#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 2.94 -0.13 -1.46 -0.21 0.72 -4.96 119.66 116.56 1xb9 s GLN 16 Ca 0.00 -0.61 -0.01 0.00 0.02 0.00 0.00 55.36 54.76 1xb9 s GLN 16 Cb 0.00 -2.77 0.03 0.00 1.00 0.00 0.00 33.01 31.27 1xb9 s GLN 16 CO 0.00 0.60 -0.05 1.21 -2.12 0.00 0.00 175.29 174.93 1xb9 s ASN 17 N -2.09 2.42 0.33 5.90 2.47 -1.26 -1.15 114.94 121.56 1xb9 s ASN 17 Ca 0.26 -0.45 0.08 0.00 0.42 0.00 0.00 52.86 53.17 1xb9 s ASN 17 Cb -0.12 -0.82 -0.06 0.00 -1.45 0.00 0.00 41.25 38.80 1xb9 s ASN 17 CO 0.18 -0.16 -0.08 -0.36 -3.72 0.00 0.00 177.10 172.96 1xb9 s PHE 18 N 1.71 2.28 0.28 0.43 0.40 0.02 -4.96 117.98 118.13 1xb9 s PHE 18 Ca 0.03 -0.57 -0.22 0.00 -0.60 0.00 0.00 56.93 55.56 1xb9 s PHE 18 Cb -0.14 -1.33 -0.09 0.00 0.51 0.00 0.00 43.02 41.97 1xb9 s PHE 18 CO -0.08 0.48 0.83 -0.51 0.70 0.00 0.00 175.22 176.64 1xb9 s LEU 19 N -3.57 4.31 0.06 -0.37 1.43 -1.26 -0.15 118.68 119.13 1xb9 s LEU 19 Ca 0.32 1.61 0.07 0.00 -1.03 0.00 0.00 54.13 55.10 1xb9 s LEU 19 Cb 0.03 -3.84 -0.03 0.00 0.03 0.00 0.00 46.19 42.39 1xb9 s LEU 19 CO 0.15 -0.04 -0.20 0.12 0.23 0.00 0.00 176.35 176.62 1xb9 s PHE 20 N -1.61 1.72 -0.12 0.29 5.36 0.15 -4.55 117.98 119.22 1xb9 s PHE 20 Ca 0.47 -0.38 -0.32 0.00 -0.96 0.00 0.00 56.93 55.74 1xb9 s PHE 20 Cb -0.17 -1.01 0.12 0.00 -0.34 0.00 0.00 43.02 41.63 1xb9 s PHE 20 CO 0.22 0.11 1.08 0.20 -1.46 0.00 0.00 175.22 175.37 1xb9 s GLY 21 N -1.34 -0.35 0.09 13.12 0.00 -1.26 -0.97 107.32 116.60 1xb9 s GLY 21 Ca 0.06 1.40 -0.15 0.00 0.00 0.00 0.00 44.72 46.04 1xb9 s GLY 21 CO 0.02 0.48 0.36 0.00 0.00 0.00 0.00 173.10 173.96 1xb9 s GLU 23 N -3.26 3.19 -0.05 0.00 2.12 -1.26 -1.03 118.70 118.42 1xb9 s GLU 23 Ca -0.00 -0.70 0.05 0.00 0.36 0.00 0.00 54.97 54.68 1xb9 s GLU 23 Cb 0.01 -2.56 -0.02 0.00 0.26 0.00 0.00 34.13 31.82 1xb9 s GLU 23 CO -0.08 0.29 -0.21 -0.51 -0.54 0.00 0.00 175.26 174.21 1xb9 s LEU 24 N 0.14 2.32 0.00 2.70 1.43 0.73 -4.88 118.68 121.12 1xb9 s LEU 24 Ca -0.07 -0.38 -0.08 0.00 -1.03 0.00 0.00 54.13 52.56 1xb9 s LEU 24 Cb -0.15 -1.44 0.03 0.00 0.03 0.00 0.00 46.19 44.67 1xb9 s LEU 24 CO 0.05 0.30 0.51 2.29 0.23 0.00 0.00 176.35 179.73 1xb9 n LYS 25 N 2.62 0.73 -0.35 1.70 2.85 -0.75 -0.39 118.16 124.56 1xb9 n LYS 25 Ca -0.17 -1.67 -0.08 0.00 -1.05 0.00 0.00 58.31 55.34 1xb9 n LYS 25 Cb 0.52 1.95 -0.05 0.00 -0.65 0.00 0.00 35.03 36.80 1xb9 n LYS 25 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1xb9 h ALA 26 N 1.97 -0.33 -0.70 0.58 0.00 -1.70 -2.25 119.26 116.82 1xb9 h ALA 26 Ca -0.23 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1xb9 h ALA 26 Cb 0.87 1.19 0.00 0.00 0.00 0.00 0.00 17.79 19.84 1xb9 h ALA 26 CO 0.29 -0.86 0.00 -0.40 0.00 0.00 0.00 179.25 178.29 1xb9 n ASP 27 N -5.35 3.97 -2.74 0.00 5.75 -1.26 -4.34 116.55 112.58 1xb9 n ASP 27 Ca 0.04 -2.09 -0.06 0.00 -0.01 0.00 0.00 54.79 52.67 1xb9 n ASP 27 Cb 0.32 -0.50 0.04 0.00 -1.03 0.00 0.00 41.12 39.95 1xb9 n ASP 27 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 1xb9 n LYS 28 N 1.49 0.59 0.24 0.11 3.00 -0.89 -5.04 118.16 117.67 1xb9 n LYS 28 Ca 0.24 -1.68 0.14 0.00 -0.00 0.00 0.00 58.31 57.01 1xb9 n LYS 28 Cb 0.65 -1.25 0.39 0.00 0.00 0.00 0.00 35.03 34.83 1xb9 n LYS 28 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 1xb9 h LYS 29 N 4.28 0.00 -6.80 1.64 1.57 -1.66 -2.00 116.57 113.60 1xb9 h LYS 29 Ca -0.08 0.00 -0.68 0.00 -1.87 0.00 0.00 60.65 58.03 1xb9 h LYS 29 Cb 1.08 0.00 -0.23 0.00 0.08 0.00 0.00 32.23 33.17 1xb9 h LYS 29 CO 0.14 0.04 -0.87 -1.21 -0.57 0.00 0.00 179.45 176.98 1xb9 s GLU 30 N -3.41 1.45 -0.10 3.15 2.02 -1.26 -0.63 118.70 119.92 1xb9 s GLU 30 Ca 0.04 -1.28 0.00 0.00 0.02 0.00 0.00 54.97 53.75 1xb9 s GLU 30 Cb 0.07 -1.86 0.02 0.00 0.10 0.00 0.00 34.13 32.46 1xb9 s GLU 30 CO 0.62 0.45 -0.08 -0.47 0.02 0.00 0.00 175.26 175.80 1xb9 s TYR 31 N -1.02 1.39 -0.39 1.61 5.04 0.42 -5.01 117.35 119.40 1xb9 s TYR 31 Ca 0.13 -0.63 -0.16 0.00 -2.44 0.00 0.00 57.07 53.97 1xb9 s TYR 31 Cb -0.10 -1.14 0.01 0.00 0.35 0.00 0.00 41.96 41.08 1xb9 s TYR 31 CO 0.05 -0.43 0.37 0.45 -1.34 0.00 0.00 175.55 174.65 1xb9 s SER 32 N 1.42 6.16 -0.53 4.32 0.15 -1.26 -1.26 113.70 122.71 1xb9 s SER 32 Ca -0.01 -0.60 -0.18 0.00 0.70 0.00 0.00 55.95 55.87 1xb9 s SER 32 Cb -0.13 -2.19 0.08 0.00 -1.71 0.00 0.00 66.02 62.06 1xb9 s SER 32 CO -0.05 -0.45 0.59 0.12 1.20 0.00 0.00 173.24 174.65 1xb9 s PHE 33 N 1.95 3.09 0.06 3.44 5.36 -0.02 -5.01 117.98 126.86 1xb9 s PHE 33 Ca 0.10 -0.79 0.09 0.00 -0.96 0.00 0.00 56.93 55.37 1xb9 s PHE 33 Cb -0.17 -3.62 -0.03 0.00 -0.34 0.00 0.00 43.02 38.86 1xb9 s PHE 33 CO 0.12 -1.06 -0.26 0.15 -1.46 0.00 0.00 175.22 172.72 1xb9 s LYS 34 N 2.37 1.76 0.21 10.12 1.02 -1.26 -1.98 119.74 131.99 1xb9 s LYS 34 Ca 0.11 -1.14 0.07 0.00 0.02 0.00 0.00 55.97 55.03 1xb9 s LYS 34 Cb -0.22 -1.99 -0.04 0.00 -0.52 0.00 0.00 37.83 35.06 1xb9 s LYS 34 CO 0.09 0.50 0.11 0.14 -0.92 0.00 0.00 175.35 175.27 1xb9 s VAL 35 N -0.86 4.16 -0.33 3.17 -7.23 -1.26 -5.09 120.40 112.96 1xb9 s VAL 35 Ca 0.12 -1.39 0.16 0.00 -1.81 0.00 0.00 61.98 59.06 1xb9 s VAL 35 Cb -0.10 -3.18 0.54 0.00 0.56 0.00 0.00 36.38 34.21 1xb9 s VAL 35 CO 0.03 -0.23 1.45 -0.62 -0.31 0.00 0.00 175.10 175.42 1xb9 n GLU 36 N -0.68 3.19 0.00 4.82 1.02 -1.26 -5.03 120.64 122.70 1xb9 n GLU 36 Ca -0.08 -2.78 0.00 0.00 -0.02 0.00 0.00 57.16 54.28 1xb9 n GLU 36 Cb 0.57 -1.82 0.00 0.00 -0.02 0.00 0.00 31.44 30.16 1xb9 n GLU 36 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1xb9 n ASP 38 N -0.17 0.00 -3.37 1.62 3.85 -1.26 -5.17 116.55 112.05 1xb9 n ASP 38 Ca 0.21 0.00 -0.24 0.00 -0.71 0.00 0.00 54.79 54.05 1xb9 n ASP 38 Cb 0.87 0.00 -0.10 0.00 -1.35 0.00 0.00 41.12 40.54 1xb9 n ASP 38 CO 0.00 0.00 0.00 -1.61 -1.01 0.00 0.00 177.20 174.58 1xb9 s GLU 39 N -0.30 0.71 0.15 0.11 0.41 -1.26 -5.07 118.70 113.46 1xb9 s GLU 39 Ca 0.00 -1.43 0.01 0.00 -0.41 0.00 0.00 54.97 53.14 1xb9 s GLU 39 Cb 0.00 -1.11 -0.04 0.00 -1.78 0.00 0.00 34.13 31.19 1xb9 s GLU 39 CO 0.00 -1.27 -0.01 -0.80 -0.49 0.00 0.00 175.26 172.69 1xb9 s ASN 40 N 0.84 1.10 0.23 -0.19 -0.87 -1.26 -5.11 114.94 109.68 1xb9 s ASN 40 Ca 0.23 -1.13 -0.15 0.00 -1.57 0.00 0.00 52.86 50.24 1xb9 s ASN 40 Cb -0.12 0.13 -0.08 0.00 -0.02 0.00 0.00 41.25 41.17 1xb9 s ASN 40 CO -0.07 -0.56 0.64 -0.70 -2.57 0.00 0.00 177.10 173.85 1xb9 s GLU 41 N -3.91 4.01 -0.03 -0.60 2.12 -1.26 -4.89 118.70 114.14 1xb9 s GLU 41 Ca 0.21 0.58 0.04 0.00 0.36 0.00 0.00 54.97 56.16 1xb9 s GLU 41 Cb 0.06 -2.72 -0.00 0.00 0.26 0.00 0.00 34.13 31.72 1xb9 s GLU 41 CO 0.01 0.34 -0.15 -1.01 -0.54 0.00 0.00 175.26 173.91 1xb9 s HIS 42 N -1.69 1.51 -0.11 5.30 3.76 -1.26 -1.15 115.29 121.65 1xb9 s HIS 42 Ca 0.45 -0.39 -0.05 0.00 -0.15 0.00 0.00 55.06 54.92 1xb9 s HIS 42 Cb -0.13 -1.01 0.05 0.00 1.11 0.00 0.00 32.58 32.59 1xb9 s HIS 42 CO 0.20 -0.12 0.24 -0.65 -0.85 0.00 0.00 174.74 173.56 1xb9 s GLN 43 N -0.02 0.19 0.00 1.40 -0.21 -0.82 -4.47 119.66 115.74 1xb9 s GLN 43 Ca -0.02 0.55 -0.19 0.00 0.02 0.00 0.00 55.36 55.73 1xb9 s GLN 43 Cb -0.10 -0.12 -0.06 0.00 1.00 0.00 0.00 33.01 33.74 1xb9 s GLN 43 CO 0.01 -0.18 0.53 -1.17 -2.12 0.00 0.00 175.29 172.36 1xb9 s LEU 44 N 1.42 4.44 -0.27 2.90 2.96 -0.13 -0.55 118.68 129.46 1xb9 s LEU 44 Ca -0.08 1.10 0.03 0.00 -0.22 0.00 0.00 54.13 54.96 1xb9 s LEU 44 Cb -0.11 -2.81 0.06 0.00 0.50 0.00 0.00 46.19 43.84 1xb9 s LEU 44 CO -0.08 0.18 -0.10 -0.55 -1.32 0.00 0.00 176.35 174.48 1xb9 s SER 45 N -0.50 4.46 0.09 3.68 0.15 0.63 -0.52 113.70 121.69 1xb9 s SER 45 Ca 0.28 -1.46 -0.30 0.00 0.70 0.00 0.00 55.95 55.17 1xb9 s SER 45 Cb -0.18 -1.55 -0.05 0.00 -1.71 0.00 0.00 66.02 62.53 1xb9 s SER 45 CO 0.16 -0.21 1.01 -0.76 1.20 0.00 0.00 173.24 174.65 1xb9 s LEU 46 N 1.09 4.46 -0.11 3.45 1.43 -0.48 -0.32 118.68 128.20 1xb9 s LEU 46 Ca -0.07 1.84 -0.08 0.00 -1.03 0.00 0.00 54.13 54.78 1xb9 s LEU 46 Cb -0.20 -3.59 -0.05 0.00 0.03 0.00 0.00 46.19 42.39 1xb9 s LEU 46 CO -0.05 -0.18 -0.19 0.54 0.23 0.00 0.00 176.35 176.70 1xb9 n ARG 47 N 3.08 0.30 -4.02 1.70 5.12 0.51 -0.98 116.66 122.37 1xb9 n ARG 47 Ca 0.04 0.13 -0.09 0.00 -1.93 0.00 0.00 57.85 55.99 1xb9 n ARG 47 Cb 0.49 -1.01 -0.11 0.00 -1.16 0.00 0.00 32.46 30.67 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 -2.37 0.22 -0.12 0.55 -4.23 -1.01 -0.10 115.64 108.59 1xb9 s THR 48 Ca -0.18 -1.18 0.03 0.00 -1.18 0.00 0.00 61.69 59.17 1xb9 s THR 48 Cb 0.05 -0.65 0.01 0.00 1.34 0.00 0.00 72.50 73.25 1xb9 s THR 48 CO 0.25 -0.61 -0.20 -0.69 -0.54 0.00 0.00 174.62 172.82 1xb9 s VAL 49 N -2.10 1.84 0.05 2.29 1.01 -0.48 -1.43 120.40 121.59 1xb9 s VAL 49 Ca -0.09 -0.86 -0.09 0.00 0.00 0.00 0.00 61.98 60.94 1xb9 s VAL 49 Cb -0.05 -1.63 0.00 0.00 0.00 0.00 0.00 36.38 34.70 1xb9 s VAL 49 CO -0.03 0.51 0.19 -0.94 0.00 0.00 0.00 175.10 174.83 1xb9 s SER 50 N 0.72 0.07 -0.07 3.32 1.04 -0.24 -0.57 113.70 117.97 1xb9 s SER 50 Ca -0.11 -0.45 -0.11 0.00 0.48 0.00 0.00 55.95 55.76 1xb9 s SER 50 Cb -0.16 0.30 -0.05 0.00 0.10 0.00 0.00 66.02 66.21 1xb9 s SER 50 CO 0.02 -0.60 0.28 -0.76 0.98 0.00 0.00 173.24 173.16 1xb9 s LEU 51 N -2.28 4.42 0.69 2.42 1.43 -0.02 -0.40 118.68 124.93 1xb9 s LEU 51 Ca -0.03 0.71 -0.10 0.00 -1.03 0.00 0.00 54.13 53.69 1xb9 s LEU 51 Cb 0.00 -2.34 0.02 0.00 0.03 0.00 0.00 46.19 43.90 1xb9 s LEU 51 CO -0.06 0.34 1.05 -0.83 0.23 0.00 0.00 176.35 177.09 1xb9 s GLY 52 N -0.93 1.62 0.56 -3.19 0.00 -0.53 -4.94 107.32 99.90 1xb9 s GLY 52 Ca 0.19 -0.48 0.23 0.00 0.00 0.00 0.00 44.72 44.67 1xb9 s GLY 52 CO 0.08 -0.12 2.18 0.00 0.00 0.00 0.00 173.10 175.25 1xb9 h ALA 53 N -0.57 1.82 -0.02 3.20 0.00 -1.97 -2.26 119.26 119.46 1xb9 h ALA 53 Ca -0.45 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1xb9 h ALA 53 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1xb9 h ALA 53 CO 0.63 -0.06 -0.08 -1.13 0.00 0.00 0.00 179.25 178.61 1xb9 n SER 54 N -4.18 1.75 -4.77 0.00 3.41 -1.26 -4.92 113.62 103.64 1xb9 n SER 54 Ca -0.02 -1.49 -0.41 0.00 -0.26 0.00 0.00 58.87 56.70 1xb9 n SER 54 Cb 0.13 0.06 -0.00 0.00 -0.26 0.00 0.00 64.21 64.14 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 -2.13 3.47 0.51 7.33 0.00 -0.85 -4.82 121.76 125.27 1xb9 s ALA 55 Ca 0.32 1.46 -0.20 0.00 0.00 0.00 0.00 51.96 53.54 1xb9 s ALA 55 Cb 0.20 -3.57 -0.07 0.00 0.00 0.00 0.00 23.12 19.68 1xb9 s ALA 55 CO 0.38 -0.97 1.07 0.15 0.00 0.00 0.00 175.76 176.39 1xb9 s LYS 56 N -2.11 3.64 -1.08 0.00 1.02 -1.26 -4.86 119.74 115.09 1xb9 s LYS 56 Ca 0.54 1.45 -0.23 0.00 0.02 0.00 0.00 55.97 57.75 1xb9 s LYS 56 Cb -0.44 -2.06 -0.02 0.00 -0.52 0.00 0.00 37.83 34.79 1xb9 s LYS 56 CO 0.59 -0.58 1.81 0.34 -0.92 0.00 0.00 175.35 176.59 1xb9 s ASP 57 N -1.92 5.65 0.04 2.83 2.15 -1.26 -4.69 116.67 119.47 1xb9 s ASP 57 Ca 0.69 -1.43 -0.27 0.00 0.43 0.00 0.00 52.55 51.98 1xb9 s ASP 57 Cb -0.19 -2.57 0.08 0.00 -0.30 0.00 0.00 42.92 39.94 1xb9 s ASP 57 CO 0.23 -2.35 0.72 -1.83 -0.17 0.00 0.00 175.17 171.76 1xb9 s GLU 58 N 5.99 1.06 0.10 4.34 -1.05 -1.26 -4.97 118.70 122.92 1xb9 s GLU 58 Ca 0.62 -0.20 -0.31 0.00 -0.15 0.00 0.00 54.97 54.93 1xb9 s GLU 58 Cb -0.02 0.49 -0.08 0.00 -0.44 0.00 0.00 34.13 34.09 1xb9 s GLU 58 CO 0.03 -0.43 1.44 -1.17 0.95 0.00 0.00 175.26 176.09 1xb9 s LEU 59 N -2.17 4.36 -0.14 1.83 0.20 -1.26 -4.39 118.68 117.11 1xb9 s LEU 59 Ca -0.01 2.35 -0.04 0.00 0.69 0.00 0.00 54.13 57.12 1xb9 s LEU 59 Cb -0.01 -3.58 -0.03 0.00 -0.43 0.00 0.00 46.19 42.14 1xb9 s LEU 59 CO -0.05 -0.71 0.00 -1.00 -0.29 0.00 0.00 176.35 174.30 1xb9 s HIS 60 N 1.43 3.13 -0.11 5.38 3.76 0.16 -4.00 115.29 125.04 1xb9 s HIS 60 Ca 0.66 -0.03 0.03 0.00 -0.15 0.00 0.00 55.06 55.58 1xb9 s HIS 60 Cb -0.37 -1.93 0.01 0.00 1.11 0.00 0.00 32.58 31.39 1xb9 s HIS 60 CO 0.30 0.19 -0.21 0.08 -0.85 0.00 0.00 174.74 174.25 1xb9 s VAL 61 N -0.08 1.94 -0.12 -0.90 1.01 -0.89 -1.09 120.40 120.26 1xb9 s VAL 61 Ca 0.04 -0.93 -0.02 0.00 0.00 0.00 0.00 61.98 61.07 1xb9 s VAL 61 Cb -0.13 -1.70 -0.03 0.00 0.00 0.00 0.00 36.38 34.53 1xb9 s VAL 61 CO 0.02 0.53 -0.05 -0.69 0.00 0.00 0.00 175.10 174.90 1xb9 s VAL 62 N 0.62 3.77 0.32 2.92 1.01 -0.61 -0.23 120.40 128.18 1xb9 s VAL 62 Ca -0.13 -0.42 0.06 0.00 0.00 0.00 0.00 61.98 61.49 1xb9 s VAL 62 Cb -0.17 -2.61 -0.06 0.00 0.00 0.00 0.00 36.38 33.54 1xb9 s VAL 62 CO 0.03 0.53 -0.01 -1.83 0.00 0.00 0.00 175.10 173.82 1xb9 s GLU 63 N -0.03 1.66 0.03 2.72 -1.05 -0.01 0.10 118.70 122.12 1xb9 s GLU 63 Ca 0.01 -1.89 0.07 0.00 -0.15 0.00 0.00 54.97 53.01 1xb9 s GLU 63 Cb -0.13 -1.17 -0.02 0.00 -0.44 0.00 0.00 34.13 32.37 1xb9 s GLU 63 CO 0.03 -0.04 -0.19 0.00 0.95 0.00 0.00 175.26 176.00 1xb9 s ALA 64 N -3.03 1.62 -0.08 -0.84 0.00 -0.33 -0.98 121.76 118.12 1xb9 s ALA 64 Ca 0.33 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 51.33 1xb9 s ALA 64 Cb 0.06 -0.33 0.02 0.00 0.00 0.00 0.00 23.12 22.87 1xb9 s ALA 64 CO 0.14 0.37 -0.07 -2.00 0.00 0.00 0.00 175.76 174.20 1xb9 s GLU 65 N -0.99 1.32 0.01 0.00 2.12 0.91 -0.90 118.70 121.17 1xb9 s GLU 65 Ca 0.07 -0.21 -0.11 0.00 0.36 0.00 0.00 54.97 55.07 1xb9 s GLU 65 Cb -0.08 -1.33 0.04 0.00 0.26 0.00 0.00 34.13 33.01 1xb9 s GLU 65 CO 0.01 -0.17 0.52 0.41 -0.54 0.00 0.00 175.26 175.49 1xb9 n GLY 66 N 4.56 0.57 3.80 -1.50 0.00 -0.76 -1.46 105.19 110.40 1xb9 n GLY 66 Ca -0.16 -0.94 -0.37 0.00 0.00 0.00 0.00 46.02 44.55 1xb9 n GLY 66 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1xb9 s ILE 67 N -2.15 4.50 0.67 -0.61 -4.36 -1.26 -1.23 121.20 116.76 1xb9 s ILE 67 Ca 0.12 1.43 -0.03 0.00 -0.26 0.00 0.00 60.65 61.91 1xb9 s ILE 67 Cb -0.01 -3.94 0.14 0.00 1.25 0.00 0.00 42.46 39.91 1xb9 s ILE 67 CO 0.00 0.29 0.92 -0.46 0.24 0.00 0.00 174.94 175.93 1xb9 n ASN 68 N 0.95 0.93 0.00 4.36 6.94 -0.33 -4.92 115.26 123.18 1xb9 n ASN 68 Ca -0.03 -1.86 0.12 0.00 -0.02 0.00 0.00 54.58 52.79 1xb9 n ASN 68 Cb 0.50 -0.63 0.59 0.00 -2.36 0.00 0.00 39.78 37.89 1xb9 n ASN 68 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1xb9 n TYR 69 N -2.85 0.00 -1.00 -2.53 0.18 -1.26 -1.38 117.16 108.31 1xb9 n TYR 69 Ca 0.14 0.00 0.05 0.00 1.88 0.00 0.00 57.90 59.97 1xb9 n TYR 69 Cb 0.51 -0.35 0.32 0.00 -0.38 0.00 0.00 39.34 39.43 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 -1.35 3.78 -1.18 -3.48 1.02 -1.26 -4.94 120.64 113.22 1xb9 n GLU 70 Ca 0.10 -3.04 -0.06 0.00 -0.02 0.00 0.00 57.16 54.14 1xb9 n GLU 70 Cb 0.23 -2.08 -0.03 0.00 -0.02 0.00 0.00 31.44 29.54 1xb9 n GLU 70 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xb9 n GLY 71 N -0.05 0.64 3.72 0.62 0.00 -0.48 -4.99 105.19 104.64 1xb9 n GLY 71 Ca 0.28 -0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.40 4.62 -0.32 1.61 2.20 -1.26 -4.76 119.74 119.43 1xb9 s LYS 72 Ca 0.00 1.48 -0.29 0.00 -0.36 0.00 0.00 55.97 56.80 1xb9 s LYS 72 Cb 0.00 -3.40 0.01 0.00 -1.51 0.00 0.00 37.83 32.93 1xb9 s LYS 72 CO 0.00 0.07 1.18 0.99 -0.36 0.00 0.00 175.35 177.23 1xb9 s THR 73 N 0.45 4.32 0.21 3.43 2.01 -1.26 -1.19 115.64 123.62 1xb9 s THR 73 Ca 0.50 1.51 0.10 0.00 0.31 0.00 0.00 61.69 64.10 1xb9 s THR 73 Cb -0.23 -4.31 -0.05 0.00 0.01 0.00 0.00 72.50 67.92 1xb9 s THR 73 CO 0.29 -0.51 -0.18 0.27 -0.69 0.00 0.00 174.62 173.81 1xb9 s ILE 74 N 4.01 2.04 -0.12 1.82 -4.36 -0.36 -4.96 121.20 119.26 1xb9 s ILE 74 Ca 0.50 -2.17 0.03 0.00 -0.26 0.00 0.00 60.65 58.76 1xb9 s ILE 74 Cb -0.14 -2.07 0.00 0.00 1.25 0.00 0.00 42.46 41.50 1xb9 s ILE 74 CO 0.20 -0.41 -0.22 -0.54 0.24 0.00 0.00 174.94 174.21 1xb9 s LYS 75 N -3.26 3.08 0.04 0.37 1.02 -1.26 -1.82 119.74 117.91 1xb9 s LYS 75 Ca 0.23 -0.84 0.08 0.00 0.02 0.00 0.00 55.97 55.45 1xb9 s LYS 75 Cb -0.04 -2.40 -0.03 0.00 -0.52 0.00 0.00 37.83 34.84 1xb9 s LYS 75 CO 0.09 0.10 -0.22 0.96 -0.92 0.00 0.00 175.35 175.36 1xb9 s ILE 76 N 0.55 1.80 -0.37 2.17 -4.36 -0.08 -4.98 121.20 115.92 1xb9 s ILE 76 Ca -0.13 -1.24 -0.24 0.00 -0.26 0.00 0.00 60.65 58.78 1xb9 s ILE 76 Cb -0.17 -1.55 0.01 0.00 1.25 0.00 0.00 42.46 42.00 1xb9 s ILE 76 CO 0.04 0.26 0.82 0.00 0.24 0.00 0.00 174.94 176.30 1xb9 s ALA 77 N -0.79 3.41 -0.03 2.27 0.00 -1.26 -1.18 121.76 124.17 1xb9 s ALA 77 Ca 0.09 -0.64 -0.26 0.00 0.00 0.00 0.00 51.96 51.15 1xb9 s ALA 77 Cb -0.09 -3.41 -0.20 0.00 0.00 0.00 0.00 23.12 19.41 1xb9 s ALA 77 CO 0.02 -1.55 1.19 -0.07 0.00 0.00 0.00 175.76 175.35 1xb9 h LEU 78 N 9.86 -0.03 -7.01 0.00 3.38 -0.66 -3.48 115.31 117.35 1xb9 h LEU 78 Ca -0.24 -0.50 -0.04 0.00 0.09 0.00 0.00 57.88 57.18 1xb9 h LEU 78 Cb 1.09 0.01 -0.21 0.00 0.09 0.00 0.00 40.66 41.64 1xb9 h LEU 78 CO 0.93 0.50 0.12 0.00 0.09 0.00 0.00 178.44 180.07 1xb9 s ALA 79 N -4.07 -1.75 -0.19 1.53 0.00 -1.16 -5.02 121.76 111.10 1xb9 s ALA 79 Ca -0.16 1.98 -0.06 0.00 0.00 0.00 0.00 51.96 53.72 1xb9 s ALA 79 Cb 0.01 -1.13 -0.03 0.00 0.00 0.00 0.00 23.12 21.97 1xb9 s ALA 79 CO 0.65 -0.33 0.03 -1.12 0.00 0.00 0.00 175.76 174.99 1xb9 s SER 80 N 0.34 5.24 0.06 0.00 0.01 -1.26 -1.58 113.70 116.51 1xb9 s SER 80 Ca -0.00 -0.06 0.02 0.00 1.31 0.00 0.00 55.95 57.22 1xb9 s SER 80 Cb -0.05 -1.90 -0.03 0.00 0.21 0.00 0.00 66.02 64.26 1xb9 s SER 80 CO 0.01 0.12 -0.08 -0.76 0.41 0.00 0.00 173.24 172.94 1xb9 s LEU 81 N 0.69 2.31 -0.12 2.44 1.02 -0.25 -4.94 118.68 119.83 1xb9 s LEU 81 Ca 0.02 -0.64 -0.07 0.00 0.02 0.00 0.00 54.13 53.46 1xb9 s LEU 81 Cb -0.14 -0.19 0.05 0.00 0.02 0.00 0.00 46.19 45.93 1xb9 s LEU 81 CO 0.02 -0.24 0.29 -0.75 0.02 0.00 0.00 176.35 175.69 1xb9 s LYS 82 N -2.02 0.26 0.47 1.70 2.20 -1.02 0.39 119.74 121.73 1xb9 s LYS 82 Ca -0.05 0.58 0.26 0.00 -0.36 0.00 0.00 55.97 56.40 1xb9 s LYS 82 Cb -0.07 -0.08 1.30 0.00 -1.51 0.00 0.00 37.83 37.47 1xb9 s LYS 82 CO -0.00 -0.15 1.83 -1.35 -0.36 0.00 0.00 175.35 175.32 1xb9 h PRO 83 N 7.08 0.19 -0.02 4.03 0.11 -1.82 0.40 132.00 141.97 1xb9 h PRO 83 Ca -0.39 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1xb9 h PRO 83 Cb 1.17 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1xb9 h PRO 83 CO 0.35 0.13 -0.29 -1.13 -0.21 0.00 0.00 178.00 176.85 1xb9 n SER 84 N -4.40 2.34 -0.02 -2.05 3.41 -1.26 -4.33 113.62 107.30 1xb9 n SER 84 Ca 0.22 -1.67 -0.04 0.00 -0.26 0.00 0.00 58.87 57.12 1xb9 n SER 84 Cb 0.93 0.30 -0.02 0.00 -0.26 0.00 0.00 64.21 65.17 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 0.46 0.23 -2.78 -3.33 0.31 -0.77 -5.02 118.33 107.43 1xb9 n VAL 85 Ca 0.11 -0.07 -0.02 0.00 -0.01 0.00 0.00 64.34 64.34 1xb9 n VAL 85 Cb 0.50 -1.09 0.02 0.00 -0.91 0.00 0.00 33.84 32.36 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 -2.08 0.55 0.27 5.55 0.74 0.06 -4.98 119.66 119.77 1xb9 s GLN 86 Ca -0.06 -0.46 0.25 0.00 0.05 0.00 0.00 55.36 55.15 1xb9 s GLN 86 Cb 0.02 -0.00 0.87 0.00 1.10 0.00 0.00 33.01 35.00 1xb9 s GLN 86 CO 0.08 -0.70 1.75 -1.00 -0.55 0.00 0.00 175.29 174.88 1xb9 h PRO 87 N 4.96 0.00 -3.81 1.67 0.13 -1.74 -2.69 132.00 130.52 1xb9 h PRO 87 Ca 0.02 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.91 1xb9 h PRO 87 Cb 1.16 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.01 1xb9 h PRO 87 CO -0.04 0.00 -0.72 0.99 -0.23 0.00 0.00 178.00 177.99 1xb9 s THR 88 N -3.22 0.06 -0.03 1.56 2.01 -1.26 -0.84 115.64 113.92 1xb9 s THR 88 Ca 0.07 -0.05 0.04 0.00 0.31 0.00 0.00 61.69 62.07 1xb9 s THR 88 Cb 0.10 -0.06 -0.01 0.00 0.01 0.00 0.00 72.50 72.55 1xb9 s THR 88 CO 0.53 0.00 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.62 1xb9 s VAL 89 N -0.05 1.23 -0.23 3.82 1.01 0.26 -5.01 120.40 121.44 1xb9 s VAL 89 Ca -0.00 -0.63 -0.09 0.00 0.00 0.00 0.00 61.98 61.26 1xb9 s VAL 89 Cb -0.00 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 35.29 1xb9 s VAL 89 CO -0.00 0.35 0.12 -0.55 0.00 0.00 0.00 175.10 175.02 1xb9 s SER 90 N -0.12 5.81 0.40 3.32 0.15 -1.26 -1.38 113.70 120.63 1xb9 s SER 90 Ca 0.01 0.05 0.24 0.00 0.70 0.00 0.00 55.95 56.94 1xb9 s SER 90 Cb -0.08 -2.03 0.42 0.00 -1.71 0.00 0.00 66.02 62.62 1xb9 s SER 90 CO 0.01 0.08 1.64 -0.07 1.20 0.00 0.00 173.24 176.10 1xb9 h LEU 91 N 7.41 0.00 0.29 3.45 3.38 -0.77 -3.49 115.31 125.59 1xb9 h LEU 91 Ca -0.38 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.48 1xb9 h LEU 91 Cb 1.17 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.88 1xb9 h LEU 91 CO 0.65 0.00 -0.11 0.61 0.09 0.00 0.00 178.44 179.69 1xb9 n GLY 92 N 1.13 0.77 0.44 0.83 0.00 -1.23 -4.00 105.19 103.14 1xb9 n GLY 92 Ca 0.04 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.24 0.81 3.60 -0.02 0.00 -0.15 -5.02 105.19 102.17 1xb9 n GLY 93 Ca -0.06 -0.53 -0.43 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.16 2.50 -0.09 1.61 5.99 -0.18 -4.73 117.98 120.92 1xb9 s PHE 94 Ca 0.00 0.64 -0.18 0.00 0.00 0.00 0.00 56.93 57.39 1xb9 s PHE 94 Cb 0.00 -4.37 -0.05 0.00 0.00 0.00 0.00 43.02 38.60 1xb9 s PHE 94 CO 0.00 -1.78 0.47 -1.21 -0.00 0.00 0.00 175.22 172.70 1xb9 s GLU 95 N 4.91 4.27 -0.02 10.12 2.02 -1.26 -1.38 118.70 137.36 1xb9 s GLU 95 Ca 0.56 0.46 0.02 0.00 0.02 0.00 0.00 54.97 56.03 1xb9 s GLU 95 Cb -0.11 -3.39 0.01 0.00 0.10 0.00 0.00 34.13 30.73 1xb9 s GLU 95 CO 0.31 0.27 -0.07 0.42 0.02 0.00 0.00 175.26 176.21 1xb9 s ILE 96 N 0.27 0.62 -0.23 -1.63 1.01 0.32 -4.99 121.20 116.56 1xb9 s ILE 96 Ca 0.26 -0.26 -0.20 0.00 0.00 0.00 0.00 60.65 60.44 1xb9 s ILE 96 Cb -0.16 -0.56 -0.02 0.00 0.01 0.00 0.00 42.46 41.73 1xb9 s ILE 96 CO 0.11 0.20 0.62 -0.89 0.00 0.00 0.00 174.94 174.98 1xb9 s THR 97 N 0.27 5.01 1.03 2.92 2.01 -1.26 -0.95 115.64 124.67 1xb9 s THR 97 Ca -0.04 1.13 -0.11 0.00 0.31 0.00 0.00 61.69 62.98 1xb9 s THR 97 Cb -0.08 -3.93 0.21 0.00 0.01 0.00 0.00 72.50 68.71 1xb9 s THR 97 CO 0.00 0.07 1.07 -0.81 -0.69 0.00 0.00 174.62 174.26 1xb9 n PRO 98 N 5.40 -1.35 -1.79 4.92 -0.04 -1.26 -4.48 135.00 136.39 1xb9 n PRO 98 Ca -0.01 -0.34 -0.33 0.00 -0.04 0.00 0.00 63.50 62.77 1xb9 n PRO 98 Cb 0.49 -2.27 0.04 0.00 -0.04 0.00 0.00 33.50 31.73 1xb9 n PRO 98 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1xb9 s PRO 99 N -4.50 2.83 -0.05 0.54 0.04 -1.26 -5.01 135.00 127.58 1xb9 s PRO 99 Ca 0.67 1.42 -0.19 0.00 0.04 0.00 0.00 61.00 62.94 1xb9 s PRO 99 Cb -0.24 -1.95 0.04 0.00 0.04 0.00 0.00 34.50 32.39 1xb9 s PRO 99 CO 0.61 -1.23 0.43 0.54 0.04 0.00 0.00 177.00 177.39 1xb9 s VAL 100 N -2.28 0.03 -0.12 -0.36 0.11 -0.84 -4.71 120.40 112.24 1xb9 s VAL 100 Ca 0.68 -0.27 -0.02 0.00 -2.93 0.00 0.00 61.98 59.44 1xb9 s VAL 100 Cb -0.21 -0.71 -0.03 0.00 -1.53 0.00 0.00 36.38 33.90 1xb9 s VAL 100 CO 0.40 -0.15 -0.05 -0.63 -3.33 0.00 0.00 175.10 171.34 1xb9 s ILE 101 N -1.00 3.81 -0.13 7.04 1.01 -0.54 -0.84 121.20 130.56 1xb9 s ILE 101 Ca -0.10 -0.41 -0.02 0.00 0.00 0.00 0.00 60.65 60.11 1xb9 s ILE 101 Cb -0.04 -2.62 -0.03 0.00 0.01 0.00 0.00 42.46 39.79 1xb9 s ILE 101 CO 0.05 0.54 -0.05 -0.76 0.00 0.00 0.00 174.94 174.73 1xb9 s LEU 102 N -0.17 3.23 -0.01 2.97 1.43 -0.39 -0.06 118.68 125.67 1xb9 s LEU 102 Ca 0.03 -0.10 0.01 0.00 -1.03 0.00 0.00 54.13 53.04 1xb9 s LEU 102 Cb -0.13 -1.76 0.01 0.00 0.03 0.00 0.00 46.19 44.35 1xb9 s LEU 102 CO 0.03 0.23 -0.01 -0.60 0.23 0.00 0.00 176.35 176.22 1xb9 s ARG 103 N 0.02 0.21 -0.79 1.70 3.52 -0.15 -0.43 118.95 123.02 1xb9 s ARG 103 Ca 0.00 0.01 -0.24 0.00 -0.13 0.00 0.00 55.73 55.37 1xb9 s ARG 103 Cb -0.13 -0.31 0.05 0.00 -1.56 0.00 0.00 34.95 33.01 1xb9 s ARG 103 CO 0.03 -0.05 1.22 -1.17 -0.81 0.00 0.00 175.30 174.51 1xb9 s LEU 104 N 0.50 3.74 0.16 -0.88 0.20 0.20 -0.83 118.68 121.76 1xb9 s LEU 104 Ca -0.05 -0.96 -0.02 0.00 0.69 0.00 0.00 54.13 53.79 1xb9 s LEU 104 Cb -0.07 -2.51 0.01 0.00 -0.43 0.00 0.00 46.19 43.19 1xb9 s LEU 104 CO -0.01 -1.59 1.39 0.50 -0.29 0.00 0.00 176.35 176.35 1xb9 h LYS 105 N 9.74 0.41 -3.63 1.98 3.64 -0.93 -3.45 116.57 124.33 1xb9 h LYS 105 Ca -0.14 -0.36 -0.07 0.00 -1.27 0.00 0.00 60.65 58.80 1xb9 h LYS 105 Cb 1.04 0.08 -0.13 0.00 -0.41 0.00 0.00 32.23 32.82 1xb9 h LYS 105 CO 1.27 1.01 -0.23 -1.54 -2.27 0.00 0.00 179.45 177.69 1xb9 s SER 106 N -7.00 -0.05 0.00 4.20 1.04 -1.16 -4.95 113.70 105.79 1xb9 s SER 106 Ca -0.06 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 55.84 1xb9 s SER 106 Cb 0.10 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.63 1xb9 s SER 106 CO 0.85 -0.81 0.00 0.61 0.98 0.00 0.00 173.24 174.87 1xb9 n GLY 107 N -0.15 1.65 0.11 7.32 0.00 -1.26 -2.09 105.19 110.77 1xb9 n GLY 107 Ca -0.14 -1.89 -0.01 0.00 0.00 0.00 0.00 46.02 43.98 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 0.00 -3.36 1.61 4.64 -1.89 -3.43 113.55 111.13 1xb9 h SER 108 Ca 0.00 0.00 0.12 0.00 -0.47 0.00 0.00 61.79 61.44 1xb9 h SER 108 Cb 0.00 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 1xb9 h SER 108 CO 0.00 0.67 -0.16 0.61 -0.87 0.00 0.00 176.83 177.09 1xb9 n GLY 109 N 1.19 -1.94 3.77 -0.77 0.00 -1.26 -2.13 105.19 104.04 1xb9 n GLY 109 Ca 0.01 -1.33 -0.37 0.00 0.00 0.00 0.00 46.02 44.34 1xb9 n GLY 109 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1xb9 s PRO 110 N -1.04 3.59 -0.03 1.61 0.02 -1.26 -3.80 135.00 134.09 1xb9 s PRO 110 Ca 0.00 1.77 0.05 0.00 0.02 0.00 0.00 61.00 62.84 1xb9 s PRO 110 Cb 0.00 -2.28 -0.01 0.00 0.02 0.00 0.00 34.50 32.23 1xb9 s PRO 110 CO 0.00 -0.69 -0.17 0.08 -0.33 0.00 0.00 177.00 175.88 1xb9 s VAL 111 N -1.58 1.42 -0.01 3.83 1.01 0.47 -1.45 120.40 124.09 1xb9 s VAL 111 Ca 0.67 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.94 1xb9 s VAL 111 Cb -0.28 -1.21 -0.03 0.00 0.00 0.00 0.00 36.38 34.86 1xb9 s VAL 111 CO 0.34 0.41 -0.09 -0.31 0.00 0.00 0.00 175.10 175.45 1xb9 s TYR 112 N -0.16 2.84 -0.10 5.22 1.51 0.46 -0.19 117.35 126.93 1xb9 s TYR 112 Ca 0.01 -0.07 0.02 0.00 -1.01 0.00 0.00 57.07 56.03 1xb9 s TYR 112 Cb -0.10 -1.61 0.01 0.00 -0.11 0.00 0.00 41.96 40.16 1xb9 s TYR 112 CO 0.01 0.33 -0.17 0.08 -1.11 0.00 0.00 175.55 174.69 1xb9 s VAL 113 N -0.93 1.56 0.15 0.71 1.01 -0.20 -1.08 120.40 121.61 1xb9 s VAL 113 Ca 0.15 -0.70 0.08 0.00 0.00 0.00 0.00 61.98 61.51 1xb9 s VAL 113 Cb -0.11 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 1xb9 s VAL 113 CO 0.06 0.45 -0.18 -0.94 0.00 0.00 0.00 175.10 174.48 1xb9 s SER 114 N 0.73 2.59 0.00 3.32 1.04 -0.51 -1.53 113.70 119.33 1xb9 s SER 114 Ca -0.12 -0.82 0.00 0.00 0.48 0.00 0.00 55.95 55.49 1xb9 s SER 114 Cb -0.16 -0.15 0.00 0.00 0.10 0.00 0.00 66.02 65.81 1xb9 s SER 114 CO 0.03 -0.03 0.00 0.61 0.98 0.00 0.00 173.24 174.83 1xb9 n GLY 115 N 0.47 -0.59 3.54 7.32 0.00 -0.14 -0.37 105.19 115.43 1xb9 n GLY 115 Ca -0.15 -0.67 -0.32 0.00 0.00 0.00 0.00 46.02 44.89 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 -0.26 2.38 -0.26 1.61 -0.21 0.57 0.34 119.66 123.82 1xb9 s GLN 116 Ca 0.00 -0.82 -0.04 0.00 0.02 0.00 0.00 55.36 54.52 1xb9 s GLN 116 Cb 0.00 -2.38 0.01 0.00 1.00 0.00 0.00 33.01 31.64 1xb9 s GLN 116 CO 0.00 0.58 -0.01 -1.58 -2.12 0.00 0.00 175.29 172.16 1xb9 s HIS 117 N -0.96 3.07 -0.14 0.91 5.65 0.79 -0.27 115.29 124.34 1xb9 s HIS 117 Ca 0.16 -1.22 -0.06 0.00 0.25 0.00 0.00 55.06 54.19 1xb9 s HIS 117 Cb -0.11 -2.14 -0.04 0.00 -1.18 0.00 0.00 32.58 29.11 1xb9 s HIS 117 CO 0.06 -0.64 0.08 -0.51 -0.65 0.00 0.00 174.74 173.09 1xb9 s LEU 118 N 1.42 4.01 -0.08 8.88 1.43 0.29 -0.80 118.68 133.82 1xb9 s LEU 118 Ca 0.02 0.24 0.00 0.00 -1.03 0.00 0.00 54.13 53.37 1xb9 s LEU 118 Cb -0.16 -1.99 0.02 0.00 0.03 0.00 0.00 46.19 44.09 1xb9 s LEU 118 CO -0.02 0.30 -0.06 -0.69 0.23 0.00 0.00 176.35 176.10 1xb9 s VAL 119 N -0.36 0.82 0.00 -1.59 1.01 -0.30 -1.94 120.40 118.04 1xb9 s VAL 119 Ca 0.10 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 61.86 1xb9 s VAL 119 Cb -0.12 -0.84 0.00 0.00 0.00 0.00 0.00 36.38 35.42 1xb9 s VAL 119 CO 0.02 0.31 0.35 0.00 0.00 0.00 0.00 175.10 175.78