#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 0.58 -0.14 -1.46 -0.21 0.05 -4.99 119.66 113.50 1xe0 s GLN 16 Ca 0.00 -0.97 -0.04 0.00 0.02 0.00 0.00 55.36 54.36 1xe0 s GLN 16 Cb 0.00 -0.09 0.05 0.00 1.00 0.00 0.00 33.01 33.98 1xe0 s GLN 16 CO 0.00 -0.02 0.08 1.21 -2.12 0.00 0.00 175.29 174.44 1xe0 s ASN 17 N -2.22 2.09 0.19 5.90 2.47 -1.26 -1.12 114.94 120.99 1xe0 s ASN 17 Ca -0.02 -0.46 0.10 0.00 0.42 0.00 0.00 52.86 52.90 1xe0 s ASN 17 Cb -0.02 -0.24 -0.04 0.00 -1.45 0.00 0.00 41.25 39.50 1xe0 s ASN 17 CO -0.03 -0.32 -0.16 -0.36 -3.72 0.00 0.00 177.10 172.51 1xe0 s PHE 18 N 2.13 2.49 0.42 0.43 0.40 -0.03 -4.97 117.98 118.85 1xe0 s PHE 18 Ca 0.03 -0.28 -0.26 0.00 -0.60 0.00 0.00 56.93 55.82 1xe0 s PHE 18 Cb -0.15 -1.22 -0.09 0.00 0.51 0.00 0.00 43.02 42.07 1xe0 s PHE 18 CO -0.08 0.51 1.36 -0.51 0.70 0.00 0.00 175.22 177.21 1xe0 s LEU 19 N -2.79 4.19 -0.01 -0.37 1.43 -1.26 -0.07 118.68 119.79 1xe0 s LEU 19 Ca 0.23 2.78 0.04 0.00 -1.03 0.00 0.00 54.13 56.16 1xe0 s LEU 19 Cb -0.08 -3.89 -0.01 0.00 0.03 0.00 0.00 46.19 42.24 1xe0 s LEU 19 CO 0.13 -0.97 -0.13 0.12 0.23 0.00 0.00 176.35 175.73 1xe0 s PHE 20 N -1.23 1.18 0.09 0.29 5.36 -0.18 -4.55 117.98 118.94 1xe0 s PHE 20 Ca 0.58 -0.22 -0.20 0.00 -0.96 0.00 0.00 56.93 56.13 1xe0 s PHE 20 Cb -0.41 -0.76 0.05 0.00 -0.34 0.00 0.00 43.02 41.56 1xe0 s PHE 20 CO 0.53 -0.02 0.48 0.20 -1.46 0.00 0.00 175.22 174.95 1xe0 s GLY 21 N -0.31 -0.39 0.12 13.12 0.00 -1.26 -1.43 107.32 117.17 1xe0 s GLY 21 Ca 0.05 0.35 -0.19 0.00 0.00 0.00 0.00 44.72 44.93 1xe0 s GLY 21 CO -0.00 0.06 0.48 0.00 0.00 0.00 0.00 173.10 173.64 1xe0 s GLU 23 N -3.46 2.99 -0.11 0.00 2.12 -1.26 -1.43 118.70 117.55 1xe0 s GLU 23 Ca 0.00 -0.86 0.02 0.00 0.36 0.00 0.00 54.97 54.49 1xe0 s GLU 23 Cb 0.00 -2.31 -0.01 0.00 0.26 0.00 0.00 34.13 32.08 1xe0 s GLU 23 CO -0.10 0.22 -0.19 -0.51 -0.54 0.00 0.00 175.26 174.14 1xe0 s LEU 24 N 0.24 2.38 0.00 2.70 1.43 0.80 -4.91 118.68 121.32 1xe0 s LEU 24 Ca -0.15 -0.44 -0.05 0.00 -1.03 0.00 0.00 54.13 52.46 1xe0 s LEU 24 Cb -0.17 -1.50 0.02 0.00 0.03 0.00 0.00 46.19 44.57 1xe0 s LEU 24 CO 0.08 0.18 0.37 2.29 0.23 0.00 0.00 176.35 179.50 1xe0 n LYS 25 N 3.41 0.54 -0.06 1.70 2.85 -0.28 -0.45 118.16 125.87 1xe0 n LYS 25 Ca -0.18 -1.47 -0.01 0.00 -1.05 0.00 0.00 58.31 55.59 1xe0 n LYS 25 Cb 0.53 1.60 0.25 0.00 -0.65 0.00 0.00 35.03 36.76 1xe0 n LYS 25 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1xe0 h ALA 26 N 1.89 1.30 -0.00 0.58 0.00 -1.92 -1.44 119.26 119.67 1xe0 h ALA 26 Ca -0.18 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1xe0 h ALA 26 Cb 0.71 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1xe0 h ALA 26 CO 0.23 0.48 -0.35 -0.40 0.00 0.00 0.00 179.25 179.21 1xe0 n ASP 27 N -4.28 0.79 -3.28 0.00 5.75 -1.26 -4.55 116.55 109.72 1xe0 n ASP 27 Ca 0.02 -0.61 -0.24 0.00 -0.01 0.00 0.00 54.79 53.95 1xe0 n ASP 27 Cb 0.24 0.18 -0.08 0.00 -1.03 0.00 0.00 41.12 40.42 1xe0 n ASP 27 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 1xe0 n LYS 28 N -1.02 0.36 0.16 0.11 4.81 -0.57 -4.98 118.16 117.04 1xe0 n LYS 28 Ca 0.09 -3.06 0.13 0.00 -0.87 0.00 0.00 58.31 54.60 1xe0 n LYS 28 Cb 0.34 -1.53 0.40 0.00 0.02 0.00 0.00 35.03 34.26 1xe0 n LYS 28 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 1xe0 h LYS 29 N 5.11 0.00 -5.51 1.64 1.57 -1.73 -0.72 116.57 116.93 1xe0 h LYS 29 Ca 0.19 0.00 -0.44 0.00 -1.87 0.00 0.00 60.65 58.53 1xe0 h LYS 29 Cb 0.92 0.00 -0.20 0.00 0.08 0.00 0.00 32.23 33.03 1xe0 h LYS 29 CO 0.37 0.00 -0.78 -1.21 -0.57 0.00 0.00 179.45 177.26 1xe0 s GLU 30 N -3.25 0.96 -0.09 3.15 2.02 -1.26 -0.25 118.70 119.98 1xe0 s GLU 30 Ca 0.07 -1.12 -0.00 0.00 0.02 0.00 0.00 54.97 53.93 1xe0 s GLU 30 Cb 0.09 -0.95 0.02 0.00 0.10 0.00 0.00 34.13 33.39 1xe0 s GLU 30 CO 0.57 0.20 -0.05 -0.47 0.02 0.00 0.00 175.26 175.53 1xe0 s TYR 31 N -1.66 1.16 -0.38 1.61 5.04 0.34 -4.99 117.35 118.47 1xe0 s TYR 31 Ca 0.04 -0.50 -0.14 0.00 -2.44 0.00 0.00 57.07 54.04 1xe0 s TYR 31 Cb -0.08 -1.04 0.01 0.00 0.35 0.00 0.00 41.96 41.20 1xe0 s TYR 31 CO 0.03 -0.41 0.27 0.45 -1.34 0.00 0.00 175.55 174.54 1xe0 s SER 32 N 1.67 6.02 -0.50 4.32 0.15 -1.26 -0.80 113.70 123.30 1xe0 s SER 32 Ca 0.03 -0.77 -0.22 0.00 0.70 0.00 0.00 55.95 55.68 1xe0 s SER 32 Cb -0.13 -2.13 0.04 0.00 -1.71 0.00 0.00 66.02 62.09 1xe0 s SER 32 CO -0.06 -0.37 0.77 0.12 1.20 0.00 0.00 173.24 174.89 1xe0 s PHE 33 N 1.67 2.96 0.07 3.44 5.36 0.43 -5.00 117.98 126.90 1xe0 s PHE 33 Ca 0.05 -0.13 0.03 0.00 -0.96 0.00 0.00 56.93 55.92 1xe0 s PHE 33 Cb -0.19 -3.71 -0.03 0.00 -0.34 0.00 0.00 43.02 38.76 1xe0 s PHE 33 CO 0.09 -1.10 -0.10 -1.59 -1.46 0.00 0.00 175.22 171.07 1xe0 s LYS 34 N 3.24 0.69 0.27 10.12 -2.85 -1.26 -1.14 119.74 128.81 1xe0 s LYS 34 Ca 0.25 -0.94 0.00 0.00 -1.00 0.00 0.00 55.97 54.28 1xe0 s LYS 34 Cb -0.15 -0.45 -0.00 0.00 -2.06 0.00 0.00 37.83 35.17 1xe0 s LYS 34 CO 0.18 0.08 0.01 0.28 0.10 0.00 0.00 175.35 175.99 1xe0 n VAL 35 N 1.08 0.00 -2.48 1.79 0.31 -1.26 -5.08 118.33 112.69 1xe0 n VAL 35 Ca -0.20 -1.30 0.00 0.00 -0.01 0.00 0.00 64.34 62.83 1xe0 n VAL 35 Cb 0.56 0.28 0.00 0.00 -0.91 0.00 0.00 33.84 33.76 1xe0 n VAL 35 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1xe0 n GLU 36 N -0.67 0.93 0.09 5.55 1.02 -1.26 -5.05 120.64 121.25 1xe0 n GLU 36 Ca -0.11 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 56.90 1xe0 n GLU 36 Cb 0.35 0.00 -0.11 0.00 -0.02 0.00 0.00 31.44 31.66 1xe0 n GLU 36 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1xe0 h ASP 37 N 0.00 0.37 -2.60 1.62 3.32 -2.05 -3.43 116.42 113.66 1xe0 h ASP 37 Ca 0.00 -0.37 -0.67 0.00 0.02 0.00 0.00 57.03 56.01 1xe0 h ASP 37 Cb 0.00 -0.12 -0.17 0.00 0.22 0.00 0.00 39.33 39.26 1xe0 h ASP 37 CO 0.00 1.25 0.59 -1.81 -1.72 0.00 0.00 179.24 177.56 1xe0 s ASP 38 N -7.07 6.37 0.40 6.45 1.01 -1.26 -4.88 116.67 117.70 1xe0 s ASP 38 Ca -0.04 -1.51 0.00 0.00 0.71 0.00 0.00 52.55 51.71 1xe0 s ASP 38 Cb 0.08 -2.39 0.00 0.00 1.01 0.00 0.00 42.92 41.62 1xe0 s ASP 38 CO 0.87 -1.23 0.00 0.59 0.21 0.00 0.00 175.17 175.61 1xe0 n ASN 40 N 6.98 -6.85 -4.78 0.27 3.02 -1.26 -4.90 115.26 107.73 1xe0 n ASN 40 Ca 0.07 1.06 -0.39 0.00 -0.03 0.00 0.00 54.58 55.29 1xe0 n ASN 40 Cb 0.46 -3.04 -0.06 0.00 -0.61 0.00 0.00 39.78 36.54 1xe0 n ASN 40 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1xe0 s GLU 41 N -1.63 4.38 0.17 3.52 2.02 -1.26 -4.96 118.70 120.94 1xe0 s GLU 41 Ca 0.00 0.92 0.09 0.00 0.02 0.00 0.00 54.97 56.00 1xe0 s GLU 41 Cb 0.00 -3.28 -0.04 0.00 0.10 0.00 0.00 34.13 30.91 1xe0 s GLU 41 CO 0.00 0.53 -0.12 -1.01 0.02 0.00 0.00 175.26 174.68 1xe0 s HIS 42 N -0.85 2.60 -0.25 1.61 3.76 -1.26 -4.31 115.29 116.60 1xe0 s HIS 42 Ca 0.33 -0.23 -0.20 0.00 -0.15 0.00 0.00 55.06 54.80 1xe0 s HIS 42 Cb -0.21 -1.29 0.07 0.00 1.11 0.00 0.00 32.58 32.26 1xe0 s HIS 42 CO 0.22 0.49 0.64 -1.14 -0.85 0.00 0.00 174.74 174.10 1xe0 s GLN 43 N -2.70 0.72 -0.01 1.40 0.74 -0.68 -4.50 119.66 114.64 1xe0 s GLN 43 Ca 0.24 0.96 -0.10 0.00 0.05 0.00 0.00 55.36 56.50 1xe0 s GLN 43 Cb -0.09 0.30 -0.05 0.00 1.10 0.00 0.00 33.01 34.27 1xe0 s GLN 43 CO 0.14 -0.11 0.31 -1.17 -0.55 0.00 0.00 175.29 173.91 1xe0 s LEU 44 N 0.67 4.41 -0.24 3.68 2.96 -0.85 -0.49 118.68 128.81 1xe0 s LEU 44 Ca -0.03 0.71 0.02 0.00 -0.22 0.00 0.00 54.13 54.61 1xe0 s LEU 44 Cb -0.05 -2.57 0.06 0.00 0.50 0.00 0.00 46.19 44.14 1xe0 s LEU 44 CO -0.04 0.30 -0.07 -0.55 -1.32 0.00 0.00 176.35 174.66 1xe0 s SER 45 N -1.36 4.06 -0.01 3.68 0.15 0.03 -0.83 113.70 119.43 1xe0 s SER 45 Ca 0.24 -1.26 -0.24 0.00 0.70 0.00 0.00 55.95 55.39 1xe0 s SER 45 Cb -0.14 -1.31 -0.05 0.00 -1.71 0.00 0.00 66.02 62.81 1xe0 s SER 45 CO 0.13 -0.22 0.74 -0.76 1.20 0.00 0.00 173.24 174.33 1xe0 s LEU 46 N 1.29 4.39 -0.03 3.45 1.43 -0.31 -0.73 118.68 128.18 1xe0 s LEU 46 Ca -0.07 1.33 -0.06 0.00 -1.03 0.00 0.00 54.13 54.30 1xe0 s LEU 46 Cb -0.19 -3.17 -0.02 0.00 0.03 0.00 0.00 46.19 42.84 1xe0 s LEU 46 CO -0.06 -0.05 -0.13 0.54 0.23 0.00 0.00 176.35 176.89 1xe0 n ARG 47 N 3.25 0.19 -4.20 1.70 5.12 0.94 -1.40 116.66 122.26 1xe0 n ARG 47 Ca -0.02 0.08 -0.18 0.00 -1.93 0.00 0.00 57.85 55.80 1xe0 n ARG 47 Cb 0.51 -0.77 -0.11 0.00 -1.16 0.00 0.00 32.46 30.92 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 -2.08 1.19 -0.10 0.55 -4.23 -1.08 0.02 115.64 109.91 1xe0 s THR 48 Ca -0.10 -1.54 0.03 0.00 -1.18 0.00 0.00 61.69 58.90 1xe0 s THR 48 Cb 0.01 -1.32 -0.00 0.00 1.34 0.00 0.00 72.50 72.53 1xe0 s THR 48 CO 0.15 -0.36 -0.22 -0.69 -0.54 0.00 0.00 174.62 172.97 1xe0 s VAL 49 N -1.83 2.28 0.02 2.29 1.01 -0.10 -1.20 120.40 122.87 1xe0 s VAL 49 Ca 0.04 -0.95 -0.05 0.00 0.00 0.00 0.00 61.98 61.02 1xe0 s VAL 49 Cb -0.07 -1.88 -0.01 0.00 0.00 0.00 0.00 36.38 34.42 1xe0 s VAL 49 CO 0.02 0.56 0.09 -0.94 0.00 0.00 0.00 175.10 174.83 1xe0 s SER 50 N 0.25 0.14 -0.06 3.32 1.04 -0.25 -1.32 113.70 116.81 1xe0 s SER 50 Ca -0.15 -0.43 -0.14 0.00 0.48 0.00 0.00 55.95 55.72 1xe0 s SER 50 Cb -0.17 0.20 -0.05 0.00 0.10 0.00 0.00 66.02 66.11 1xe0 s SER 50 CO 0.07 -0.44 0.35 -0.76 0.98 0.00 0.00 173.24 173.44 1xe0 s LEU 51 N -1.81 4.39 0.91 2.42 1.43 -0.50 -0.83 118.68 124.69 1xe0 s LEU 51 Ca -0.09 0.78 -0.12 0.00 -1.03 0.00 0.00 54.13 53.66 1xe0 s LEU 51 Cb -0.04 -2.47 0.14 0.00 0.03 0.00 0.00 46.19 43.84 1xe0 s LEU 51 CO -0.02 0.26 1.10 -0.83 0.23 0.00 0.00 176.35 177.09 1xe0 s GLY 52 N -0.56 1.59 0.40 -3.19 0.00 -0.61 -4.95 107.32 100.00 1xe0 s GLY 52 Ca 0.21 -0.29 0.19 0.00 0.00 0.00 0.00 44.72 44.84 1xe0 s GLY 52 CO 0.10 0.24 1.81 0.00 0.00 0.00 0.00 173.10 175.25 1xe0 h ALA 53 N -1.55 1.11 -0.01 3.20 0.00 -1.97 -2.35 119.26 117.69 1xe0 h ALA 53 Ca -0.51 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.10 1xe0 h ALA 53 Cb 1.31 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1xe0 h ALA 53 CO 0.58 0.42 -0.09 -1.13 0.00 0.00 0.00 179.25 179.03 1xe0 n SER 54 N -3.66 1.51 -4.72 0.00 3.41 -1.26 -4.94 113.62 103.96 1xe0 n SER 54 Ca -0.01 -1.37 -0.43 0.00 -0.26 0.00 0.00 58.87 56.80 1xe0 n SER 54 Cb 0.44 0.05 -0.02 0.00 -0.26 0.00 0.00 64.21 64.42 1xe0 n SER 54 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xe0 n ALA 55 N 0.04 2.43 -1.63 7.33 0.00 -0.89 -4.83 120.51 122.96 1xe0 n ALA 55 Ca 0.16 0.39 -0.42 0.00 0.00 0.00 0.00 53.44 53.58 1xe0 n ALA 55 Cb 0.38 -2.46 0.01 0.00 0.00 0.00 0.00 19.45 17.37 1xe0 n ALA 55 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1xe0 n LYS 56 N 2.96 1.50 -2.64 0.00 4.81 -1.26 -4.84 118.16 118.69 1xe0 n LYS 56 Ca 0.12 0.53 -0.43 0.00 -0.87 0.00 0.00 58.31 57.67 1xe0 n LYS 56 Cb 0.35 -2.10 -0.00 0.00 0.02 0.00 0.00 35.03 33.30 1xe0 n LYS 56 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1xe0 s ASP 57 N -0.66 6.85 0.20 3.14 2.15 -1.26 -4.69 116.67 122.41 1xe0 s ASP 57 Ca 0.62 -2.47 -0.15 0.00 0.43 0.00 0.00 52.55 50.97 1xe0 s ASP 57 Cb -0.56 -2.55 0.01 0.00 -0.30 0.00 0.00 42.92 39.52 1xe0 s ASP 57 CO 0.58 -1.12 0.48 -1.83 -0.17 0.00 0.00 175.17 173.10 1xe0 s GLU 58 N 3.85 1.38 0.22 4.34 -1.05 -1.26 -4.95 118.70 121.24 1xe0 s GLU 58 Ca 0.52 -0.99 -0.30 0.00 -0.15 0.00 0.00 54.97 54.04 1xe0 s GLU 58 Cb 0.03 0.49 -0.09 0.00 -0.44 0.00 0.00 34.13 34.12 1xe0 s GLU 58 CO 0.06 -0.57 1.22 -1.17 0.95 0.00 0.00 175.26 175.74 1xe0 s LEU 59 N -2.92 4.46 -0.10 1.83 2.96 -1.26 -4.45 118.68 119.20 1xe0 s LEU 59 Ca 0.13 2.33 0.02 0.00 -0.22 0.00 0.00 54.13 56.40 1xe0 s LEU 59 Cb -0.00 -3.62 -0.01 0.00 0.50 0.00 0.00 46.19 43.06 1xe0 s LEU 59 CO 0.00 -0.38 -0.18 -1.00 -1.32 0.00 0.00 176.35 173.47 1xe0 s HIS 60 N -0.38 2.68 -0.14 5.38 3.76 0.18 -3.86 115.29 122.91 1xe0 s HIS 60 Ca 0.51 -0.71 -0.00 0.00 -0.15 0.00 0.00 55.06 54.71 1xe0 s HIS 60 Cb -0.34 -1.75 -0.01 0.00 1.11 0.00 0.00 32.58 31.59 1xe0 s HIS 60 CO 0.40 -0.22 -0.13 0.08 -0.85 0.00 0.00 174.74 174.02 1xe0 s VAL 61 N 0.15 2.98 -0.15 -0.90 1.01 -0.19 -0.70 120.40 122.60 1xe0 s VAL 61 Ca -0.10 -0.67 -0.00 0.00 0.00 0.00 0.00 61.98 61.21 1xe0 s VAL 61 Cb -0.16 -2.26 -0.01 0.00 0.00 0.00 0.00 36.38 33.95 1xe0 s VAL 61 CO 0.06 0.51 -0.14 -0.69 0.00 0.00 0.00 175.10 174.84 1xe0 s VAL 62 N 0.55 2.84 0.33 2.92 1.01 -0.75 -1.20 120.40 126.10 1xe0 s VAL 62 Ca -0.08 -0.72 0.10 0.00 0.00 0.00 0.00 61.98 61.28 1xe0 s VAL 62 Cb -0.16 -2.20 -0.06 0.00 0.00 0.00 0.00 36.38 33.97 1xe0 s VAL 62 CO 0.04 0.51 -0.12 -1.83 0.00 0.00 0.00 175.10 173.70 1xe0 s GLU 63 N 0.65 1.78 0.02 2.72 -1.05 -0.27 -0.81 118.70 121.74 1xe0 s GLU 63 Ca -0.07 -1.90 0.08 0.00 -0.15 0.00 0.00 54.97 52.93 1xe0 s GLU 63 Cb -0.16 -1.71 -0.02 0.00 -0.44 0.00 0.00 34.13 31.80 1xe0 s GLU 63 CO 0.02 0.18 -0.24 0.00 0.95 0.00 0.00 175.26 176.17 1xe0 s ALA 64 N -2.60 2.05 -0.13 -0.84 0.00 -0.21 -0.60 121.76 119.44 1xe0 s ALA 64 Ca 0.32 -1.15 0.00 0.00 0.00 0.00 0.00 51.96 51.14 1xe0 s ALA 64 Cb 0.01 -0.45 0.02 0.00 0.00 0.00 0.00 23.12 22.70 1xe0 s ALA 64 CO 0.16 0.49 -0.13 -2.00 0.00 0.00 0.00 175.76 174.28 1xe0 s GLU 65 N -1.01 2.11 0.00 0.00 2.12 -0.09 -0.30 118.70 121.52 1xe0 s GLU 65 Ca 0.10 -0.49 0.00 0.00 0.36 0.00 0.00 54.97 54.94 1xe0 s GLU 65 Cb -0.09 -1.95 0.00 0.00 0.26 0.00 0.00 34.13 32.35 1xe0 s GLU 65 CO 0.01 -0.21 0.00 0.41 -0.54 0.00 0.00 175.26 174.93 1xe0 n GLY 66 N 4.71 1.71 3.84 -1.50 0.00 -0.55 -1.56 105.19 111.84 1xe0 n GLY 66 Ca -0.16 -0.93 -0.37 0.00 0.00 0.00 0.00 46.02 44.56 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 -2.75 5.24 0.22 -0.61 -1.09 -1.26 -0.56 121.20 120.39 1xe0 s ILE 67 Ca 0.00 0.57 0.03 0.00 -2.23 0.00 0.00 60.65 59.01 1xe0 s ILE 67 Cb 0.00 -3.58 0.04 0.00 -1.58 0.00 0.00 42.46 37.33 1xe0 s ILE 67 CO 0.00 0.58 0.30 -0.46 -1.23 0.00 0.00 174.94 174.13 1xe0 n ASN 68 N 2.06 0.71 0.26 3.58 6.94 0.73 -4.91 115.26 124.62 1xe0 n ASN 68 Ca -0.16 -1.53 0.08 0.00 -0.02 0.00 0.00 54.58 52.96 1xe0 n ASN 68 Cb 0.53 -0.17 0.65 0.00 -2.36 0.00 0.00 39.78 38.44 1xe0 n ASN 68 CO 0.00 0.00 0.00 0.22 -1.03 0.00 0.00 177.26 176.45 1xe0 h TYR 69 N -0.05 0.00 -0.34 -2.53 5.03 -1.99 -1.49 116.97 115.60 1xe0 h TYR 69 Ca -0.10 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.21 1xe0 h TYR 69 Cb 0.45 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.73 1xe0 h TYR 69 CO 0.00 0.01 0.00 0.39 -1.32 0.00 0.00 178.16 177.24 1xe0 n GLU 70 N -4.49 2.03 -1.48 1.82 1.02 -1.26 -4.93 120.64 113.36 1xe0 n GLU 70 Ca -0.03 -1.58 -0.00 0.00 -0.02 0.00 0.00 57.16 55.53 1xe0 n GLU 70 Cb 0.10 -1.40 -0.00 0.00 -0.02 0.00 0.00 31.44 30.11 1xe0 n GLU 70 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xe0 n GLY 71 N 1.25 0.38 3.79 0.62 0.00 -0.56 -5.05 105.19 105.61 1xe0 n GLY 71 Ca 0.16 -0.99 -0.34 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.96 3.14 -0.09 1.61 -0.14 -1.26 -4.83 119.74 115.20 1xe0 s LYS 72 Ca 0.00 -0.39 -0.30 0.00 -1.36 0.00 0.00 55.97 53.92 1xe0 s LYS 72 Cb 0.00 -2.92 -0.02 0.00 -1.68 0.00 0.00 37.83 33.21 1xe0 s LYS 72 CO 0.00 0.69 1.16 0.99 -0.76 0.00 0.00 175.35 177.42 1xe0 s THR 73 N -1.10 4.40 0.15 2.17 2.01 -1.26 -0.20 115.64 121.81 1xe0 s THR 73 Ca 0.20 1.70 0.05 0.00 0.31 0.00 0.00 61.69 63.95 1xe0 s THR 73 Cb -0.12 -4.10 -0.04 0.00 0.01 0.00 0.00 72.50 68.25 1xe0 s THR 73 CO 0.10 -0.03 -0.11 0.27 -0.69 0.00 0.00 174.62 174.16 1xe0 s ILE 74 N 2.43 1.27 -0.15 1.82 -4.36 0.28 -4.96 121.20 117.53 1xe0 s ILE 74 Ca 0.53 -2.07 0.01 0.00 -0.26 0.00 0.00 60.65 58.86 1xe0 s ILE 74 Cb -0.22 -1.86 -0.00 0.00 1.25 0.00 0.00 42.46 41.62 1xe0 s ILE 74 CO 0.19 -0.71 -0.16 -0.54 0.24 0.00 0.00 174.94 173.96 1xe0 s LYS 75 N -3.68 3.22 0.05 0.37 1.02 -1.26 -1.48 119.74 117.98 1xe0 s LYS 75 Ca 0.17 -0.76 0.09 0.00 0.02 0.00 0.00 55.97 55.50 1xe0 s LYS 75 Cb 0.02 -2.59 -0.03 0.00 -0.52 0.00 0.00 37.83 34.71 1xe0 s LYS 75 CO 0.02 0.06 -0.25 0.96 -0.92 0.00 0.00 175.35 175.21 1xe0 s ILE 76 N 0.71 2.23 -0.21 2.17 -4.36 0.59 -4.96 121.20 117.37 1xe0 s ILE 76 Ca -0.07 -1.40 -0.25 0.00 -0.26 0.00 0.00 60.65 58.66 1xe0 s ILE 76 Cb -0.16 -1.89 -0.01 0.00 1.25 0.00 0.00 42.46 41.66 1xe0 s ILE 76 CO 0.01 0.34 0.83 0.00 0.24 0.00 0.00 174.94 176.37 1xe0 s ALA 77 N -0.84 3.60 -0.11 2.27 0.00 -1.26 -1.04 121.76 124.36 1xe0 s ALA 77 Ca 0.12 -0.06 -0.19 0.00 0.00 0.00 0.00 51.96 51.84 1xe0 s ALA 77 Cb -0.10 -3.27 -0.27 0.00 0.00 0.00 0.00 23.12 19.49 1xe0 s ALA 77 CO 0.03 -0.81 0.58 -0.07 0.00 0.00 0.00 175.76 175.48 1xe0 h LEU 78 N 8.83 0.30 -7.03 0.00 3.38 -1.31 -3.48 115.31 116.00 1xe0 h LEU 78 Ca -0.25 -0.84 -0.06 0.00 0.09 0.00 0.00 57.88 56.82 1xe0 h LEU 78 Cb 1.11 -0.10 -0.20 0.00 0.09 0.00 0.00 40.66 41.56 1xe0 h LEU 78 CO 0.86 1.51 0.14 0.00 0.09 0.00 0.00 178.44 181.05 1xe0 s ALA 79 N -2.43 -1.71 -0.18 1.53 0.00 -1.12 -5.03 121.76 112.83 1xe0 s ALA 79 Ca -0.20 1.41 -0.03 0.00 0.00 0.00 0.00 51.96 53.14 1xe0 s ALA 79 Cb 0.03 -0.25 -0.02 0.00 0.00 0.00 0.00 23.12 22.89 1xe0 s ALA 79 CO 0.74 -0.35 -0.06 -1.12 0.00 0.00 0.00 175.76 174.97 1xe0 s SER 80 N -0.85 4.39 0.12 0.00 0.01 -1.26 -1.81 113.70 114.30 1xe0 s SER 80 Ca -0.09 -0.29 0.06 0.00 1.31 0.00 0.00 55.95 56.94 1xe0 s SER 80 Cb -0.01 -1.72 -0.04 0.00 0.21 0.00 0.00 66.02 64.46 1xe0 s SER 80 CO 0.08 0.08 -0.15 -0.76 0.41 0.00 0.00 173.24 172.90 1xe0 s LEU 81 N 0.87 2.39 -0.12 2.44 1.43 0.12 -4.95 118.68 120.87 1xe0 s LEU 81 Ca -0.01 -0.80 -0.07 0.00 -1.03 0.00 0.00 54.13 52.21 1xe0 s LEU 81 Cb -0.15 -0.61 0.04 0.00 0.03 0.00 0.00 46.19 45.50 1xe0 s LEU 81 CO 0.01 -0.11 0.29 -0.75 0.23 0.00 0.00 176.35 176.02 1xe0 s LYS 82 N -2.59 0.28 0.23 1.70 2.20 -0.70 -0.65 119.74 120.22 1xe0 s LYS 82 Ca 0.09 0.55 -0.06 0.00 -0.36 0.00 0.00 55.97 56.19 1xe0 s LYS 82 Cb -0.06 -0.02 0.41 0.00 -1.51 0.00 0.00 37.83 36.65 1xe0 s LYS 82 CO 0.04 -0.13 1.72 -1.35 -0.36 0.00 0.00 175.35 175.26 1xe0 h PRO 83 N 6.76 0.35 -0.04 4.03 0.11 -1.81 0.65 132.00 142.05 1xe0 h PRO 83 Ca -0.36 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1xe0 h PRO 83 Cb 1.17 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1xe0 h PRO 83 CO 0.35 0.23 0.00 -1.13 -0.21 0.00 0.00 178.00 177.24 1xe0 n SER 84 N -5.06 0.81 0.00 -2.05 3.41 -1.26 -4.30 113.62 105.16 1xe0 n SER 84 Ca 0.13 -1.37 0.00 0.00 -0.26 0.00 0.00 58.87 57.36 1xe0 n SER 84 Cb 0.39 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 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 -0.33 0.00 -2.98 -3.33 0.31 -0.60 -5.02 118.33 106.38 1xe0 n VAL 85 Ca 0.19 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.47 1xe0 n VAL 85 Cb 0.22 -0.95 -0.01 0.00 -0.91 0.00 0.00 33.84 32.20 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 -1.96 0.96 0.44 5.55 0.74 0.12 -4.97 119.66 120.54 1xe0 s GLN 86 Ca 0.00 -0.92 0.26 0.00 0.05 0.00 0.00 55.36 54.74 1xe0 s GLN 86 Cb 0.00 -0.17 0.63 0.00 1.10 0.00 0.00 33.01 34.57 1xe0 s GLN 86 CO 0.00 -1.29 1.71 -1.00 -0.55 0.00 0.00 175.29 174.17 1xe0 h PRO 87 N 5.75 0.00 -5.23 1.67 0.13 -1.71 -1.85 132.00 130.75 1xe0 h PRO 87 Ca 0.07 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.71 1xe0 h PRO 87 Cb 1.11 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 31.94 1xe0 h PRO 87 CO 0.08 0.00 -0.81 0.99 -0.23 0.00 0.00 178.00 178.02 1xe0 s THR 88 N -3.30 1.13 -0.14 1.56 2.01 -1.26 -1.41 115.64 114.23 1xe0 s THR 88 Ca 0.06 -0.60 0.02 0.00 0.31 0.00 0.00 61.69 61.48 1xe0 s THR 88 Cb 0.07 -0.95 0.00 0.00 0.01 0.00 0.00 72.50 71.62 1xe0 s THR 88 CO 0.63 0.32 -0.19 -0.69 -0.69 0.00 0.00 174.62 174.00 1xe0 s VAL 89 N -0.22 2.37 -0.23 3.82 1.01 -0.43 -5.00 120.40 121.72 1xe0 s VAL 89 Ca 0.03 -0.88 -0.18 0.00 0.00 0.00 0.00 61.98 60.95 1xe0 s VAL 89 Cb -0.07 -1.97 -0.03 0.00 0.00 0.00 0.00 36.38 34.32 1xe0 s VAL 89 CO -0.00 0.54 0.50 -0.55 0.00 0.00 0.00 175.10 175.59 1xe0 s SER 90 N 0.68 6.48 0.07 3.32 0.15 -1.26 -0.93 113.70 122.21 1xe0 s SER 90 Ca -0.09 0.58 0.25 0.00 0.70 0.00 0.00 55.95 57.39 1xe0 s SER 90 Cb -0.16 -2.28 0.49 0.00 -1.71 0.00 0.00 66.02 62.36 1xe0 s SER 90 CO 0.02 -0.22 1.42 0.18 1.20 0.00 0.00 173.24 175.84 1xe0 n LEU 91 N 5.12 0.57 -0.42 3.45 4.77 0.10 -4.98 117.00 125.62 1xe0 n LEU 91 Ca -0.05 0.18 -0.05 0.00 -0.03 0.00 0.00 56.01 56.06 1xe0 n LEU 91 Cb 0.50 -0.24 -0.02 0.00 -2.33 0.00 0.00 43.42 41.33 1xe0 n LEU 91 CO 0.41 0.01 -0.05 0.61 -1.33 0.00 0.00 177.39 177.04 1xe0 n GLY 92 N 1.41 0.80 0.80 -0.72 0.00 -1.22 -4.06 105.19 102.19 1xe0 n GLY 92 Ca 0.04 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.21 0.74 3.54 -0.02 0.00 -0.64 -5.02 105.19 101.59 1xe0 n GLY 93 Ca -0.05 -0.51 -0.43 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.53 2.71 0.02 1.61 5.99 -0.49 -4.75 117.98 120.53 1xe0 s PHE 94 Ca 0.00 0.15 -0.24 0.00 0.00 0.00 0.00 56.93 56.84 1xe0 s PHE 94 Cb 0.00 -4.26 -0.05 0.00 0.00 0.00 0.00 43.02 38.71 1xe0 s PHE 94 CO 0.00 -1.46 0.72 -1.21 -0.00 0.00 0.00 175.22 173.27 1xe0 s GLU 95 N 4.37 4.45 -0.03 10.12 2.02 -1.26 -1.16 118.70 137.21 1xe0 s GLU 95 Ca 0.35 0.97 0.01 0.00 0.02 0.00 0.00 54.97 56.32 1xe0 s GLU 95 Cb -0.11 -3.37 0.02 0.00 0.10 0.00 0.00 34.13 30.77 1xe0 s GLU 95 CO 0.21 0.27 -0.02 0.42 0.02 0.00 0.00 175.26 176.16 1xe0 s ILE 96 N 0.04 0.29 0.13 -1.63 1.01 -0.01 -5.00 121.20 116.03 1xe0 s ILE 96 Ca 0.37 -0.02 -0.27 0.00 0.00 0.00 0.00 60.65 60.73 1xe0 s ILE 96 Cb -0.20 -0.34 -0.07 0.00 0.01 0.00 0.00 42.46 41.86 1xe0 s ILE 96 CO 0.21 0.15 0.86 0.42 0.00 0.00 0.00 174.94 176.58 1xe0 s THR 97 N 0.77 4.45 0.71 2.92 -4.23 -1.26 -2.00 115.64 117.00 1xe0 s THR 97 Ca -0.08 1.86 -0.13 0.00 -1.18 0.00 0.00 61.69 62.16 1xe0 s THR 97 Cb -0.12 -4.22 0.03 0.00 1.34 0.00 0.00 72.50 69.53 1xe0 s THR 97 CO -0.01 0.42 1.10 -2.16 -0.54 0.00 0.00 174.62 173.43 1xe0 s PRO 98 N -0.52 2.54 0.39 3.99 0.04 -1.26 -4.33 135.00 135.85 1xe0 s PRO 98 Ca 0.41 1.30 -0.13 0.00 0.04 0.00 0.00 61.00 62.62 1xe0 s PRO 98 Cb -0.23 -1.92 -0.08 0.00 0.04 0.00 0.00 34.50 32.31 1xe0 s PRO 98 CO 0.27 -1.44 0.80 -1.25 0.04 0.00 0.00 177.00 175.42 1xe0 s PRO 99 N -4.44 3.91 -0.05 0.56 0.04 -1.26 -4.96 135.00 128.80 1xe0 s PRO 99 Ca 0.65 0.64 -0.10 0.00 0.04 0.00 0.00 61.00 62.23 1xe0 s PRO 99 Cb -0.19 -2.36 0.02 0.00 0.04 0.00 0.00 34.50 32.01 1xe0 s PRO 99 CO 0.48 0.00 0.24 0.54 0.04 0.00 0.00 177.00 178.30 1xe0 s VAL 100 N -2.26 0.04 -0.12 -0.36 0.11 -0.29 -4.57 120.40 112.95 1xe0 s VAL 100 Ca 0.54 -0.31 -0.01 0.00 -2.93 0.00 0.00 61.98 59.26 1xe0 s VAL 100 Cb -0.10 -0.45 -0.03 0.00 -1.53 0.00 0.00 36.38 34.27 1xe0 s VAL 100 CO 0.25 -0.17 -0.07 -0.63 -3.33 0.00 0.00 175.10 171.15 1xe0 s ILE 101 N -0.67 3.65 -0.14 7.04 1.01 -0.60 -0.43 121.20 131.07 1xe0 s ILE 101 Ca -0.08 -0.46 -0.05 0.00 0.00 0.00 0.00 60.65 60.06 1xe0 s ILE 101 Cb -0.04 -2.55 -0.04 0.00 0.01 0.00 0.00 42.46 39.84 1xe0 s ILE 101 CO 0.02 0.54 0.03 -0.76 0.00 0.00 0.00 174.94 174.77 1xe0 s LEU 102 N -0.07 3.71 -0.02 2.97 1.43 0.02 -0.92 118.68 125.80 1xe0 s LEU 102 Ca 0.01 0.12 0.01 0.00 -1.03 0.00 0.00 54.13 53.23 1xe0 s LEU 102 Cb -0.13 -1.90 0.01 0.00 0.03 0.00 0.00 46.19 44.20 1xe0 s LEU 102 CO 0.03 0.27 -0.04 -0.60 0.23 0.00 0.00 176.35 176.24 1xe0 s ARG 103 N -0.23 0.52 -0.76 1.70 3.52 0.23 -0.50 118.95 123.42 1xe0 s ARG 103 Ca 0.07 -0.10 -0.27 0.00 -0.13 0.00 0.00 55.73 55.30 1xe0 s ARG 103 Cb -0.12 -0.55 0.03 0.00 -1.56 0.00 0.00 34.95 32.75 1xe0 s ARG 103 CO 0.02 0.00 1.33 -1.17 -0.81 0.00 0.00 175.30 174.67 1xe0 s LEU 104 N 0.43 3.20 0.08 -0.88 2.96 0.66 -1.12 118.68 124.01 1xe0 s LEU 104 Ca -0.05 -0.52 -0.15 0.00 -0.22 0.00 0.00 54.13 53.20 1xe0 s LEU 104 Cb -0.08 -2.56 -0.16 0.00 0.50 0.00 0.00 46.19 43.89 1xe0 s LEU 104 CO -0.00 -1.84 1.29 0.50 -1.32 0.00 0.00 176.35 174.97 1xe0 h LYS 105 N 10.28 0.69 -2.78 1.98 3.64 -1.47 -3.48 116.57 125.44 1xe0 h LYS 105 Ca -0.22 -0.54 0.03 0.00 -1.27 0.00 0.00 60.65 58.64 1xe0 h LYS 105 Cb 1.05 0.11 -0.13 0.00 -0.41 0.00 0.00 32.23 32.85 1xe0 h LYS 105 CO 1.29 1.16 0.30 -1.54 -2.27 0.00 0.00 179.45 178.39 1xe0 s SER 106 N -6.90 -0.49 0.00 4.20 1.04 -1.20 -4.97 113.70 105.39 1xe0 s SER 106 Ca -0.11 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.28 1xe0 s SER 106 Cb 0.07 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.74 1xe0 s SER 106 CO 0.87 -0.89 0.00 0.61 0.98 0.00 0.00 173.24 174.81 1xe0 n GLY 107 N -0.35 2.22 0.34 7.32 0.00 -1.25 -1.02 105.19 112.45 1xe0 n GLY 107 Ca -0.14 -1.77 -0.03 0.00 0.00 0.00 0.00 46.02 44.08 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 0.98 -2.86 1.61 4.64 -1.88 -3.48 113.55 112.57 1xe0 h SER 108 Ca 0.00 -0.12 0.08 0.00 -0.47 0.00 0.00 61.79 61.28 1xe0 h SER 108 Cb 0.00 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 61.82 1xe0 h SER 108 CO 0.00 0.85 -0.10 0.61 -0.87 0.00 0.00 176.83 177.31 1xe0 n GLY 109 N -1.02 -1.70 3.80 -0.77 0.00 -1.26 -3.76 105.19 100.47 1xe0 n GLY 109 Ca 0.07 -1.25 -0.33 0.00 0.00 0.00 0.00 46.02 44.51 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 -0.61 3.36 0.03 1.61 0.04 -1.26 -3.98 135.00 134.19 1xe0 s PRO 110 Ca 0.00 1.24 0.06 0.00 0.04 0.00 0.00 61.00 62.34 1xe0 s PRO 110 Cb 0.00 -2.04 -0.02 0.00 0.04 0.00 0.00 34.50 32.48 1xe0 s PRO 110 CO 0.00 -0.78 -0.18 0.08 0.04 0.00 0.00 177.00 176.16 1xe0 s VAL 111 N -2.37 1.47 -0.01 -0.36 1.01 0.40 -1.58 120.40 118.96 1xe0 s VAL 111 Ca 0.64 -1.03 0.06 0.00 0.00 0.00 0.00 61.98 61.66 1xe0 s VAL 111 Cb -0.16 -1.27 -0.03 0.00 0.00 0.00 0.00 36.38 34.92 1xe0 s VAL 111 CO 0.35 0.22 -0.20 -0.31 0.00 0.00 0.00 175.10 175.15 1xe0 s TYR 112 N -0.70 2.51 -0.03 5.22 1.51 -0.01 -0.14 117.35 125.71 1xe0 s TYR 112 Ca 0.06 -0.30 0.08 0.00 -1.01 0.00 0.00 57.07 55.90 1xe0 s TYR 112 Cb -0.08 -1.53 -0.02 0.00 -0.11 0.00 0.00 41.96 40.22 1xe0 s TYR 112 CO 0.01 0.12 -0.26 0.08 -1.11 0.00 0.00 175.55 174.39 1xe0 s VAL 113 N -0.74 2.03 0.20 0.71 1.01 -0.51 -1.10 120.40 122.01 1xe0 s VAL 113 Ca 0.12 -1.09 0.09 0.00 0.00 0.00 0.00 61.98 61.09 1xe0 s VAL 113 Cb -0.10 -1.69 -0.05 0.00 0.00 0.00 0.00 36.38 34.54 1xe0 s VAL 113 CO 0.01 0.57 -0.16 -0.94 0.00 0.00 0.00 175.10 174.58 1xe0 s SER 114 N -0.51 2.75 0.00 3.32 1.04 -0.34 -1.27 113.70 118.69 1xe0 s SER 114 Ca 0.07 -0.97 0.00 0.00 0.48 0.00 0.00 55.95 55.53 1xe0 s SER 114 Cb -0.11 -0.17 0.00 0.00 0.10 0.00 0.00 66.02 65.85 1xe0 s SER 114 CO -0.00 -0.10 0.00 0.61 0.98 0.00 0.00 173.24 174.73 1xe0 n GLY 115 N -0.20 -0.75 3.33 7.32 0.00 -0.52 -0.04 105.19 114.34 1xe0 n GLY 115 Ca -0.09 -0.75 -0.29 0.00 0.00 0.00 0.00 46.02 44.88 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 -0.42 1.72 -0.27 1.61 -0.21 0.10 -1.01 119.66 121.17 1xe0 s GLN 116 Ca 0.00 -1.10 -0.04 0.00 0.02 0.00 0.00 55.36 54.25 1xe0 s GLN 116 Cb 0.00 -1.90 0.02 0.00 1.00 0.00 0.00 33.01 32.13 1xe0 s GLN 116 CO 0.00 0.49 0.00 -1.58 -2.12 0.00 0.00 175.29 172.08 1xe0 s HIS 117 N -0.82 3.13 -0.12 0.91 5.65 0.90 -0.79 115.29 124.14 1xe0 s HIS 117 Ca 0.11 -1.38 -0.03 0.00 0.25 0.00 0.00 55.06 54.01 1xe0 s HIS 117 Cb -0.10 -2.14 -0.03 0.00 -1.18 0.00 0.00 32.58 29.12 1xe0 s HIS 117 CO 0.02 -0.68 0.01 -0.51 -0.65 0.00 0.00 174.74 172.93 1xe0 s LEU 118 N 1.38 3.58 0.00 8.88 1.43 0.35 -0.85 118.68 133.45 1xe0 s LEU 118 Ca 0.00 0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.19 1xe0 s LEU 118 Cb -0.17 -1.84 0.00 0.00 0.03 0.00 0.00 46.19 44.20 1xe0 s LEU 118 CO -0.01 0.30 0.22 0.52 0.23 0.00 0.00 176.35 177.61