#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 2.57 -0.04 4.33 -0.21 0.12 -4.93 119.66 121.50 1xb9 s GLN 16 Ca 0.00 -1.35 -0.00 0.00 0.02 0.00 0.00 55.36 54.02 1xb9 s GLN 16 Cb 0.00 -2.34 0.03 0.00 1.00 0.00 0.00 33.01 31.70 1xb9 s GLN 16 CO 0.00 0.22 0.01 1.21 -2.12 0.00 0.00 175.29 174.61 1xb9 s ASN 17 N -3.85 0.86 0.15 5.90 2.47 -1.26 -1.36 114.94 117.84 1xb9 s ASN 17 Ca 0.36 -0.02 0.08 0.00 0.42 0.00 0.00 52.86 53.70 1xb9 s ASN 17 Cb -0.05 -0.27 -0.04 0.00 -1.45 0.00 0.00 41.25 39.44 1xb9 s ASN 17 CO 0.24 -0.15 -0.18 -0.36 -3.72 0.00 0.00 177.10 172.93 1xb9 s PHE 18 N 1.46 1.77 0.33 0.43 0.40 -0.41 -4.95 117.98 117.02 1xb9 s PHE 18 Ca -0.04 -0.47 -0.28 0.00 -0.60 0.00 0.00 56.93 55.55 1xb9 s PHE 18 Cb -0.13 -0.90 -0.09 0.00 0.51 0.00 0.00 43.02 42.41 1xb9 s PHE 18 CO -0.03 0.29 1.14 -0.51 0.70 0.00 0.00 175.22 176.82 1xb9 s LEU 19 N -2.53 4.40 -0.03 -0.37 1.43 -1.26 -0.22 118.68 120.10 1xb9 s LEU 19 Ca 0.14 2.33 0.03 0.00 -1.03 0.00 0.00 54.13 55.60 1xb9 s LEU 19 Cb -0.06 -3.79 -0.00 0.00 0.03 0.00 0.00 46.19 42.37 1xb9 s LEU 19 CO 0.06 -0.38 -0.13 0.12 0.23 0.00 0.00 176.35 176.25 1xb9 s PHE 20 N -1.28 1.28 0.15 0.29 5.36 0.21 -4.60 117.98 119.40 1xb9 s PHE 20 Ca 0.50 -0.33 -0.14 0.00 -0.96 0.00 0.00 56.93 56.00 1xb9 s PHE 20 Cb -0.32 -0.87 0.02 0.00 -0.34 0.00 0.00 43.02 41.51 1xb9 s PHE 20 CO 0.41 -0.11 0.39 0.20 -1.46 0.00 0.00 175.22 174.65 1xb9 s GLY 21 N 0.03 -0.01 0.07 13.12 0.00 -1.26 -1.30 107.32 117.98 1xb9 s GLY 21 Ca -0.02 -0.35 -0.17 0.00 0.00 0.00 0.00 44.72 44.18 1xb9 s GLY 21 CO 0.01 -0.47 0.40 0.00 0.00 0.00 0.00 173.10 173.04 1xb9 s GLU 23 N -2.98 3.21 -0.02 0.00 2.12 -1.26 -1.39 118.70 118.39 1xb9 s GLU 23 Ca -0.02 -0.62 0.06 0.00 0.36 0.00 0.00 54.97 54.75 1xb9 s GLU 23 Cb 0.00 -2.66 -0.02 0.00 0.26 0.00 0.00 34.13 31.71 1xb9 s GLU 23 CO -0.06 0.36 -0.21 -0.51 -0.54 0.00 0.00 175.26 174.31 1xb9 s LEU 24 N -0.01 2.40 0.00 2.70 1.43 0.45 -4.89 118.68 120.76 1xb9 s LEU 24 Ca -0.02 -0.37 -0.01 0.00 -1.03 0.00 0.00 54.13 52.70 1xb9 s LEU 24 Cb -0.14 -1.44 0.00 0.00 0.03 0.00 0.00 46.19 44.64 1xb9 s LEU 24 CO 0.03 0.31 0.05 2.29 0.23 0.00 0.00 176.35 179.27 1xb9 n LYS 25 N 2.19 0.07 -0.09 1.70 2.85 0.73 -0.43 118.16 125.17 1xb9 n LYS 25 Ca -0.17 -0.15 -0.10 0.00 -1.05 0.00 0.00 58.31 56.84 1xb9 n LYS 25 Cb 0.52 0.18 -0.04 0.00 -0.65 0.00 0.00 35.03 35.04 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 1.91 -0.42 -0.56 0.58 0.00 -1.56 -2.01 119.26 117.20 1xb9 h ALA 26 Ca -0.02 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1xb9 h ALA 26 Cb 0.08 0.82 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1xb9 h ALA 26 CO 0.03 -0.85 0.00 -0.40 0.00 0.00 0.00 179.25 178.03 1xb9 n ASP 27 N -5.42 3.29 -3.20 0.00 5.75 -1.26 -4.29 116.55 111.43 1xb9 n ASP 27 Ca -0.01 -1.98 -0.19 0.00 -0.01 0.00 0.00 54.79 52.60 1xb9 n ASP 27 Cb 0.35 -0.37 -0.06 0.00 -1.03 0.00 0.00 41.12 40.00 1xb9 n ASP 27 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 1xb9 s LYS 28 N -1.25 0.92 0.18 0.11 2.20 -0.79 -5.01 119.74 116.08 1xb9 s LYS 28 Ca 0.41 -1.62 0.25 0.00 -0.36 0.00 0.00 55.97 54.65 1xb9 s LYS 28 Cb 0.22 -0.91 0.56 0.00 -1.51 0.00 0.00 37.83 36.19 1xb9 s LYS 28 CO 0.29 -1.34 1.54 0.87 -0.36 0.00 0.00 175.35 176.35 1xb9 h LYS 29 N 5.65 0.00 -5.94 4.03 1.57 -1.65 0.21 116.57 120.44 1xb9 h LYS 29 Ca 0.17 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.39 1xb9 h LYS 29 Cb 0.99 0.00 -0.27 0.00 0.08 0.00 0.00 32.23 33.03 1xb9 h LYS 29 CO 0.24 0.00 -0.84 -1.21 -0.57 0.00 0.00 179.45 177.07 1xb9 s GLU 30 N -3.14 1.38 -0.08 3.15 2.02 -1.26 -0.67 118.70 120.10 1xb9 s GLU 30 Ca 0.08 -0.85 0.02 0.00 0.02 0.00 0.00 54.97 54.24 1xb9 s GLU 30 Cb 0.12 -1.44 0.01 0.00 0.10 0.00 0.00 34.13 32.93 1xb9 s GLU 30 CO 0.66 0.37 -0.13 -0.47 0.02 0.00 0.00 175.26 175.71 1xb9 s TYR 31 N -0.71 1.66 -0.35 1.61 5.04 -0.07 -4.98 117.35 119.55 1xb9 s TYR 31 Ca 0.07 -0.69 -0.11 0.00 -2.44 0.00 0.00 57.07 53.90 1xb9 s TYR 31 Cb -0.08 -1.22 0.00 0.00 0.35 0.00 0.00 41.96 41.02 1xb9 s TYR 31 CO 0.01 -0.36 0.20 0.45 -1.34 0.00 0.00 175.55 174.52 1xb9 s SER 32 N 0.83 5.78 -0.35 4.32 0.15 -1.26 -0.94 113.70 122.23 1xb9 s SER 32 Ca -0.11 -0.68 -0.16 0.00 0.70 0.00 0.00 55.95 55.70 1xb9 s SER 32 Cb -0.15 -2.06 -0.01 0.00 -1.71 0.00 0.00 66.02 62.09 1xb9 s SER 32 CO 0.02 -0.29 0.40 0.12 1.20 0.00 0.00 173.24 174.69 1xb9 s PHE 33 N 1.63 3.20 0.04 3.44 5.36 0.97 -5.00 117.98 127.62 1xb9 s PHE 33 Ca 0.04 0.02 0.02 0.00 -0.96 0.00 0.00 56.93 56.05 1xb9 s PHE 33 Cb -0.18 -2.74 -0.02 0.00 -0.34 0.00 0.00 43.02 39.74 1xb9 s PHE 33 CO 0.08 -0.46 -0.07 0.15 -1.46 0.00 0.00 175.22 173.46 1xb9 s LYS 34 N 2.12 0.49 -0.02 10.12 1.02 -1.26 -1.54 119.74 130.66 1xb9 s LYS 34 Ca 0.14 -0.75 0.05 0.00 0.02 0.00 0.00 55.97 55.43 1xb9 s LYS 34 Cb -0.16 -0.19 -0.01 0.00 -0.52 0.00 0.00 37.83 36.95 1xb9 s LYS 34 CO 0.12 0.02 -0.16 0.08 -0.92 0.00 0.00 175.35 174.49 1xb9 s VAL 35 N -1.50 1.26 0.45 3.17 1.01 -1.26 -5.08 120.40 118.44 1xb9 s VAL 35 Ca -0.11 -0.68 -0.22 0.00 0.00 0.00 0.00 61.98 60.98 1xb9 s VAL 35 Cb -0.09 -1.06 -0.09 0.00 0.00 0.00 0.00 36.38 35.14 1xb9 s VAL 35 CO -0.00 0.36 1.04 -1.83 0.00 0.00 0.00 175.10 174.66 1xb9 s GLU 36 N -0.32 3.98 -0.11 2.72 1.03 -1.26 -4.98 118.70 119.76 1xb9 s GLU 36 Ca 0.05 1.41 -0.31 0.00 0.03 0.00 0.00 54.97 56.15 1xb9 s GLU 36 Cb -0.07 -2.29 -0.09 0.00 -0.80 0.00 0.00 34.13 30.88 1xb9 s GLU 36 CO -0.00 -0.28 2.05 -3.47 -1.33 0.00 0.00 175.26 172.23 1xb9 n ASP 37 N -0.56 3.50 0.00 0.83 2.03 -1.26 -4.95 116.55 116.13 1xb9 n ASP 37 Ca 0.07 0.65 0.00 0.00 0.52 0.00 0.00 54.79 56.04 1xb9 n ASP 37 Cb 0.51 -1.47 0.00 0.00 -0.72 0.00 0.00 41.12 39.44 1xb9 n ASP 37 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1xb9 n ASP 38 N 8.85 0.47 0.10 1.67 3.85 -1.26 -5.00 116.55 125.22 1xb9 n ASP 38 Ca 0.26 0.00 0.12 0.00 -0.71 0.00 0.00 54.79 54.46 1xb9 n ASP 38 Cb 0.37 0.00 0.45 0.00 -1.35 0.00 0.00 41.12 40.60 1xb9 n ASP 38 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 1xb9 n GLU 39 N 0.00 0.17 -4.21 0.11 1.02 -1.26 -4.94 120.64 111.53 1xb9 n GLU 39 Ca 0.00 0.31 -0.23 0.00 -0.02 0.00 0.00 57.16 57.22 1xb9 n GLU 39 Cb 0.00 -1.77 -0.07 0.00 -0.02 0.00 0.00 31.44 29.57 1xb9 n GLU 39 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1xb9 s ASN 40 N -4.05 4.50 -0.08 1.62 0.01 -1.26 -4.86 114.94 110.82 1xb9 s ASN 40 Ca 0.07 -0.81 -0.18 0.00 -0.71 0.00 0.00 52.86 51.23 1xb9 s ASN 40 Cb 0.11 -0.70 -0.05 0.00 0.41 0.00 0.00 41.25 41.03 1xb9 s ASN 40 CO 0.44 -0.22 0.47 -0.70 -1.51 0.00 0.00 177.10 175.59 1xb9 s GLU 41 N -3.77 4.25 -0.02 -0.60 2.12 0.11 -4.94 118.70 115.84 1xb9 s GLU 41 Ca 0.35 0.47 0.08 0.00 0.36 0.00 0.00 54.97 56.23 1xb9 s GLU 41 Cb -0.03 -3.37 -0.02 0.00 0.26 0.00 0.00 34.13 30.97 1xb9 s GLU 41 CO 0.21 0.31 -0.25 -1.01 -0.54 0.00 0.00 175.26 173.98 1xb9 s HIS 42 N 0.12 2.28 -0.00 5.30 3.76 -1.26 -1.16 115.29 124.32 1xb9 s HIS 42 Ca 0.26 -0.46 0.01 0.00 -0.15 0.00 0.00 55.06 54.72 1xb9 s HIS 42 Cb -0.16 -1.47 -0.00 0.00 1.11 0.00 0.00 32.58 32.06 1xb9 s HIS 42 CO 0.12 -0.06 -0.03 -0.65 -0.85 0.00 0.00 174.74 173.27 1xb9 s GLN 43 N -0.54 0.26 -0.33 1.40 -1.52 -0.96 -4.46 119.66 113.50 1xb9 s GLN 43 Ca 0.08 -0.11 -0.20 0.00 -1.95 0.00 0.00 55.36 53.19 1xb9 s GLN 43 Cb -0.10 -0.26 -0.01 0.00 -0.22 0.00 0.00 33.01 32.43 1xb9 s GLN 43 CO -0.00 0.06 0.60 -1.17 -0.25 0.00 0.00 175.29 174.53 1xb9 s LEU 44 N -0.04 4.21 -0.48 2.90 2.96 -0.36 -0.86 118.68 127.01 1xb9 s LEU 44 Ca 0.01 0.25 -0.17 0.00 -0.22 0.00 0.00 54.13 54.00 1xb9 s LEU 44 Cb -0.02 -2.75 0.06 0.00 0.50 0.00 0.00 46.19 43.99 1xb9 s LEU 44 CO -0.00 -0.51 0.48 -0.55 -1.32 0.00 0.00 176.35 174.45 1xb9 s SER 45 N 1.71 6.18 -0.02 3.68 0.15 0.75 -0.09 113.70 126.05 1xb9 s SER 45 Ca 0.23 -1.13 -0.30 0.00 0.70 0.00 0.00 55.95 55.46 1xb9 s SER 45 Cb -0.15 -2.23 -0.04 0.00 -1.71 0.00 0.00 66.02 61.89 1xb9 s SER 45 CO 0.13 -0.73 1.29 -0.76 1.20 0.00 0.00 173.24 174.37 1xb9 s LEU 46 N 2.04 4.30 -0.18 3.45 1.43 -0.29 -1.15 118.68 128.27 1xb9 s LEU 46 Ca 0.09 1.96 -0.08 0.00 -1.03 0.00 0.00 54.13 55.07 1xb9 s LEU 46 Cb -0.22 -3.56 -0.08 0.00 0.03 0.00 0.00 46.19 42.36 1xb9 s LEU 46 CO 0.09 -0.64 -0.22 0.54 0.23 0.00 0.00 176.35 176.35 1xb9 n ARG 47 N 5.18 0.39 -3.96 1.70 5.12 -0.23 -1.07 116.66 123.79 1xb9 n ARG 47 Ca 0.12 0.16 -0.09 0.00 -1.93 0.00 0.00 57.85 56.10 1xb9 n ARG 47 Cb 0.45 -1.18 -0.10 0.00 -1.16 0.00 0.00 32.46 30.47 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 -2.34 0.12 -0.10 0.55 -4.23 -1.00 -0.16 115.64 108.48 1xb9 s THR 48 Ca -0.25 -1.00 0.03 0.00 -1.18 0.00 0.00 61.69 59.28 1xb9 s THR 48 Cb 0.09 -0.56 0.01 0.00 1.34 0.00 0.00 72.50 73.38 1xb9 s THR 48 CO 0.33 -0.55 -0.18 -0.69 -0.54 0.00 0.00 174.62 172.99 1xb9 s VAL 49 N -1.95 1.69 -0.01 2.29 1.01 0.07 -0.94 120.40 122.56 1xb9 s VAL 49 Ca -0.11 -0.78 -0.02 0.00 0.00 0.00 0.00 61.98 61.07 1xb9 s VAL 49 Cb -0.06 -1.50 0.00 0.00 0.00 0.00 0.00 36.38 34.82 1xb9 s VAL 49 CO -0.02 0.48 0.05 -0.94 0.00 0.00 0.00 175.10 174.66 1xb9 s SER 50 N 0.71 -0.01 0.07 3.32 1.04 -0.03 -0.91 113.70 117.90 1xb9 s SER 50 Ca -0.12 0.01 -0.16 0.00 0.48 0.00 0.00 55.95 56.16 1xb9 s SER 50 Cb -0.16 0.11 -0.06 0.00 0.10 0.00 0.00 66.02 66.01 1xb9 s SER 50 CO 0.02 -0.08 0.51 -0.76 0.98 0.00 0.00 173.24 173.92 1xb9 s LEU 51 N -0.25 4.45 0.68 2.42 1.43 0.34 -0.36 118.68 127.40 1xb9 s LEU 51 Ca -0.03 1.10 -0.11 0.00 -1.03 0.00 0.00 54.13 54.06 1xb9 s LEU 51 Cb -0.02 -2.91 -0.00 0.00 0.03 0.00 0.00 46.19 43.28 1xb9 s LEU 51 CO 0.00 0.24 1.07 -0.83 0.23 0.00 0.00 176.35 177.05 1xb9 s GLY 52 N -1.31 1.64 0.57 -3.19 0.00 -0.75 -4.95 107.32 99.34 1xb9 s GLY 52 Ca 0.30 -0.18 0.32 0.00 0.00 0.00 0.00 44.72 45.16 1xb9 s GLY 52 CO 0.17 0.15 2.15 0.00 0.00 0.00 0.00 173.10 175.57 1xb9 h ALA 53 N -0.57 1.20 -0.01 3.20 0.00 -1.97 -2.07 119.26 119.04 1xb9 h ALA 53 Ca -0.45 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1xb9 h ALA 53 Cb 1.23 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1xb9 h ALA 53 CO 0.62 0.08 -0.05 -1.13 0.00 0.00 0.00 179.25 178.77 1xb9 n SER 54 N -3.45 0.66 -4.77 0.00 3.41 -1.26 -4.92 113.62 103.29 1xb9 n SER 54 Ca -0.02 -0.98 -0.40 0.00 -0.26 0.00 0.00 58.87 57.21 1xb9 n SER 54 Cb 0.19 -0.02 -0.02 0.00 -0.26 0.00 0.00 64.21 64.10 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 -2.20 3.39 0.47 7.33 0.00 -0.78 -4.83 121.76 125.15 1xb9 s ALA 55 Ca 0.37 1.22 -0.23 0.00 0.00 0.00 0.00 51.96 53.32 1xb9 s ALA 55 Cb 0.21 -3.47 -0.07 0.00 0.00 0.00 0.00 23.12 19.79 1xb9 s ALA 55 CO 0.40 -0.68 1.19 0.15 0.00 0.00 0.00 175.76 176.82 1xb9 s LYS 56 N -1.97 3.67 -1.02 0.00 1.02 -1.26 -4.90 119.74 115.28 1xb9 s LYS 56 Ca 0.52 1.82 -0.20 0.00 0.02 0.00 0.00 55.97 58.13 1xb9 s LYS 56 Cb -0.38 -2.37 -0.09 0.00 -0.52 0.00 0.00 37.83 34.47 1xb9 s LYS 56 CO 0.50 -0.64 2.00 -3.47 -0.92 0.00 0.00 175.35 172.81 1xb9 n ASP 57 N -0.59 3.05 -4.04 2.83 2.03 -1.26 -4.64 116.55 113.94 1xb9 n ASP 57 Ca 0.08 -2.74 -0.10 0.00 0.52 0.00 0.00 54.79 52.55 1xb9 n ASP 57 Cb 0.48 -1.35 -0.07 0.00 -0.72 0.00 0.00 41.12 39.45 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 4.64 1.24 0.13 -0.67 -1.05 -1.26 -4.94 118.70 116.78 1xb9 s GLU 58 Ca 0.56 -1.31 -0.35 0.00 -0.15 0.00 0.00 54.97 53.71 1xb9 s GLU 58 Cb 0.12 0.36 -0.15 0.00 -0.44 0.00 0.00 34.13 34.02 1xb9 s GLU 58 CO 0.06 -0.45 1.44 -0.11 0.95 0.00 0.00 175.26 177.15 1xb9 n LEU 59 N -0.26 2.35 -4.37 1.83 0.00 -1.26 -4.45 117.00 110.84 1xb9 n LEU 59 Ca -0.04 1.11 -0.33 0.00 0.00 0.00 0.00 56.01 56.75 1xb9 n LEU 59 Cb 0.63 -1.31 -0.15 0.00 0.00 0.00 0.00 43.42 42.60 1xb9 n LEU 59 CO 0.26 -0.70 -0.48 -1.00 0.00 0.00 0.00 177.39 175.48 1xb9 s HIS 60 N 0.61 2.71 -0.11 1.96 3.76 0.12 -3.61 115.29 120.73 1xb9 s HIS 60 Ca 0.81 -0.57 0.03 0.00 -0.15 0.00 0.00 55.06 55.18 1xb9 s HIS 60 Cb -0.81 -1.74 0.00 0.00 1.11 0.00 0.00 32.58 31.14 1xb9 s HIS 60 CO 0.43 -0.13 -0.22 0.08 -0.85 0.00 0.00 174.74 174.05 1xb9 s VAL 61 N -0.00 1.97 -0.11 -0.90 1.01 -0.79 -0.51 120.40 121.07 1xb9 s VAL 61 Ca -0.05 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 61.00 1xb9 s VAL 61 Cb -0.14 -1.72 -0.01 0.00 0.00 0.00 0.00 36.38 34.51 1xb9 s VAL 61 CO 0.04 0.54 -0.19 -0.69 0.00 0.00 0.00 175.10 174.80 1xb9 s VAL 62 N 0.52 2.50 0.23 2.92 1.01 -0.42 -1.14 120.40 126.02 1xb9 s VAL 62 Ca -0.15 -0.86 0.11 0.00 0.00 0.00 0.00 61.98 61.08 1xb9 s VAL 62 Cb -0.17 -2.00 -0.05 0.00 0.00 0.00 0.00 36.38 34.16 1xb9 s VAL 62 CO 0.05 0.54 -0.21 -1.83 0.00 0.00 0.00 175.10 173.66 1xb9 s GLU 63 N 0.33 1.55 -0.03 2.72 -1.05 0.02 -0.10 118.70 122.13 1xb9 s GLU 63 Ca -0.15 -1.63 0.04 0.00 -0.15 0.00 0.00 54.97 53.08 1xb9 s GLU 63 Cb -0.17 -1.70 -0.03 0.00 -0.44 0.00 0.00 34.13 31.79 1xb9 s GLU 63 CO 0.07 0.34 -0.13 0.00 0.95 0.00 0.00 175.26 176.49 1xb9 s ALA 64 N -2.19 2.73 -0.14 -0.84 0.00 -0.11 -0.93 121.76 120.27 1xb9 s ALA 64 Ca 0.25 -1.00 -0.00 0.00 0.00 0.00 0.00 51.96 51.20 1xb9 s ALA 64 Cb -0.06 -0.98 0.03 0.00 0.00 0.00 0.00 23.12 22.11 1xb9 s ALA 64 CO 0.12 0.57 -0.10 -2.00 0.00 0.00 0.00 175.76 174.35 1xb9 s GLU 65 N -0.90 1.80 0.03 0.00 2.12 0.69 -0.89 118.70 121.55 1xb9 s GLU 65 Ca 0.13 -0.45 -0.03 0.00 0.36 0.00 0.00 54.97 54.98 1xb9 s GLU 65 Cb -0.11 -1.90 0.01 0.00 0.26 0.00 0.00 34.13 32.40 1xb9 s GLU 65 CO 0.02 -0.30 0.15 0.41 -0.54 0.00 0.00 175.26 175.00 1xb9 n GLY 66 N 4.85 1.28 3.84 -1.50 0.00 -0.79 -1.40 105.19 111.47 1xb9 n GLY 66 Ca -0.14 -0.97 -0.34 0.00 0.00 0.00 0.00 46.02 44.58 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 -2.54 4.68 0.66 -0.61 -4.36 -1.26 -0.75 121.20 117.01 1xb9 s ILE 67 Ca 0.03 1.00 -0.10 0.00 -0.26 0.00 0.00 60.65 61.33 1xb9 s ILE 67 Cb -0.00 -3.70 0.15 0.00 1.25 0.00 0.00 42.46 40.15 1xb9 s ILE 67 CO 0.01 -0.01 0.90 -0.46 0.24 0.00 0.00 174.94 175.61 1xb9 n ASN 68 N 0.11 0.23 0.00 4.36 0.23 -0.08 -4.90 115.26 115.21 1xb9 n ASN 68 Ca 0.01 -1.42 0.05 0.00 -0.53 0.00 0.00 54.58 52.69 1xb9 n ASN 68 Cb 0.52 -0.67 0.25 0.00 -2.08 0.00 0.00 39.78 37.81 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 -3.14 0.00 -0.64 -2.53 0.18 -1.26 -2.24 117.16 107.53 1xb9 n TYR 69 Ca 0.12 0.00 0.07 0.00 1.88 0.00 0.00 57.90 59.96 1xb9 n TYR 69 Cb 0.41 -0.42 0.16 0.00 -0.38 0.00 0.00 39.34 39.11 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 -1.42 2.57 -0.99 -3.48 1.02 -1.26 -4.96 120.64 112.12 1xb9 n GLU 70 Ca 0.04 -2.37 0.00 0.00 -0.02 0.00 0.00 57.16 54.81 1xb9 n GLU 70 Cb 0.12 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.05 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 -0.45 0.45 3.79 0.62 0.00 -0.95 -5.01 105.19 103.64 1xb9 n GLY 71 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.35 4.43 -0.09 1.61 2.20 -1.26 -4.80 119.74 121.48 1xb9 s LYS 72 Ca 0.00 1.05 -0.30 0.00 -0.36 0.00 0.00 55.97 56.36 1xb9 s LYS 72 Cb 0.00 -3.06 -0.01 0.00 -1.51 0.00 0.00 37.83 33.24 1xb9 s LYS 72 CO 0.00 0.48 1.01 0.99 -0.36 0.00 0.00 175.35 177.46 1xb9 s THR 73 N -1.34 4.79 0.14 3.43 2.01 -1.26 -0.90 115.64 122.51 1xb9 s THR 73 Ca 0.40 2.04 0.08 0.00 0.31 0.00 0.00 61.69 64.52 1xb9 s THR 73 Cb -0.20 -4.31 -0.04 0.00 0.01 0.00 0.00 72.50 67.96 1xb9 s THR 73 CO 0.24 0.03 -0.18 0.27 -0.69 0.00 0.00 174.62 174.28 1xb9 s ILE 74 N 1.87 1.70 -0.14 1.82 -4.36 0.07 -4.94 121.20 117.22 1xb9 s ILE 74 Ca 0.49 -1.79 -0.02 0.00 -0.26 0.00 0.00 60.65 59.06 1xb9 s ILE 74 Cb -0.19 -1.72 -0.02 0.00 1.25 0.00 0.00 42.46 41.78 1xb9 s ILE 74 CO 0.19 -0.27 -0.07 -0.54 0.24 0.00 0.00 174.94 174.50 1xb9 s LYS 75 N -2.56 3.53 0.06 0.37 1.02 -1.26 -1.89 119.74 119.02 1xb9 s LYS 75 Ca 0.12 -0.57 0.07 0.00 0.02 0.00 0.00 55.97 55.62 1xb9 s LYS 75 Cb -0.07 -2.81 -0.03 0.00 -0.52 0.00 0.00 37.83 34.40 1xb9 s LYS 75 CO 0.05 0.27 -0.20 0.96 -0.92 0.00 0.00 175.35 175.51 1xb9 s ILE 76 N 0.27 1.63 -0.24 2.17 -4.36 -0.07 -4.97 121.20 115.62 1xb9 s ILE 76 Ca -0.05 -1.30 -0.21 0.00 -0.26 0.00 0.00 60.65 58.83 1xb9 s ILE 76 Cb -0.14 -1.44 -0.02 0.00 1.25 0.00 0.00 42.46 42.10 1xb9 s ILE 76 CO 0.04 0.10 0.66 0.00 0.24 0.00 0.00 174.94 175.97 1xb9 s ALA 77 N -0.93 3.60 -0.14 2.27 0.00 -1.26 -0.94 121.76 124.36 1xb9 s ALA 77 Ca 0.06 -0.36 -0.25 0.00 0.00 0.00 0.00 51.96 51.42 1xb9 s ALA 77 Cb -0.09 -3.05 -0.25 0.00 0.00 0.00 0.00 23.12 19.72 1xb9 s ALA 77 CO 0.03 -0.77 0.62 -0.07 0.00 0.00 0.00 175.76 175.56 1xb9 h LEU 78 N 8.81 0.10 -7.02 0.00 3.38 -0.85 -3.48 115.31 116.25 1xb9 h LEU 78 Ca -0.27 -0.85 -0.05 0.00 0.09 0.00 0.00 57.88 56.80 1xb9 h LEU 78 Cb 1.12 -0.03 -0.21 0.00 0.09 0.00 0.00 40.66 41.63 1xb9 h LEU 78 CO 0.79 1.25 0.12 0.00 0.09 0.00 0.00 178.44 180.68 1xb9 s ALA 79 N -2.31 -1.72 -0.25 1.53 0.00 -1.08 -5.00 121.76 112.93 1xb9 s ALA 79 Ca -0.21 1.75 -0.09 0.00 0.00 0.00 0.00 51.96 53.42 1xb9 s ALA 79 Cb 0.01 -0.79 -0.04 0.00 0.00 0.00 0.00 23.12 22.29 1xb9 s ALA 79 CO 0.69 -0.34 0.11 -1.12 0.00 0.00 0.00 175.76 175.10 1xb9 s SER 80 N -0.11 5.54 0.12 0.00 0.01 -1.26 -1.30 113.70 116.70 1xb9 s SER 80 Ca -0.03 -0.09 0.04 0.00 1.31 0.00 0.00 55.95 57.18 1xb9 s SER 80 Cb -0.03 -2.00 -0.04 0.00 0.21 0.00 0.00 66.02 64.15 1xb9 s SER 80 CO 0.04 -0.01 -0.10 -0.76 0.41 0.00 0.00 173.24 172.81 1xb9 s LEU 81 N 1.49 2.47 -0.24 2.44 1.02 0.34 -4.97 118.68 121.23 1xb9 s LEU 81 Ca 0.06 -0.91 -0.19 0.00 0.02 0.00 0.00 54.13 53.11 1xb9 s LEU 81 Cb -0.15 -0.33 0.07 0.00 0.02 0.00 0.00 46.19 45.79 1xb9 s LEU 81 CO 0.06 -0.29 0.61 -0.75 0.02 0.00 0.00 176.35 176.00 1xb9 s LYS 82 N -3.28 0.68 0.37 1.70 2.20 -0.87 0.15 119.74 120.69 1xb9 s LYS 82 Ca 0.11 0.96 0.15 0.00 -0.36 0.00 0.00 55.97 56.83 1xb9 s LYS 82 Cb -0.00 0.25 1.01 0.00 -1.51 0.00 0.00 37.83 37.57 1xb9 s LYS 82 CO 0.00 -0.11 1.77 -1.35 -0.36 0.00 0.00 175.35 175.30 1xb9 h PRO 83 N 5.91 0.47 -0.02 4.03 0.11 -1.82 -0.75 132.00 139.93 1xb9 h PRO 83 Ca -0.30 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1xb9 h PRO 83 Cb 1.19 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1xb9 h PRO 83 CO 0.15 0.31 -0.12 -1.13 -0.21 0.00 0.00 178.00 177.00 1xb9 n SER 84 N -4.68 2.42 -0.02 -2.05 3.41 -1.26 -4.25 113.62 107.19 1xb9 n SER 84 Ca 0.25 -1.74 -0.03 0.00 -0.26 0.00 0.00 58.87 57.09 1xb9 n SER 84 Cb 0.79 0.11 -0.02 0.00 -0.26 0.00 0.00 64.21 64.84 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 0.73 0.21 -2.72 -3.33 0.31 -0.76 -5.02 118.33 107.74 1xb9 n VAL 85 Ca 0.14 -0.07 -0.03 0.00 -0.01 0.00 0.00 64.34 64.36 1xb9 n VAL 85 Cb 0.52 -0.90 0.02 0.00 -0.91 0.00 0.00 33.84 32.57 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 -2.07 0.56 0.29 5.55 0.74 -0.36 -5.00 119.66 119.37 1xb9 s GLN 86 Ca -0.05 -0.54 0.26 0.00 0.05 0.00 0.00 55.36 55.08 1xb9 s GLN 86 Cb 0.01 -0.02 0.86 0.00 1.10 0.00 0.00 33.01 34.96 1xb9 s GLN 86 CO 0.08 -0.70 1.76 -1.00 -0.55 0.00 0.00 175.29 174.88 1xb9 h PRO 87 N 4.63 0.00 -3.94 1.67 0.13 -1.73 -2.31 132.00 130.45 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 1.15 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.01 1xb9 h PRO 87 CO -0.06 0.00 -0.72 0.99 -0.23 0.00 0.00 178.00 177.98 1xb9 s THR 88 N -3.24 0.13 -0.03 1.56 2.01 -1.26 -0.50 115.64 114.30 1xb9 s THR 88 Ca 0.07 -0.28 0.04 0.00 0.31 0.00 0.00 61.69 61.83 1xb9 s THR 88 Cb 0.10 -0.16 -0.00 0.00 0.01 0.00 0.00 72.50 72.45 1xb9 s THR 88 CO 0.54 -0.09 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.54 1xb9 s VAL 89 N -0.38 1.20 -0.25 3.82 1.01 -0.08 -5.00 120.40 120.72 1xb9 s VAL 89 Ca -0.03 -0.60 -0.14 0.00 0.00 0.00 0.00 61.98 61.21 1xb9 s VAL 89 Cb -0.03 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 1xb9 s VAL 89 CO -0.00 0.35 0.35 -0.55 0.00 0.00 0.00 175.10 175.25 1xb9 s SER 90 N 0.04 6.28 0.37 3.32 0.15 -1.26 -0.75 113.70 121.85 1xb9 s SER 90 Ca -0.02 0.32 0.21 0.00 0.70 0.00 0.00 55.95 57.16 1xb9 s SER 90 Cb -0.10 -2.20 0.23 0.00 -1.71 0.00 0.00 66.02 62.24 1xb9 s SER 90 CO 0.01 -0.12 1.48 -0.07 1.20 0.00 0.00 173.24 175.75 1xb9 h LEU 91 N 8.18 0.00 0.01 3.45 3.38 -0.81 -3.49 115.31 126.03 1xb9 h LEU 91 Ca -0.34 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.63 1xb9 h LEU 91 Cb 1.16 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 1xb9 h LEU 91 CO 0.66 0.10 -0.00 0.61 0.09 0.00 0.00 178.44 179.90 1xb9 n GLY 92 N 1.14 0.43 0.01 0.83 0.00 -1.22 -3.99 105.19 102.39 1xb9 n GLY 92 Ca 0.03 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.32 0.74 3.56 -0.02 0.00 -0.49 -5.01 105.19 101.65 1xb9 n GLY 93 Ca -0.00 -0.49 -0.41 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.60 2.27 0.14 1.61 5.99 -0.24 -4.80 117.98 121.35 1xb9 s PHE 94 Ca 0.00 0.17 -0.26 0.00 0.00 0.00 0.00 56.93 56.84 1xb9 s PHE 94 Cb 0.00 -4.53 -0.07 0.00 0.00 0.00 0.00 43.02 38.42 1xb9 s PHE 94 CO 0.00 -2.02 0.79 -1.21 -0.00 0.00 0.00 175.22 172.79 1xb9 s GLU 95 N 5.72 4.57 -0.05 10.12 2.02 -1.26 -1.14 118.70 138.69 1xb9 s GLU 95 Ca 0.42 1.17 0.00 0.00 0.02 0.00 0.00 54.97 56.58 1xb9 s GLU 95 Cb -0.09 -3.29 0.03 0.00 0.10 0.00 0.00 34.13 30.87 1xb9 s GLU 95 CO 0.18 0.48 -0.01 0.42 0.02 0.00 0.00 175.26 176.35 1xb9 s ILE 96 N -0.81 0.36 0.14 -1.63 1.01 0.86 -4.98 121.20 116.15 1xb9 s ILE 96 Ca 0.37 0.03 -0.30 0.00 0.00 0.00 0.00 60.65 60.75 1xb9 s ILE 96 Cb -0.23 -0.45 -0.07 0.00 0.01 0.00 0.00 42.46 41.73 1xb9 s ILE 96 CO 0.26 0.21 1.06 -0.89 0.00 0.00 0.00 174.94 175.58 1xb9 s THR 97 N 1.26 4.12 0.60 2.92 2.01 -1.26 -1.23 115.64 124.06 1xb9 s THR 97 Ca -0.06 1.76 -0.17 0.00 0.31 0.00 0.00 61.69 63.53 1xb9 s THR 97 Cb -0.13 -4.13 -0.03 0.00 0.01 0.00 0.00 72.50 68.22 1xb9 s THR 97 CO -0.02 0.27 1.11 -2.84 -0.69 0.00 0.00 174.62 172.45 1xb9 s PRO 98 N -0.07 3.09 0.38 4.92 0.02 -1.26 -4.50 135.00 137.57 1xb9 s PRO 98 Ca 0.50 1.44 -0.22 0.00 0.02 0.00 0.00 61.00 62.74 1xb9 s PRO 98 Cb -0.27 -1.98 -0.10 0.00 0.02 0.00 0.00 34.50 32.16 1xb9 s PRO 98 CO 0.32 -1.03 0.92 -1.25 -0.33 0.00 0.00 177.00 175.64 1xb9 s PRO 99 N -3.78 4.33 -0.07 5.54 0.05 -1.26 -4.98 135.00 134.82 1xb9 s PRO 99 Ca 0.69 1.14 -0.07 0.00 0.05 0.00 0.00 61.00 62.81 1xb9 s PRO 99 Cb -0.21 -2.43 0.02 0.00 0.05 0.00 0.00 34.50 31.93 1xb9 s PRO 99 CO 0.35 0.10 0.20 0.54 0.05 0.00 0.00 177.00 178.24 1xb9 s VAL 100 N -1.95 -0.00 -0.10 -0.36 0.11 -0.59 -4.64 120.40 112.86 1xb9 s VAL 100 Ca 0.57 0.01 -0.03 0.00 -2.93 0.00 0.00 61.98 59.59 1xb9 s VAL 100 Cb -0.13 -0.28 -0.03 0.00 -1.53 0.00 0.00 36.38 34.41 1xb9 s VAL 100 CO 0.17 0.00 0.02 -0.63 -3.33 0.00 0.00 175.10 171.34 1xb9 s ILE 101 N 0.15 4.48 -0.09 7.04 1.01 -0.50 -0.02 121.20 133.27 1xb9 s ILE 101 Ca -0.00 -0.18 0.02 0.00 0.00 0.00 0.00 60.65 60.48 1xb9 s ILE 101 Cb -0.02 -2.91 -0.02 0.00 0.01 0.00 0.00 42.46 39.52 1xb9 s ILE 101 CO -0.00 0.59 -0.13 -0.76 0.00 0.00 0.00 174.94 174.64 1xb9 s LEU 102 N -0.74 2.74 -0.04 2.97 1.43 -0.12 -0.22 118.68 124.71 1xb9 s LEU 102 Ca 0.12 -0.25 -0.02 0.00 -1.03 0.00 0.00 54.13 52.95 1xb9 s LEU 102 Cb -0.12 -1.59 0.03 0.00 0.03 0.00 0.00 46.19 44.54 1xb9 s LEU 102 CO 0.02 0.26 0.08 -0.60 0.23 0.00 0.00 176.35 176.34 1xb9 s ARG 103 N -0.20 0.04 -0.89 1.70 3.52 -0.11 -0.89 118.95 122.13 1xb9 s ARG 103 Ca 0.00 0.22 -0.22 0.00 -0.13 0.00 0.00 55.73 55.60 1xb9 s ARG 103 Cb -0.13 -0.14 0.08 0.00 -1.56 0.00 0.00 34.95 33.20 1xb9 s ARG 103 CO 0.03 -0.12 1.22 -1.17 -0.81 0.00 0.00 175.30 174.45 1xb9 s LEU 104 N 0.78 4.20 0.12 -0.88 0.20 0.16 -0.80 118.68 122.45 1xb9 s LEU 104 Ca -0.06 -1.47 -0.11 0.00 0.69 0.00 0.00 54.13 53.18 1xb9 s LEU 104 Cb -0.09 -2.48 -0.11 0.00 -0.43 0.00 0.00 46.19 43.09 1xb9 s LEU 104 CO -0.03 -1.37 1.35 0.50 -0.29 0.00 0.00 176.35 176.51 1xb9 h LYS 105 N 9.43 0.78 -4.07 1.98 3.64 -1.45 -3.45 116.57 123.43 1xb9 h LYS 105 Ca 0.04 -0.60 -0.16 0.00 -1.27 0.00 0.00 60.65 58.66 1xb9 h LYS 105 Cb 1.03 0.11 -0.19 0.00 -0.41 0.00 0.00 32.23 32.77 1xb9 h LYS 105 CO 1.25 1.21 -0.70 -1.54 -2.27 0.00 0.00 179.45 177.40 1xb9 s SER 106 N -7.06 0.33 0.00 4.20 1.04 -1.15 -4.95 113.70 106.10 1xb9 s SER 106 Ca -0.10 -0.63 0.00 0.00 0.48 0.00 0.00 55.95 55.70 1xb9 s SER 106 Cb 0.09 0.12 0.00 0.00 0.10 0.00 0.00 66.02 66.33 1xb9 s SER 106 CO 0.90 -0.37 0.00 0.61 0.98 0.00 0.00 173.24 175.35 1xb9 n GLY 107 N 1.22 0.95 0.14 7.32 0.00 -1.24 -1.88 105.19 111.70 1xb9 n GLY 107 Ca -0.21 -1.87 -0.22 0.00 0.00 0.00 0.00 46.02 43.71 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 0.73 -2.26 1.61 4.64 -1.92 -3.43 113.55 112.92 1xb9 h SER 108 Ca 0.00 -0.77 0.00 0.00 -0.47 0.00 0.00 61.79 60.55 1xb9 h SER 108 Cb 0.00 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 61.85 1xb9 h SER 108 CO 0.00 1.60 0.00 0.61 -0.87 0.00 0.00 176.83 178.17 1xb9 n GLY 109 N 1.63 -1.40 3.76 -0.77 0.00 -1.26 -1.54 105.19 105.60 1xb9 n GLY 109 Ca -0.14 -1.22 -0.38 0.00 0.00 0.00 0.00 46.02 44.28 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 0.00 3.52 -0.06 1.61 0.02 -1.26 -4.06 135.00 134.77 1xb9 s PRO 110 Ca 0.00 2.01 0.03 0.00 0.02 0.00 0.00 61.00 63.05 1xb9 s PRO 110 Cb 0.00 -2.38 0.01 0.00 0.02 0.00 0.00 34.50 32.15 1xb9 s PRO 110 CO 0.00 -0.82 -0.14 0.08 -0.33 0.00 0.00 177.00 175.80 1xb9 s VAL 111 N -1.41 1.22 -0.02 3.83 1.01 0.42 -1.80 120.40 123.64 1xb9 s VAL 111 Ca 0.66 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 62.11 1xb9 s VAL 111 Cb -0.35 -1.09 -0.03 0.00 0.00 0.00 0.00 36.38 34.91 1xb9 s VAL 111 CO 0.42 0.37 -0.01 -0.31 0.00 0.00 0.00 175.10 175.57 1xb9 s TYR 112 N 0.51 3.07 -0.08 5.22 1.51 0.51 -0.41 117.35 127.68 1xb9 s TYR 112 Ca -0.12 0.09 0.03 0.00 -1.01 0.00 0.00 57.07 56.05 1xb9 s TYR 112 Cb -0.15 -1.69 0.01 0.00 -0.11 0.00 0.00 41.96 40.02 1xb9 s TYR 112 CO 0.04 0.45 -0.15 0.08 -1.11 0.00 0.00 175.55 174.85 1xb9 s VAL 113 N -1.02 1.39 0.20 0.71 1.01 -0.49 -0.85 120.40 121.35 1xb9 s VAL 113 Ca 0.17 -0.62 0.08 0.00 0.00 0.00 0.00 61.98 61.61 1xb9 s VAL 113 Cb -0.11 -1.24 -0.05 0.00 0.00 0.00 0.00 36.38 34.98 1xb9 s VAL 113 CO 0.08 0.41 -0.15 -0.94 0.00 0.00 0.00 175.10 174.50 1xb9 s SER 114 N 0.59 2.58 0.00 3.32 1.04 -0.11 -1.63 113.70 119.49 1xb9 s SER 114 Ca -0.15 -1.00 0.00 0.00 0.48 0.00 0.00 55.95 55.28 1xb9 s SER 114 Cb -0.16 -0.14 0.00 0.00 0.10 0.00 0.00 66.02 65.82 1xb9 s SER 114 CO 0.05 -0.15 0.00 0.61 0.98 0.00 0.00 173.24 174.73 1xb9 n GLY 115 N -0.28 0.78 3.23 7.32 0.00 -0.42 -1.07 105.19 114.74 1xb9 n GLY 115 Ca -0.09 -0.60 -0.23 0.00 0.00 0.00 0.00 46.02 45.11 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 0.99 1.15 -0.40 1.61 -0.21 -0.30 -0.62 119.66 121.87 1xb9 s GLN 116 Ca 0.00 -0.96 -0.12 0.00 0.02 0.00 0.00 55.36 54.30 1xb9 s GLN 116 Cb 0.00 -1.27 0.04 0.00 1.00 0.00 0.00 33.01 32.78 1xb9 s GLN 116 CO 0.00 0.31 0.26 -1.58 -2.12 0.00 0.00 175.29 172.15 1xb9 s HIS 117 N -0.96 3.26 -0.10 0.91 5.65 0.69 -0.18 115.29 124.57 1xb9 s HIS 117 Ca 0.05 -0.99 -0.09 0.00 0.25 0.00 0.00 55.06 54.27 1xb9 s HIS 117 Cb -0.09 -2.64 -0.05 0.00 -1.18 0.00 0.00 32.58 28.63 1xb9 s HIS 117 CO 0.02 -0.69 0.22 -0.51 -0.65 0.00 0.00 174.74 173.13 1xb9 s LEU 118 N 1.56 4.39 -0.08 8.88 1.43 -0.04 -1.29 118.68 133.55 1xb9 s LEU 118 Ca 0.03 0.58 0.01 0.00 -1.03 0.00 0.00 54.13 53.72 1xb9 s LEU 118 Cb -0.20 -2.22 0.02 0.00 0.03 0.00 0.00 46.19 43.82 1xb9 s LEU 118 CO 0.06 0.36 -0.08 -0.69 0.23 0.00 0.00 176.35 176.23 1xb9 s VAL 119 N -0.88 0.91 0.02 -1.59 1.01 -0.46 -2.28 120.40 117.13 1xb9 s VAL 119 Ca 0.17 -0.30 -0.02 0.00 0.00 0.00 0.00 61.98 61.83 1xb9 s VAL 119 Cb -0.13 -0.90 -0.01 0.00 0.00 0.00 0.00 36.38 35.34 1xb9 s VAL 119 CO 0.06 0.32 0.02 0.00 0.00 0.00 0.00 175.10 175.50 1xb9 s ALA 120 N 1.13 0.00 -2.00 5.51 0.00 -0.31 0.14 121.76 126.24 1xb9 s ALA 120 Ca -0.06 -0.48 0.08 0.00 0.00 0.00 0.00 51.96 51.49 1xb9 s ALA 120 Cb -0.14 0.15 0.47 0.00 0.00 0.00 0.00 23.12 23.60 1xb9 s ALA 120 CO -0.01 -0.18 0.93 1.28 0.00 0.00 0.00 175.76 177.77