#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xe0 s GLN 16 N 0.00 3.82 -0.08 4.33 -0.21 -0.56 -4.84 119.66 122.12 1xe0 s GLN 16 Ca 0.00 1.07 0.01 0.00 0.02 0.00 0.00 55.36 56.46 1xe0 s GLN 16 Cb 0.00 -2.11 0.02 0.00 1.00 0.00 0.00 33.01 31.92 1xe0 s GLN 16 CO 0.00 -0.39 -0.08 1.21 -2.12 0.00 0.00 175.29 173.91 1xe0 s ASN 17 N -2.80 1.74 0.13 5.90 2.47 -1.26 -1.55 114.94 119.58 1xe0 s ASN 17 Ca 0.61 -0.25 0.07 0.00 0.42 0.00 0.00 52.86 53.71 1xe0 s ASN 17 Cb -0.12 -0.73 -0.04 0.00 -1.45 0.00 0.00 41.25 38.91 1xe0 s ASN 17 CO 0.29 -0.05 -0.16 -0.36 -3.72 0.00 0.00 177.10 173.10 1xe0 s PHE 18 N 1.16 1.59 0.31 0.43 0.40 -0.33 -4.97 117.98 116.57 1xe0 s PHE 18 Ca -0.06 -0.51 -0.29 0.00 -0.60 0.00 0.00 56.93 55.47 1xe0 s PHE 18 Cb -0.14 -0.82 -0.10 0.00 0.51 0.00 0.00 43.02 42.47 1xe0 s PHE 18 CO -0.02 0.22 1.33 -0.51 0.70 0.00 0.00 175.22 176.94 1xe0 s LEU 19 N -2.46 4.42 -0.01 -0.37 1.43 -1.26 -0.52 118.68 119.91 1xe0 s LEU 19 Ca 0.11 2.66 0.05 0.00 -1.03 0.00 0.00 54.13 55.91 1xe0 s LEU 19 Cb -0.06 -3.64 -0.01 0.00 0.03 0.00 0.00 46.19 42.51 1xe0 s LEU 19 CO 0.04 -0.56 -0.15 0.12 0.23 0.00 0.00 176.35 176.03 1xe0 s PHE 20 N -0.85 1.37 0.08 0.29 5.36 0.39 -4.59 117.98 120.04 1xe0 s PHE 20 Ca 0.51 -0.26 -0.21 0.00 -0.96 0.00 0.00 56.93 56.01 1xe0 s PHE 20 Cb -0.40 -0.88 0.05 0.00 -0.34 0.00 0.00 43.02 41.46 1xe0 s PHE 20 CO 0.50 -0.02 0.51 0.20 -1.46 0.00 0.00 175.22 174.95 1xe0 s GLY 21 N -0.40 -0.43 0.19 13.12 0.00 -1.26 -0.76 107.32 117.77 1xe0 s GLY 21 Ca 0.06 0.44 -0.13 0.00 0.00 0.00 0.00 44.72 45.09 1xe0 s GLY 21 CO -0.00 0.14 0.40 0.00 0.00 0.00 0.00 173.10 173.63 1xe0 s GLU 23 N -3.94 2.63 -0.04 0.00 2.12 -1.26 -1.08 118.70 117.12 1xe0 s GLU 23 Ca 0.15 -0.88 0.06 0.00 0.36 0.00 0.00 54.97 54.66 1xe0 s GLU 23 Cb 0.01 -2.21 -0.01 0.00 0.26 0.00 0.00 34.13 32.18 1xe0 s GLU 23 CO 0.00 0.38 -0.23 -0.51 -0.54 0.00 0.00 175.26 174.36 1xe0 s LEU 24 N -0.14 2.03 0.28 2.70 1.43 0.13 -4.91 118.68 120.20 1xe0 s LEU 24 Ca -0.04 -0.45 -0.10 0.00 -1.03 0.00 0.00 54.13 52.51 1xe0 s LEU 24 Cb -0.14 -1.23 0.00 0.00 0.03 0.00 0.00 46.19 44.85 1xe0 s LEU 24 CO 0.04 0.24 0.50 -1.59 0.23 0.00 0.00 176.35 175.76 1xe0 s LYS 25 N -0.25 1.68 0.39 1.70 -2.85 0.50 -1.32 119.74 119.59 1xe0 s LYS 25 Ca 0.01 -1.39 0.09 0.00 -1.00 0.00 0.00 55.97 53.68 1xe0 s LYS 25 Cb -0.12 0.47 0.86 0.00 -2.06 0.00 0.00 37.83 36.99 1xe0 s LYS 25 CO 0.02 -0.71 1.96 0.00 0.10 0.00 0.00 175.35 176.72 1xe0 h ALA 26 N 2.21 1.84 -0.40 0.59 0.00 -1.41 0.76 119.26 122.84 1xe0 h ALA 26 Ca -0.27 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1xe0 h ALA 26 Cb 1.25 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1xe0 h ALA 26 CO 0.37 0.03 0.00 -0.40 0.00 0.00 0.00 179.25 179.25 1xe0 n ASP 27 N -4.48 2.53 -2.75 0.00 3.85 -1.26 -4.53 116.55 109.90 1xe0 n ASP 27 Ca 0.11 -1.93 -0.04 0.00 -0.71 0.00 0.00 54.79 52.22 1xe0 n ASP 27 Cb 0.30 -0.26 0.02 0.00 -1.35 0.00 0.00 41.12 39.83 1xe0 n ASP 27 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.20 177.36 1xe0 n LYS 28 N 0.88 0.54 0.13 0.11 0.00 0.24 -5.04 118.16 115.02 1xe0 n LYS 28 Ca 0.17 -1.93 0.12 0.00 0.00 0.00 0.00 58.31 56.66 1xe0 n LYS 28 Cb 0.43 -1.38 0.12 0.00 0.00 0.00 0.00 35.03 34.19 1xe0 n LYS 28 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 1xe0 h LYS 29 N 4.83 0.00 -5.91 1.64 1.57 -1.73 0.14 116.57 117.11 1xe0 h LYS 29 Ca 0.03 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.26 1xe0 h LYS 29 Cb 1.10 0.00 -0.26 0.00 0.08 0.00 0.00 32.23 33.16 1xe0 h LYS 29 CO 0.04 0.00 -0.83 -1.21 -0.57 0.00 0.00 179.45 176.88 1xe0 s GLU 30 N -3.26 1.29 -0.11 3.15 2.02 -1.26 -0.24 118.70 120.29 1xe0 s GLU 30 Ca 0.04 -0.89 0.01 0.00 0.02 0.00 0.00 54.97 54.15 1xe0 s GLU 30 Cb 0.09 -1.38 0.02 0.00 0.10 0.00 0.00 34.13 32.96 1xe0 s GLU 30 CO 0.72 0.35 -0.13 -0.47 0.02 0.00 0.00 175.26 175.75 1xe0 s TYR 31 N -0.80 1.87 -0.33 1.61 5.04 0.19 -4.99 117.35 119.94 1xe0 s TYR 31 Ca 0.06 -0.91 -0.14 0.00 -2.44 0.00 0.00 57.07 53.64 1xe0 s TYR 31 Cb -0.09 -1.39 -0.02 0.00 0.35 0.00 0.00 41.96 40.82 1xe0 s TYR 31 CO 0.02 -0.50 0.29 0.45 -1.34 0.00 0.00 175.55 174.47 1xe0 s SER 32 N 1.17 6.11 -0.36 4.32 0.15 -1.26 -1.01 113.70 122.83 1xe0 s SER 32 Ca -0.03 -0.30 -0.16 0.00 0.70 0.00 0.00 55.95 56.16 1xe0 s SER 32 Cb -0.14 -2.16 -0.00 0.00 -1.71 0.00 0.00 66.02 62.00 1xe0 s SER 32 CO -0.04 -0.26 0.40 0.12 1.20 0.00 0.00 173.24 174.65 1xe0 s PHE 33 N 1.85 3.20 0.04 3.44 5.36 -0.20 -5.00 117.98 126.67 1xe0 s PHE 33 Ca 0.09 -0.06 0.00 0.00 -0.96 0.00 0.00 56.93 56.00 1xe0 s PHE 33 Cb -0.17 -2.75 -0.03 0.00 -0.34 0.00 0.00 43.02 39.73 1xe0 s PHE 33 CO 0.11 -0.50 -0.04 -1.59 -1.46 0.00 0.00 175.22 171.74 1xe0 s LYS 34 N 2.09 0.52 -0.13 10.12 -2.85 -1.26 -1.33 119.74 126.90 1xe0 s LYS 34 Ca 0.13 -0.94 0.01 0.00 -1.00 0.00 0.00 55.97 54.17 1xe0 s LYS 34 Cb -0.16 0.04 0.02 0.00 -2.06 0.00 0.00 37.83 35.66 1xe0 s LYS 34 CO 0.12 -0.05 -0.13 0.08 0.10 0.00 0.00 175.35 175.48 1xe0 s VAL 35 N -2.57 1.40 0.35 1.79 1.01 -1.26 -5.09 120.40 116.03 1xe0 s VAL 35 Ca -0.04 -0.54 -0.27 0.00 0.00 0.00 0.00 61.98 61.13 1xe0 s VAL 35 Cb -0.02 -1.32 -0.12 0.00 0.00 0.00 0.00 36.38 34.92 1xe0 s VAL 35 CO -0.04 0.43 1.20 -0.62 0.00 0.00 0.00 175.10 176.07 1xe0 n GLU 36 N 4.63 1.87 0.00 2.72 1.02 -1.26 -4.87 120.64 124.74 1xe0 n GLU 36 Ca -0.17 0.66 0.00 0.00 -0.02 0.00 0.00 57.16 57.63 1xe0 n GLU 36 Cb 0.50 -2.21 0.00 0.00 -0.02 0.00 0.00 31.44 29.72 1xe0 n GLU 36 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1xe0 n ASP 37 N 0.76 0.00 0.00 1.62 8.00 -1.26 -5.10 116.55 120.57 1xe0 n ASP 37 Ca 0.06 0.30 0.00 0.00 0.71 0.00 0.00 54.79 55.87 1xe0 n ASP 37 Cb 0.36 -0.30 0.00 0.00 -0.02 0.00 0.00 41.12 41.16 1xe0 n ASP 37 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1xe0 n ASP 38 N -1.29 0.00 0.00 -2.24 9.92 -1.26 -5.04 116.55 116.64 1xe0 n ASP 38 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1xe0 n ASP 38 Cb 0.02 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.50 1xe0 n ASP 38 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1xe0 n ASN 40 N 0.00 1.18 -4.58 -2.24 3.02 -1.16 -5.29 115.26 106.18 1xe0 n ASN 40 Ca 0.00 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.21 1xe0 n ASN 40 Cb 0.00 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.06 1xe0 n ASN 40 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1xe0 s GLU 41 N -1.73 3.85 0.05 3.52 2.56 -0.59 -4.94 118.70 121.42 1xe0 s GLU 41 Ca 0.00 -0.41 0.06 0.00 0.00 0.00 0.00 54.97 54.62 1xe0 s GLU 41 Cb 0.00 -3.09 -0.03 0.00 2.00 0.00 0.00 34.13 33.00 1xe0 s GLU 41 CO 0.00 0.27 -0.14 -1.01 -0.56 0.00 0.00 175.26 173.81 1xe0 s HIS 42 N 0.35 2.66 -0.08 5.30 3.76 -1.26 -0.84 115.29 125.17 1xe0 s HIS 42 Ca 0.00 -0.19 -0.06 0.00 -0.15 0.00 0.00 55.06 54.65 1xe0 s HIS 42 Cb -0.13 -1.48 0.02 0.00 1.11 0.00 0.00 32.58 32.10 1xe0 s HIS 42 CO 0.01 0.32 0.20 -0.65 -0.85 0.00 0.00 174.74 173.77 1xe0 s GLN 43 N -1.61 0.22 -0.32 1.40 -1.52 -0.82 -4.47 119.66 112.53 1xe0 s GLN 43 Ca 0.16 0.32 -0.13 0.00 -1.95 0.00 0.00 55.36 53.76 1xe0 s GLN 43 Cb -0.11 0.06 -0.02 0.00 -0.22 0.00 0.00 33.01 32.72 1xe0 s GLN 43 CO 0.07 -0.06 0.27 -1.17 -0.25 0.00 0.00 175.29 174.16 1xe0 s LEU 44 N 0.36 4.37 -0.50 2.90 2.96 -0.08 -1.25 118.68 127.43 1xe0 s LEU 44 Ca -0.02 -0.24 -0.17 0.00 -0.22 0.00 0.00 54.13 53.48 1xe0 s LEU 44 Cb -0.03 -2.21 0.08 0.00 0.50 0.00 0.00 46.19 44.53 1xe0 s LEU 44 CO -0.01 -0.22 0.49 -0.55 -1.32 0.00 0.00 176.35 174.73 1xe0 s SER 45 N 1.73 6.18 0.03 3.68 0.15 0.12 0.09 113.70 125.68 1xe0 s SER 45 Ca 0.08 -1.34 -0.30 0.00 0.70 0.00 0.00 55.95 55.10 1xe0 s SER 45 Cb -0.17 -2.22 -0.04 0.00 -1.71 0.00 0.00 66.02 61.88 1xe0 s SER 45 CO 0.11 -0.78 1.01 -0.76 1.20 0.00 0.00 173.24 174.01 1xe0 s LEU 46 N 1.94 4.39 -0.15 3.45 1.43 0.31 -1.45 118.68 128.61 1xe0 s LEU 46 Ca 0.07 1.74 -0.09 0.00 -1.03 0.00 0.00 54.13 54.82 1xe0 s LEU 46 Cb -0.24 -3.58 -0.06 0.00 0.03 0.00 0.00 46.19 42.34 1xe0 s LEU 46 CO 0.07 -0.25 -0.22 0.54 0.23 0.00 0.00 176.35 176.72 1xe0 n ARG 47 N 3.67 0.35 -4.10 1.70 5.12 0.61 -1.47 116.66 122.54 1xe0 n ARG 47 Ca 0.06 0.15 -0.09 0.00 -1.93 0.00 0.00 57.85 56.03 1xe0 n ARG 47 Cb 0.50 -1.09 -0.10 0.00 -1.16 0.00 0.00 32.46 30.61 1xe0 n ARG 47 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1xe0 s THR 48 N -2.37 0.43 -0.06 0.55 -4.23 -0.90 -0.31 115.64 108.75 1xe0 s THR 48 Ca -0.22 -1.66 0.02 0.00 -1.18 0.00 0.00 61.69 58.65 1xe0 s THR 48 Cb 0.08 -1.32 0.01 0.00 1.34 0.00 0.00 72.50 72.61 1xe0 s THR 48 CO 0.29 -0.82 -0.13 -0.69 -0.54 0.00 0.00 174.62 172.73 1xe0 s VAL 49 N -3.20 1.17 0.03 2.29 1.01 -0.08 -1.00 120.40 120.61 1xe0 s VAL 49 Ca 0.04 -0.51 -0.08 0.00 0.00 0.00 0.00 61.98 61.43 1xe0 s VAL 49 Cb 0.03 -1.06 0.00 0.00 0.00 0.00 0.00 36.38 35.35 1xe0 s VAL 49 CO -0.06 0.36 0.16 -0.94 0.00 0.00 0.00 175.10 174.63 1xe0 s SER 50 N 0.58 0.05 -0.09 3.32 1.04 0.01 -1.30 113.70 117.31 1xe0 s SER 50 Ca -0.13 -0.33 -0.16 0.00 0.48 0.00 0.00 55.95 55.80 1xe0 s SER 50 Cb -0.15 0.25 -0.05 0.00 0.10 0.00 0.00 66.02 66.17 1xe0 s SER 50 CO 0.04 -0.49 0.41 -0.76 0.98 0.00 0.00 173.24 173.42 1xe0 s LEU 51 N -1.85 4.33 0.74 2.42 1.43 -0.22 -0.84 118.68 124.69 1xe0 s LEU 51 Ca -0.08 0.79 -0.11 0.00 -1.03 0.00 0.00 54.13 53.69 1xe0 s LEU 51 Cb -0.03 -2.58 0.03 0.00 0.03 0.00 0.00 46.19 43.64 1xe0 s LEU 51 CO -0.02 0.13 1.08 -0.83 0.23 0.00 0.00 176.35 176.94 1xe0 s GLY 52 N 0.03 1.64 0.56 -3.19 0.00 -0.00 -4.94 107.32 101.42 1xe0 s GLY 52 Ca 0.23 -0.16 0.24 0.00 0.00 0.00 0.00 44.72 45.03 1xe0 s GLY 52 CO 0.10 0.21 2.21 0.00 0.00 0.00 0.00 173.10 175.61 1xe0 h ALA 53 N -0.83 1.71 -0.00 3.20 0.00 -1.98 -1.90 119.26 119.46 1xe0 h ALA 53 Ca -0.45 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1xe0 h ALA 53 Cb 1.24 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1xe0 h ALA 53 CO 0.60 0.01 -0.27 -1.13 0.00 0.00 0.00 179.25 178.46 1xe0 n SER 54 N -4.13 0.31 -4.77 0.00 3.41 -1.26 -4.96 113.62 102.22 1xe0 n SER 54 Ca -0.03 0.02 -0.41 0.00 -0.26 0.00 0.00 58.87 58.19 1xe0 n SER 54 Cb 0.09 -0.08 -0.01 0.00 -0.26 0.00 0.00 64.21 63.96 1xe0 n SER 54 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xe0 s ALA 55 N -2.95 3.61 0.50 7.33 0.00 -0.72 -4.82 121.76 124.71 1xe0 s ALA 55 Ca 0.14 1.52 -0.21 0.00 0.00 0.00 0.00 51.96 53.42 1xe0 s ALA 55 Cb 0.18 -3.60 -0.07 0.00 0.00 0.00 0.00 23.12 19.63 1xe0 s ALA 55 CO 0.61 -0.97 1.10 0.21 0.00 0.00 0.00 175.76 176.71 1xe0 s LYS 56 N -1.56 3.62 -1.16 0.00 2.20 -1.26 -4.90 119.74 116.68 1xe0 s LYS 56 Ca 0.55 1.55 -0.22 0.00 -0.36 0.00 0.00 55.97 57.49 1xe0 s LYS 56 Cb -0.46 -2.13 -0.07 0.00 -1.51 0.00 0.00 37.83 33.66 1xe0 s LYS 56 CO 0.57 -0.61 1.91 -3.47 -0.36 0.00 0.00 175.35 173.39 1xe0 n ASP 57 N -0.98 3.30 -3.68 1.43 2.03 -1.26 -4.64 116.55 112.76 1xe0 n ASP 57 Ca 0.10 -2.73 -0.11 0.00 0.52 0.00 0.00 54.79 52.57 1xe0 n ASP 57 Cb 0.51 -1.67 -0.04 0.00 -0.72 0.00 0.00 41.12 39.19 1xe0 n ASP 57 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 1xe0 s GLU 58 N 5.92 1.72 0.14 -0.67 -1.05 -1.26 -4.98 118.70 118.51 1xe0 s GLU 58 Ca 0.65 -1.42 -0.30 0.00 -0.15 0.00 0.00 54.97 53.75 1xe0 s GLU 58 Cb 0.02 0.48 -0.07 0.00 -0.44 0.00 0.00 34.13 34.12 1xe0 s GLU 58 CO 0.12 -0.72 1.09 -1.17 0.95 0.00 0.00 175.26 175.52 1xe0 s LEU 59 N -3.09 4.46 -0.09 1.83 2.96 -1.26 -4.43 118.68 119.07 1xe0 s LEU 59 Ca 0.24 2.00 0.02 0.00 -0.22 0.00 0.00 54.13 56.18 1xe0 s LEU 59 Cb -0.01 -3.60 -0.02 0.00 0.50 0.00 0.00 46.19 43.07 1xe0 s LEU 59 CO 0.12 -0.24 -0.15 -1.00 -1.32 0.00 0.00 176.35 173.77 1xe0 s HIS 60 N 0.08 2.72 -0.12 5.38 3.76 0.95 -3.51 115.29 124.55 1xe0 s HIS 60 Ca 0.51 -0.44 0.02 0.00 -0.15 0.00 0.00 55.06 54.99 1xe0 s HIS 60 Cb -0.28 -1.72 0.01 0.00 1.11 0.00 0.00 32.58 31.70 1xe0 s HIS 60 CO 0.33 -0.04 -0.16 0.08 -0.85 0.00 0.00 174.74 174.10 1xe0 s VAL 61 N -0.17 1.58 -0.16 -0.90 1.01 -0.54 -0.26 120.40 120.96 1xe0 s VAL 61 Ca -0.01 -0.69 -0.05 0.00 0.00 0.00 0.00 61.98 61.23 1xe0 s VAL 61 Cb -0.13 -1.44 -0.03 0.00 0.00 0.00 0.00 36.38 34.77 1xe0 s VAL 61 CO 0.03 0.46 0.00 -0.69 0.00 0.00 0.00 175.10 174.90 1xe0 s VAL 62 N 1.00 4.26 0.20 2.92 1.01 -0.59 -0.10 120.40 129.10 1xe0 s VAL 62 Ca -0.06 -0.23 0.11 0.00 0.00 0.00 0.00 61.98 61.80 1xe0 s VAL 62 Cb -0.15 -2.88 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 1xe0 s VAL 62 CO -0.02 0.49 -0.21 -1.83 0.00 0.00 0.00 175.10 173.52 1xe0 s GLU 63 N 0.29 1.63 -0.06 2.72 -1.05 -0.07 -0.86 118.70 121.29 1xe0 s GLU 63 Ca -0.01 -1.52 0.04 0.00 -0.15 0.00 0.00 54.97 53.33 1xe0 s GLU 63 Cb -0.13 -1.89 -0.02 0.00 -0.44 0.00 0.00 34.13 31.65 1xe0 s GLU 63 CO 0.02 0.40 -0.18 0.00 0.95 0.00 0.00 175.26 176.44 1xe0 s ALA 64 N -1.79 2.47 -0.15 -0.84 0.00 -0.39 -0.85 121.76 120.20 1xe0 s ALA 64 Ca 0.23 -1.00 0.02 0.00 0.00 0.00 0.00 51.96 51.21 1xe0 s ALA 64 Cb -0.08 -0.89 0.01 0.00 0.00 0.00 0.00 23.12 22.17 1xe0 s ALA 64 CO 0.11 0.46 -0.21 -2.00 0.00 0.00 0.00 175.76 174.12 1xe0 s GLU 65 N -0.36 3.00 0.12 0.00 2.12 0.34 -1.02 118.70 122.91 1xe0 s GLU 65 Ca 0.03 -0.85 -0.14 0.00 0.36 0.00 0.00 54.97 54.37 1xe0 s GLU 65 Cb -0.12 -2.46 0.05 0.00 0.26 0.00 0.00 34.13 31.86 1xe0 s GLU 65 CO 0.02 -0.06 0.67 0.41 -0.54 0.00 0.00 175.26 175.76 1xe0 n GLY 66 N 4.19 0.85 3.70 -1.50 0.00 -0.48 -0.95 105.19 111.01 1xe0 n GLY 66 Ca -0.20 -1.07 -0.42 0.00 0.00 0.00 0.00 46.02 44.33 1xe0 n GLY 66 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xe0 s ILE 67 N -2.24 4.03 0.90 -0.61 -1.09 -1.26 -0.82 121.20 120.10 1xe0 s ILE 67 Ca 0.15 1.43 -0.13 0.00 -2.23 0.00 0.00 60.65 59.87 1xe0 s ILE 67 Cb -0.02 -3.92 0.20 0.00 -1.58 0.00 0.00 42.46 37.15 1xe0 s ILE 67 CO 0.04 0.07 1.23 -0.46 -1.23 0.00 0.00 174.94 174.58 1xe0 n ASN 68 N 4.42 0.31 0.00 3.58 0.23 0.84 -4.92 115.26 119.73 1xe0 n ASN 68 Ca 0.10 -1.58 0.11 0.00 -0.53 0.00 0.00 54.58 52.68 1xe0 n ASN 68 Cb 0.46 -0.92 0.50 0.00 -2.08 0.00 0.00 39.78 37.74 1xe0 n ASN 68 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1xe0 n TYR 69 N -3.60 0.00 0.37 -2.53 4.11 -1.26 -1.27 117.16 112.98 1xe0 n TYR 69 Ca 0.16 0.00 0.10 0.00 -0.00 0.00 0.00 57.90 58.16 1xe0 n TYR 69 Cb 0.56 -0.41 0.26 0.00 -0.00 0.00 0.00 39.34 39.75 1xe0 n TYR 69 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.86 177.25 1xe0 n GLU 70 N -1.41 2.26 -1.14 -3.48 -0.58 -1.26 -4.94 120.64 110.09 1xe0 n GLU 70 Ca 0.07 -1.94 -0.05 0.00 -0.42 0.00 0.00 57.16 54.83 1xe0 n GLU 70 Cb 0.22 -1.44 -0.02 0.00 -0.57 0.00 0.00 31.44 29.63 1xe0 n GLU 70 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xe0 n GLY 71 N 1.38 0.73 3.67 0.62 0.00 -0.40 -5.02 105.19 106.18 1xe0 n GLY 71 Ca 0.19 -0.56 -0.34 0.00 0.00 0.00 0.00 46.02 45.31 1xe0 n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xe0 s LYS 72 N -2.03 2.86 0.04 1.61 1.02 -1.26 -4.82 119.74 117.16 1xe0 s LYS 72 Ca 0.00 -0.52 -0.30 0.00 0.02 0.00 0.00 55.97 55.16 1xe0 s LYS 72 Cb 0.00 -2.71 -0.06 0.00 -0.52 0.00 0.00 37.83 34.54 1xe0 s LYS 72 CO 0.00 0.66 1.28 0.99 -0.92 0.00 0.00 175.35 177.36 1xe0 s THR 73 N -0.98 3.87 0.31 2.17 2.01 -1.26 -0.12 115.64 121.64 1xe0 s THR 73 Ca 0.16 1.31 0.08 0.00 0.31 0.00 0.00 61.69 63.55 1xe0 s THR 73 Cb -0.11 -3.84 -0.06 0.00 0.01 0.00 0.00 72.50 68.50 1xe0 s THR 73 CO 0.06 0.06 -0.07 0.27 -0.69 0.00 0.00 174.62 174.26 1xe0 s ILE 74 N 1.54 1.88 -0.12 1.82 -4.36 -0.00 -4.93 121.20 117.02 1xe0 s ILE 74 Ca 0.60 -2.15 0.03 0.00 -0.26 0.00 0.00 60.65 58.87 1xe0 s ILE 74 Cb -0.30 -2.55 0.00 0.00 1.25 0.00 0.00 42.46 40.86 1xe0 s ILE 74 CO 0.28 -0.25 -0.22 -0.54 0.24 0.00 0.00 174.94 174.45 1xe0 s LYS 75 N -3.68 3.08 -0.02 0.37 1.02 -1.26 -1.38 119.74 117.87 1xe0 s LYS 75 Ca 0.31 -0.84 0.03 0.00 0.02 0.00 0.00 55.97 55.48 1xe0 s LYS 75 Cb 0.03 -2.41 -0.00 0.00 -0.52 0.00 0.00 37.83 34.93 1xe0 s LYS 75 CO 0.14 0.08 -0.10 0.96 -0.92 0.00 0.00 175.35 175.51 1xe0 s ILE 76 N 0.59 0.82 -0.04 2.17 -4.36 -0.19 -4.97 121.20 115.23 1xe0 s ILE 76 Ca -0.12 -0.42 -0.26 0.00 -0.26 0.00 0.00 60.65 59.59 1xe0 s ILE 76 Cb -0.17 -0.70 -0.03 0.00 1.25 0.00 0.00 42.46 42.81 1xe0 s ILE 76 CO 0.03 0.24 0.83 0.00 0.24 0.00 0.00 174.94 176.28 1xe0 s ALA 77 N -0.07 3.26 -0.22 2.27 0.00 -1.26 -1.26 121.76 124.48 1xe0 s ALA 77 Ca 0.01 0.32 -0.10 0.00 0.00 0.00 0.00 51.96 52.19 1xe0 s ALA 77 Cb -0.06 -3.13 -0.18 0.00 0.00 0.00 0.00 23.12 19.74 1xe0 s ALA 77 CO -0.00 -0.17 -0.01 1.28 0.00 0.00 0.00 175.76 176.87 1xe0 n LEU 78 N 3.85 2.35 -3.51 0.00 4.77 -0.04 -4.96 117.00 119.46 1xe0 n LEU 78 Ca 0.02 0.21 -0.16 0.00 -0.03 0.00 0.00 56.01 56.06 1xe0 n LEU 78 Cb 0.51 -0.95 -0.05 0.00 -2.33 0.00 0.00 43.42 40.60 1xe0 n LEU 78 CO 0.49 0.66 0.40 0.00 -1.33 0.00 0.00 177.39 177.62 1xe0 s ALA 79 N -2.49 -1.66 -0.13 -1.18 0.00 -1.10 -5.01 121.76 110.19 1xe0 s ALA 79 Ca -0.31 1.01 0.01 0.00 0.00 0.00 0.00 51.96 52.67 1xe0 s ALA 79 Cb 0.09 0.27 0.02 0.00 0.00 0.00 0.00 23.12 23.50 1xe0 s ALA 79 CO 0.61 -0.48 -0.15 -1.12 0.00 0.00 0.00 175.76 174.62 1xe0 s SER 80 N -1.67 2.64 0.11 0.00 0.01 -1.26 -1.54 113.70 111.99 1xe0 s SER 80 Ca -0.07 -0.48 0.07 0.00 1.31 0.00 0.00 55.95 56.78 1xe0 s SER 80 Cb -0.00 -1.17 -0.03 0.00 0.21 0.00 0.00 66.02 65.02 1xe0 s SER 80 CO 0.03 -0.02 -0.17 -0.76 0.41 0.00 0.00 173.24 172.73 1xe0 s LEU 81 N 1.27 2.34 -0.05 2.44 1.43 0.64 -4.92 118.68 121.83 1xe0 s LEU 81 Ca 0.00 -0.72 -0.02 0.00 -1.03 0.00 0.00 54.13 52.36 1xe0 s LEU 81 Cb -0.14 -0.69 0.03 0.00 0.03 0.00 0.00 46.19 45.42 1xe0 s LEU 81 CO -0.07 -0.04 0.11 -0.75 0.23 0.00 0.00 176.35 175.82 1xe0 s LYS 82 N -2.18 0.06 0.52 1.70 2.20 -0.69 -0.04 119.74 121.32 1xe0 s LYS 82 Ca 0.06 0.27 0.16 0.00 -0.36 0.00 0.00 55.97 56.10 1xe0 s LYS 82 Cb -0.08 -0.14 1.26 0.00 -1.51 0.00 0.00 37.83 37.35 1xe0 s LYS 82 CO 0.04 -0.13 2.14 -1.35 -0.36 0.00 0.00 175.35 175.69 1xe0 h PRO 83 N 6.98 0.02 -0.61 4.03 0.11 -1.81 0.94 132.00 141.66 1xe0 h PRO 83 Ca -0.40 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1xe0 h PRO 83 Cb 1.15 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1xe0 h PRO 83 CO 0.44 0.01 0.00 -1.13 -0.21 0.00 0.00 178.00 177.12 1xe0 n SER 84 N -4.53 3.65 0.01 -2.05 3.41 -1.26 -4.41 113.62 108.44 1xe0 n SER 84 Ca -0.02 -1.99 0.00 0.00 -0.26 0.00 0.00 58.87 56.59 1xe0 n SER 84 Cb 0.11 -0.40 0.00 0.00 -0.26 0.00 0.00 64.21 63.66 1xe0 n SER 84 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1xe0 n VAL 85 N 1.53 0.05 -2.78 -3.33 0.31 -0.84 -5.03 118.33 108.23 1xe0 n VAL 85 Ca 0.22 0.02 -0.04 0.00 -0.01 0.00 0.00 64.34 64.53 1xe0 n VAL 85 Cb 0.60 -1.12 0.01 0.00 -0.91 0.00 0.00 33.84 32.41 1xe0 n VAL 85 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 1xe0 s GLN 86 N -2.00 0.97 0.46 5.55 0.74 0.27 -4.98 119.66 120.66 1xe0 s GLN 86 Ca 0.00 -0.92 0.29 0.00 0.05 0.00 0.00 55.36 54.78 1xe0 s GLN 86 Cb 0.00 -0.03 1.01 0.00 1.10 0.00 0.00 33.01 35.09 1xe0 s GLN 86 CO 0.00 -1.20 1.84 -1.00 -0.55 0.00 0.00 175.29 174.37 1xe0 h PRO 87 N 5.06 0.00 -4.16 1.67 0.13 -1.71 -1.83 132.00 131.16 1xe0 h PRO 87 Ca 0.05 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.84 1xe0 h PRO 87 Cb 1.12 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 31.95 1xe0 h PRO 87 CO 0.00 0.00 -0.76 0.99 -0.23 0.00 0.00 178.00 178.01 1xe0 s THR 88 N -3.46 0.40 -0.12 1.56 2.01 -1.26 -1.05 115.64 113.71 1xe0 s THR 88 Ca 0.04 -0.16 0.02 0.00 0.31 0.00 0.00 61.69 61.90 1xe0 s THR 88 Cb 0.08 -0.38 0.01 0.00 0.01 0.00 0.00 72.50 72.22 1xe0 s THR 88 CO 0.56 0.14 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.77 1xe0 s VAL 89 N 0.26 1.67 -0.11 3.82 1.01 -0.42 -5.00 120.40 121.63 1xe0 s VAL 89 Ca -0.03 -0.73 -0.25 0.00 0.00 0.00 0.00 61.98 60.97 1xe0 s VAL 89 Cb -0.06 -1.51 -0.03 0.00 0.00 0.00 0.00 36.38 34.77 1xe0 s VAL 89 CO -0.00 0.47 0.77 -0.55 0.00 0.00 0.00 175.10 175.79 1xe0 s SER 90 N 1.03 6.99 0.13 3.32 0.15 -1.26 -0.91 113.70 123.15 1xe0 s SER 90 Ca -0.04 1.20 0.25 0.00 0.70 0.00 0.00 55.95 58.06 1xe0 s SER 90 Cb -0.15 -2.44 0.55 0.00 -1.71 0.00 0.00 66.02 62.27 1xe0 s SER 90 CO -0.03 -0.25 1.50 0.18 1.20 0.00 0.00 173.24 175.83 1xe0 n LEU 91 N 4.44 0.68 -0.21 3.45 4.77 0.57 -4.98 117.00 125.72 1xe0 n LEU 91 Ca 0.02 0.33 -0.03 0.00 -0.03 0.00 0.00 56.01 56.30 1xe0 n LEU 91 Cb 0.50 -0.25 -0.01 0.00 -2.33 0.00 0.00 43.42 41.33 1xe0 n LEU 91 CO 0.48 -0.08 -0.03 0.61 -1.33 0.00 0.00 177.39 177.04 1xe0 n GLY 92 N 1.35 0.54 0.43 -0.72 0.00 -1.22 -3.91 105.19 101.66 1xe0 n GLY 92 Ca 0.04 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1xe0 n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xe0 n GLY 93 N -1.60 0.85 3.55 -0.02 0.00 -0.69 -5.01 105.19 102.27 1xe0 n GLY 93 Ca -0.03 -0.59 -0.40 0.00 0.00 0.00 0.00 46.02 45.00 1xe0 n GLY 93 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1xe0 s PHE 94 N -2.20 2.27 0.20 1.61 5.99 -0.54 -4.76 117.98 120.55 1xe0 s PHE 94 Ca 0.00 -0.14 -0.30 0.00 0.00 0.00 0.00 56.93 56.50 1xe0 s PHE 94 Cb 0.00 -4.59 -0.08 0.00 0.00 0.00 0.00 43.02 38.35 1xe0 s PHE 94 CO 0.00 -2.06 1.07 -1.21 -0.00 0.00 0.00 175.22 173.02 1xe0 s GLU 95 N 5.71 4.64 -0.01 10.12 2.02 -1.26 -0.53 118.70 139.39 1xe0 s GLU 95 Ca 0.40 1.69 -0.00 0.00 0.02 0.00 0.00 54.97 57.08 1xe0 s GLU 95 Cb -0.07 -3.27 0.02 0.00 0.10 0.00 0.00 34.13 30.91 1xe0 s GLU 95 CO 0.10 0.16 0.02 0.42 0.02 0.00 0.00 175.26 175.98 1xe0 s ILE 96 N -0.48 -0.03 -0.08 -1.63 1.01 0.11 -4.97 121.20 115.13 1xe0 s ILE 96 Ca 0.47 0.11 -0.26 0.00 0.00 0.00 0.00 60.65 60.97 1xe0 s ILE 96 Cb -0.29 -0.05 -0.03 0.00 0.01 0.00 0.00 42.46 42.10 1xe0 s ILE 96 CO 0.35 0.04 0.85 -0.89 0.00 0.00 0.00 174.94 175.29 1xe0 s THR 97 N 0.53 4.93 0.84 2.92 2.01 -1.26 -0.90 115.64 124.71 1xe0 s THR 97 Ca -0.04 1.74 -0.11 0.00 0.31 0.00 0.00 61.69 63.58 1xe0 s THR 97 Cb -0.06 -4.18 0.10 0.00 0.01 0.00 0.00 72.50 68.37 1xe0 s THR 97 CO -0.02 0.14 1.14 -2.16 -0.69 0.00 0.00 174.62 173.04 1xe0 s PRO 98 N 1.32 1.54 0.54 4.92 0.04 -1.26 -4.43 135.00 137.67 1xe0 s PRO 98 Ca 0.43 1.49 -0.17 0.00 0.04 0.00 0.00 61.00 62.79 1xe0 s PRO 98 Cb -0.18 -1.79 -0.06 0.00 0.04 0.00 0.00 34.50 32.51 1xe0 s PRO 98 CO 0.20 -2.24 1.03 -1.25 0.04 0.00 0.00 177.00 174.78 1xe0 s PRO 99 N -4.58 3.60 -0.08 0.56 0.04 -1.26 -5.00 135.00 128.28 1xe0 s PRO 99 Ca 0.67 1.20 -0.08 0.00 0.04 0.00 0.00 61.00 62.82 1xe0 s PRO 99 Cb -0.22 -2.07 0.02 0.00 0.04 0.00 0.00 34.50 32.26 1xe0 s PRO 99 CO 0.55 -0.58 0.22 0.54 0.04 0.00 0.00 177.00 177.77 1xe0 s VAL 100 N -2.35 0.01 -0.14 -0.36 0.11 -0.44 -4.59 120.40 112.63 1xe0 s VAL 100 Ca 0.64 -0.06 -0.06 0.00 -2.93 0.00 0.00 61.98 59.57 1xe0 s VAL 100 Cb -0.15 -0.33 -0.04 0.00 -1.53 0.00 0.00 36.38 34.33 1xe0 s VAL 100 CO 0.30 -0.03 0.07 -0.63 -3.33 0.00 0.00 175.10 171.48 1xe0 s ILE 101 N -0.02 4.86 -0.13 7.04 1.01 -0.13 -1.04 121.20 132.80 1xe0 s ILE 101 Ca -0.01 -0.02 -0.04 0.00 0.00 0.00 0.00 60.65 60.58 1xe0 s ILE 101 Cb -0.02 -3.14 -0.03 0.00 0.01 0.00 0.00 42.46 39.27 1xe0 s ILE 101 CO 0.01 0.53 0.01 -0.76 0.00 0.00 0.00 174.94 174.73 1xe0 s LEU 102 N -0.26 3.59 -0.00 2.97 1.43 -0.18 -0.50 118.68 125.72 1xe0 s LEU 102 Ca 0.08 0.08 0.01 0.00 -1.03 0.00 0.00 54.13 53.27 1xe0 s LEU 102 Cb -0.12 -1.85 0.00 0.00 0.03 0.00 0.00 46.19 44.25 1xe0 s LEU 102 CO 0.01 0.28 -0.02 -0.60 0.23 0.00 0.00 176.35 176.26 1xe0 s ARG 103 N -0.31 0.16 -0.68 1.70 3.52 -0.03 -0.63 118.95 122.67 1xe0 s ARG 103 Ca 0.07 -0.06 -0.26 0.00 -0.13 0.00 0.00 55.73 55.35 1xe0 s ARG 103 Cb -0.12 -0.17 0.04 0.00 -1.56 0.00 0.00 34.95 33.14 1xe0 s ARG 103 CO 0.02 0.03 1.16 -1.17 -0.81 0.00 0.00 175.30 174.53 1xe0 s LEU 104 N 0.02 3.60 0.18 -0.88 2.96 0.67 -0.89 118.68 124.34 1xe0 s LEU 104 Ca 0.00 -0.52 0.04 0.00 -0.22 0.00 0.00 54.13 53.43 1xe0 s LEU 104 Cb -0.02 -2.62 0.05 0.00 0.50 0.00 0.00 46.19 44.11 1xe0 s LEU 104 CO -0.00 -1.64 1.42 0.50 -1.32 0.00 0.00 176.35 175.31 1xe0 h LYS 105 N 9.79 0.18 -3.15 1.98 3.64 -0.83 -3.46 116.57 124.72 1xe0 h LYS 105 Ca -0.28 -0.18 0.03 0.00 -1.27 0.00 0.00 60.65 58.95 1xe0 h LYS 105 Cb 1.06 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.87 1xe0 h LYS 105 CO 1.23 0.90 0.16 -1.54 -2.27 0.00 0.00 179.45 177.92 1xe0 s SER 106 N -6.91 -0.18 0.00 4.20 1.04 -1.15 -4.95 113.70 105.76 1xe0 s SER 106 Ca -0.03 -0.74 0.00 0.00 0.48 0.00 0.00 55.95 55.66 1xe0 s SER 106 Cb 0.11 0.71 0.00 0.00 0.10 0.00 0.00 66.02 66.94 1xe0 s SER 106 CO 0.82 -1.34 0.00 0.61 0.98 0.00 0.00 173.24 174.30 1xe0 n GLY 107 N -0.45 -1.82 0.12 7.32 0.00 -1.23 -1.46 105.19 107.66 1xe0 n GLY 107 Ca -0.04 -1.51 -0.16 0.00 0.00 0.00 0.00 46.02 44.30 1xe0 n GLY 107 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1xe0 h SER 108 N 0.00 0.47 -0.73 1.61 4.64 -1.92 -3.42 113.55 114.20 1xe0 h SER 108 Ca 0.00 -0.49 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1xe0 h SER 108 Cb 0.00 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 61.94 1xe0 h SER 108 CO 0.00 1.37 0.00 0.61 -0.87 0.00 0.00 176.83 177.94 1xe0 n GLY 109 N 1.47 -0.28 3.77 -0.77 0.00 -1.26 -1.19 105.19 106.92 1xe0 n GLY 109 Ca -0.09 -0.97 -0.38 0.00 0.00 0.00 0.00 46.02 44.59 1xe0 n GLY 109 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xe0 s PRO 110 N 0.00 3.81 0.03 1.61 0.04 -1.26 -4.01 135.00 135.22 1xe0 s PRO 110 Ca 0.00 1.94 0.09 0.00 0.04 0.00 0.00 61.00 63.07 1xe0 s PRO 110 Cb 0.00 -2.54 -0.03 0.00 0.04 0.00 0.00 34.50 31.97 1xe0 s PRO 110 CO 0.00 -0.56 -0.26 0.08 0.04 0.00 0.00 177.00 176.30 1xe0 s VAL 111 N -1.41 2.05 0.05 -0.36 1.01 -0.43 -0.82 120.40 120.49 1xe0 s VAL 111 Ca 0.61 -1.28 0.08 0.00 0.00 0.00 0.00 61.98 61.39 1xe0 s VAL 111 Cb -0.33 -1.74 -0.03 0.00 0.00 0.00 0.00 36.38 34.28 1xe0 s VAL 111 CO 0.41 0.40 -0.23 -0.31 0.00 0.00 0.00 175.10 175.37 1xe0 s TYR 112 N -0.74 2.02 -0.04 5.22 1.51 -0.02 0.18 117.35 125.48 1xe0 s TYR 112 Ca 0.11 -0.39 0.07 0.00 -1.01 0.00 0.00 57.07 55.84 1xe0 s TYR 112 Cb -0.10 -1.20 -0.01 0.00 -0.11 0.00 0.00 41.96 40.54 1xe0 s TYR 112 CO 0.01 0.12 -0.24 0.08 -1.11 0.00 0.00 175.55 174.41 1xe0 s VAL 113 N -0.84 1.96 0.20 0.71 1.01 -0.24 -0.81 120.40 122.40 1xe0 s VAL 113 Ca 0.09 -1.04 0.11 0.00 0.00 0.00 0.00 61.98 61.14 1xe0 s VAL 113 Cb -0.09 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.60 1xe0 s VAL 113 CO 0.02 0.55 -0.22 -0.94 0.00 0.00 0.00 175.10 174.51 1xe0 s SER 114 N -0.37 3.30 0.00 3.32 1.04 -0.17 -1.88 113.70 118.94 1xe0 s SER 114 Ca 0.03 -0.90 0.00 0.00 0.48 0.00 0.00 55.95 55.56 1xe0 s SER 114 Cb -0.11 -0.24 0.00 0.00 0.10 0.00 0.00 66.02 65.76 1xe0 s SER 114 CO 0.01 0.07 0.00 0.61 0.98 0.00 0.00 173.24 174.91 1xe0 n GLY 115 N 0.09 -0.69 3.48 7.32 0.00 0.06 -0.29 105.19 115.15 1xe0 n GLY 115 Ca -0.11 -0.45 -0.30 0.00 0.00 0.00 0.00 46.02 45.15 1xe0 n GLY 115 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xe0 s GLN 116 N -0.32 2.03 -0.31 1.61 -0.21 -0.53 -0.46 119.66 121.47 1xe0 s GLN 116 Ca 0.00 -1.02 -0.08 0.00 0.02 0.00 0.00 55.36 54.28 1xe0 s GLN 116 Cb 0.00 -2.19 0.00 0.00 1.00 0.00 0.00 33.01 31.82 1xe0 s GLN 116 CO 0.00 0.53 0.12 -1.58 -2.12 0.00 0.00 175.29 172.24 1xe0 s HIS 117 N -0.99 3.17 -0.14 0.91 5.65 0.32 -0.70 115.29 123.51 1xe0 s HIS 117 Ca 0.16 -0.83 -0.08 0.00 0.25 0.00 0.00 55.06 54.56 1xe0 s HIS 117 Cb -0.11 -2.31 -0.04 0.00 -1.18 0.00 0.00 32.58 28.94 1xe0 s HIS 117 CO 0.07 -0.54 0.13 -0.51 -0.65 0.00 0.00 174.74 173.24 1xe0 s LEU 118 N 1.55 4.32 -0.05 8.88 1.43 -0.38 -1.18 118.68 133.24 1xe0 s LEU 118 Ca 0.03 0.39 0.01 0.00 -1.03 0.00 0.00 54.13 53.53 1xe0 s LEU 118 Cb -0.17 -2.07 0.02 0.00 0.03 0.00 0.00 46.19 44.00 1xe0 s LEU 118 CO 0.04 0.34 -0.04 -0.69 0.23 0.00 0.00 176.35 176.24 1xe0 s VAL 119 N -0.63 0.52 0.00 -1.59 1.01 -0.60 -1.94 120.40 117.18 1xe0 s VAL 119 Ca 0.13 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.01 1xe0 s VAL 119 Cb -0.12 -0.56 0.00 0.00 0.00 0.00 0.00 36.38 35.70 1xe0 s VAL 119 CO 0.02 0.23 0.26 0.00 0.00 0.00 0.00 175.10 175.61