#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 3.54 -0.25 -1.46 -0.21 0.88 -4.92 119.66 117.25 1xb9 s GLN 16 Ca 0.00 -0.13 0.01 0.00 0.02 0.00 0.00 55.36 55.27 1xb9 s GLN 16 Cb 0.00 -3.09 0.06 0.00 1.00 0.00 0.00 33.01 30.98 1xb9 s GLN 16 CO 0.00 0.66 -0.05 1.21 -2.12 0.00 0.00 175.29 174.99 1xb9 s ASN 17 N -1.70 4.05 0.24 5.90 2.47 -1.26 -1.13 114.94 123.51 1xb9 s ASN 17 Ca 0.27 -1.31 0.08 0.00 0.42 0.00 0.00 52.86 52.32 1xb9 s ASN 17 Cb -0.13 -1.28 -0.04 0.00 -1.45 0.00 0.00 41.25 38.35 1xb9 s ASN 17 CO 0.16 -0.24 0.05 -0.36 -3.72 0.00 0.00 177.10 172.98 1xb9 s PHE 18 N 1.30 2.85 0.37 0.43 0.40 -0.73 -4.95 117.98 117.64 1xb9 s PHE 18 Ca -0.05 -0.17 -0.26 0.00 -0.60 0.00 0.00 56.93 55.86 1xb9 s PHE 18 Cb -0.19 -1.30 -0.09 0.00 0.51 0.00 0.00 43.02 41.95 1xb9 s PHE 18 CO -0.07 0.57 1.07 -0.51 0.70 0.00 0.00 175.22 176.98 1xb9 s LEU 19 N -3.50 4.25 0.09 -0.37 1.43 -1.26 -0.63 118.68 118.68 1xb9 s LEU 19 Ca 0.31 2.13 0.06 0.00 -1.03 0.00 0.00 54.13 55.59 1xb9 s LEU 19 Cb -0.08 -4.02 -0.03 0.00 0.03 0.00 0.00 46.19 42.09 1xb9 s LEU 19 CO 0.21 -0.42 -0.15 0.12 0.23 0.00 0.00 176.35 176.34 1xb9 s PHE 20 N -1.50 1.35 0.01 0.29 5.36 0.38 -4.61 117.98 119.26 1xb9 s PHE 20 Ca 0.54 -0.49 -0.29 0.00 -0.96 0.00 0.00 56.93 55.74 1xb9 s PHE 20 Cb -0.26 -0.74 0.10 0.00 -0.34 0.00 0.00 43.02 41.78 1xb9 s PHE 20 CO 0.32 0.10 1.01 0.20 -1.46 0.00 0.00 175.22 175.39 1xb9 s GLY 21 N -1.99 -0.36 0.07 13.12 0.00 -1.26 -0.98 107.32 115.92 1xb9 s GLY 21 Ca 0.03 0.80 -0.26 0.00 0.00 0.00 0.00 44.72 45.28 1xb9 s GLY 21 CO 0.03 0.24 0.77 0.00 0.00 0.00 0.00 173.10 174.14 1xb9 s GLU 23 N -3.39 2.29 0.05 0.00 2.12 -1.26 -1.66 118.70 116.85 1xb9 s GLU 23 Ca 0.04 -0.73 0.08 0.00 0.36 0.00 0.00 54.97 54.72 1xb9 s GLU 23 Cb -0.01 -1.88 -0.03 0.00 0.26 0.00 0.00 34.13 32.47 1xb9 s GLU 23 CO -0.10 0.24 -0.24 -0.51 -0.54 0.00 0.00 175.26 174.12 1xb9 s LEU 24 N 0.13 2.18 0.15 2.70 1.43 0.71 -4.90 118.68 121.07 1xb9 s LEU 24 Ca -0.09 -0.57 -0.24 0.00 -1.03 0.00 0.00 54.13 52.21 1xb9 s LEU 24 Cb -0.14 -1.12 0.07 0.00 0.03 0.00 0.00 46.19 45.03 1xb9 s LEU 24 CO 0.04 0.20 0.66 -1.59 0.23 0.00 0.00 176.35 175.89 1xb9 s LYS 25 N -1.28 1.27 0.48 1.70 -2.85 -0.51 0.29 119.74 118.84 1xb9 s LYS 25 Ca 0.10 -0.50 0.36 0.00 -1.00 0.00 0.00 55.97 54.92 1xb9 s LYS 25 Cb -0.09 0.56 1.53 0.00 -2.06 0.00 0.00 37.83 37.76 1xb9 s LYS 25 CO 0.02 -0.56 1.62 0.00 0.10 0.00 0.00 175.35 176.53 1xb9 h ALA 26 N 2.00 3.07 -0.44 0.59 0.00 -1.34 0.35 119.26 123.49 1xb9 h ALA 26 Ca -0.31 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1xb9 h ALA 26 Cb 1.29 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.27 1xb9 h ALA 26 CO 0.35 -1.68 0.00 -0.40 0.00 0.00 0.00 179.25 177.53 1xb9 n ASP 27 N -4.47 3.23 -2.83 0.00 5.75 -1.26 -4.41 116.55 112.56 1xb9 n ASP 27 Ca 0.39 -2.04 -0.08 0.00 -0.01 0.00 0.00 54.79 53.05 1xb9 n ASP 27 Cb 1.59 -0.31 0.01 0.00 -1.03 0.00 0.00 41.12 41.39 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 0.75 0.60 0.26 0.11 0.00 0.12 -5.05 118.16 114.95 1xb9 n LYS 28 Ca 0.15 -2.08 0.15 0.00 0.00 0.00 0.00 58.31 56.53 1xb9 n LYS 28 Cb 0.49 -1.47 0.58 0.00 0.00 0.00 0.00 35.03 34.63 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 4.66 0.00 -5.76 1.64 1.57 -1.61 -1.35 116.57 115.71 1xb9 h LYS 29 Ca 0.01 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.29 1xb9 h LYS 29 Cb 1.06 0.00 -0.23 0.00 0.08 0.00 0.00 32.23 33.14 1xb9 h LYS 29 CO 0.17 0.04 -0.81 -1.21 -0.57 0.00 0.00 179.45 177.07 1xb9 s GLU 30 N -3.60 1.03 -0.05 3.15 2.02 -1.26 -0.61 118.70 119.39 1xb9 s GLU 30 Ca 0.02 -1.00 0.01 0.00 0.02 0.00 0.00 54.97 54.02 1xb9 s GLU 30 Cb 0.09 -1.16 0.02 0.00 0.10 0.00 0.00 34.13 33.18 1xb9 s GLU 30 CO 0.58 0.27 -0.04 -0.47 0.02 0.00 0.00 175.26 175.62 1xb9 s TYR 31 N -1.09 0.74 -0.31 1.61 5.04 0.01 -4.99 117.35 118.36 1xb9 s TYR 31 Ca 0.03 -0.21 -0.08 0.00 -2.44 0.00 0.00 57.07 54.37 1xb9 s TYR 31 Cb -0.09 -0.68 0.01 0.00 0.35 0.00 0.00 41.96 41.54 1xb9 s TYR 31 CO 0.03 -0.21 0.13 0.45 -1.34 0.00 0.00 175.55 174.61 1xb9 s SER 32 N 1.03 5.38 -0.36 4.32 0.15 -1.26 -1.41 113.70 121.54 1xb9 s SER 32 Ca -0.09 -0.69 -0.17 0.00 0.70 0.00 0.00 55.95 55.70 1xb9 s SER 32 Cb -0.14 -1.95 -0.00 0.00 -1.71 0.00 0.00 66.02 62.22 1xb9 s SER 32 CO -0.01 -0.22 0.44 0.12 1.20 0.00 0.00 173.24 174.77 1xb9 s PHE 33 N 1.55 3.19 0.02 3.44 5.36 0.90 -5.01 117.98 127.43 1xb9 s PHE 33 Ca 0.03 -0.03 0.05 0.00 -0.96 0.00 0.00 56.93 56.02 1xb9 s PHE 33 Cb -0.17 -2.82 -0.02 0.00 -0.34 0.00 0.00 43.02 39.66 1xb9 s PHE 33 CO 0.04 -0.54 -0.14 0.15 -1.46 0.00 0.00 175.22 173.28 1xb9 s LYS 34 N 2.19 0.99 0.00 10.12 1.02 -1.26 -1.09 119.74 131.72 1xb9 s LYS 34 Ca 0.14 -0.67 0.00 0.00 0.02 0.00 0.00 55.97 55.46 1xb9 s LYS 34 Cb -0.16 -0.99 0.00 0.00 -0.52 0.00 0.00 37.83 36.16 1xb9 s LYS 34 CO 0.13 0.25 0.00 1.55 -0.92 0.00 0.00 175.35 176.36 1xb9 n VAL 35 N 2.16 0.00 0.00 3.17 3.14 -1.26 -5.08 118.33 120.46 1xb9 n VAL 35 Ca -0.17 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.21 1xb9 n VAL 35 Cb 0.55 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.33 1xb9 n VAL 35 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1xb9 n ASP 38 N 0.00 0.00 -0.08 6.55 4.64 -1.26 -5.03 116.55 121.37 1xb9 n ASP 38 Ca 0.00 0.00 -0.10 0.00 -1.38 0.00 0.00 54.79 53.31 1xb9 n ASP 38 Cb 0.00 0.00 -0.06 0.00 -1.04 0.00 0.00 41.12 40.02 1xb9 n ASP 38 CO 0.00 0.00 0.00 1.05 -0.82 0.00 0.00 177.20 177.43 1xb9 h GLU 39 N 0.00 0.00 -7.08 -0.67 -0.00 -2.06 -3.51 114.58 101.26 1xb9 h GLU 39 Ca 0.00 0.00 -0.52 0.00 -0.00 0.00 0.00 59.36 58.84 1xb9 h GLU 39 Cb 0.00 0.00 0.21 0.00 -0.00 0.00 0.00 28.75 28.96 1xb9 h GLU 39 CO 0.00 0.45 -0.08 0.09 -0.00 0.00 0.00 179.01 179.46 1xb9 n ASN 40 N -4.60 -0.57 -4.70 3.06 3.02 -1.26 -5.00 115.26 105.20 1xb9 n ASN 40 Ca -0.13 0.39 -0.42 0.00 -0.03 0.00 0.00 54.58 54.39 1xb9 n ASN 40 Cb 0.36 -1.38 -0.03 0.00 -0.61 0.00 0.00 39.78 38.12 1xb9 n ASN 40 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1xb9 s GLU 41 N -4.24 4.47 0.03 3.52 2.02 -1.26 -4.90 118.70 118.35 1xb9 s GLU 41 Ca 0.63 1.44 0.06 0.00 0.02 0.00 0.00 54.97 57.13 1xb9 s GLU 41 Cb -0.23 -3.50 -0.03 0.00 0.10 0.00 0.00 34.13 30.47 1xb9 s GLU 41 CO 0.61 -0.21 -0.16 -1.01 0.02 0.00 0.00 175.26 174.51 1xb9 s HIS 42 N 1.57 2.60 -0.00 1.61 3.76 -1.26 -1.05 115.29 122.52 1xb9 s HIS 42 Ca 0.51 -0.23 0.01 0.00 -0.15 0.00 0.00 55.06 55.21 1xb9 s HIS 42 Cb -0.20 -1.49 -0.00 0.00 1.11 0.00 0.00 32.58 31.99 1xb9 s HIS 42 CO 0.23 0.26 -0.04 -0.65 -0.85 0.00 0.00 174.74 173.68 1xb9 s GLN 43 N -1.37 0.35 -0.41 1.40 -1.52 -0.50 -4.35 119.66 113.25 1xb9 s GLN 43 Ca 0.15 -0.17 -0.17 0.00 -1.95 0.00 0.00 55.36 53.22 1xb9 s GLN 43 Cb -0.11 -0.33 0.02 0.00 -0.22 0.00 0.00 33.01 32.38 1xb9 s GLN 43 CO 0.05 0.09 0.40 -1.17 -0.25 0.00 0.00 175.29 174.41 1xb9 s LEU 44 N -0.14 4.90 -0.46 2.90 2.96 0.06 -0.92 118.68 127.98 1xb9 s LEU 44 Ca 0.01 -0.70 -0.23 0.00 -0.22 0.00 0.00 54.13 52.99 1xb9 s LEU 44 Cb -0.02 -2.32 0.03 0.00 0.50 0.00 0.00 46.19 44.37 1xb9 s LEU 44 CO -0.00 -0.53 0.78 -0.55 -1.32 0.00 0.00 176.35 174.73 1xb9 s SER 45 N 1.77 6.39 -0.07 3.68 0.15 0.86 -0.66 113.70 125.82 1xb9 s SER 45 Ca 0.10 -0.17 -0.27 0.00 0.70 0.00 0.00 55.95 56.31 1xb9 s SER 45 Cb -0.17 -2.38 -0.03 0.00 -1.71 0.00 0.00 66.02 61.73 1xb9 s SER 45 CO 0.13 -0.93 0.86 -0.76 1.20 0.00 0.00 173.24 173.74 1xb9 s LEU 46 N 3.29 4.29 -0.16 3.45 1.43 -0.42 -0.78 118.68 129.79 1xb9 s LEU 46 Ca 0.29 1.39 -0.13 0.00 -1.03 0.00 0.00 54.13 54.64 1xb9 s LEU 46 Cb -0.12 -3.34 -0.06 0.00 0.03 0.00 0.00 46.19 42.69 1xb9 s LEU 46 CO 0.22 -0.27 -0.29 0.54 0.23 0.00 0.00 176.35 176.78 1xb9 n ARG 47 N 4.30 0.44 -4.18 1.70 5.12 -0.57 -1.12 116.66 122.34 1xb9 n ARG 47 Ca 0.04 0.18 -0.13 0.00 -1.93 0.00 0.00 57.85 56.01 1xb9 n ARG 47 Cb 0.50 -1.27 -0.11 0.00 -1.16 0.00 0.00 32.46 30.43 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 -2.63 0.91 -0.08 0.55 -4.23 -1.05 -0.80 115.64 108.30 1xb9 s THR 48 Ca -0.26 -1.74 0.02 0.00 -1.18 0.00 0.00 61.69 58.53 1xb9 s THR 48 Cb 0.06 -1.47 0.01 0.00 1.34 0.00 0.00 72.50 72.45 1xb9 s THR 48 CO 0.36 -0.65 -0.15 -0.69 -0.54 0.00 0.00 174.62 172.96 1xb9 s VAL 49 N -2.77 1.36 0.04 2.29 1.01 0.03 -1.50 120.40 120.86 1xb9 s VAL 49 Ca 0.08 -0.60 0.02 0.00 0.00 0.00 0.00 61.98 61.48 1xb9 s VAL 49 Cb -0.01 -1.23 -0.02 0.00 0.00 0.00 0.00 36.38 35.12 1xb9 s VAL 49 CO -0.01 0.41 -0.08 -0.94 0.00 0.00 0.00 175.10 174.48 1xb9 s SER 50 N 0.69 0.86 -0.08 3.32 1.04 0.10 -0.74 113.70 118.89 1xb9 s SER 50 Ca -0.13 -0.57 -0.15 0.00 0.48 0.00 0.00 55.95 55.58 1xb9 s SER 50 Cb -0.16 0.04 -0.05 0.00 0.10 0.00 0.00 66.02 65.95 1xb9 s SER 50 CO 0.03 -0.22 0.39 -0.76 0.98 0.00 0.00 173.24 173.67 1xb9 s LEU 51 N -1.64 4.36 0.74 2.42 1.43 0.16 -0.61 118.68 125.55 1xb9 s LEU 51 Ca -0.09 0.79 -0.11 0.00 -1.03 0.00 0.00 54.13 53.69 1xb9 s LEU 51 Cb -0.09 -2.54 0.04 0.00 0.03 0.00 0.00 46.19 43.62 1xb9 s LEU 51 CO 0.00 0.18 1.08 -0.83 0.23 0.00 0.00 176.35 177.01 1xb9 s GLY 52 N -0.22 1.65 0.54 -3.19 0.00 -0.26 -4.94 107.32 100.91 1xb9 s GLY 52 Ca 0.22 -0.02 0.24 0.00 0.00 0.00 0.00 44.72 45.17 1xb9 s GLY 52 CO 0.10 0.34 2.05 0.00 0.00 0.00 0.00 173.10 175.59 1xb9 h ALA 53 N -0.90 2.22 -0.20 3.20 0.00 -1.98 -2.41 119.26 119.19 1xb9 h ALA 53 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1xb9 h ALA 53 Cb 1.23 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1xb9 h ALA 53 CO 0.57 -0.42 0.00 -1.13 0.00 0.00 0.00 179.25 178.27 1xb9 n SER 54 N -4.26 2.06 -4.75 0.00 3.41 -1.26 -4.92 113.62 103.90 1xb9 n SER 54 Ca 0.05 -1.77 -0.41 0.00 -0.26 0.00 0.00 58.87 56.48 1xb9 n SER 54 Cb 0.42 -0.13 -0.04 0.00 -0.26 0.00 0.00 64.21 64.21 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 -1.75 3.41 0.61 7.33 0.00 -0.91 -4.81 121.76 125.65 1xb9 s ALA 55 Ca 0.34 0.92 -0.19 0.00 0.00 0.00 0.00 51.96 53.02 1xb9 s ALA 55 Cb 0.19 -3.35 -0.03 0.00 0.00 0.00 0.00 23.12 19.93 1xb9 s ALA 55 CO 0.28 -0.23 1.27 0.15 0.00 0.00 0.00 175.76 177.23 1xb9 s LYS 56 N -1.16 2.81 -1.36 0.00 3.01 -1.26 -4.90 119.74 116.89 1xb9 s LYS 56 Ca 0.47 2.00 -0.16 0.00 -1.01 0.00 0.00 55.97 57.26 1xb9 s LYS 56 Cb -0.32 -1.94 0.03 0.00 -1.01 0.00 0.00 37.83 34.59 1xb9 s LYS 56 CO 0.40 -1.38 2.04 -3.47 0.51 0.00 0.00 175.35 173.45 1xb9 n ASP 57 N -1.64 4.14 -4.12 2.83 2.03 -1.26 -4.68 116.55 113.85 1xb9 n ASP 57 Ca 0.14 -2.85 -0.11 0.00 0.52 0.00 0.00 54.79 52.49 1xb9 n ASP 57 Cb 0.48 -1.66 -0.08 0.00 -0.72 0.00 0.00 41.12 39.14 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 3.76 1.32 -0.14 -0.67 -1.05 -1.26 -4.93 118.70 115.73 1xb9 s GLU 58 Ca 0.51 -1.48 -0.29 0.00 -0.15 0.00 0.00 54.97 53.56 1xb9 s GLU 58 Cb 0.10 0.35 -0.03 0.00 -0.44 0.00 0.00 34.13 34.11 1xb9 s GLU 58 CO -0.01 -0.48 1.42 -1.17 0.95 0.00 0.00 175.26 175.97 1xb9 s LEU 59 N -3.10 4.20 -0.26 1.83 1.98 -1.26 -4.26 118.68 117.81 1xb9 s LEU 59 Ca 0.32 1.85 -0.12 0.00 -2.89 0.00 0.00 54.13 53.29 1xb9 s LEU 59 Cb 0.04 -3.54 -0.05 0.00 0.66 0.00 0.00 46.19 43.31 1xb9 s LEU 59 CO 0.10 -0.86 0.24 -1.00 -1.89 0.00 0.00 176.35 172.94 1xb9 s HIS 60 N 3.82 3.26 -0.22 5.38 3.76 0.28 -3.80 115.29 127.77 1xb9 s HIS 60 Ca 0.62 0.24 -0.07 0.00 -0.15 0.00 0.00 55.06 55.69 1xb9 s HIS 60 Cb -0.26 -2.41 -0.04 0.00 1.11 0.00 0.00 32.58 30.99 1xb9 s HIS 60 CO 0.21 -0.12 0.07 0.08 -0.85 0.00 0.00 174.74 174.13 1xb9 s VAL 61 N 1.65 4.55 -0.14 -0.90 1.01 -1.17 -1.89 120.40 123.51 1xb9 s VAL 61 Ca 0.10 -0.10 -0.05 0.00 0.00 0.00 0.00 61.98 61.92 1xb9 s VAL 61 Cb -0.15 -3.09 -0.04 0.00 0.00 0.00 0.00 36.38 33.10 1xb9 s VAL 61 CO 0.09 0.39 0.04 -0.69 0.00 0.00 0.00 175.10 174.94 1xb9 s VAL 62 N 1.01 4.62 0.20 2.92 1.01 -0.17 -0.40 120.40 129.58 1xb9 s VAL 62 Ca 0.04 -0.11 0.09 0.00 0.00 0.00 0.00 61.98 62.00 1xb9 s VAL 62 Cb -0.14 -3.03 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 1xb9 s VAL 62 CO 0.03 0.52 -0.10 -0.70 0.00 0.00 0.00 175.10 174.85 1xb9 s GLU 63 N -0.14 2.03 -0.06 2.72 2.12 0.13 -0.49 118.70 125.01 1xb9 s GLU 63 Ca 0.06 -1.33 0.05 0.00 0.36 0.00 0.00 54.97 54.11 1xb9 s GLU 63 Cb -0.12 -2.12 -0.02 0.00 0.26 0.00 0.00 34.13 32.14 1xb9 s GLU 63 CO 0.01 0.42 -0.21 0.00 -0.54 0.00 0.00 175.26 174.95 1xb9 s ALA 64 N -1.81 2.36 -0.21 6.30 0.00 0.53 -1.15 121.76 127.78 1xb9 s ALA 64 Ca 0.26 -1.02 0.02 0.00 0.00 0.00 0.00 51.96 51.21 1xb9 s ALA 64 Cb -0.08 -0.80 0.03 0.00 0.00 0.00 0.00 23.12 22.27 1xb9 s ALA 64 CO 0.15 0.45 -0.16 -2.00 0.00 0.00 0.00 175.76 174.20 1xb9 s GLU 65 N -0.31 2.64 0.02 0.00 2.12 0.18 -0.92 118.70 122.43 1xb9 s GLU 65 Ca 0.01 -0.99 -0.01 0.00 0.36 0.00 0.00 54.97 54.35 1xb9 s GLU 65 Cb -0.13 -2.64 0.00 0.00 0.26 0.00 0.00 34.13 31.63 1xb9 s GLU 65 CO 0.02 -0.34 0.04 0.41 -0.54 0.00 0.00 175.26 174.85 1xb9 n GLY 66 N 4.57 2.21 3.88 -1.50 0.00 -0.85 -1.46 105.19 112.04 1xb9 n GLY 66 Ca -0.18 -1.11 -0.35 0.00 0.00 0.00 0.00 46.02 44.37 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 -2.83 5.42 0.81 -0.61 -4.36 -1.26 -1.28 121.20 117.10 1xb9 s ILE 67 Ca 0.01 0.01 -0.14 0.00 -0.26 0.00 0.00 60.65 60.27 1xb9 s ILE 67 Cb -0.00 -3.44 0.19 0.00 1.25 0.00 0.00 42.46 40.45 1xb9 s ILE 67 CO 0.01 0.47 1.07 -0.46 0.24 0.00 0.00 174.94 176.27 1xb9 n ASN 68 N 1.48 -0.09 0.15 4.36 0.23 0.27 -4.91 115.26 116.75 1xb9 n ASN 68 Ca -0.16 -1.36 0.13 0.00 -0.53 0.00 0.00 54.58 52.66 1xb9 n ASN 68 Cb 0.54 -0.83 0.48 0.00 -2.08 0.00 0.00 39.78 37.89 1xb9 n ASN 68 CO 0.00 0.00 0.00 0.10 -0.93 0.00 0.00 177.26 176.43 1xb9 h TYR 69 N -1.70 0.00 -0.33 -2.53 -0.00 -1.98 -0.33 116.97 110.09 1xb9 h TYR 69 Ca -0.35 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.38 1xb9 h TYR 69 Cb 0.97 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.70 1xb9 h TYR 69 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 178.16 178.55 1xb9 n GLU 70 N -2.44 1.99 -1.15 0.10 1.02 -1.26 -4.96 120.64 113.94 1xb9 n GLU 70 Ca 0.03 -1.51 -0.05 0.00 -0.02 0.00 0.00 57.16 55.60 1xb9 n GLU 70 Cb 0.31 -1.39 -0.02 0.00 -0.02 0.00 0.00 31.44 30.32 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 1.22 0.73 3.80 0.62 0.00 -0.13 -5.03 105.19 106.41 1xb9 n GLY 71 Ca 0.16 -0.36 -0.38 0.00 0.00 0.00 0.00 46.02 45.44 1xb9 n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xb9 s LYS 72 N -1.94 4.10 -0.05 1.61 -0.14 -1.26 -4.81 119.74 117.25 1xb9 s LYS 72 Ca 0.00 0.53 -0.35 0.00 -1.36 0.00 0.00 55.97 54.78 1xb9 s LYS 72 Cb 0.00 -3.28 -0.13 0.00 -1.68 0.00 0.00 37.83 32.74 1xb9 s LYS 72 CO 0.00 0.55 1.74 2.41 -0.76 0.00 0.00 175.35 179.29 1xb9 n THR 73 N 2.21 0.35 -4.20 2.17 -1.04 -1.26 -0.56 114.28 111.94 1xb9 n THR 73 Ca -0.11 -0.06 -0.15 0.00 -2.04 0.00 0.00 64.05 61.68 1xb9 n THR 73 Cb 0.52 -1.58 -0.11 0.00 -1.82 0.00 0.00 70.33 67.34 1xb9 n THR 73 CO 0.00 0.00 0.00 0.27 -0.64 0.00 0.00 175.07 174.70 1xb9 s ILE 74 N 2.94 1.08 -0.13 12.58 -4.36 -0.40 -4.92 121.20 127.98 1xb9 s ILE 74 Ca 0.90 -1.69 0.02 0.00 -0.26 0.00 0.00 60.65 59.62 1xb9 s ILE 74 Cb -0.78 -1.45 0.00 0.00 1.25 0.00 0.00 42.46 41.48 1xb9 s ILE 74 CO 0.51 -0.53 -0.20 -0.54 0.24 0.00 0.00 174.94 174.42 1xb9 s LYS 75 N -2.82 3.11 0.05 0.37 1.02 -1.26 -2.01 119.74 118.20 1xb9 s LYS 75 Ca 0.07 -0.82 0.05 0.00 0.02 0.00 0.00 55.97 55.29 1xb9 s LYS 75 Cb -0.03 -2.46 -0.02 0.00 -0.52 0.00 0.00 37.83 34.80 1xb9 s LYS 75 CO 0.01 0.07 -0.15 0.96 -0.92 0.00 0.00 175.35 175.32 1xb9 s ILE 76 N 0.63 1.17 -0.19 2.17 -4.36 -0.09 -4.98 121.20 115.55 1xb9 s ILE 76 Ca -0.11 -1.12 -0.29 0.00 -0.26 0.00 0.00 60.65 58.88 1xb9 s ILE 76 Cb -0.16 -1.07 0.00 0.00 1.25 0.00 0.00 42.46 42.48 1xb9 s ILE 76 CO 0.02 -0.05 1.04 0.00 0.24 0.00 0.00 174.94 176.19 1xb9 s ALA 77 N -0.98 3.61 0.09 2.27 0.00 -1.26 -0.35 121.76 125.14 1xb9 s ALA 77 Ca 0.01 0.25 -0.03 0.00 0.00 0.00 0.00 51.96 52.19 1xb9 s ALA 77 Cb -0.09 -3.52 -0.24 0.00 0.00 0.00 0.00 23.12 19.28 1xb9 s ALA 77 CO 0.02 -0.92 1.19 -0.07 0.00 0.00 0.00 175.76 175.97 1xb9 h LEU 78 N 9.03 0.38 -7.00 0.00 3.38 -1.11 -3.47 115.31 116.52 1xb9 h LEU 78 Ca -0.23 -0.38 0.13 0.00 0.09 0.00 0.00 57.88 57.49 1xb9 h LEU 78 Cb 1.09 -0.12 -0.27 0.00 0.09 0.00 0.00 40.66 41.44 1xb9 h LEU 78 CO 0.94 1.28 0.69 0.00 0.09 0.00 0.00 178.44 181.44 1xb9 s ALA 79 N -2.76 -2.06 -0.14 1.53 0.00 -1.20 -5.01 121.76 112.12 1xb9 s ALA 79 Ca -0.03 1.75 0.02 0.00 0.00 0.00 0.00 51.96 53.70 1xb9 s ALA 79 Cb 0.08 -1.36 0.01 0.00 0.00 0.00 0.00 23.12 21.85 1xb9 s ALA 79 CO 0.87 -0.22 -0.22 -1.12 0.00 0.00 0.00 175.76 175.08 1xb9 s SER 80 N -0.40 3.07 0.03 0.00 0.01 -1.26 -1.00 113.70 114.14 1xb9 s SER 80 Ca 0.04 -0.59 0.02 0.00 1.31 0.00 0.00 55.95 56.73 1xb9 s SER 80 Cb -0.03 -1.42 -0.02 0.00 0.21 0.00 0.00 66.02 64.76 1xb9 s SER 80 CO -0.07 0.07 -0.07 -0.76 0.41 0.00 0.00 173.24 172.82 1xb9 s LEU 81 N 0.83 2.18 -0.11 2.44 1.02 -0.79 -4.93 118.68 119.32 1xb9 s LEU 81 Ca -0.07 -0.41 -0.08 0.00 0.02 0.00 0.00 54.13 53.59 1xb9 s LEU 81 Cb -0.15 -0.20 0.04 0.00 0.02 0.00 0.00 46.19 45.89 1xb9 s LEU 81 CO -0.02 -0.12 0.28 -0.75 0.02 0.00 0.00 176.35 175.75 1xb9 s LYS 82 N -1.14 0.28 0.27 1.70 2.20 -1.10 0.10 119.74 122.05 1xb9 s LYS 82 Ca -0.06 0.49 -0.03 0.00 -0.36 0.00 0.00 55.97 56.00 1xb9 s LYS 82 Cb -0.08 0.02 0.36 0.00 -1.51 0.00 0.00 37.83 36.63 1xb9 s LYS 82 CO 0.00 -0.10 1.92 -1.35 -0.36 0.00 0.00 175.35 175.46 1xb9 h PRO 83 N 6.49 1.20 -0.01 4.03 0.11 -1.82 0.12 132.00 142.13 1xb9 h PRO 83 Ca -0.33 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1xb9 h PRO 83 Cb 1.18 -0.27 0.00 0.00 0.11 0.00 0.00 31.00 32.02 1xb9 h PRO 83 CO 0.35 0.79 -0.00 -1.13 -0.21 0.00 0.00 178.00 177.80 1xb9 n SER 84 N -4.43 0.73 0.01 -2.05 3.41 -1.26 -4.20 113.62 105.83 1xb9 n SER 84 Ca 0.13 -1.22 0.00 0.00 -0.26 0.00 0.00 58.87 57.51 1xb9 n SER 84 Cb 0.08 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 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 -0.44 0.13 -2.93 -3.33 0.31 -0.55 -5.01 118.33 106.50 1xb9 n VAL 85 Ca 0.21 0.04 -0.02 0.00 -0.01 0.00 0.00 64.34 64.57 1xb9 n VAL 85 Cb 0.23 -1.49 0.00 0.00 -0.91 0.00 0.00 33.84 31.67 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 -2.00 0.85 0.16 5.55 0.74 0.32 -5.00 119.66 120.28 1xb9 s GLN 86 Ca 0.00 -0.61 0.25 0.00 0.05 0.00 0.00 55.36 55.05 1xb9 s GLN 86 Cb 0.00 0.02 0.92 0.00 1.10 0.00 0.00 33.01 35.05 1xb9 s GLN 86 CO 0.00 -1.12 1.76 -0.35 -0.55 0.00 0.00 175.29 175.04 1xb9 n PRO 87 N 3.56 0.17 -3.91 1.67 -0.04 -1.22 -2.70 135.00 132.52 1xb9 n PRO 87 Ca 0.14 0.23 -0.11 0.00 -0.04 0.00 0.00 63.50 63.72 1xb9 n PRO 87 Cb 0.58 -1.74 -0.13 0.00 -0.04 0.00 0.00 33.50 32.17 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 -3.12 0.05 -0.07 0.52 2.01 -1.26 -0.66 115.64 113.10 1xb9 s THR 88 Ca 0.09 -0.36 0.01 0.00 0.31 0.00 0.00 61.69 61.74 1xb9 s THR 88 Cb 0.13 -0.11 0.02 0.00 0.01 0.00 0.00 72.50 72.55 1xb9 s THR 88 CO 0.50 -0.20 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.47 1xb9 s VAL 89 N -0.58 0.84 -0.12 3.82 1.01 0.08 -5.01 120.40 120.44 1xb9 s VAL 89 Ca -0.06 -0.25 -0.16 0.00 0.00 0.00 0.00 61.98 61.50 1xb9 s VAL 89 Cb -0.04 -0.84 -0.05 0.00 0.00 0.00 0.00 36.38 35.45 1xb9 s VAL 89 CO -0.00 0.31 0.40 -0.55 0.00 0.00 0.00 175.10 175.25 1xb9 s SER 90 N 1.17 6.61 0.03 3.32 0.15 -1.26 -0.79 113.70 122.94 1xb9 s SER 90 Ca -0.06 0.73 0.24 0.00 0.70 0.00 0.00 55.95 57.55 1xb9 s SER 90 Cb -0.14 -2.24 0.22 0.00 -1.71 0.00 0.00 66.02 62.14 1xb9 s SER 90 CO -0.02 0.09 1.19 0.18 1.20 0.00 0.00 173.24 175.88 1xb9 n LEU 91 N 3.36 0.63 -0.46 3.45 4.77 0.02 -4.97 117.00 123.79 1xb9 n LEU 91 Ca -0.10 -0.05 -0.06 0.00 -0.03 0.00 0.00 56.01 55.77 1xb9 n LEU 91 Cb 0.52 -0.15 -0.03 0.00 -2.33 0.00 0.00 43.42 41.43 1xb9 n LEU 91 CO 0.41 0.09 -0.06 0.61 -1.33 0.00 0.00 177.39 177.11 1xb9 n GLY 92 N 1.43 0.84 0.53 -0.72 0.00 -1.22 -3.79 105.19 102.25 1xb9 n GLY 92 Ca 0.04 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.15 0.72 3.55 -0.02 0.00 -0.79 -5.02 105.19 101.48 1xb9 n GLY 93 Ca -0.06 -0.43 -0.38 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.15 1.90 -0.08 1.61 5.99 -0.28 -4.79 117.98 120.18 1xb9 s PHE 94 Ca 0.00 0.45 -0.24 0.00 0.00 0.00 0.00 56.93 57.14 1xb9 s PHE 94 Cb 0.00 -4.27 -0.03 0.00 0.00 0.00 0.00 43.02 38.71 1xb9 s PHE 94 CO 0.00 -2.17 0.73 -1.21 -0.00 0.00 0.00 175.22 172.57 1xb9 s GLU 95 N 6.56 4.42 -0.05 10.12 2.02 -1.26 -1.30 118.70 139.22 1xb9 s GLU 95 Ca 0.57 0.91 0.04 0.00 0.02 0.00 0.00 54.97 56.52 1xb9 s GLU 95 Cb -0.10 -3.46 -0.00 0.00 0.10 0.00 0.00 34.13 30.66 1xb9 s GLU 95 CO 0.15 0.01 -0.17 0.42 0.02 0.00 0.00 175.26 175.69 1xb9 s ILE 96 N 0.98 1.42 -0.09 -1.63 1.01 0.17 -4.97 121.20 118.09 1xb9 s ILE 96 Ca 0.38 -0.69 -0.30 0.00 0.00 0.00 0.00 60.65 60.04 1xb9 s ILE 96 Cb -0.18 -1.23 -0.02 0.00 0.01 0.00 0.00 42.46 41.05 1xb9 s ILE 96 CO 0.18 0.41 1.00 -0.89 0.00 0.00 0.00 174.94 175.64 1xb9 s THR 97 N 0.16 4.80 0.80 2.92 2.01 -1.26 -0.76 115.64 124.31 1xb9 s THR 97 Ca -0.07 2.04 -0.12 0.00 0.31 0.00 0.00 61.69 63.85 1xb9 s THR 97 Cb -0.13 -4.31 0.08 0.00 0.01 0.00 0.00 72.50 68.15 1xb9 s THR 97 CO 0.03 0.03 1.16 -2.16 -0.69 0.00 0.00 174.62 172.99 1xb9 s PRO 98 N 1.82 1.78 0.45 4.92 0.04 -1.26 -4.56 135.00 138.20 1xb9 s PRO 98 Ca 0.49 1.56 -0.23 0.00 0.04 0.00 0.00 61.00 62.86 1xb9 s PRO 98 Cb -0.19 -1.81 -0.08 0.00 0.04 0.00 0.00 34.50 32.46 1xb9 s PRO 98 CO 0.20 -2.07 1.14 -1.25 0.04 0.00 0.00 177.00 175.06 1xb9 s PRO 99 N -4.36 3.84 -0.01 0.56 0.04 -1.26 -4.99 135.00 128.82 1xb9 s PRO 99 Ca 0.69 1.72 -0.01 0.00 0.04 0.00 0.00 61.00 63.43 1xb9 s PRO 99 Cb -0.24 -2.43 -0.00 0.00 0.04 0.00 0.00 34.50 31.87 1xb9 s PRO 99 CO 0.51 -0.47 0.03 0.54 0.04 0.00 0.00 177.00 177.65 1xb9 s VAL 100 N -1.57 0.03 -0.16 -0.36 0.11 -0.25 -4.62 120.40 113.58 1xb9 s VAL 100 Ca 0.62 -0.24 -0.06 0.00 -2.93 0.00 0.00 61.98 59.38 1xb9 s VAL 100 Cb -0.27 -0.13 -0.04 0.00 -1.53 0.00 0.00 36.38 34.41 1xb9 s VAL 100 CO 0.33 -0.13 0.03 -0.63 -3.33 0.00 0.00 175.10 171.37 1xb9 s ILE 101 N -0.39 4.50 -0.21 7.04 1.01 -0.54 -0.07 121.20 132.55 1xb9 s ILE 101 Ca -0.04 -0.14 -0.12 0.00 0.00 0.00 0.00 60.65 60.34 1xb9 s ILE 101 Cb -0.03 -3.00 -0.05 0.00 0.01 0.00 0.00 42.46 39.40 1xb9 s ILE 101 CO -0.00 0.49 0.22 -0.76 0.00 0.00 0.00 174.94 174.90 1xb9 s LEU 102 N 0.15 4.18 -0.02 2.97 1.43 -0.50 0.48 118.68 127.37 1xb9 s LEU 102 Ca 0.03 0.30 0.01 0.00 -1.03 0.00 0.00 54.13 53.43 1xb9 s LEU 102 Cb -0.13 -2.23 0.01 0.00 0.03 0.00 0.00 46.19 43.88 1xb9 s LEU 102 CO 0.01 0.08 -0.01 -0.60 0.23 0.00 0.00 176.35 176.06 1xb9 s ARG 103 N 0.78 0.25 -0.15 1.70 3.52 -0.30 -0.81 118.95 123.96 1xb9 s ARG 103 Ca 0.12 -0.01 -0.29 0.00 -0.13 0.00 0.00 55.73 55.41 1xb9 s ARG 103 Cb -0.13 -0.34 -0.01 0.00 -1.56 0.00 0.00 34.95 32.91 1xb9 s ARG 103 CO 0.03 -0.04 1.16 -1.17 -0.81 0.00 0.00 175.30 174.48 1xb9 s LEU 104 N 0.48 4.19 -0.08 -0.88 0.20 0.22 0.20 118.68 123.01 1xb9 s LEU 104 Ca -0.05 1.63 0.20 0.00 0.69 0.00 0.00 54.13 56.61 1xb9 s LEU 104 Cb -0.07 -3.55 -0.31 0.00 -0.43 0.00 0.00 46.19 41.83 1xb9 s LEU 104 CO -0.01 -0.66 0.35 0.29 -0.29 0.00 0.00 176.35 176.03 1xb9 n LYS 105 N 5.99 0.68 -3.59 1.98 4.76 0.46 -4.93 118.16 123.52 1xb9 n LYS 105 Ca 0.12 -0.14 -0.14 0.00 -2.87 0.00 0.00 58.31 55.28 1xb9 n LYS 105 Cb 0.46 -1.51 -0.05 0.00 -1.84 0.00 0.00 35.03 32.09 1xb9 n LYS 105 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1xb9 s SER 106 N -4.76 -0.41 0.00 4.39 1.04 -1.22 -4.86 113.70 107.88 1xb9 s SER 106 Ca -0.08 0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.49 1xb9 s SER 106 Cb 0.11 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.71 1xb9 s SER 106 CO 0.87 -0.71 0.00 0.61 0.98 0.00 0.00 173.24 174.99 1xb9 n GLY 107 N 0.41 -0.13 0.26 7.32 0.00 -1.25 -3.03 105.19 108.77 1xb9 n GLY 107 Ca -0.18 -1.60 0.06 0.00 0.00 0.00 0.00 46.02 44.30 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 0.14 -2.16 1.61 4.64 -1.92 -3.40 113.55 112.46 1xb9 h SER 108 Ca 0.00 -0.01 0.08 0.00 -0.47 0.00 0.00 61.79 61.40 1xb9 h SER 108 Cb 0.00 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.03 1xb9 h SER 108 CO 0.00 0.15 -0.11 0.61 -0.87 0.00 0.00 176.83 176.61 1xb9 n GLY 109 N -1.39 -1.41 3.80 -0.77 0.00 -1.26 -1.09 105.19 103.07 1xb9 n GLY 109 Ca -0.01 -1.13 -0.34 0.00 0.00 0.00 0.00 46.02 44.54 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 -0.53 3.67 -0.05 1.61 0.04 -1.26 -3.73 135.00 134.74 1xb9 s PRO 110 Ca 0.00 1.35 0.05 0.00 0.04 0.00 0.00 61.00 62.43 1xb9 s PRO 110 Cb 0.00 -2.07 -0.00 0.00 0.04 0.00 0.00 34.50 32.46 1xb9 s PRO 110 CO 0.00 -0.54 -0.19 0.08 0.04 0.00 0.00 177.00 176.39 1xb9 s VAL 111 N -2.07 1.61 -0.02 -0.36 1.01 0.14 -1.10 120.40 119.62 1xb9 s VAL 111 Ca 0.67 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.87 1xb9 s VAL 111 Cb -0.17 -1.38 -0.03 0.00 0.00 0.00 0.00 36.38 34.80 1xb9 s VAL 111 CO 0.24 0.46 -0.09 -0.31 0.00 0.00 0.00 175.10 175.40 1xb9 s TYR 112 N 0.04 2.84 -0.07 5.22 1.51 0.22 -0.21 117.35 126.90 1xb9 s TYR 112 Ca -0.05 -0.06 0.01 0.00 -1.01 0.00 0.00 57.07 55.96 1xb9 s TYR 112 Cb -0.13 -1.63 0.02 0.00 -0.11 0.00 0.00 41.96 40.11 1xb9 s TYR 112 CO 0.03 0.32 -0.10 0.08 -1.11 0.00 0.00 175.55 174.77 1xb9 s VAL 113 N -0.90 1.00 0.20 0.71 1.01 -0.66 0.01 120.40 121.78 1xb9 s VAL 113 Ca 0.15 -0.37 0.11 0.00 0.00 0.00 0.00 61.98 61.87 1xb9 s VAL 113 Cb -0.11 -0.95 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 1xb9 s VAL 113 CO 0.04 0.33 -0.22 -0.94 0.00 0.00 0.00 175.10 174.32 1xb9 s SER 114 N 0.94 3.56 0.00 3.32 1.04 -0.56 -2.19 113.70 119.82 1xb9 s SER 114 Ca -0.10 -0.84 0.00 0.00 0.48 0.00 0.00 55.95 55.49 1xb9 s SER 114 Cb -0.15 -0.32 0.00 0.00 0.10 0.00 0.00 66.02 65.65 1xb9 s SER 114 CO 0.01 0.11 0.00 0.61 0.98 0.00 0.00 173.24 174.94 1xb9 n GLY 115 N 0.14 -0.74 3.15 7.32 0.00 -0.15 -1.52 105.19 113.38 1xb9 n GLY 115 Ca -0.11 -0.37 -0.20 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.23 0.94 -0.42 1.61 -0.21 0.04 -0.47 119.66 120.91 1xb9 s GLN 116 Ca 0.00 -0.78 -0.09 0.00 0.02 0.00 0.00 55.36 54.51 1xb9 s GLN 116 Cb 0.00 -0.95 0.08 0.00 1.00 0.00 0.00 33.01 33.14 1xb9 s GLN 116 CO 0.00 0.23 0.26 -1.58 -2.12 0.00 0.00 175.29 172.08 1xb9 s HIS 117 N -0.88 3.34 -0.06 0.91 5.65 0.19 -0.10 115.29 124.35 1xb9 s HIS 117 Ca 0.01 -1.55 -0.12 0.00 0.25 0.00 0.00 55.06 53.65 1xb9 s HIS 117 Cb -0.08 -2.95 -0.05 0.00 -1.18 0.00 0.00 32.58 28.32 1xb9 s HIS 117 CO 0.01 -0.85 0.30 -0.51 -0.65 0.00 0.00 174.74 173.04 1xb9 s LEU 118 N 1.42 4.43 -0.13 8.88 1.43 -0.10 -1.77 118.68 132.84 1xb9 s LEU 118 Ca 0.03 0.75 -0.01 0.00 -1.03 0.00 0.00 54.13 53.86 1xb9 s LEU 118 Cb -0.23 -2.38 0.04 0.00 0.03 0.00 0.00 46.19 43.65 1xb9 s LEU 118 CO 0.02 0.34 -0.01 -0.69 0.23 0.00 0.00 176.35 176.24 1xb9 s VAL 119 N -0.94 0.64 0.44 -1.59 1.01 -0.28 -1.41 120.40 118.26 1xb9 s VAL 119 Ca 0.20 -0.26 -0.02 0.00 0.00 0.00 0.00 61.98 61.90 1xb9 s VAL 119 Cb -0.15 -0.88 0.09 0.00 0.00 0.00 0.00 36.38 35.44 1xb9 s VAL 119 CO 0.09 0.11 0.60 0.00 0.00 0.00 0.00 175.10 175.91 1xb9 n ALA 120 N 5.04 -0.07 0.54 5.51 0.00 -0.21 -0.08 120.51 131.23 1xb9 n ALA 120 Ca -0.09 -1.08 0.06 0.00 0.00 0.00 0.00 53.44 52.33 1xb9 n ALA 120 Cb 0.49 0.14 0.05 0.00 0.00 0.00 0.00 19.45 20.13 1xb9 n ALA 120 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78