.14 0.90 -4.23 0.14 -4.76 115.64 106.02 2i9b s THR 18 Ca 0.60 -1.10 -0.23 0.00 -1.18 0.00 0.00 61.69 59.78 2i9b s THR 18 Cb -0.16 -1.29 -0.03 0.00 1.34 0.00 0.00 72.50 72.37 2i9b s THR 18 CO 0.55 0.16 0.69 0.00 -0.54 0.00 0.00 174.62 175.49 2i9b s VAL 20 N 1.51 2.68 0.32 0.00 1.01 -1.08 -4.98 120.40 119.87 2i9b s VAL 20 Ca 0.34 -1.92 -0.03 0.00 0.00 0.00 0.00 61.98 60.37 2i9b s VAL 20 Cb -0.17 -2.31 -0.00 0.00 0.00 0.00 0.00 36.38 33.90 2i9b s VAL 20 CO 0.13 -0.13 0.43 -0.94 0.00 0.00 0.00 175.10 174.59 2i9b s SER 21 N -2.79 0.79 -0.10 3.32 1.04 -1.26 -1.46 113.70 113.24 2i9b s SER 21 Ca 0.23 -1.43 -0.04 0.00 0.48 0.00 0.00 55.95 55.18 2i9b s SER 21 Cb -0.08 0.62 0.05 0.00 0.10 0.00 0.00 66.02 66.71 2i9b s SER 21 CO 0.12 -1.22 0.22 0.21 0.98 0.00 0.00 173.24 173.55 2i9b s ASN 22 N -3.22 0.29 0.41 7.02 3.84 -1.25 -5.05 114.94 116.98 2i9b s ASN 22 Ca 0.31 0.47 0.12 0.00 0.21 0.00 0.00 52.86 53.98 2i9b s ASN 22 Cb 0.00 0.46 0.96 0.00 -0.55 0.00 0.00 41.25 42.12 2i9b s ASN 22 CO 0.19 -0.22 1.93 0.07 -2.79 0.00 0.00 177.10 176.29 2i9b h LYS 23 N 7.98 0.50 0.00 0.43 2.10 -1.95 -1.13 116.57 124.49 2i9b h LYS 23 Ca -0.22 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.40 2i9b h LYS 23 Cb 1.13 -0.11 0.00 0.00 -0.90 0.00 0.00 32.23 32.34 2i9b h LYS 23 CO 0.22 0.33 0.00 0.66 -2.00 0.00 0.00 179.45 178.66 2i9b n TYR 24 N -4.49 0.00 -3.24 0.07 4.01 -1.26 -4.12 117.16 108.13 2i9b n TYR 24 Ca 0.13 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.63 2i9b n TYR 24 Cb 0.43 -0.11 -0.07 0.00 -0.31 0.00 0.00 39.34 39.28 2i9b n TYR 24 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 2i9b n PHE 25 N -1.11 1.43 0.00 -0.72 3.01 -0.43 -5.11 117.46 114.54 2i9b n PHE 25 Ca 0.18 -3.83 0.00 0.00 1.01 0.00 0.00 57.45 54.81 2i9b n PHE 25 Cb 0.14 -0.44 0.00 0.00 -0.01 0.00 0.00 39.48 39.17 2i9b n PHE 25 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 2i9b n SER 26 N 0.92 0.00 0.01 4.37 7.64 -1.26 -3.27 113.62 122.03 2i9b n SER 26 Ca 0.25 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 60.05 2i9b n SER 26 Cb 0.49 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.77 2i9b n SER 26 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 2i9b h ASN 27 N 0.00 0.58 -0.60 6.43 2.35 -1.95 -3.44 115.58 118.95 2i9b h ASN 27 Ca 0.00 -0.30 -0.66 0.00 -0.55 0.00 0.00 56.30 54.79 2i9b h ASN 27 Cb 0.00 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.20 2i9b h ASN 27 CO 0.00 1.00 0.63 2.30 -1.65 0.00 0.00 177.43 179.71 2i9b n ILE 28 N -3.96 0.00 -4.34 2.81 -6.64 -1.20 -4.89 119.36 101.13 2i9b n ILE 28 Ca -0.03 0.00 -0.22 0.00 -1.77 0.00 0.00 62.75 60.74 2i9b n ILE 28 Cb 0.59 -0.38 -0.13 0.00 -1.44 0.00 0.00 39.64 38.28 2i9b n ILE 28 CO 0.00 0.00 0.00 -1.38 -1.77 0.00 0.00 176.55 173.40 2i9b s HIS 29 N 2.79 1.47 0.00 4.28 -3.43 -1.26 -3.87 115.29 115.27 2i9b s HIS 29 Ca 0.83 -0.40 0.00 0.00 -0.80 0.00 0.00 55.06 54.69 2i9b s HIS 29 Cb -1.15 -0.84 0.00 0.00 -1.43 0.00 0.00 32.58 29.16 2i9b s HIS 29 CO 0.60 0.09 0.00 -2.67 -2.00 0.00 0.00 174.74 170.77 2i9b n TRP 30 N 1.51 0.00 -4.40 0.38 2.14 -0.53 -4.99 117.44 111.56 2i9b n TRP 30 Ca -0.19 0.00 -0.20 0.00 2.07 0.00 0.00 57.50 59.18 2i9b n TRP 30 Cb 0.54 0.00 -0.14 0.00 -0.81 0.00 0.00 31.31 30.90 2i9b n TRP 30 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 2i9b s ASN 32 N -0.86 5.79 -0.02 0.00 -0.87 0.97 -4.93 114.94 115.02 2i9b s ASN 32 Ca 0.02 -0.27 -0.00 0.00 -1.57 0.00 0.00 52.86 51.04 2i9b s ASN 32 Cb -0.07 -2.07 -0.04 0.00 -0.02 0.00 0.00 41.25 39.06 2i9b s ASN 32 CO 0.01 -0.13 0.03 0.00 -2.57 0.00 0.00 177.10 174.44 2i9b n PRO 34 N 1.46 0.10 -0.28 0.00 -0.02 -1.26 -4.85 135.00 130.14 2i9b n PRO 34 Ca -0.15 0.09 -0.03 0.00 -2.02 0.00 0.00 63.50 61.39 2i9b n PRO 34 Cb 0.53 -2.07 -0.01 0.00 -0.02 0.00 0.00 33.50 31.94 2i9b n PRO 34 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2i9b n LYS 35 N -1.96 -0.22 -1.20 -0.52 4.81 -1.26 -2.12 118.16 115.71 2i9b n LYS 35 Ca 0.10 1.08 -0.28 0.00 -0.87 0.00 0.00 58.31 58.35 2i9b n LYS 35 Cb 0.51 -1.60 0.11 0.00 0.02 0.00 0.00 35.03 34.06 2i9b n LYS 35 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2i9b n LYS 36 N -4.99 2.37 -3.98 1.64 5.02 -1.26 -4.88 118.16 112.08 2i9b n LYS 36 Ca 0.05 -2.87 -0.17 0.00 -2.02 0.00 0.00 58.31 53.30 2i9b n LYS 36 Cb 0.25 -2.13 -0.16 0.00 -0.02 0.00 0.00 35.03 32.97 2i9b n LYS 36 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2i9b s PHE 37 N -3.27 0.38 0.00 2.13 0.40 -0.90 -2.86 117.98 113.86 2i9b s PHE 37 Ca 0.56 -0.04 0.00 0.00 -0.60 0.00 0.00 56.93 56.85 2i9b s PHE 37 Cb 0.45 -0.43 0.00 0.00 0.51 0.00 0.00 43.02 43.55 2i9b s PHE 37 CO 0.03 -0.13 0.00 0.41 0.70 0.00 0.00 175.22 176.24 2i9b n GLY 38 N 4.00 4.53 0.00 4.36 0.00 -0.39 -4.55 105.19 113.13 2i9b n GLY 38 Ca -0.26 -2.17 0.00 0.00 0.00 0.00 0.00 46.02 43.60 2i9b n GLY 38 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2i9b n GLY 39 N 5.00 -0.78 0.36 -0.02 0.00 -1.26 -2.40 105.19 106.08 2i9b n GLY 39 Ca 0.00 -1.63 0.09 0.00 0.00 0.00 0.00 46.02 44.48 2i9b n GLY 39 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2i9b h GLN 40 N 0.00 0.64 -0.28 1.61 4.20 -1.98 -2.36 115.11 116.94 2i9b h GLN 40 Ca 0.00 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.67 2i9b h GLN 40 Cb 0.00 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.64 2i9b h GLN 40 CO 0.00 0.42 0.00 0.72 -0.67 0.00 0.00 178.83 179.30 2i9b n HIS 41 N -4.49 0.37 -1.04 2.96 8.25 -1.26 -4.02 115.22 115.98 2i9b n HIS 41 Ca 0.12 -0.47 -0.02 0.00 -0.26 0.00 0.00 57.72 57.09 2i9b n HIS 41 Cb 0.32 -0.03 -0.01 0.00 1.12 0.00 0.00 29.99 31.39 2i9b n HIS 41 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2i9b h GLU 43 N 0.53 0.05 -6.26 0.00 3.07 -1.77 -3.39 114.58 106.79 2i9b h GLU 43 Ca -0.03 -0.01 -0.57 0.00 -0.50 0.00 0.00 59.36 58.25 2i9b h GLU 43 Cb 0.34 -0.01 -0.05 0.00 -0.84 0.00 0.00 28.75 28.19 2i9b h GLU 43 CO 0.05 0.16 0.91 0.42 -1.40 0.00 0.00 179.01 179.14 2i9b s ILE 44 N -4.81 4.30 -0.81 3.13 1.01 -1.01 -4.86 121.20 118.14 2i9b s ILE 44 Ca -0.05 1.51 -0.23 0.00 0.00 0.00 0.00 60.65 61.88 2i9b s ILE 44 Cb 0.16 -4.18 0.07 0.00 0.01 0.00 0.00 42.46 38.52 2i9b s ILE 44 CO 0.69 -0.36 1.19 -0.62 0.00 0.00 0.00 174.94 175.85 2i9b s ASP 45 N 2.21 6.32 0.00 3.58 -1.08 -0.22 -1.27 116.67 126.22 2i9b s ASP 45 Ca 0.53 -1.13 0.15 0.00 -0.52 0.00 0.00 52.55 51.58 2i9b s ASP 45 Cb -0.17 -2.49 0.84 0.00 -1.46 0.00 0.00 42.92 39.64 2i9b s ASP 45 CO 0.18 -1.50 1.35 1.17 0.52 0.00 0.00 175.17 176.88 2i9b n LYS 46 N 8.24 0.38 -0.00 4.34 4.81 -1.14 -3.60 118.16 131.19 2i9b n LYS 46 Ca 0.11 0.05 -0.00 0.00 -0.87 0.00 0.00 58.31 57.61 2i9b n LYS 46 Cb 0.48 -1.50 -0.01 0.00 0.02 0.00 0.00 35.03 34.03 2i9b n LYS 46 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 2i9b n SER 47 N -1.10 4.78 -4.54 3.14 3.41 -1.26 -4.96 113.62 113.08 2i9b n SER 47 Ca 0.10 0.00 -0.45 0.00 -0.26 0.00 0.00 58.87 58.26 2i9b n SER 47 Cb 0.08 0.74 -0.02 0.00 -0.26 0.00 0.00 64.21 64.74 2i9b n SER 47 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2i9b n LYS 48 N -1.83 1.04 -0.18 4.33 4.76 -1.24 -4.92 118.16 120.13 2i9b n LYS 48 Ca -0.01 0.37 0.02 0.00 -2.87 0.00 0.00 58.31 55.82 2i9b n LYS 48 Cb 0.32 -1.66 0.03 0.00 -1.84 0.00 0.00 35.03 31.89 2i9b n LYS 48 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 2i9b n THR 49 N 0.10 0.64 -3.59 -0.18 -2.24 -1.26 -4.61 114.28 103.14 2i9b n THR 49 Ca 0.11 -0.74 -0.04 0.00 -2.27 0.00 0.00 64.05 61.11 2i9b n THR 49 Cb 0.31 0.44 -0.02 0.00 -2.10 0.00 0.00 70.33 68.97 2i9b n THR 49 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2i9b s TYR 51 N -2.51 3.06 -0.12 0.00 -0.85 -1.05 -4.77 117.35 111.11 2i9b s TYR 51 Ca 0.09 0.04 -0.11 0.00 -0.52 0.00 0.00 57.07 56.56 2i9b s TYR 51 Cb -0.01 -1.61 -0.05 0.00 0.38 0.00 0.00 41.96 40.68 2i9b s TYR 51 CO -0.05 0.48 0.25 -1.21 -1.52 0.00 0.00 175.55 173.50 2i9b s GLU 52 N -2.02 3.92 7.31 -3.49 0.41 -1.26 -2.41 118.70 121.15 2i9b s GLU 52 Ca 0.24 0.05 0.00 0.00 -0.41 0.00 0.00 54.97 54.85 2i9b s GLU 52 Cb -0.12 -3.31 0.00 0.00 -1.78 0.00 0.00 34.13 28.92 2i9b s GLU 52 CO 0.16 0.51 0.00 0.41 -0.49 0.00 0.00 175.26 175.85 2i9b n GLY 53 N 2.64 2.18 0.49 -1.39 0.00 -1.26 -2.65 105.19 105.20 2i9b n GLY 53 Ca -0.15 -0.34 0.05 0.00 0.00 0.00 0.00 46.02 45.58 2i9b n GLY 53 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2i9b n ASN 54 N 9.42 2.27 0.00 1.61 2.04 -1.26 -4.93 115.26 124.41 2i9b n ASN 54 Ca 0.00 -1.66 0.00 0.00 -0.44 0.00 0.00 54.58 52.48 2i9b n ASN 54 Cb 0.00 -0.09 0.00 0.00 -2.53 0.00 0.00 39.78 37.16 2i9b n ASN 54 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2i9b n GLY 55 N 0.53 0.79 0.40 4.83 0.00 -1.08 -3.63 105.19 107.02 2i9b n GLY 55 Ca 0.08 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.29 2i9b n GLY 55 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2i9b h HIS 56 N 0.00 0.62 -0.48 1.61 6.17 -1.81 0.12 115.15 121.38 2i9b h HIS 56 Ca 0.00 0.02 -0.18 0.00 0.71 0.00 0.00 60.37 60.92 2i9b h HIS 56 Cb 0.00 -0.19 -0.11 0.00 2.52 0.00 0.00 27.41 29.63 2i9b h HIS 56 CO 0.00 0.15 0.10 1.19 0.71 0.00 0.00 177.93 180.08 2i9b n PHE 57 N -4.55 1.55 -2.98 5.26 3.72 -1.26 -4.73 117.46 114.47 2i9b n PHE 57 Ca 0.20 -1.36 -0.40 0.00 -0.05 0.00 0.00 57.45 55.84 2i9b n PHE 57 Cb 0.70 -0.54 -0.05 0.00 -0.94 0.00 0.00 39.48 38.66 2i9b n PHE 57 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 176.76 176.24 2i9b s TYR 58 N -3.10 3.65 -0.10 1.38 5.04 0.40 -4.97 117.35 119.66 2i9b s TYR 58 Ca 0.47 1.40 0.19 0.00 -2.44 0.00 0.00 57.07 56.69 2i9b s TYR 58 Cb 0.40 -2.85 0.43 0.00 0.35 0.00 0.00 41.96 40.29 2i9b s TYR 58 CO 0.06 0.15 1.19 0.54 -1.34 0.00 0.00 175.55 176.15 2i9b n ARG 59 N 3.42 0.75 -0.61 4.97 5.12 -1.26 -4.85 116.66 124.21 2i9b n ARG 59 Ca -0.01 -2.62 -0.12 0.00 -1.93 0.00 0.00 57.85 53.18 2i9b n ARG 59 Cb 0.51 -0.77 0.09 0.00 -1.16 0.00 0.00 32.46 31.13 2i9b n ARG 59 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2i9b n GLY 60 N -0.26 -1.80 1.49 -0.13 0.00 -1.26 -1.05 105.19 102.17 2i9b n GLY 60 Ca 0.12 -1.60 -0.01 0.00 0.00 0.00 0.00 46.02 44.53 2i9b n GLY 60 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2i9b n LYS 61 N -2.39 3.06 -2.34 1.61 5.02 -1.26 -4.69 118.16 117.16 2i9b n LYS 61 Ca 0.06 -3.04 -0.39 0.00 -2.02 0.00 0.00 58.31 52.92 2i9b n LYS 61 Cb 0.23 -2.02 -0.03 0.00 -0.02 0.00 0.00 35.03 33.19 2i9b n LYS 61 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2i9b s ALA 62 N -3.01 3.29 0.00 7.82 0.00 -1.26 -4.90 121.76 123.70 2i9b s ALA 62 Ca 0.49 0.97 0.02 0.00 0.00 0.00 0.00 51.96 53.44 2i9b s ALA 62 Cb 0.40 -3.37 0.03 0.00 0.00 0.00 0.00 23.12 20.19 2i9b s ALA 62 CO 0.09 -0.40 0.81 -1.13 0.00 0.00 0.00 175.76 175.13 2i9b n SER 63 N 0.54 0.01 -4.12 0.00 3.41 -1.26 -0.21 113.62 111.98 2i9b n SER 63 Ca 0.02 -1.60 -0.24 0.00 -0.26 0.00 0.00 58.87 56.80 2i9b n SER 63 Cb 0.45 -0.09 -0.15 0.00 -0.26 0.00 0.00 64.21 64.16 2i9b n SER 63 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2i9b s THR 64 N 0.00 1.23 0.02 6.66 -1.32 -1.26 -0.95 115.64 120.01 2i9b s THR 64 Ca 0.03 -0.65 -0.00 0.00 -1.21 0.00 0.00 61.69 59.85 2i9b s THR 64 Cb 0.03 -1.03 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 2i9b s THR 64 CO -0.01 0.35 0.02 -0.90 -2.21 0.00 0.00 174.62 171.87 2i9b n ASP 65 N 2.80 0.01 0.02 8.08 3.85 -0.37 -2.96 116.55 127.99 2i9b n ASP 65 Ca -0.15 -1.01 0.01 0.00 -0.71 0.00 0.00 54.79 52.92 2i9b n ASP 65 Cb 0.54 -0.02 0.33 0.00 -1.35 0.00 0.00 41.12 40.63 2i9b n ASP 65 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.20 176.90 2i9b h THR 66 N -0.86 1.18 -0.00 2.12 1.35 -1.68 -2.35 112.91 112.67 2i9b h THR 66 Ca -0.01 -0.69 0.00 0.00 -0.55 0.00 0.00 66.41 65.16 2i9b h THR 66 Cb 0.02 0.92 0.00 0.00 -1.73 0.00 0.00 68.15 67.37 2i9b h THR 66 CO 0.01 0.24 -0.08 0.23 -0.25 0.00 0.00 175.52 175.67 2i9b n MET 67 N -4.31 0.86 -0.59 4.72 2.81 -1.26 -4.91 117.12 114.44 2i9b n MET 67 Ca 0.01 -0.29 0.00 0.00 -1.81 0.00 0.00 57.70 55.61 2i9b n MET 67 Cb 0.22 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.24 2i9b n MET 67 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2i9b n GLY 68 N 1.23 0.76 3.81 3.03 0.00 -0.88 -5.06 105.19 108.07 2i9b n GLY 68 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 2i9b n GLY 68 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2i9b s ARG 69 N -0.41 4.12 0.58 1.61 0.52 -1.26 -4.75 118.95 119.36 2i9b s ARG 69 Ca 0.00 1.25 -0.15 0.00 -0.52 0.00 0.00 55.73 56.31 2i9b s ARG 69 Cb 0.00 -2.24 -0.05 0.00 0.52 0.00 0.00 34.95 33.18 2i9b s ARG 69 CO 0.00 -0.14 1.03 -1.25 0.02 0.00 0.00 175.30 174.96 2i9b s PRO 70 N -3.03 3.51 0.41 3.54 0.04 -1.26 -1.24 135.00 136.97 2i9b s PRO 70 Ca 0.62 1.07 -0.18 0.00 0.04 0.00 0.00 61.00 62.55 2i9b s PRO 70 Cb -0.13 -2.07 -0.10 0.00 0.04 0.00 0.00 34.50 32.24 2i9b s PRO 70 CO 0.17 -0.64 0.88 0.00 0.04 0.00 0.00 177.00 177.46 2i9b s LEU 72 N -3.26 4.36 0.45 0.00 1.43 -0.54 -4.87 118.68 116.26 2i9b s LEU 72 Ca 0.59 2.12 -0.24 0.00 -1.03 0.00 0.00 54.13 55.57 2i9b s LEU 72 Cb -0.10 -3.90 -0.07 0.00 0.03 0.00 0.00 46.19 42.15 2i9b s LEU 72 CO 0.17 -0.28 1.21 -2.84 0.23 0.00 0.00 176.35 174.85 2i9b s PRO 73 N -1.93 3.75 0.00 1.29 0.02 -1.26 -4.64 135.00 132.22 2i9b s PRO 73 Ca 0.51 1.90 0.09 0.00 0.02 0.00 0.00 61.00 63.51 2i9b s PRO 73 Cb -0.26 -2.48 0.51 0.00 0.02 0.00 0.00 34.50 32.29 2i9b s PRO 73 CO 0.33 -0.60 1.02 0.91 -0.33 0.00 0.00 177.00 178.33 2i9b n TRP 74 N -0.39 0.00 -0.02 6.54 7.02 0.57 -1.42 117.44 129.74 2i9b n TRP 74 Ca 0.07 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.55 2i9b n TRP 74 Cb 0.47 -0.07 0.00 0.00 -2.42 0.00 0.00 31.31 29.29 2i9b n TRP 74 CO 0.00 0.00 0.00 0.27 -2.02 0.00 0.00 177.69 175.94 2i9b n ASN 75 N -1.07 1.90 -4.61 -0.99 6.94 -1.26 0.20 115.26 116.37 2i9b n ASN 75 Ca 0.06 -1.92 -0.37 0.00 -0.02 0.00 0.00 54.58 52.33 2i9b n ASN 75 Cb 0.04 0.00 0.07 0.00 -2.36 0.00 0.00 39.78 37.52 2i9b n ASN 75 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 2i9b n SER 76 N -0.46 0.58 -0.10 0.53 7.64 -0.51 -4.80 113.62 116.50 2i9b n SER 76 Ca 0.00 0.75 0.02 0.00 1.01 0.00 0.00 58.87 60.64 2i9b n SER 76 Cb 0.24 -1.39 0.32 0.00 -1.01 0.00 0.00 64.21 62.37 2i9b n SER 76 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2i9b h ALA 77 N 0.18 1.54 0.30 -0.43 0.00 -1.97 -1.32 119.26 117.57 2i9b h ALA 77 Ca -0.48 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 2i9b h ALA 77 Cb 1.36 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2i9b h ALA 77 CO 0.49 0.40 -0.15 1.15 0.00 0.00 0.00 179.25 181.15 2i9b h THR 78 N 0.77 0.71 -0.42 0.00 2.02 -1.94 -2.92 112.91 111.13 2i9b h THR 78 Ca 0.20 -0.53 0.06 0.00 0.77 0.00 0.00 66.41 66.91 2i9b h THR 78 Cb -0.03 0.99 -0.02 0.00 -1.74 0.00 0.00 68.15 67.34 2i9b h THR 78 CO -0.04 0.11 0.28 0.58 0.37 0.00 0.00 175.52 176.82 2i9b h VAL 79 N -0.71 0.95 0.00 3.16 2.07 -1.76 0.11 116.25 120.08 2i9b h VAL 79 Ca -0.04 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.37 2i9b h VAL 79 Cb 0.49 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 2i9b h VAL 79 CO 0.07 0.06 0.04 0.18 0.02 0.00 0.00 177.57 177.94 2i9b n LEU 80 N -4.47 0.43 -0.54 2.57 4.77 -0.52 0.49 117.00 119.72 2i9b n LEU 80 Ca 0.05 0.68 0.12 0.00 -0.03 0.00 0.00 56.01 56.84 2i9b n LEU 80 Cb 0.26 -0.73 0.12 0.00 -2.33 0.00 0.00 43.42 40.74 2i9b n LEU 80 CO 0.35 -0.83 0.48 0.00 -1.33 0.00 0.00 177.39 176.05 2i9b n GLN 81 N -2.09 1.40 -2.38 3.23 1.13 0.38 -4.95 117.38 114.11 2i9b n GLN 81 Ca -0.01 -1.10 -0.21 0.00 -1.94 0.00 0.00 57.00 53.74 2i9b n GLN 81 Cb 0.07 -1.48 0.11 0.00 0.11 0.00 0.00 30.24 29.05 2i9b n GLN 81 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 2i9b n GLN 82 N 0.16 -0.08 0.18 -1.09 1.13 0.18 -5.00 117.38 112.86 2i9b n GLN 82 Ca 0.11 -2.47 0.12 0.00 -1.94 0.00 0.00 57.00 52.82 2i9b n GLN 82 Cb 0.47 -0.62 0.11 0.00 0.11 0.00 0.00 30.24 30.30 2i9b n GLN 82 CO 0.00 0.00 0.00 1.79 -1.44 0.00 0.00 177.06 177.41 2i9b h THR 83 N -0.62 0.00 -3.75 5.09 1.35 -1.93 -3.42 112.91 109.63 2i9b h THR 83 Ca -0.30 -0.99 -0.65 0.00 -0.55 0.00 0.00 66.41 63.91 2i9b h THR 83 Cb 1.12 1.81 -0.38 0.00 -1.73 0.00 0.00 68.15 68.96 2i9b h THR 83 CO 0.32 0.00 -0.77 -0.31 -0.25 0.00 0.00 175.52 174.51 2i9b s TYR 84 N -3.27 3.20 0.23 4.73 2.02 -1.26 -5.07 117.35 117.93 2i9b s TYR 84 Ca 0.04 -2.40 -0.09 0.00 -0.37 0.00 0.00 57.07 54.25 2i9b s TYR 84 Cb 0.07 -2.14 -0.02 0.00 -0.40 0.00 0.00 41.96 39.47 2i9b s TYR 84 CO 0.71 -0.88 0.36 -3.38 -1.57 0.00 0.00 175.55 170.79 2i9b s HIS 85 N 1.11 0.61 0.40 2.71 -3.43 -1.26 -4.89 115.29 110.54 2i9b s HIS 85 Ca -0.02 -0.93 0.27 0.00 -0.80 0.00 0.00 55.06 53.58 2i9b s HIS 85 Cb -0.19 -0.06 1.43 0.00 -1.43 0.00 0.00 32.58 32.33 2i9b s HIS 85 CO -0.07 -0.87 2.06 0.00 -2.00 0.00 0.00 174.74 173.87 2i9b h ALA 86 N 2.39 1.28 -0.35 -1.38 0.00 0.20 -3.11 119.26 118.29 2i9b h ALA 86 Ca -0.29 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.44 2i9b h ALA 86 Cb 1.25 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.98 2i9b h ALA 86 CO 0.42 0.15 0.09 0.72 0.00 0.00 0.00 179.25 180.62 2i9b n HIS 87 N -3.64 1.18 -3.00 0.00 8.25 -1.26 -4.67 115.22 112.08 2i9b n HIS 87 Ca -0.02 -0.58 -0.34 0.00 -0.26 0.00 0.00 57.72 56.52 2i9b n HIS 87 Cb 0.24 -0.39 -0.06 0.00 1.12 0.00 0.00 29.99 30.90 2i9b n HIS 87 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2i9b s ARG 88 N -1.82 4.20 0.52 -0.41 0.52 -1.18 -4.93 118.95 115.86 2i9b s ARG 88 Ca 0.28 0.92 0.34 0.00 -0.52 0.00 0.00 55.73 56.75 2i9b s ARG 88 Cb 0.22 -2.54 1.49 0.00 0.52 0.00 0.00 34.95 34.64 2i9b s ARG 88 CO 0.07 0.19 1.81 0.77 0.02 0.00 0.00 175.30 178.16 2i9b h SER 89 N 2.60 0.06 -0.45 0.23 0.02 -1.93 -0.06 113.55 114.02 2i9b h SER 89 Ca -0.48 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 2i9b h SER 89 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.73 2i9b h SER 89 CO 0.64 0.01 0.00 -0.90 -1.14 0.00 0.00 176.83 175.44 2i9b n ASP 90 N -4.25 3.40 -0.28 3.07 3.85 -1.26 -4.72 116.55 116.36 2i9b n ASP 90 Ca 0.25 -1.96 -0.05 0.00 -0.71 0.00 0.00 54.79 52.33 2i9b n ASP 90 Cb 1.17 -0.29 -0.03 0.00 -1.35 0.00 0.00 41.12 40.62 2i9b n ASP 90 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2i9b n ALA 91 N 1.31 -0.29 -0.26 2.12 0.00 -0.04 -0.06 120.51 123.30 2i9b n ALA 91 Ca 0.19 0.63 0.03 0.00 0.00 0.00 0.00 53.44 54.28 2i9b n ALA 91 Cb 0.56 -0.19 0.16 0.00 0.00 0.00 0.00 19.45 19.98 2i9b n ALA 91 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2i9b h LEU 92 N 0.00 0.45 -0.95 0.00 5.85 -1.83 0.05 115.31 118.87 2i9b h LEU 92 Ca 0.17 0.07 -0.09 0.00 0.84 0.00 0.00 57.88 58.86 2i9b h LEU 92 Cb 0.34 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 2i9b h LEU 92 CO -0.67 0.24 -0.24 1.56 -0.34 0.00 0.00 178.44 178.99 2i9b h GLN 93 N 0.59 0.48 0.00 1.25 7.50 -0.84 -2.60 115.11 121.50 2i9b h GLN 93 Ca 0.38 -0.18 0.00 0.00 0.50 0.00 0.00 58.65 59.35 2i9b h GLN 93 Cb 0.44 -0.03 0.00 0.00 0.05 0.00 0.00 27.48 27.94 2i9b h GLN 93 CO -0.30 0.69 -0.04 -0.07 -1.50 0.00 0.00 178.83 177.60 2i9b h LEU 94 N 0.43 0.00 0.00 1.46 3.38 -0.71 -3.47 115.31 116.39 2i9b h LEU 94 Ca 0.06 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2i9b h LEU 94 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 2i9b h LEU 94 CO 0.05 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.19 2i9b n GLY 95 N 1.28 0.47 3.59 0.83 0.00 -0.09 -4.70 105.19 106.58 2i9b n GLY 95 Ca 0.05 -0.93 -0.40 0.00 0.00 0.00 0.00 46.02 44.74 2i9b n GLY 95 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2i9b s LEU 96 N 0.00 4.15 0.00 0.99 1.43 -0.65 -4.98 118.68 119.61 2i9b s LEU 96 Ca 0.00 0.23 0.00 0.00 -1.03 0.00 0.00 54.13 53.33 2i9b s LEU 96 Cb 0.00 -2.52 0.00 0.00 0.03 0.00 0.00 46.19 43.70 2i9b s LEU 96 CO 0.00 -0.29 0.00 0.61 0.23 0.00 0.00 176.35 176.90 2i9b n GLY 97 N 4.66 4.62 2.98 -3.19 0.00 -1.26 -4.22 105.19 108.78 2i9b n GLY 97 Ca -0.06 -1.42 -0.42 0.00 0.00 0.00 0.00 46.02 44.12 2i9b n GLY 97 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2i9b n LYS 98 N 0.00 2.78 -2.31 1.61 5.02 -1.26 -3.71 118.16 120.30 2i9b n LYS 98 Ca 0.00 -2.69 -0.01 0.00 -2.02 0.00 0.00 58.31 53.59 2i9b n LYS 98 Cb 0.00 -3.32 0.01 0.00 -0.02 0.00 0.00 35.03 31.70 2i9b n LYS 98 CO 0.00 0.00 0.00 -2.39 -0.52 0.00 0.00 177.40 174.49 2i9b n HIS 99 N 6.97 -0.93 -2.38 2.13 1.44 -1.26 -5.01 115.22 116.17 2i9b n HIS 99 Ca 0.51 -0.50 -0.05 0.00 -2.01 0.00 0.00 57.72 55.67 2i9b n HIS 99 Cb 0.41 0.24 0.06 0.00 0.12 0.00 0.00 29.99 30.82 2i9b n HIS 99 CO 0.00 0.00 0.00 0.27 -2.81 0.00 0.00 176.34 173.80 2i9b n ASN 100 N -0.88 2.44 -4.77 4.39 6.94 -1.26 -0.31 115.26 121.80 2i9b n ASN 100 Ca -0.01 -2.76 -0.38 0.00 -0.02 0.00 0.00 54.58 51.41 2i9b n ASN 100 Cb 0.22 -0.41 -0.06 0.00 -2.36 0.00 0.00 39.78 37.16 2i9b n ASN 100 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 2i9b s TYR 101 N -2.97 3.80 0.29 -2.53 2.02 -1.26 -4.41 117.35 112.30 2i9b s TYR 101 Ca 0.37 1.77 -0.30 0.00 -0.37 0.00 0.00 57.07 58.53 2i9b s TYR 101 Cb 0.37 -2.89 -0.12 0.00 -0.40 0.00 0.00 41.96 38.91 2i9b s TYR 101 CO -0.05 0.34 1.50 0.00 -1.57 0.00 0.00 175.55 175.77 2i9b n ARG 103 N 1.82 0.44 -3.01 0.00 5.12 0.67 -4.76 116.66 116.93 2i9b n ARG 103 Ca 0.08 -3.18 -0.15 0.00 -1.93 0.00 0.00 57.85 52.67 2i9b n ARG 103 Cb 0.35 2.66 0.00 0.00 -1.16 0.00 0.00 32.46 34.32 2i9b n ARG 103 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 2i9b n ASN 104 N -1.71 -0.61 0.17 0.55 5.15 -1.26 0.49 115.26 118.05 2i9b n ASN 104 Ca 0.07 -3.17 0.13 0.00 -0.60 0.00 0.00 54.58 51.00 2i9b n ASN 104 Cb 0.59 0.37 0.59 0.00 -0.53 0.00 0.00 39.78 40.79 2i9b n ASN 104 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2i9b h PRO 105 N 3.31 0.00 -0.48 1.20 0.13 -1.89 -2.66 132.00 131.60 2i9b h PRO 105 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 2i9b h PRO 105 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 2i9b h PRO 105 CO 0.37 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.74 2i9b n ASP 106 N -2.43 3.56 -1.05 1.44 3.85 -1.26 -4.99 116.55 115.68 2i9b n ASP 106 Ca 0.01 -2.17 -0.11 0.00 -0.71 0.00 0.00 54.79 51.81 2i9b n ASP 106 Cb 0.19 -0.38 -0.03 0.00 -1.35 0.00 0.00 41.12 39.55 2i9b n ASP 106 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 2i9b n ASN 107 N 0.80 -4.08 -3.91 -1.12 5.03 -1.00 -5.03 115.26 105.94 2i9b n ASN 107 Ca 0.18 0.16 -0.29 0.00 0.87 0.00 0.00 54.58 55.50 2i9b n ASN 107 Cb 0.59 -2.88 0.28 0.00 -1.02 0.00 0.00 39.78 36.75 2i9b n ASN 107 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 2i9b s ARG 108 N -3.63 -2.26 0.30 3.52 0.52 -1.26 -4.92 118.95 111.22 2i9b s ARG 108 Ca 0.00 0.49 -0.01 0.00 -0.52 0.00 0.00 55.73 55.69 2i9b s ARG 108 Cb 0.00 -1.42 0.46 0.00 0.52 0.00 0.00 34.95 34.51 2i9b s ARG 108 CO 0.00 -4.52 1.96 0.07 0.02 0.00 0.00 175.30 172.83 2i9b h ARG 109 N -3.18 1.07 -4.19 3.54 0.11 -1.96 -3.45 114.38 106.32 2i9b h ARG 109 Ca -0.53 -0.06 -0.15 0.00 0.10 0.00 0.00 59.98 59.34 2i9b h ARG 109 Cb 1.34 -0.24 -0.14 0.00 1.11 0.00 0.00 29.97 32.04 2i9b h ARG 109 CO 0.39 0.71 -0.52 -0.98 0.10 0.00 0.00 179.97 179.66 2i9b s ARG 110 N -5.92 0.97 0.38 0.08 1.70 -1.24 -4.33 118.95 110.59 2i9b s ARG 110 Ca -0.12 -1.30 -0.27 0.00 -0.47 0.00 0.00 55.73 53.57 2i9b s ARG 110 Cb 0.18 0.29 -0.10 0.00 -0.57 0.00 0.00 34.95 34.76 2i9b s ARG 110 CO 0.79 -0.30 1.34 -2.14 -1.08 0.00 0.00 175.30 173.91 2i9b s PRO 111 N -4.00 4.11 0.27 3.89 0.02 -1.25 -4.87 135.00 133.16 2i9b s PRO 111 Ca 0.19 2.26 0.05 0.00 0.02 0.00 0.00 61.00 63.52 2i9b s PRO 111 Cb 0.06 -2.89 -0.02 0.00 0.02 0.00 0.00 34.50 31.67 2i9b s PRO 111 CO -0.01 -0.42 0.25 -2.67 -0.33 0.00 0.00 177.00 173.83 2i9b n TRP 112 N 0.39 -0.74 -3.50 6.54 4.27 0.18 -1.49 117.44 123.09 2i9b n TRP 112 Ca 0.02 -2.16 -0.10 0.00 -3.89 0.00 0.00 57.50 51.36 2i9b n TRP 112 Cb 0.42 0.27 -0.03 0.00 -1.36 0.00 0.00 31.31 30.61 2i9b n TRP 112 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2i9b s TYR 114 N -2.64 3.05 0.02 0.00 2.02 -1.26 -1.90 117.35 116.63 2i9b s TYR 114 Ca 0.01 1.59 0.02 0.00 -0.37 0.00 0.00 57.07 58.32 2i9b s TYR 114 Cb -0.01 -3.06 -0.01 0.00 -0.40 0.00 0.00 41.96 38.48 2i9b s TYR 114 CO -0.06 -0.77 -0.06 0.08 -1.57 0.00 0.00 175.55 173.17 2i9b s VAL 115 N -1.95 0.47 -0.71 0.71 1.01 0.48 -1.46 120.40 118.95 2i9b s VAL 115 Ca 0.66 -0.65 -0.26 0.00 0.00 0.00 0.00 61.98 61.73 2i9b s VAL 115 Cb -0.17 -0.47 0.04 0.00 0.00 0.00 0.00 36.38 35.78 2i9b s VAL 115 CO 0.20 -0.14 1.18 -1.58 0.00 0.00 0.00 175.10 174.76 2i9b s GLN 116 N -0.86 3.18 -0.53 2.72 2.00 -1.26 -1.18 119.66 123.73 2i9b s GLN 116 Ca -0.04 -0.40 -0.04 0.00 -2.00 0.00 0.00 55.36 52.87 2i9b s GLN 116 Cb -0.06 -4.19 0.14 0.00 0.80 0.00 0.00 33.01 29.70 2i9b s GLN 116 CO 0.00 -2.03 0.35 0.08 -0.50 0.00 0.00 175.29 173.19 2i9b s VAL 117 N 5.19 3.72 0.00 1.34 1.01 0.79 -4.94 120.40 127.51 2i9b s VAL 117 Ca 0.31 -2.40 0.00 0.00 0.00 0.00 0.00 61.98 59.89 2i9b s VAL 117 Cb -0.11 -3.46 0.00 0.00 0.00 0.00 0.00 36.38 32.81 2i9b s VAL 117 CO 0.14 -0.80 0.00 0.61 0.00 0.00 0.00 175.10 175.05 2i9b n GLY 118 N 4.16 2.84 0.74 4.51 0.00 -1.26 -2.17 105.19 114.01 2i9b n GLY 118 Ca 0.02 -0.28 0.07 0.00 0.00 0.00 0.00 46.02 45.83 2i9b n GLY 118 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2i9b n LEU 119 N 0.00 3.43 -4.18 0.99 4.77 -1.26 -4.96 117.00 115.79 2i9b n LEU 119 Ca 0.00 -2.62 -0.29 0.00 -0.03 0.00 0.00 56.01 53.07 2i9b n LEU 119 Cb 0.00 -0.41 -0.16 0.00 -2.33 0.00 0.00 43.42 40.52 2i9b n LEU 119 CO 0.00 0.69 -0.53 -1.59 -1.33 0.00 0.00 177.39 174.63 2i9b s LYS 120 N -2.12 2.22 -0.96 3.23 -2.85 -0.92 -5.06 119.74 113.29 2i9b s LYS 120 Ca 0.34 -0.72 -0.20 0.00 -1.00 0.00 0.00 55.97 54.38 2i9b s LYS 120 Cb 0.25 -1.84 0.10 0.00 -2.06 0.00 0.00 37.83 34.27 2i9b s LYS 120 CO 0.11 0.25 1.25 -1.25 0.10 0.00 0.00 175.35 175.81 2i9b s PRO 121 N 0.10 3.59 0.11 1.78 0.04 -1.25 -0.15 135.00 139.21 2i9b s PRO 121 Ca -0.08 -1.50 -0.04 0.00 0.04 0.00 0.00 61.00 59.43 2i9b s PRO 121 Cb -0.14 -5.08 -0.05 0.00 0.04 0.00 0.00 34.50 29.28 2i9b s PRO 121 CO 0.04 -1.94 0.33 -0.51 0.04 0.00 0.00 177.00 174.96 2i9b s LEU 122 N 3.60 4.30 0.24 -3.56 1.43 -0.32 -4.72 118.68 119.64 2i9b s LEU 122 Ca 0.38 0.52 -0.30 0.00 -1.03 0.00 0.00 54.13 53.70 2i9b s LEU 122 Cb -0.03 -3.16 -0.09 0.00 0.03 0.00 0.00 46.19 42.93 2i9b s LEU 122 CO -0.09 0.10 1.30 -0.69 0.23 0.00 0.00 176.35 177.20 2i9b s VAL 123 N -1.58 3.06 -0.05 -1.59 1.01 -1.26 -0.38 120.40 119.60 2i9b s VAL 123 Ca 0.38 0.93 -0.02 0.00 0.00 0.00 0.00 61.98 63.27 2i9b s VAL 123 Cb -0.12 -3.60 0.03 0.00 0.00 0.00 0.00 36.38 32.69 2i9b s VAL 123 CO 0.24 0.17 0.12 -1.10 0.00 0.00 0.00 175.10 174.53 2i9b s GLN 124 N -0.67 0.07 0.33 2.72 -1.52 -0.80 -4.90 119.66 114.90 2i9b s GLN 124 Ca 0.54 0.31 -0.27 0.00 -1.95 0.00 0.00 55.36 53.99 2i9b s GLN 124 Cb -0.37 -0.16 -0.09 0.00 -0.22 0.00 0.00 33.01 32.17 2i9b s GLN 124 CO 0.42 -0.14 1.07 -1.21 -0.25 0.00 0.00 175.29 175.18 2i9b s GLU 125 N 1.00 4.44 0.36 2.91 2.02 -1.26 -1.93 118.70 126.23 2i9b s GLU 125 Ca -0.08 1.65 -0.06 0.00 0.02 0.00 0.00 54.97 56.51 2i9b s GLU 125 Cb -0.10 -2.90 0.08 0.00 0.10 0.00 0.00 34.13 31.31 2i9b s GLU 125 CO -0.05 0.07 0.49 0.00 0.02 0.00 0.00 175.26 175.80 2i9b n MET 127 N -2.03 0.65 -1.55 0.00 2.81 -1.15 -4.46 117.12 111.38 2i9b n MET 127 Ca 0.06 0.27 -0.43 0.00 -1.81 0.00 0.00 57.70 55.80 2i9b n MET 127 Cb 0.22 -1.77 0.00 0.00 -0.71 0.00 0.00 33.22 30.96 2i9b n MET 127 CO 0.00 0.00 0.00 1.33 1.51 0.00 0.00 175.97 178.81 2i9b n VAL 128 N -3.07 2.13 -3.80 2.03 0.24 -1.26 -5.00 118.33 109.61 2i9b n VAL 128 Ca -0.20 -0.50 -0.13 0.00 -2.04 0.00 0.00 64.34 61.47 2i9b n VAL 128 Cb 1.06 -0.90 -0.01 0.00 -1.47 0.00 0.00 33.84 32.52 2i9b n VAL 128 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 2i9b n HIS 129 N -0.37 -0.79 -2.47 6.34 -0.00 -1.26 -4.92 115.22 111.75 2i9b n HIS 129 Ca 0.10 -1.13 -0.36 0.00 -0.00 0.00 0.00 57.72 56.34 2i9b n HIS 129 Cb 0.37 -0.20 -0.03 0.00 -0.00 0.00 0.00 29.99 30.12 2i9b n HIS 129 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2i9b s ASP 130 N -2.50 6.44 0.07 0.41 1.11 -1.26 -2.53 116.67 118.40 2i9b s ASP 130 Ca 0.12 2.06 0.09 0.00 0.18 0.00 0.00 52.55 55.01 2i9b s ASP 130 Cb -0.01 -2.58 0.43 0.00 1.07 0.00 0.00 42.92 41.83 2i9b s ASP 130 CO 0.08 -0.71 1.29 0.00 1.18 0.00 0.00 175.17 177.00