#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xb9 s GLN 16 N 0.00 3.08 -0.12 4.33 0.74 0.13 -4.94 119.66 122.88 1xb9 s GLN 16 Ca 0.00 -1.01 -0.04 0.00 0.05 0.00 0.00 55.36 54.36 1xb9 s GLN 16 Cb 0.00 -2.70 0.06 0.00 1.10 0.00 0.00 33.01 31.47 1xb9 s GLN 16 CO 0.00 0.26 0.21 1.21 -0.55 0.00 0.00 175.29 176.43 1xb9 s ASN 17 N -3.99 0.70 0.25 6.67 2.47 -1.26 -1.51 114.94 118.27 1xb9 s ASN 17 Ca 0.38 0.34 0.11 0.00 0.42 0.00 0.00 52.86 54.10 1xb9 s ASN 17 Cb -0.08 0.47 -0.05 0.00 -1.45 0.00 0.00 41.25 40.14 1xb9 s ASN 17 CO 0.28 -0.26 -0.19 -0.36 -3.72 0.00 0.00 177.10 172.85 1xb9 s PHE 18 N 2.35 2.15 0.54 0.43 0.40 0.02 -4.98 117.98 118.90 1xb9 s PHE 18 Ca 0.03 -0.39 -0.20 0.00 -0.60 0.00 0.00 56.93 55.77 1xb9 s PHE 18 Cb -0.13 -0.97 -0.05 0.00 0.51 0.00 0.00 43.02 42.38 1xb9 s PHE 18 CO -0.08 0.60 1.17 -0.51 0.70 0.00 0.00 175.22 177.10 1xb9 s LEU 19 N -3.31 3.79 0.01 -0.37 1.43 -1.26 -0.72 118.68 118.26 1xb9 s LEU 19 Ca 0.26 2.31 0.02 0.00 -1.03 0.00 0.00 54.13 55.69 1xb9 s LEU 19 Cb -0.05 -4.49 -0.01 0.00 0.03 0.00 0.00 46.19 41.67 1xb9 s LEU 19 CO 0.12 -1.28 -0.07 0.12 0.23 0.00 0.00 176.35 175.47 1xb9 s PHE 20 N -1.64 0.60 0.13 0.29 5.36 -0.50 -4.55 117.98 117.68 1xb9 s PHE 20 Ca 0.72 -0.25 -0.25 0.00 -0.96 0.00 0.00 56.93 56.19 1xb9 s PHE 20 Cb -0.28 -0.38 0.07 0.00 -0.34 0.00 0.00 43.02 42.09 1xb9 s PHE 20 CO 0.32 -0.03 0.84 0.20 -1.46 0.00 0.00 175.22 175.08 1xb9 s GLY 21 N -0.68 -0.34 0.21 13.12 0.00 -1.26 -1.42 107.32 116.95 1xb9 s GLY 21 Ca -0.02 0.37 -0.21 0.00 0.00 0.00 0.00 44.72 44.86 1xb9 s GLY 21 CO 0.00 0.11 0.62 0.00 0.00 0.00 0.00 173.10 173.83 1xb9 s GLU 23 N -3.85 2.33 -0.06 0.00 2.12 -1.26 -1.15 118.70 116.83 1xb9 s GLU 23 Ca 0.07 -0.84 0.04 0.00 0.36 0.00 0.00 54.97 54.60 1xb9 s GLU 23 Cb -0.03 -2.00 0.00 0.00 0.26 0.00 0.00 34.13 32.36 1xb9 s GLU 23 CO -0.03 0.37 -0.17 -0.51 -0.54 0.00 0.00 175.26 174.38 1xb9 s LEU 24 N -0.16 1.88 0.17 2.70 1.43 0.12 -4.88 118.68 119.94 1xb9 s LEU 24 Ca -0.02 -0.37 -0.13 0.00 -1.03 0.00 0.00 54.13 52.58 1xb9 s LEU 24 Cb -0.13 -1.01 0.01 0.00 0.03 0.00 0.00 46.19 45.09 1xb9 s LEU 24 CO 0.03 0.13 0.38 -1.59 0.23 0.00 0.00 176.35 175.53 1xb9 s LYS 25 N 0.21 1.23 0.34 1.70 0.00 -1.04 -0.28 119.74 121.90 1xb9 s LYS 25 Ca -0.08 -1.03 0.07 0.00 0.00 0.00 0.00 55.97 54.92 1xb9 s LYS 25 Cb -0.13 0.44 0.75 0.00 0.00 0.00 0.00 37.83 38.88 1xb9 s LYS 25 CO 0.03 -0.48 1.88 0.00 0.00 0.00 0.00 175.35 176.78 1xb9 h ALA 26 N 2.41 1.75 -3.00 0.59 0.00 -1.26 -2.39 119.26 117.36 1xb9 h ALA 26 Ca -0.31 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1xb9 h ALA 26 Cb 1.24 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1xb9 h ALA 26 CO 0.44 0.03 0.00 -0.25 0.00 0.00 0.00 179.25 179.47 1xb9 n ASP 27 N -4.55 0.00 -4.56 0.00 9.92 -1.26 -4.46 116.55 111.64 1xb9 n ASP 27 Ca 0.17 0.00 -0.22 0.00 -0.53 0.00 0.00 54.79 54.21 1xb9 n ASP 27 Cb 0.40 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 40.83 1xb9 n ASP 27 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 1xb9 s LYS 28 N 0.00 2.01 0.04 -1.24 2.20 -0.92 -4.79 119.74 117.03 1xb9 s LYS 28 Ca 0.00 0.38 0.17 0.00 -0.36 0.00 0.00 55.97 56.16 1xb9 s LYS 28 Cb 0.00 -4.81 0.73 0.00 -1.51 0.00 0.00 37.83 32.24 1xb9 s LYS 28 CO 0.00 -3.88 1.55 1.63 -0.36 0.00 0.00 175.35 174.29 1xb9 n LYS 29 N 8.88 0.03 -4.55 4.03 5.02 -1.11 -2.50 118.16 127.96 1xb9 n LYS 29 Ca 0.42 0.25 -0.24 0.00 -2.02 0.00 0.00 58.31 56.72 1xb9 n LYS 29 Cb 0.46 -1.55 -0.14 0.00 -0.02 0.00 0.00 35.03 33.78 1xb9 n LYS 29 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1xb9 s GLU 30 N -3.04 1.25 -0.06 1.97 2.02 -1.26 -2.03 118.70 117.55 1xb9 s GLU 30 Ca 0.07 -0.89 0.04 0.00 0.02 0.00 0.00 54.97 54.21 1xb9 s GLU 30 Cb 0.10 -1.34 -0.00 0.00 0.10 0.00 0.00 34.13 32.99 1xb9 s GLU 30 CO 0.31 0.34 -0.18 -0.47 0.02 0.00 0.00 175.26 175.28 1xb9 s TYR 31 N -0.82 1.90 -0.28 1.61 5.04 0.01 -4.99 117.35 119.81 1xb9 s TYR 31 Ca 0.06 -0.61 -0.05 0.00 -2.44 0.00 0.00 57.07 54.03 1xb9 s TYR 31 Cb -0.09 -1.28 0.02 0.00 0.35 0.00 0.00 41.96 40.96 1xb9 s TYR 31 CO 0.02 -0.23 0.03 0.45 -1.34 0.00 0.00 175.55 174.48 1xb9 s SER 32 N 0.15 4.85 -0.15 4.32 0.15 -1.26 -0.60 113.70 121.16 1xb9 s SER 32 Ca -0.08 -0.78 -0.02 0.00 0.70 0.00 0.00 55.95 55.77 1xb9 s SER 32 Cb -0.13 -1.80 -0.02 0.00 -1.71 0.00 0.00 66.02 62.35 1xb9 s SER 32 CO 0.04 -0.17 -0.07 0.12 1.20 0.00 0.00 173.24 174.35 1xb9 s PHE 33 N 1.43 2.94 0.42 3.44 2.19 0.77 -4.99 117.98 124.18 1xb9 s PHE 33 Ca 0.01 -0.49 -0.26 0.00 0.33 0.00 0.00 56.93 56.52 1xb9 s PHE 33 Cb -0.17 -1.93 -0.09 0.00 -1.31 0.00 0.00 43.02 39.52 1xb9 s PHE 33 CO 0.00 -0.15 1.42 0.14 1.83 0.00 0.00 175.22 178.45 1xb9 s VAL 35 N 0.47 2.18 -0.10 3.12 -7.23 -1.26 -3.99 120.40 113.59 1xb9 s VAL 35 Ca -0.06 0.17 -0.06 0.00 -1.81 0.00 0.00 61.98 60.22 1xb9 s VAL 35 Cb -0.15 -3.10 -0.04 0.00 0.56 0.00 0.00 36.38 33.65 1xb9 s VAL 35 CO 0.03 0.03 0.15 -0.70 -0.31 0.00 0.00 175.10 174.30 1xb9 s GLU 36 N -2.30 3.44 -0.51 4.82 2.56 -1.26 -5.05 118.70 120.39 1xb9 s GLU 36 Ca 0.58 -0.17 -0.22 0.00 0.00 0.00 0.00 54.97 55.16 1xb9 s GLU 36 Cb -0.43 -3.17 0.04 0.00 2.00 0.00 0.00 34.13 32.57 1xb9 s GLU 36 CO 0.57 0.76 0.78 0.16 -0.56 0.00 0.00 175.26 176.97 1xb9 s ASP 37 N -1.20 6.31 0.06 -1.70 -4.77 -1.26 -4.87 116.67 109.24 1xb9 s ASP 37 Ca 0.17 -0.52 -0.08 0.00 -3.30 0.00 0.00 52.55 48.83 1xb9 s ASP 37 Cb -0.12 -2.37 -0.01 0.00 -1.09 0.00 0.00 42.92 39.34 1xb9 s ASP 37 CO 0.07 -1.03 0.15 -0.62 0.70 0.00 0.00 175.17 174.44 1xb9 s ASP 38 N 2.62 0.15 0.00 2.11 2.15 -1.26 -5.05 116.67 117.39 1xb9 s ASP 38 Ca 0.24 -0.59 0.21 0.00 0.43 0.00 0.00 52.55 52.84 1xb9 s ASP 38 Cb -0.15 0.29 0.53 0.00 -0.30 0.00 0.00 42.92 43.29 1xb9 s ASP 38 CO 0.17 -0.63 1.45 -0.62 -0.17 0.00 0.00 175.17 175.37 1xb9 n GLU 39 N 0.31 2.26 -4.32 4.34 4.71 -1.26 -5.01 120.64 121.66 1xb9 n GLU 39 Ca -0.17 -1.92 -0.22 0.00 -0.01 0.00 0.00 57.16 54.84 1xb9 n GLU 39 Cb 0.61 -1.46 -0.12 0.00 -1.01 0.00 0.00 31.44 29.46 1xb9 n GLU 39 CO 0.00 0.00 0.00 -0.80 0.09 0.00 0.00 177.13 176.42 1xb9 s ASN 40 N -1.37 2.67 0.06 1.62 0.01 -1.26 -5.14 114.94 111.53 1xb9 s ASN 40 Ca 0.37 -0.82 -0.17 0.00 -0.71 0.00 0.00 52.86 51.53 1xb9 s ASN 40 Cb 0.21 -0.16 -0.06 0.00 0.41 0.00 0.00 41.25 41.65 1xb9 s ASN 40 CO 0.29 -0.01 0.50 -0.70 -1.51 0.00 0.00 177.10 175.67 1xb9 s GLU 41 N -2.58 4.04 -0.01 -0.60 2.12 -1.26 -5.02 118.70 115.40 1xb9 s GLU 41 Ca 0.14 0.56 0.08 0.00 0.36 0.00 0.00 54.97 56.10 1xb9 s GLU 41 Cb -0.07 -3.18 -0.02 0.00 0.26 0.00 0.00 34.13 31.12 1xb9 s GLU 41 CO 0.06 0.64 -0.24 -1.01 -0.54 0.00 0.00 175.26 174.16 1xb9 s HIS 42 N -1.16 2.38 0.00 5.30 3.76 -1.26 -4.35 115.29 119.96 1xb9 s HIS 42 Ca 0.28 -0.39 0.00 0.00 -0.15 0.00 0.00 55.06 54.80 1xb9 s HIS 42 Cb -0.18 -1.50 -0.00 0.00 1.11 0.00 0.00 32.58 32.02 1xb9 s HIS 42 CO 0.17 0.03 -0.01 -0.65 -0.85 0.00 0.00 174.74 173.43 1xb9 s GLN 43 N -0.77 0.08 -0.19 1.40 -1.52 -0.81 -4.27 119.66 113.57 1xb9 s GLN 43 Ca 0.11 -0.05 -0.13 0.00 -1.95 0.00 0.00 55.36 53.34 1xb9 s GLN 43 Cb -0.10 -0.06 -0.05 0.00 -0.22 0.00 0.00 33.01 32.58 1xb9 s GLN 43 CO -0.00 0.02 0.27 -0.51 -0.25 0.00 0.00 175.29 174.82 1xb9 s LEU 44 N -0.06 4.19 -0.32 2.90 1.02 -0.14 -0.94 118.68 125.33 1xb9 s LEU 44 Ca -0.00 0.39 -0.08 0.00 0.02 0.00 0.00 54.13 54.46 1xb9 s LEU 44 Cb -0.01 -2.32 0.01 0.00 0.02 0.00 0.00 46.19 43.90 1xb9 s LEU 44 CO -0.00 0.05 0.13 -0.55 0.02 0.00 0.00 176.35 176.00 1xb9 s SER 45 N 0.74 5.38 -0.03 2.29 0.15 0.21 0.06 113.70 122.50 1xb9 s SER 45 Ca 0.14 -0.80 -0.23 0.00 0.70 0.00 0.00 55.95 55.76 1xb9 s SER 45 Cb -0.13 -1.94 -0.04 0.00 -1.71 0.00 0.00 66.02 62.20 1xb9 s SER 45 CO 0.04 -0.26 0.69 -0.76 1.20 0.00 0.00 173.24 174.16 1xb9 s LEU 46 N 1.52 4.37 0.00 3.45 1.43 -0.37 0.36 118.68 129.44 1xb9 s LEU 46 Ca 0.02 1.25 0.00 0.00 -1.03 0.00 0.00 54.13 54.37 1xb9 s LEU 46 Cb -0.18 -3.08 0.00 0.00 0.03 0.00 0.00 46.19 42.96 1xb9 s LEU 46 CO 0.04 -0.04 0.00 0.54 0.23 0.00 0.00 176.35 177.13 1xb9 n ARG 47 N 3.31 0.00 -4.31 1.70 5.12 0.00 -1.50 116.66 120.98 1xb9 n ARG 47 Ca -0.03 0.00 -0.22 0.00 -1.93 0.00 0.00 57.85 55.67 1xb9 n ARG 47 Cb 0.51 -0.24 -0.12 0.00 -1.16 0.00 0.00 32.46 31.46 1xb9 n ARG 47 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1xb9 s THR 48 N -0.78 1.76 -0.08 0.55 -4.23 -1.16 0.38 115.64 112.08 1xb9 s THR 48 Ca 0.00 -1.79 0.04 0.00 -1.18 0.00 0.00 61.69 58.76 1xb9 s THR 48 Cb 0.00 -1.74 0.00 0.00 1.34 0.00 0.00 72.50 72.11 1xb9 s THR 48 CO 0.00 -0.23 -0.21 -0.69 -0.54 0.00 0.00 174.62 172.95 1xb9 s VAL 49 N -1.76 1.78 -0.07 2.29 1.01 -0.12 -0.13 120.40 123.40 1xb9 s VAL 49 Ca 0.12 -0.87 -0.16 0.00 0.00 0.00 0.00 61.98 61.08 1xb9 s VAL 49 Cb -0.07 -1.54 0.03 0.00 0.00 0.00 0.00 36.38 34.80 1xb9 s VAL 49 CO 0.06 0.50 0.38 -0.94 0.00 0.00 0.00 175.10 175.10 1xb9 s SER 50 N 0.32 -0.33 -0.14 3.32 1.04 -0.53 -0.30 113.70 117.08 1xb9 s SER 50 Ca -0.15 0.45 -0.16 0.00 0.48 0.00 0.00 55.95 56.57 1xb9 s SER 50 Cb -0.16 0.55 -0.04 0.00 0.10 0.00 0.00 66.02 66.46 1xb9 s SER 50 CO 0.06 -0.33 0.37 -0.76 0.98 0.00 0.00 173.24 173.56 1xb9 s LEU 51 N -0.67 4.26 0.87 2.42 1.43 -0.97 0.30 118.68 126.32 1xb9 s LEU 51 Ca -0.08 0.64 -0.13 0.00 -1.03 0.00 0.00 54.13 53.54 1xb9 s LEU 51 Cb -0.04 -2.51 0.12 0.00 0.03 0.00 0.00 46.19 43.79 1xb9 s LEU 51 CO 0.03 0.06 1.19 -0.83 0.23 0.00 0.00 176.35 177.03 1xb9 s GLY 52 N 0.52 1.61 0.29 -3.19 0.00 -0.04 -4.95 107.32 101.56 1xb9 s GLY 52 Ca 0.20 -0.70 -0.00 0.00 0.00 0.00 0.00 44.72 44.22 1xb9 s GLY 52 CO 0.07 -0.14 1.90 0.00 0.00 0.00 0.00 173.10 174.92 1xb9 h ALA 53 N -1.29 1.48 -0.55 3.20 0.00 -1.97 -2.31 119.26 117.83 1xb9 h ALA 53 Ca -0.47 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.37 1xb9 h ALA 53 Cb 1.32 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 1xb9 h ALA 53 CO 0.60 0.37 0.06 -1.13 0.00 0.00 0.00 179.25 179.16 1xb9 n SER 54 N -4.50 5.03 -4.80 0.00 3.41 -1.26 -4.90 113.62 106.60 1xb9 n SER 54 Ca 0.15 -2.89 -0.37 0.00 -0.26 0.00 0.00 58.87 55.50 1xb9 n SER 54 Cb 0.21 -0.68 -0.06 0.00 -0.26 0.00 0.00 64.21 63.41 1xb9 n SER 54 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xb9 s ALA 55 N -2.60 3.37 0.62 7.33 0.00 -0.87 -4.73 121.76 124.89 1xb9 s ALA 55 Ca 0.48 0.30 -0.16 0.00 0.00 0.00 0.00 51.96 52.58 1xb9 s ALA 55 Cb 0.37 -2.94 -0.02 0.00 0.00 0.00 0.00 23.12 20.53 1xb9 s ALA 55 CO 0.14 0.28 1.10 0.15 0.00 0.00 0.00 175.76 177.43 1xb9 s LYS 56 N -1.79 3.02 -1.34 0.00 1.02 -1.26 -4.96 119.74 114.44 1xb9 s LYS 56 Ca 0.43 1.40 -0.14 0.00 0.02 0.00 0.00 55.97 57.67 1xb9 s LYS 56 Cb -0.19 -1.98 0.10 0.00 -0.52 0.00 0.00 37.83 35.24 1xb9 s LYS 56 CO 0.23 -1.07 1.89 -3.47 -0.92 0.00 0.00 175.35 172.00 1xb9 n ASP 57 N -2.10 4.64 -3.26 2.83 2.03 -1.26 -4.62 116.55 114.81 1xb9 n ASP 57 Ca 0.10 -2.94 -0.12 0.00 0.52 0.00 0.00 54.79 52.35 1xb9 n ASP 57 Cb 0.52 -1.63 -0.02 0.00 -0.72 0.00 0.00 41.12 39.26 1xb9 n ASP 57 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 1xb9 s GLU 58 N 2.66 1.96 -0.09 -0.67 -1.05 -1.26 -4.93 118.70 115.33 1xb9 s GLU 58 Ca 0.47 -1.58 -0.22 0.00 -0.15 0.00 0.00 54.97 53.49 1xb9 s GLU 58 Cb 0.08 0.51 -0.04 0.00 -0.44 0.00 0.00 34.13 34.23 1xb9 s GLU 58 CO -0.01 -0.85 0.64 -1.17 0.95 0.00 0.00 175.26 174.82 1xb9 s LEU 59 N -3.15 4.30 -0.06 1.83 1.98 -1.26 -4.33 118.68 117.98 1xb9 s LEU 59 Ca 0.24 1.08 0.03 0.00 -2.89 0.00 0.00 54.13 52.59 1xb9 s LEU 59 Cb -0.02 -2.97 -0.02 0.00 0.66 0.00 0.00 46.19 43.83 1xb9 s LEU 59 CO 0.16 -0.09 -0.16 -1.00 -1.89 0.00 0.00 176.35 173.37 1xb9 s HIS 60 N 0.80 2.68 -0.10 5.38 3.76 0.88 -3.85 115.29 124.84 1xb9 s HIS 60 Ca 0.34 -0.31 0.03 0.00 -0.15 0.00 0.00 55.06 54.97 1xb9 s HIS 60 Cb -0.17 -1.66 0.00 0.00 1.11 0.00 0.00 32.58 31.86 1xb9 s HIS 60 CO 0.16 0.06 -0.22 0.08 -0.85 0.00 0.00 174.74 173.97 1xb9 s VAL 61 N -0.47 1.90 -0.18 -0.90 1.01 -0.96 -1.44 120.40 119.36 1xb9 s VAL 61 Ca 0.06 -0.92 -0.07 0.00 0.00 0.00 0.00 61.98 61.04 1xb9 s VAL 61 Cb -0.12 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 1xb9 s VAL 61 CO 0.02 0.52 0.06 -0.69 0.00 0.00 0.00 175.10 175.01 1xb9 s VAL 62 N 0.47 4.74 0.24 2.92 1.01 -0.87 -1.08 120.40 127.83 1xb9 s VAL 62 Ca -0.17 -0.05 0.10 0.00 0.00 0.00 0.00 61.98 61.87 1xb9 s VAL 62 Cb -0.17 -3.14 -0.05 0.00 0.00 0.00 0.00 36.38 33.02 1xb9 s VAL 62 CO 0.07 0.46 -0.19 -1.83 0.00 0.00 0.00 175.10 173.61 1xb9 s GLU 63 N 0.42 1.53 0.01 2.72 -1.05 0.98 -0.47 118.70 122.84 1xb9 s GLU 63 Ca 0.03 -1.67 0.08 0.00 -0.15 0.00 0.00 54.97 53.26 1xb9 s GLU 63 Cb -0.13 -1.56 -0.02 0.00 -0.44 0.00 0.00 34.13 31.98 1xb9 s GLU 63 CO 0.00 0.29 -0.23 0.00 0.95 0.00 0.00 175.26 176.28 1xb9 s ALA 64 N -2.52 1.94 -0.08 -0.84 0.00 -0.22 -0.78 121.76 119.27 1xb9 s ALA 64 Ca 0.26 -1.07 0.04 0.00 0.00 0.00 0.00 51.96 51.19 1xb9 s ALA 64 Cb -0.04 -0.44 0.00 0.00 0.00 0.00 0.00 23.12 22.64 1xb9 s ALA 64 CO 0.12 0.46 -0.20 -2.00 0.00 0.00 0.00 175.76 174.14 1xb9 s GLU 65 N -0.88 2.47 -0.01 0.00 2.12 0.22 -0.99 118.70 121.62 1xb9 s GLU 65 Ca 0.09 -0.72 -0.29 0.00 0.36 0.00 0.00 54.97 54.42 1xb9 s GLU 65 Cb -0.09 -1.94 0.10 0.00 0.26 0.00 0.00 34.13 32.45 1xb9 s GLU 65 CO 0.01 0.16 1.28 0.20 -0.54 0.00 0.00 175.26 176.37 1xb9 s GLY 66 N 0.35 -0.15 0.24 -1.50 0.00 -0.54 -1.04 107.32 104.67 1xb9 s GLY 66 Ca -0.14 0.10 -0.28 0.00 0.00 0.00 0.00 44.72 44.40 1xb9 s GLY 66 CO 0.06 4.96 0.90 -0.26 0.00 0.00 0.00 173.10 178.76 1xb9 s ILE 67 N -2.07 4.17 0.66 0.90 -4.36 -1.26 -0.99 121.20 118.25 1xb9 s ILE 67 Ca 0.28 1.94 -0.11 0.00 -0.26 0.00 0.00 60.65 62.50 1xb9 s ILE 67 Cb 0.00 -4.23 0.16 0.00 1.25 0.00 0.00 42.46 39.64 1xb9 s ILE 67 CO -0.01 0.44 0.68 -0.46 0.24 0.00 0.00 174.94 175.83 1xb9 n ASN 68 N 1.35 -1.04 0.05 4.36 0.23 0.21 -4.90 115.26 115.52 1xb9 n ASN 68 Ca -0.02 -1.02 0.11 0.00 -0.53 0.00 0.00 54.58 53.12 1xb9 n ASN 68 Cb 0.48 -0.58 0.45 0.00 -2.08 0.00 0.00 39.78 38.05 1xb9 n ASN 68 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1xb9 n TYR 69 N -3.58 0.37 1.37 -2.53 0.18 -1.26 -1.83 117.16 109.87 1xb9 n TYR 69 Ca 0.09 0.13 0.05 0.00 1.88 0.00 0.00 57.90 60.05 1xb9 n TYR 69 Cb 0.34 -0.71 0.17 0.00 -0.38 0.00 0.00 39.34 38.76 1xb9 n TYR 69 CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17 1xb9 n GLU 70 N -1.82 1.48 -1.10 -3.48 4.71 -1.26 -4.97 120.64 114.20 1xb9 n GLU 70 Ca 0.04 -0.74 -0.07 0.00 -0.01 0.00 0.00 57.16 56.39 1xb9 n GLU 70 Cb 0.27 -1.20 -0.03 0.00 -1.01 0.00 0.00 31.44 29.47 1xb9 n GLU 70 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1xb9 n GLY 71 N 0.87 0.66 3.69 0.62 0.00 -0.76 -5.01 105.19 105.26 1xb9 n GLY 71 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1xb9 n GLY 71 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xb9 s LYS 72 N -2.39 4.41 0.04 1.61 2.20 -1.26 -4.79 119.74 119.56 1xb9 s LYS 72 Ca 0.00 1.50 -0.35 0.00 -0.36 0.00 0.00 55.97 56.76 1xb9 s LYS 72 Cb 0.00 -3.53 -0.14 0.00 -1.51 0.00 0.00 37.83 32.65 1xb9 s LYS 72 CO 0.00 -0.34 1.65 2.41 -0.36 0.00 0.00 175.35 178.71 1xb9 n THR 73 N 4.50 0.20 -4.23 3.43 -1.04 -1.26 -0.62 114.28 115.26 1xb9 n THR 73 Ca 0.09 -0.04 -0.15 0.00 -2.04 0.00 0.00 64.05 61.91 1xb9 n THR 73 Cb 0.48 -1.51 -0.10 0.00 -1.82 0.00 0.00 70.33 67.37 1xb9 n THR 73 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 1xb9 s ILE 74 N 2.03 1.17 -0.04 12.58 1.10 -0.16 -4.92 121.20 132.95 1xb9 s ILE 74 Ca 0.85 -1.88 0.05 0.00 -0.51 0.00 0.00 60.65 59.17 1xb9 s ILE 74 Cb -0.75 -1.65 -0.01 0.00 0.15 0.00 0.00 42.46 40.19 1xb9 s ILE 74 CO 0.46 -0.62 -0.21 -0.54 -2.11 0.00 0.00 174.94 171.92 1xb9 s LYS 75 N -3.25 2.06 -0.03 3.50 1.02 -1.26 -1.46 119.74 120.32 1xb9 s LYS 75 Ca 0.12 -0.75 0.05 0.00 0.02 0.00 0.00 55.97 55.40 1xb9 s LYS 75 Cb -0.01 -1.81 -0.01 0.00 -0.52 0.00 0.00 37.83 35.49 1xb9 s LYS 75 CO 0.01 0.34 -0.16 0.96 -0.92 0.00 0.00 175.35 175.58 1xb9 s ILE 76 N -0.15 1.33 -0.27 2.17 -4.36 -0.16 -4.96 121.20 114.81 1xb9 s ILE 76 Ca -0.01 -0.69 -0.29 0.00 -0.26 0.00 0.00 60.65 59.40 1xb9 s ILE 76 Cb -0.12 -1.13 0.01 0.00 1.25 0.00 0.00 42.46 42.47 1xb9 s ILE 76 CO 0.02 0.38 1.14 0.00 0.24 0.00 0.00 174.94 176.73 1xb9 s ALA 77 N -0.14 3.55 0.01 2.27 0.00 -1.26 -1.05 121.76 125.13 1xb9 s ALA 77 Ca 0.01 0.12 -0.19 0.00 0.00 0.00 0.00 51.96 51.91 1xb9 s ALA 77 Cb -0.09 -3.65 -0.28 0.00 0.00 0.00 0.00 23.12 19.10 1xb9 s ALA 77 CO 0.01 -1.38 1.04 -0.07 0.00 0.00 0.00 175.76 175.36 1xb9 h LEU 78 N 10.02 0.64 -7.00 0.00 3.38 -1.11 -3.48 115.31 117.76 1xb9 h LEU 78 Ca -0.22 -0.84 0.01 0.00 0.09 0.00 0.00 57.88 56.92 1xb9 h LEU 78 Cb 1.07 -0.20 -0.23 0.00 0.09 0.00 0.00 40.66 41.39 1xb9 h LEU 78 CO 1.01 1.42 0.32 0.00 0.09 0.00 0.00 178.44 181.28 1xb9 s ALA 79 N -2.90 -1.88 -0.11 1.53 0.00 -1.20 -5.01 121.76 112.19 1xb9 s ALA 79 Ca -0.12 1.82 0.01 0.00 0.00 0.00 0.00 51.96 53.67 1xb9 s ALA 79 Cb 0.03 -1.07 -0.01 0.00 0.00 0.00 0.00 23.12 22.07 1xb9 s ALA 79 CO 0.87 -0.30 -0.15 -1.12 0.00 0.00 0.00 175.76 175.05 1xb9 s SER 80 N -0.08 3.83 0.02 0.00 0.01 -1.26 -2.05 113.70 114.18 1xb9 s SER 80 Ca -0.00 -0.35 -0.05 0.00 1.31 0.00 0.00 55.95 56.86 1xb9 s SER 80 Cb -0.04 -1.44 -0.01 0.00 0.21 0.00 0.00 66.02 64.74 1xb9 s SER 80 CO -0.01 0.19 0.08 -0.76 0.41 0.00 0.00 173.24 173.15 1xb9 s LEU 81 N 0.18 1.84 -0.19 2.44 1.02 -0.52 -4.96 118.68 118.49 1xb9 s LEU 81 Ca -0.09 -0.42 -0.13 0.00 0.02 0.00 0.00 54.13 53.51 1xb9 s LEU 81 Cb -0.15 0.49 0.06 0.00 0.02 0.00 0.00 46.19 46.61 1xb9 s LEU 81 CO 0.05 -0.41 0.48 -0.75 0.02 0.00 0.00 176.35 175.74 1xb9 s LYS 82 N -1.93 0.50 0.26 1.70 2.20 -0.87 -0.09 119.74 121.52 1xb9 s LYS 82 Ca -0.11 0.81 -0.02 0.00 -0.36 0.00 0.00 55.97 56.29 1xb9 s LYS 82 Cb -0.05 0.11 0.53 0.00 -1.51 0.00 0.00 37.83 36.91 1xb9 s LYS 82 CO -0.02 -0.12 1.72 -1.35 -0.36 0.00 0.00 175.35 175.22 1xb9 h PRO 83 N 6.49 0.42 -0.00 4.03 0.11 -1.81 0.19 132.00 141.42 1xb9 h PRO 83 Ca -0.32 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1xb9 h PRO 83 Cb 1.19 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1xb9 h PRO 83 CO 0.24 0.28 -0.12 -1.13 -0.21 0.00 0.00 178.00 177.06 1xb9 n SER 84 N -5.02 0.14 0.00 -2.05 3.41 -1.26 -4.33 113.62 104.51 1xb9 n SER 84 Ca 0.17 0.23 0.00 0.00 -0.26 0.00 0.00 58.87 59.00 1xb9 n SER 84 Cb 0.48 -0.29 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 1xb9 n SER 84 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1xb9 n VAL 85 N -1.45 0.00 -3.01 -3.33 0.31 -0.58 -5.01 118.33 105.25 1xb9 n VAL 85 Ca 0.08 0.00 -0.00 0.00 -0.01 0.00 0.00 64.34 64.41 1xb9 n VAL 85 Cb 0.33 -0.62 -0.00 0.00 -0.91 0.00 0.00 33.84 32.64 1xb9 n VAL 85 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 1xb9 s GLN 86 N -1.99 0.71 0.15 5.55 0.74 0.56 -4.97 119.66 120.41 1xb9 s GLN 86 Ca 0.00 -0.36 0.26 0.00 0.05 0.00 0.00 55.36 55.30 1xb9 s GLN 86 Cb 0.00 0.05 0.93 0.00 1.10 0.00 0.00 33.01 35.09 1xb9 s GLN 86 CO 0.00 -0.98 1.79 -0.35 -0.55 0.00 0.00 175.29 175.20 1xb9 n PRO 87 N 3.90 0.17 -4.29 1.67 -0.04 -1.20 -2.04 135.00 133.16 1xb9 n PRO 87 Ca 0.11 0.19 -0.18 0.00 -0.04 0.00 0.00 63.50 63.59 1xb9 n PRO 87 Cb 0.58 -1.72 -0.14 0.00 -0.04 0.00 0.00 33.50 32.19 1xb9 n PRO 87 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1xb9 s THR 88 N -3.10 0.72 -0.13 0.52 2.01 -1.26 -2.28 115.64 112.12 1xb9 s THR 88 Ca 0.10 -0.57 0.02 0.00 0.31 0.00 0.00 61.69 61.55 1xb9 s THR 88 Cb 0.13 -0.64 -0.00 0.00 0.01 0.00 0.00 72.50 72.01 1xb9 s THR 88 CO 0.53 0.07 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.64 1xb9 s VAL 89 N -0.47 2.37 -0.25 3.82 1.01 0.59 -4.99 120.40 122.47 1xb9 s VAL 89 Ca 0.01 -0.89 -0.18 0.00 0.00 0.00 0.00 61.98 60.92 1xb9 s VAL 89 Cb -0.05 -1.95 -0.03 0.00 0.00 0.00 0.00 36.38 34.35 1xb9 s VAL 89 CO 0.00 0.54 0.53 -0.55 0.00 0.00 0.00 175.10 175.62 1xb9 s SER 90 N 0.57 6.47 0.00 3.32 0.15 -1.26 -0.94 113.70 122.00 1xb9 s SER 90 Ca -0.12 0.56 0.26 0.00 0.70 0.00 0.00 55.95 57.36 1xb9 s SER 90 Cb -0.16 -2.29 0.68 0.00 -1.71 0.00 0.00 66.02 62.54 1xb9 s SER 90 CO 0.04 -0.28 1.52 0.18 1.20 0.00 0.00 173.24 175.89 1xb9 n LEU 91 N 5.46 0.99 -0.62 3.45 4.77 0.16 -4.97 117.00 126.24 1xb9 n LEU 91 Ca -0.04 -0.25 -0.08 0.00 -0.03 0.00 0.00 56.01 55.62 1xb9 n LEU 91 Cb 0.50 -0.13 -0.03 0.00 -2.33 0.00 0.00 43.42 41.42 1xb9 n LEU 91 CO 0.41 0.19 -0.08 0.61 -1.33 0.00 0.00 177.39 177.19 1xb9 n GLY 92 N 1.37 0.98 0.98 -0.72 0.00 -1.25 -3.98 105.19 102.58 1xb9 n GLY 92 Ca 0.11 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1xb9 n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xb9 n GLY 93 N -1.73 0.47 3.49 -0.02 0.00 -0.60 -5.02 105.19 101.79 1xb9 n GLY 93 Ca -0.08 -0.43 -0.43 0.00 0.00 0.00 0.00 46.02 45.09 1xb9 n GLY 93 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1xb9 s PHE 94 N -2.65 2.64 0.07 1.61 5.99 -0.56 -4.75 117.98 120.33 1xb9 s PHE 94 Ca 0.00 -0.30 -0.26 0.00 0.00 0.00 0.00 56.93 56.37 1xb9 s PHE 94 Cb 0.00 -4.29 -0.06 0.00 0.00 0.00 0.00 43.02 38.68 1xb9 s PHE 94 CO 0.00 -1.63 0.79 -1.21 -0.00 0.00 0.00 175.22 173.17 1xb9 s GLU 95 N 4.31 4.53 -0.03 10.12 2.02 -1.26 -1.24 118.70 137.15 1xb9 s GLU 95 Ca 0.27 1.13 0.03 0.00 0.02 0.00 0.00 54.97 56.41 1xb9 s GLU 95 Cb -0.14 -3.35 0.00 0.00 0.10 0.00 0.00 34.13 30.74 1xb9 s GLU 95 CO 0.14 0.30 -0.10 0.42 0.02 0.00 0.00 175.26 176.04 1xb9 s ILE 96 N -0.16 0.84 -0.13 -1.63 1.01 0.11 -4.99 121.20 116.26 1xb9 s ILE 96 Ca 0.39 -0.38 -0.19 0.00 0.00 0.00 0.00 60.65 60.47 1xb9 s ILE 96 Cb -0.21 -0.76 -0.04 0.00 0.01 0.00 0.00 42.46 41.47 1xb9 s ILE 96 CO 0.24 0.26 0.53 -0.89 0.00 0.00 0.00 174.94 175.08 1xb9 s THR 97 N 0.25 5.14 0.74 2.92 2.01 -1.26 -0.96 115.64 124.48 1xb9 s THR 97 Ca -0.04 1.04 -0.13 0.00 0.31 0.00 0.00 61.69 62.87 1xb9 s THR 97 Cb -0.10 -3.86 0.04 0.00 0.01 0.00 0.00 72.50 68.59 1xb9 s THR 97 CO 0.01 0.28 1.12 -2.16 -0.69 0.00 0.00 174.62 173.18 1xb9 s PRO 98 N 0.91 2.31 0.37 4.92 0.04 -1.26 -4.58 135.00 137.70 1xb9 s PRO 98 Ca 0.28 1.39 -0.25 0.00 0.04 0.00 0.00 61.00 62.45 1xb9 s PRO 98 Cb -0.16 -1.89 -0.09 0.00 0.04 0.00 0.00 34.50 32.41 1xb9 s PRO 98 CO 0.11 -1.64 1.06 -1.25 0.04 0.00 0.00 177.00 175.32 1xb9 s PRO 99 N -4.41 4.28 -0.09 0.56 0.05 -1.26 -4.51 135.00 129.63 1xb9 s PRO 99 Ca 0.66 1.57 -0.08 0.00 0.05 0.00 0.00 61.00 63.20 1xb9 s PRO 99 Cb -0.21 -2.70 0.02 0.00 0.05 0.00 0.00 34.50 31.67 1xb9 s PRO 99 CO 0.49 -0.05 0.23 0.08 0.05 0.00 0.00 177.00 177.80 1xb9 s VAL 100 N -1.54 -0.00 -0.16 -0.36 1.01 -1.26 -4.61 120.40 113.49 1xb9 s VAL 100 Ca 0.54 0.01 -0.06 0.00 0.00 0.00 0.00 61.98 62.47 1xb9 s VAL 100 Cb -0.24 -0.33 -0.04 0.00 0.00 0.00 0.00 36.38 35.77 1xb9 s VAL 100 CO 0.30 0.00 0.06 -0.63 0.00 0.00 0.00 175.10 174.84 1xb9 s ILE 101 N 0.19 4.82 -0.12 2.22 1.01 -0.20 -0.16 121.20 128.96 1xb9 s ILE 101 Ca -0.01 -0.03 -0.05 0.00 0.00 0.00 0.00 60.65 60.57 1xb9 s ILE 101 Cb -0.02 -3.14 -0.04 0.00 0.01 0.00 0.00 42.46 39.27 1xb9 s ILE 101 CO -0.00 0.51 0.05 -0.76 0.00 0.00 0.00 174.94 174.74 1xb9 s LEU 102 N -0.07 3.82 -0.05 2.97 1.43 0.23 0.71 118.68 127.73 1xb9 s LEU 102 Ca 0.07 0.19 -0.10 0.00 -1.03 0.00 0.00 54.13 53.26 1xb9 s LEU 102 Cb -0.12 -1.91 0.02 0.00 0.03 0.00 0.00 46.19 44.20 1xb9 s LEU 102 CO 0.01 0.33 0.23 -0.60 0.23 0.00 0.00 176.35 176.55 1xb9 s ARG 103 N -0.55 0.45 -0.87 1.70 3.52 0.04 -0.81 118.95 122.42 1xb9 s ARG 103 Ca 0.10 -0.01 -0.19 0.00 -0.13 0.00 0.00 55.73 55.51 1xb9 s ARG 103 Cb -0.12 0.20 0.12 0.00 -1.56 0.00 0.00 34.95 33.59 1xb9 s ARG 103 CO 0.02 -0.10 1.07 -1.17 -0.81 0.00 0.00 175.30 174.32 1xb9 s LEU 104 N -0.68 5.03 0.23 -0.88 1.98 -0.86 -0.02 118.68 123.49 1xb9 s LEU 104 Ca -0.08 -1.89 -0.07 0.00 -2.89 0.00 0.00 54.13 49.21 1xb9 s LEU 104 Cb -0.04 -2.39 0.21 0.00 0.66 0.00 0.00 46.19 44.63 1xb9 s LEU 104 CO 0.02 -1.10 1.86 0.50 -1.89 0.00 0.00 176.35 175.74 1xb9 h LYS 105 N 8.92 1.26 -3.65 1.98 3.64 -1.44 -3.46 116.57 123.82 1xb9 h LYS 105 Ca 0.07 -0.14 -0.07 0.00 -1.27 0.00 0.00 60.65 59.24 1xb9 h LYS 105 Cb 1.03 -0.25 -0.12 0.00 -0.41 0.00 0.00 32.23 32.48 1xb9 h LYS 105 CO 1.11 0.91 -0.20 -1.54 -2.27 0.00 0.00 179.45 177.45 1xb9 s SER 106 N -6.21 -0.06 0.00 4.20 1.04 -1.10 -4.95 113.70 106.62 1xb9 s SER 106 Ca -0.13 -0.65 0.00 0.00 0.48 0.00 0.00 55.95 55.65 1xb9 s SER 106 Cb 0.17 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.75 1xb9 s SER 106 CO 0.83 -0.90 0.00 0.61 0.98 0.00 0.00 173.24 174.76 1xb9 n GLY 107 N -0.22 -0.00 0.22 7.32 0.00 -1.25 -2.26 105.19 109.00 1xb9 n GLY 107 Ca -0.11 -1.72 -0.13 0.00 0.00 0.00 0.00 46.02 44.06 1xb9 n GLY 107 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1xb9 h SER 108 N 0.00 0.80 -3.23 1.61 4.64 -1.92 -3.40 113.55 112.05 1xb9 h SER 108 Ca 0.00 -0.47 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1xb9 h SER 108 Cb 0.00 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 61.87 1xb9 h SER 108 CO 0.00 1.10 0.00 0.61 -0.87 0.00 0.00 176.83 177.67 1xb9 n GLY 109 N 0.15 -1.92 3.77 -0.77 0.00 -1.26 -0.91 105.19 104.26 1xb9 n GLY 109 Ca -0.03 -1.38 -0.37 0.00 0.00 0.00 0.00 46.02 44.24 1xb9 n GLY 109 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xb9 s PRO 110 N 0.00 3.84 -0.08 1.61 0.04 -1.26 -4.01 135.00 135.14 1xb9 s PRO 110 Ca 0.00 1.74 0.04 0.00 0.04 0.00 0.00 61.00 62.82 1xb9 s PRO 110 Cb 0.00 -2.44 -0.01 0.00 0.04 0.00 0.00 34.50 32.09 1xb9 s PRO 110 CO 0.00 -0.48 -0.21 0.08 0.04 0.00 0.00 177.00 176.44 1xb9 s VAL 111 N -1.56 2.41 0.02 -0.36 1.01 0.61 -0.86 120.40 121.68 1xb9 s VAL 111 Ca 0.62 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 61.68 1xb9 s VAL 111 Cb -0.28 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.14 1xb9 s VAL 111 CO 0.34 0.56 0.08 -0.31 0.00 0.00 0.00 175.10 175.77 1xb9 s TYR 112 N -0.06 3.26 -0.02 5.22 1.51 0.15 0.10 117.35 127.50 1xb9 s TYR 112 Ca -0.05 0.17 0.08 0.00 -1.01 0.00 0.00 57.07 56.25 1xb9 s TYR 112 Cb -0.14 -1.70 -0.02 0.00 -0.11 0.00 0.00 41.96 39.98 1xb9 s TYR 112 CO 0.04 0.54 -0.25 0.08 -1.11 0.00 0.00 175.55 174.86 1xb9 s VAL 113 N -1.25 1.94 0.21 0.71 1.01 -0.30 -1.45 120.40 121.26 1xb9 s VAL 113 Ca 0.25 -1.05 0.06 0.00 0.00 0.00 0.00 61.98 61.25 1xb9 s VAL 113 Cb -0.12 -1.61 -0.05 0.00 0.00 0.00 0.00 36.38 34.60 1xb9 s VAL 113 CO 0.16 0.55 -0.11 -0.94 0.00 0.00 0.00 175.10 174.77 1xb9 s SER 114 N -0.56 2.39 0.00 3.32 1.04 0.82 -1.97 113.70 118.73 1xb9 s SER 114 Ca 0.09 -1.07 0.00 0.00 0.48 0.00 0.00 55.95 55.45 1xb9 s SER 114 Cb -0.10 -0.10 0.00 0.00 0.10 0.00 0.00 66.02 65.92 1xb9 s SER 114 CO -0.01 -0.27 0.00 0.61 0.98 0.00 0.00 173.24 174.56 1xb9 n GLY 115 N -0.39 -0.55 3.34 7.32 0.00 -0.51 -0.82 105.19 113.59 1xb9 n GLY 115 Ca -0.08 -0.80 -0.30 0.00 0.00 0.00 0.00 46.02 44.84 1xb9 n GLY 115 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xb9 s GLN 116 N -0.77 1.90 -0.37 1.61 -0.21 0.16 -1.41 119.66 120.56 1xb9 s GLN 116 Ca 0.00 -1.05 -0.07 0.00 0.02 0.00 0.00 55.36 54.26 1xb9 s GLN 116 Cb 0.00 -2.01 0.06 0.00 1.00 0.00 0.00 33.01 32.07 1xb9 s GLN 116 CO 0.00 0.53 0.17 -1.58 -2.12 0.00 0.00 175.29 172.28 1xb9 s HIS 117 N -0.76 3.33 -0.03 0.91 5.65 0.10 -0.62 115.29 123.88 1xb9 s HIS 117 Ca 0.11 -1.62 -0.02 0.00 0.25 0.00 0.00 55.06 53.78 1xb9 s HIS 117 Cb -0.10 -2.64 -0.04 0.00 -1.18 0.00 0.00 32.58 28.62 1xb9 s HIS 117 CO 0.01 -0.81 0.11 -0.51 -0.65 0.00 0.00 174.74 172.89 1xb9 s LEU 118 N 1.37 4.06 0.00 8.88 1.43 -0.12 -0.80 118.68 133.51 1xb9 s LEU 118 Ca 0.01 0.25 0.00 0.00 -1.03 0.00 0.00 54.13 53.36 1xb9 s LEU 118 Cb -0.21 -2.29 0.00 0.00 0.03 0.00 0.00 46.19 43.72 1xb9 s LEU 118 CO 0.01 0.30 0.02 0.52 0.23 0.00 0.00 176.35 177.44