#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 1.70 -0.10 4.33 -0.21 -0.61 -4.93 119.66 119.84 1xe0 s GLN 16 Ca 0.00 -1.77 0.00 0.00 0.02 0.00 0.00 55.36 53.61 1xe0 s GLN 16 Cb 0.00 -1.77 0.02 0.00 1.00 0.00 0.00 33.01 32.26 1xe0 s GLN 16 CO 0.00 0.32 -0.08 1.21 -2.12 0.00 0.00 175.29 174.62 1xe0 s ASN 17 N -3.52 2.07 0.10 5.90 2.47 -1.26 -0.74 114.94 119.96 1xe0 s ASN 17 Ca 0.30 -0.29 0.05 0.00 0.42 0.00 0.00 52.86 53.34 1xe0 s ASN 17 Cb -0.05 -0.82 -0.03 0.00 -1.45 0.00 0.00 41.25 38.90 1xe0 s ASN 17 CO 0.15 -0.09 -0.13 -0.36 -3.72 0.00 0.00 177.10 172.95 1xe0 s PHE 18 N 1.53 1.26 0.40 0.43 0.40 -0.45 -4.98 117.98 116.57 1xe0 s PHE 18 Ca 0.01 -0.55 -0.26 0.00 -0.60 0.00 0.00 56.93 55.54 1xe0 s PHE 18 Cb -0.13 -0.68 -0.08 0.00 0.51 0.00 0.00 43.02 42.63 1xe0 s PHE 18 CO -0.06 0.08 1.24 -0.51 0.70 0.00 0.00 175.22 176.67 1xe0 s LEU 19 N -2.22 4.20 -0.04 -0.37 1.43 -1.26 -0.02 118.68 120.41 1xe0 s LEU 19 Ca 0.04 2.50 0.04 0.00 -1.03 0.00 0.00 54.13 55.69 1xe0 s LEU 19 Cb -0.06 -3.96 -0.00 0.00 0.03 0.00 0.00 46.19 42.19 1xe0 s LEU 19 CO 0.02 -0.77 -0.17 0.12 0.23 0.00 0.00 176.35 175.79 1xe0 s PHE 20 N -1.33 1.64 0.06 0.29 5.36 -0.36 -4.54 117.98 119.10 1xe0 s PHE 20 Ca 0.57 -0.44 -0.26 0.00 -0.96 0.00 0.00 56.93 55.84 1xe0 s PHE 20 Cb -0.34 -1.10 0.08 0.00 -0.34 0.00 0.00 43.02 41.31 1xe0 s PHE 20 CO 0.44 -0.14 0.68 0.20 -1.46 0.00 0.00 175.22 174.94 1xe0 s GLY 21 N -0.04 -0.57 0.08 13.12 0.00 -1.26 -1.46 107.32 117.19 1xe0 s GLY 21 Ca -0.02 0.88 -0.12 0.00 0.00 0.00 0.00 44.72 45.46 1xe0 s GLY 21 CO 0.02 0.46 0.27 0.00 0.00 0.00 0.00 173.10 173.85 1xe0 s GLU 23 N -3.33 3.30 -0.03 0.00 2.12 -1.26 -1.18 118.70 118.32 1xe0 s GLU 23 Ca 0.01 -0.66 0.07 0.00 0.36 0.00 0.00 54.97 54.75 1xe0 s GLU 23 Cb 0.02 -2.63 -0.02 0.00 0.26 0.00 0.00 34.13 31.76 1xe0 s GLU 23 CO -0.08 0.28 -0.24 -0.51 -0.54 0.00 0.00 175.26 174.17 1xe0 s LEU 24 N 0.18 2.04 0.31 2.70 1.43 0.46 -4.93 118.68 120.88 1xe0 s LEU 24 Ca -0.07 -0.44 -0.18 0.00 -1.03 0.00 0.00 54.13 52.41 1xe0 s LEU 24 Cb -0.15 -1.25 0.03 0.00 0.03 0.00 0.00 46.19 44.85 1xe0 s LEU 24 CO 0.05 0.28 0.70 -1.59 0.23 0.00 0.00 176.35 176.02 1xe0 s LYS 25 N -0.48 1.90 0.29 1.70 -2.85 -0.28 0.31 119.74 120.34 1xe0 s LYS 25 Ca 0.07 -1.19 -0.01 0.00 -1.00 0.00 0.00 55.97 53.83 1xe0 s LYS 25 Cb -0.10 0.59 0.46 0.00 -2.06 0.00 0.00 37.83 36.72 1xe0 s LYS 25 CO -0.00 -0.87 1.94 0.00 0.10 0.00 0.00 175.35 176.52 1xe0 h ALA 26 N 2.04 1.44 0.00 0.59 0.00 -1.57 0.17 119.26 121.93 1xe0 h ALA 26 Ca -0.24 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1xe0 h ALA 26 Cb 1.25 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1xe0 h ALA 26 CO 0.31 0.47 0.00 -0.44 0.00 0.00 0.00 179.25 179.59 1xe0 h ASP 27 N 1.11 0.00 -2.24 0.00 3.32 -1.97 -3.38 116.42 113.27 1xe0 h ASP 27 Ca 0.35 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.86 1xe0 h ASP 27 Cb 0.02 0.00 -0.36 0.00 0.22 0.00 0.00 39.33 39.21 1xe0 h ASP 27 CO -0.11 0.00 -0.91 -0.75 -1.72 0.00 0.00 179.24 175.75 1xe0 s LYS 28 N -3.16 0.88 0.38 3.56 2.20 0.52 -5.03 119.74 119.10 1xe0 s LYS 28 Ca 0.09 -1.91 0.26 0.00 -0.36 0.00 0.00 55.97 54.05 1xe0 s LYS 28 Cb 0.11 -1.25 0.75 0.00 -1.51 0.00 0.00 37.83 35.93 1xe0 s LYS 28 CO 0.56 -1.36 1.74 0.87 -0.36 0.00 0.00 175.35 176.80 1xe0 h LYS 29 N 5.72 0.00 -5.86 4.03 1.57 -1.53 -0.73 116.57 119.76 1xe0 h LYS 29 Ca 0.23 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.50 1xe0 h LYS 29 Cb 0.94 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 33.04 1xe0 h LYS 29 CO 0.32 0.00 -0.80 -1.21 -0.57 0.00 0.00 179.45 177.19 1xe0 s GLU 30 N -3.29 1.07 -0.07 3.15 2.02 -1.26 -0.67 118.70 119.65 1xe0 s GLU 30 Ca 0.06 -1.17 -0.01 0.00 0.02 0.00 0.00 54.97 53.88 1xe0 s GLU 30 Cb 0.08 -1.20 0.03 0.00 0.10 0.00 0.00 34.13 33.14 1xe0 s GLU 30 CO 0.59 0.27 -0.02 -0.47 0.02 0.00 0.00 175.26 175.65 1xe0 s TYR 31 N -1.44 0.81 -0.33 1.61 5.04 0.47 -4.99 117.35 118.51 1xe0 s TYR 31 Ca 0.06 -0.26 -0.17 0.00 -2.44 0.00 0.00 57.07 54.27 1xe0 s TYR 31 Cb -0.09 -0.85 -0.01 0.00 0.35 0.00 0.00 41.96 41.36 1xe0 s TYR 31 CO 0.04 -0.34 0.44 0.45 -1.34 0.00 0.00 175.55 174.80 1xe0 s SER 32 N 1.78 6.27 -0.35 4.32 0.15 -1.26 0.02 113.70 124.62 1xe0 s SER 32 Ca 0.03 0.00 -0.13 0.00 0.70 0.00 0.00 55.95 56.54 1xe0 s SER 32 Cb -0.13 -2.23 -0.01 0.00 -1.71 0.00 0.00 66.02 61.94 1xe0 s SER 32 CO -0.05 -0.37 0.27 0.12 1.20 0.00 0.00 173.24 174.41 1xe0 s PHE 33 N 2.20 3.23 0.06 3.44 5.36 0.41 -5.00 117.98 127.68 1xe0 s PHE 33 Ca 0.16 -0.23 0.02 0.00 -0.96 0.00 0.00 56.93 55.92 1xe0 s PHE 33 Cb -0.16 -2.52 -0.03 0.00 -0.34 0.00 0.00 43.02 39.97 1xe0 s PHE 33 CO 0.12 -0.40 -0.08 0.15 -1.46 0.00 0.00 175.22 173.55 1xe0 s LYS 34 N 1.76 0.65 0.14 10.12 1.02 -1.26 -1.78 119.74 130.39 1xe0 s LYS 34 Ca 0.07 -0.97 0.01 0.00 0.02 0.00 0.00 55.97 55.10 1xe0 s LYS 34 Cb -0.17 -0.28 -0.04 0.00 -0.52 0.00 0.00 37.83 36.81 1xe0 s LYS 34 CO 0.11 0.03 -0.01 0.14 -0.92 0.00 0.00 175.35 174.70 1xe0 s VAL 35 N -2.18 0.52 0.33 3.17 -7.23 -1.26 -5.09 120.40 108.66 1xe0 s VAL 35 Ca -0.02 -1.94 0.00 0.00 -1.81 0.00 0.00 61.98 58.21 1xe0 s VAL 35 Cb -0.05 -1.94 -0.00 0.00 0.56 0.00 0.00 36.38 34.95 1xe0 s VAL 35 CO -0.01 -0.62 0.01 -0.62 -0.31 0.00 0.00 175.10 173.55 1xe0 n GLU 36 N -0.13 1.15 0.00 4.82 -0.58 -1.26 -5.04 120.64 119.60 1xe0 n GLU 36 Ca -0.08 -2.40 0.00 0.00 -0.42 0.00 0.00 57.16 54.26 1xe0 n GLU 36 Cb 0.62 0.70 0.00 0.00 -0.57 0.00 0.00 31.44 32.19 1xe0 n GLU 36 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1xe0 n ASP 37 N -1.25 0.00 -1.34 1.62 8.00 -1.26 -5.08 116.55 117.24 1xe0 n ASP 37 Ca -0.13 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.37 1xe0 n ASP 37 Cb 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.52 1xe0 n ASP 37 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1xe0 n ASN 40 N 0.00 -7.30 -4.81 -2.24 3.02 -1.26 -5.17 115.26 97.50 1xe0 n ASN 40 Ca 0.00 1.39 -0.38 0.00 -0.03 0.00 0.00 54.58 55.57 1xe0 n ASN 40 Cb 0.00 -4.09 -0.06 0.00 -0.61 0.00 0.00 39.78 35.02 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 -4.76 4.29 -0.05 3.52 2.02 0.17 -4.90 118.70 118.99 1xe0 s GLU 41 Ca 0.00 0.86 0.03 0.00 0.02 0.00 0.00 54.97 55.88 1xe0 s GLU 41 Cb 0.00 -3.09 0.00 0.00 0.10 0.00 0.00 34.13 31.14 1xe0 s GLU 41 CO 0.00 0.53 -0.14 -1.01 0.02 0.00 0.00 175.26 174.66 1xe0 s HIS 42 N -1.29 1.45 0.02 1.61 3.76 -1.26 -0.63 115.29 118.94 1xe0 s HIS 42 Ca 0.36 -0.44 0.02 0.00 -0.15 0.00 0.00 55.06 54.86 1xe0 s HIS 42 Cb -0.19 -1.01 -0.01 0.00 1.11 0.00 0.00 32.58 32.48 1xe0 s HIS 42 CO 0.22 -0.18 -0.08 -1.14 -0.85 0.00 0.00 174.74 172.70 1xe0 s GLN 43 N 0.26 0.57 -0.26 1.40 0.74 -0.85 -4.40 119.66 117.12 1xe0 s GLN 43 Ca -0.07 -0.50 -0.11 0.00 0.05 0.00 0.00 55.36 54.73 1xe0 s GLN 43 Cb -0.12 -0.48 -0.05 0.00 1.10 0.00 0.00 33.01 33.46 1xe0 s GLN 43 CO 0.02 0.12 0.18 -1.17 -0.55 0.00 0.00 175.29 173.89 1xe0 s LEU 44 N -0.83 4.06 -0.39 3.68 2.96 -0.61 -0.80 118.68 126.75 1xe0 s LEU 44 Ca -0.02 0.06 -0.08 0.00 -0.22 0.00 0.00 54.13 53.86 1xe0 s LEU 44 Cb -0.06 -2.12 0.07 0.00 0.50 0.00 0.00 46.19 44.57 1xe0 s LEU 44 CO 0.00 -0.00 0.21 -0.55 -1.32 0.00 0.00 176.35 174.69 1xe0 s SER 45 N 1.44 5.52 0.17 3.68 0.15 0.18 -0.13 113.70 124.70 1xe0 s SER 45 Ca 0.08 -1.44 -0.30 0.00 0.70 0.00 0.00 55.95 54.99 1xe0 s SER 45 Cb -0.15 -1.94 -0.07 0.00 -1.71 0.00 0.00 66.02 62.15 1xe0 s SER 45 CO 0.08 -0.48 1.02 -0.76 1.20 0.00 0.00 173.24 174.30 1xe0 s LEU 46 N 1.40 4.53 -0.09 3.45 1.43 0.49 -1.35 118.68 128.53 1xe0 s LEU 46 Ca 0.02 1.96 -0.05 0.00 -1.03 0.00 0.00 54.13 55.03 1xe0 s LEU 46 Cb -0.22 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.36 1xe0 s LEU 46 CO 0.02 -0.08 -0.13 0.54 0.23 0.00 0.00 176.35 176.92 1xe0 n ARG 47 N 2.29 0.21 -3.99 1.70 5.12 0.47 -1.15 116.66 121.31 1xe0 n ARG 47 Ca 0.01 0.09 -0.09 0.00 -1.93 0.00 0.00 57.85 55.94 1xe0 n ARG 47 Cb 0.47 -0.86 -0.11 0.00 -1.16 0.00 0.00 32.46 30.81 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 -2.20 0.12 -0.08 0.55 -4.23 -1.06 -0.38 115.64 108.36 1xe0 s THR 48 Ca -0.14 -1.01 0.05 0.00 -1.18 0.00 0.00 61.69 59.41 1xe0 s THR 48 Cb 0.05 -0.41 -0.00 0.00 1.34 0.00 0.00 72.50 73.47 1xe0 s THR 48 CO 0.18 -0.56 -0.24 -0.69 -0.54 0.00 0.00 174.62 172.77 1xe0 s VAL 49 N -1.76 2.02 0.03 2.29 1.01 -0.09 -1.09 120.40 122.81 1xe0 s VAL 49 Ca -0.13 -1.02 -0.09 0.00 0.00 0.00 0.00 61.98 60.74 1xe0 s VAL 49 Cb -0.08 -1.73 0.00 0.00 0.00 0.00 0.00 36.38 34.57 1xe0 s VAL 49 CO -0.02 0.56 0.18 -0.94 0.00 0.00 0.00 175.10 174.87 1xe0 s SER 50 N 0.14 0.05 -0.03 3.32 1.04 -0.31 -1.31 113.70 116.59 1xe0 s SER 50 Ca -0.12 -0.36 -0.04 0.00 0.48 0.00 0.00 55.95 55.91 1xe0 s SER 50 Cb -0.16 0.27 -0.04 0.00 0.10 0.00 0.00 66.02 66.19 1xe0 s SER 50 CO 0.07 -0.52 0.18 -0.76 0.98 0.00 0.00 173.24 173.18 1xe0 s LEU 51 N -1.98 4.38 0.59 2.42 1.43 -0.35 -0.08 118.68 125.09 1xe0 s LEU 51 Ca -0.07 0.38 -0.03 0.00 -1.03 0.00 0.00 54.13 53.38 1xe0 s LEU 51 Cb -0.02 -2.50 0.03 0.00 0.03 0.00 0.00 46.19 43.73 1xe0 s LEU 51 CO -0.03 0.29 0.86 -0.83 0.23 0.00 0.00 176.35 176.87 1xe0 s GLY 52 N -1.74 1.69 0.48 -3.19 0.00 -0.38 -4.95 107.32 99.23 1xe0 s GLY 52 Ca 0.25 -1.01 0.14 0.00 0.00 0.00 0.00 44.72 44.10 1xe0 s GLY 52 CO 0.15 -0.71 2.07 0.00 0.00 0.00 0.00 173.10 174.61 1xe0 h ALA 53 N -0.13 1.83 -0.36 3.20 0.00 -1.98 -2.03 119.26 119.79 1xe0 h ALA 53 Ca -0.44 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1xe0 h ALA 53 Cb 1.29 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1xe0 h ALA 53 CO 0.57 0.13 0.00 -1.13 0.00 0.00 0.00 179.25 178.82 1xe0 n SER 54 N -4.44 3.34 -4.77 0.00 3.41 -1.26 -4.96 113.62 104.95 1xe0 n SER 54 Ca -0.02 -1.98 -0.41 0.00 -0.26 0.00 0.00 58.87 56.20 1xe0 n SER 54 Cb 0.16 -0.23 -0.02 0.00 -0.26 0.00 0.00 64.21 63.87 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 -1.55 3.47 0.47 7.33 0.00 -0.77 -4.80 121.76 125.92 1xe0 s ALA 55 Ca 0.38 1.30 -0.23 0.00 0.00 0.00 0.00 51.96 53.41 1xe0 s ALA 55 Cb 0.22 -3.50 -0.07 0.00 0.00 0.00 0.00 23.12 19.78 1xe0 s ALA 55 CO 0.31 -0.73 1.28 0.21 0.00 0.00 0.00 175.76 176.84 1xe0 s LYS 56 N -1.90 3.59 -0.88 0.00 2.20 -1.26 -4.89 119.74 116.60 1xe0 s LYS 56 Ca 0.51 2.07 -0.24 0.00 -0.36 0.00 0.00 55.97 57.94 1xe0 s LYS 56 Cb -0.41 -2.46 -0.18 0.00 -1.51 0.00 0.00 37.83 33.28 1xe0 s LYS 56 CO 0.54 -0.77 1.91 -3.47 -0.36 0.00 0.00 175.35 173.20 1xe0 n ASP 57 N -0.49 2.31 -3.87 1.43 2.03 -1.26 -4.64 116.55 112.06 1xe0 n ASP 57 Ca 0.07 -2.63 -0.10 0.00 0.52 0.00 0.00 54.79 52.66 1xe0 n ASP 57 Cb 0.45 -1.39 -0.05 0.00 -0.72 0.00 0.00 41.12 39.42 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 6.51 1.60 0.26 -0.67 -1.05 -1.26 -4.97 118.70 119.13 1xe0 s GLU 58 Ca 0.68 -1.34 -0.29 0.00 -0.15 0.00 0.00 54.97 53.86 1xe0 s GLU 58 Cb 0.05 0.46 -0.09 0.00 -0.44 0.00 0.00 34.13 34.11 1xe0 s GLU 58 CO 0.17 -0.66 1.21 -1.17 0.95 0.00 0.00 175.26 175.76 1xe0 s LEU 59 N -3.06 4.48 -0.07 1.83 2.96 -1.26 -4.42 118.68 119.14 1xe0 s LEU 59 Ca 0.24 2.40 0.04 0.00 -0.22 0.00 0.00 54.13 56.59 1xe0 s LEU 59 Cb -0.00 -3.63 -0.00 0.00 0.50 0.00 0.00 46.19 43.06 1xe0 s LEU 59 CO 0.11 -0.36 -0.21 -1.00 -1.32 0.00 0.00 176.35 173.57 1xe0 s HIS 60 N -0.72 2.17 -0.11 5.38 3.76 0.34 -3.55 115.29 122.56 1xe0 s HIS 60 Ca 0.49 -0.77 0.03 0.00 -0.15 0.00 0.00 55.06 54.66 1xe0 s HIS 60 Cb -0.35 -1.46 0.01 0.00 1.11 0.00 0.00 32.58 31.89 1xe0 s HIS 60 CO 0.43 -0.30 -0.21 0.08 -0.85 0.00 0.00 174.74 173.89 1xe0 s VAL 61 N 0.22 1.89 -0.09 -0.90 1.01 -0.05 -1.05 120.40 121.43 1xe0 s VAL 61 Ca -0.12 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 60.98 1xe0 s VAL 61 Cb -0.15 -1.66 -0.02 0.00 0.00 0.00 0.00 36.38 34.55 1xe0 s VAL 61 CO 0.05 0.52 -0.15 -0.69 0.00 0.00 0.00 175.10 174.83 1xe0 s VAL 62 N 0.60 2.90 0.18 2.92 1.01 -0.21 -0.75 120.40 127.04 1xe0 s VAL 62 Ca -0.13 -0.75 0.06 0.00 0.00 0.00 0.00 61.98 61.17 1xe0 s VAL 62 Cb -0.17 -2.17 -0.05 0.00 0.00 0.00 0.00 36.38 34.00 1xe0 s VAL 62 CO 0.04 0.56 -0.13 -1.83 0.00 0.00 0.00 175.10 173.73 1xe0 s GLU 63 N -0.11 1.21 0.02 2.72 -1.05 0.06 -0.25 118.70 121.30 1xe0 s GLU 63 Ca -0.02 -1.51 0.08 0.00 -0.15 0.00 0.00 54.97 53.37 1xe0 s GLU 63 Cb -0.14 -0.94 -0.02 0.00 -0.44 0.00 0.00 34.13 32.59 1xe0 s GLU 63 CO 0.04 0.15 -0.24 0.00 0.95 0.00 0.00 175.26 176.15 1xe0 s ALA 64 N -3.02 2.07 -0.09 -0.84 0.00 0.13 -0.73 121.76 119.29 1xe0 s ALA 64 Ca 0.19 -1.14 -0.00 0.00 0.00 0.00 0.00 51.96 51.01 1xe0 s ALA 64 Cb -0.00 -0.46 0.02 0.00 0.00 0.00 0.00 23.12 22.68 1xe0 s ALA 64 CO 0.04 0.49 -0.05 -2.00 0.00 0.00 0.00 175.76 174.24 1xe0 s GLU 65 N -0.97 1.19 0.03 0.00 2.12 0.07 -1.30 118.70 119.84 1xe0 s GLU 65 Ca 0.10 -0.14 -0.10 0.00 0.36 0.00 0.00 54.97 55.19 1xe0 s GLU 65 Cb -0.09 -1.31 0.03 0.00 0.26 0.00 0.00 34.13 33.02 1xe0 s GLU 65 CO 0.01 -0.24 0.47 0.41 -0.54 0.00 0.00 175.26 175.37 1xe0 n GLY 66 N 4.85 0.71 3.82 -1.50 0.00 -0.91 -0.92 105.19 111.23 1xe0 n GLY 66 Ca -0.13 -0.96 -0.36 0.00 0.00 0.00 0.00 46.02 44.57 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 -2.22 4.66 0.65 -0.61 -1.09 -1.26 -1.05 121.20 120.28 1xe0 s ILE 67 Ca 0.11 1.18 0.01 0.00 -2.23 0.00 0.00 60.65 59.71 1xe0 s ILE 67 Cb -0.01 -3.85 0.13 0.00 -1.58 0.00 0.00 42.46 37.15 1xe0 s ILE 67 CO 0.01 0.29 0.89 -0.46 -1.23 0.00 0.00 174.94 174.43 1xe0 n ASN 68 N 0.94 1.28 0.14 3.58 6.94 0.37 -4.92 115.26 123.59 1xe0 n ASN 68 Ca -0.04 -2.06 0.13 0.00 -0.02 0.00 0.00 54.58 52.59 1xe0 n ASN 68 Cb 0.51 -0.57 0.47 0.00 -2.36 0.00 0.00 39.78 37.83 1xe0 n ASN 68 CO 0.00 0.00 0.00 0.10 -1.03 0.00 0.00 177.26 176.33 1xe0 h TYR 69 N -0.53 0.00 -0.07 -2.53 -0.00 -1.98 -0.54 116.97 111.32 1xe0 h TYR 69 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.44 1xe0 h TYR 69 Cb 1.11 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.84 1xe0 h TYR 69 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 178.16 178.55 1xe0 n GLU 70 N -2.40 1.88 -0.62 0.10 1.02 -1.26 -4.98 120.64 114.38 1xe0 n GLU 70 Ca 0.03 -1.29 0.00 0.00 -0.02 0.00 0.00 57.16 55.89 1xe0 n GLU 70 Cb 0.32 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 30.28 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 1.23 0.68 3.89 0.62 0.00 -0.21 -5.07 105.19 106.32 1xe0 n GLY 71 Ca 0.17 -0.10 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.51 3.49 -0.24 1.61 1.02 -1.26 -4.81 119.74 119.05 1xe0 s LYS 72 Ca 0.00 -0.17 -0.27 0.00 0.02 0.00 0.00 55.97 55.55 1xe0 s LYS 72 Cb 0.00 -3.13 0.00 0.00 -0.52 0.00 0.00 37.83 34.19 1xe0 s LYS 72 CO 0.00 0.70 0.95 0.99 -0.92 0.00 0.00 175.35 177.07 1xe0 s THR 73 N -1.22 4.74 0.33 2.17 2.01 -1.26 -0.48 115.64 121.93 1xe0 s THR 73 Ca 0.23 1.80 0.08 0.00 0.31 0.00 0.00 61.69 64.12 1xe0 s THR 73 Cb -0.13 -4.23 -0.06 0.00 0.01 0.00 0.00 72.50 68.09 1xe0 s THR 73 CO 0.13 -0.15 -0.07 0.27 -0.69 0.00 0.00 174.62 174.10 1xe0 s ILE 74 N 3.07 2.03 -0.06 1.82 -4.36 -0.21 -4.96 121.20 118.53 1xe0 s ILE 74 Ca 0.40 -2.16 0.05 0.00 -0.26 0.00 0.00 60.65 58.68 1xe0 s ILE 74 Cb -0.15 -2.62 -0.01 0.00 1.25 0.00 0.00 42.46 40.93 1xe0 s ILE 74 CO 0.07 -0.21 -0.22 -0.54 0.24 0.00 0.00 174.94 174.28 1xe0 s LYS 75 N -3.66 2.30 0.02 0.37 1.02 -1.26 -2.15 119.74 116.39 1xe0 s LYS 75 Ca 0.32 -0.80 0.06 0.00 0.02 0.00 0.00 55.97 55.57 1xe0 s LYS 75 Cb 0.04 -1.95 -0.02 0.00 -0.52 0.00 0.00 37.83 35.38 1xe0 s LYS 75 CO 0.15 0.32 -0.18 0.96 -0.92 0.00 0.00 175.35 175.68 1xe0 s ILE 76 N -0.06 1.41 -0.27 2.17 -4.36 -0.42 -4.97 121.20 114.70 1xe0 s ILE 76 Ca -0.05 -0.98 -0.23 0.00 -0.26 0.00 0.00 60.65 59.13 1xe0 s ILE 76 Cb -0.13 -1.22 -0.01 0.00 1.25 0.00 0.00 42.46 42.35 1xe0 s ILE 76 CO 0.03 0.21 0.75 0.00 0.24 0.00 0.00 174.94 176.18 1xe0 s ALA 77 N -0.68 3.60 -0.05 2.27 0.00 -1.26 -0.69 121.76 124.95 1xe0 s ALA 77 Ca 0.06 -0.33 -0.15 0.00 0.00 0.00 0.00 51.96 51.54 1xe0 s ALA 77 Cb -0.08 -3.21 -0.31 0.00 0.00 0.00 0.00 23.12 19.52 1xe0 s ALA 77 CO 0.01 -0.99 0.72 -0.07 0.00 0.00 0.00 175.76 175.43 1xe0 h LEU 78 N 9.20 0.58 -7.00 0.00 3.38 -0.95 -3.48 115.31 117.04 1xe0 h LEU 78 Ca -0.25 -0.91 0.03 0.00 0.09 0.00 0.00 57.88 56.84 1xe0 h LEU 78 Cb 1.10 -0.19 -0.22 0.00 0.09 0.00 0.00 40.66 41.44 1xe0 h LEU 78 CO 0.85 1.69 0.41 0.00 0.09 0.00 0.00 178.44 181.47 1xe0 s ALA 79 N -2.54 -1.88 -0.17 1.53 0.00 -1.06 -5.02 121.76 112.63 1xe0 s ALA 79 Ca -0.16 1.57 -0.01 0.00 0.00 0.00 0.00 51.96 53.37 1xe0 s ALA 79 Cb 0.04 -0.62 -0.00 0.00 0.00 0.00 0.00 23.12 22.54 1xe0 s ALA 79 CO 0.84 -0.32 -0.13 -1.12 0.00 0.00 0.00 175.76 175.03 1xe0 s SER 80 N -0.89 3.78 0.10 0.00 0.01 -1.26 -1.05 113.70 114.39 1xe0 s SER 80 Ca -0.04 -0.45 0.03 0.00 1.31 0.00 0.00 55.95 56.80 1xe0 s SER 80 Cb -0.01 -1.60 -0.04 0.00 0.21 0.00 0.00 66.02 64.58 1xe0 s SER 80 CO 0.03 0.06 -0.08 -0.76 0.41 0.00 0.00 173.24 172.90 1xe0 s LEU 81 N 0.95 2.44 -0.23 2.44 1.43 -0.22 -4.96 118.68 120.54 1xe0 s LEU 81 Ca -0.02 -0.88 -0.12 0.00 -1.03 0.00 0.00 54.13 52.07 1xe0 s LEU 81 Cb -0.15 -0.20 0.07 0.00 0.03 0.00 0.00 46.19 45.94 1xe0 s LEU 81 CO -0.02 -0.34 0.55 -0.75 0.23 0.00 0.00 176.35 176.03 1xe0 s LYS 82 N -3.17 0.55 0.51 1.70 2.20 -0.80 -0.50 119.74 120.22 1xe0 s LYS 82 Ca 0.08 1.04 0.20 0.00 -0.36 0.00 0.00 55.97 56.93 1xe0 s LYS 82 Cb 0.00 0.11 1.30 0.00 -1.51 0.00 0.00 37.83 37.73 1xe0 s LYS 82 CO -0.02 -0.16 2.05 -1.35 -0.36 0.00 0.00 175.35 175.51 1xe0 h PRO 83 N 7.16 0.05 -0.36 4.03 0.11 -1.81 0.14 132.00 141.31 1xe0 h PRO 83 Ca -0.32 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1xe0 h PRO 83 Cb 1.20 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1xe0 h PRO 83 CO 0.21 0.04 0.00 -1.13 -0.21 0.00 0.00 178.00 176.91 1xe0 n SER 84 N -4.45 3.37 0.00 -2.05 3.41 -1.26 -4.36 113.62 108.28 1xe0 n SER 84 Ca 0.05 -1.97 0.00 0.00 -0.26 0.00 0.00 58.87 56.69 1xe0 n SER 84 Cb 0.39 -0.23 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 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 1.41 0.00 -3.13 -3.33 0.31 -0.60 -5.03 118.33 107.97 1xe0 n VAL 85 Ca 0.18 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.42 1xe0 n VAL 85 Cb 0.59 -1.08 -0.03 0.00 -0.91 0.00 0.00 33.84 32.40 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 -1.97 0.87 0.50 5.55 0.74 0.38 -4.99 119.66 120.74 1xe0 s GLN 86 Ca 0.00 -0.91 0.28 0.00 0.05 0.00 0.00 55.36 54.78 1xe0 s GLN 86 Cb 0.00 -0.35 0.85 0.00 1.10 0.00 0.00 33.01 34.61 1xe0 s GLN 86 CO 0.00 -1.26 1.80 -1.00 -0.55 0.00 0.00 175.29 174.28 1xe0 h PRO 87 N 6.21 0.00 -4.84 1.67 0.13 -1.73 -2.14 132.00 131.30 1xe0 h PRO 87 Ca 0.08 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.87 1xe0 h PRO 87 Cb 1.09 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.00 1xe0 h PRO 87 CO 0.13 0.00 -0.76 0.99 -0.23 0.00 0.00 178.00 178.14 1xe0 s THR 88 N -3.44 0.75 -0.04 1.56 2.01 -1.26 -1.21 115.64 114.01 1xe0 s THR 88 Ca 0.04 -1.04 0.02 0.00 0.31 0.00 0.00 61.69 61.02 1xe0 s THR 88 Cb 0.07 -0.75 0.01 0.00 0.01 0.00 0.00 72.50 71.84 1xe0 s THR 88 CO 0.61 -0.24 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.54 1xe0 s VAL 89 N -1.15 0.68 -0.26 3.82 1.01 -0.43 -5.01 120.40 119.06 1xe0 s VAL 89 Ca -0.05 -0.25 -0.11 0.00 0.00 0.00 0.00 61.98 61.57 1xe0 s VAL 89 Cb -0.09 -0.65 -0.05 0.00 0.00 0.00 0.00 36.38 35.59 1xe0 s VAL 89 CO 0.01 0.24 0.17 -0.55 0.00 0.00 0.00 175.10 174.97 1xe0 s SER 90 N 0.59 6.04 0.33 3.32 0.15 -1.26 -0.91 113.70 121.95 1xe0 s SER 90 Ca -0.09 0.05 0.23 0.00 0.70 0.00 0.00 55.95 56.83 1xe0 s SER 90 Cb -0.12 -2.10 0.18 0.00 -1.71 0.00 0.00 66.02 62.27 1xe0 s SER 90 CO 0.01 0.01 1.35 -0.07 1.20 0.00 0.00 173.24 175.74 1xe0 h LEU 91 N 7.92 0.00 0.01 3.45 3.38 -0.95 -3.49 115.31 125.63 1xe0 h LEU 91 Ca -0.37 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.60 1xe0 h LEU 91 Cb 1.18 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.93 1xe0 h LEU 91 CO 0.61 0.02 -0.00 0.61 0.09 0.00 0.00 178.44 179.76 1xe0 n GLY 92 N 1.14 0.42 0.71 0.83 0.00 -1.22 -3.89 105.19 103.17 1xe0 n GLY 92 Ca 0.02 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.97 0.90 3.57 -0.02 0.00 -0.62 -5.02 105.19 101.02 1xe0 n GLY 93 Ca -0.00 -0.57 -0.41 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.47 2.21 0.02 1.61 5.99 -0.30 -4.74 117.98 120.29 1xe0 s PHE 94 Ca 0.00 0.41 -0.30 0.00 0.00 0.00 0.00 56.93 57.05 1xe0 s PHE 94 Cb 0.00 -4.40 -0.04 0.00 0.00 0.00 0.00 43.02 38.58 1xe0 s PHE 94 CO 0.00 -2.04 0.96 -1.21 -0.00 0.00 0.00 175.22 172.93 1xe0 s GLU 95 N 5.73 4.58 -0.02 10.12 2.02 -1.26 -0.38 118.70 139.49 1xe0 s GLU 95 Ca 0.51 1.39 0.03 0.00 0.02 0.00 0.00 54.97 56.93 1xe0 s GLU 95 Cb -0.11 -3.44 -0.00 0.00 0.10 0.00 0.00 34.13 30.68 1xe0 s GLU 95 CO 0.23 0.02 -0.12 0.42 0.02 0.00 0.00 175.26 175.83 1xe0 s ILE 96 N 0.77 0.95 -0.21 -1.63 1.01 0.81 -4.99 121.20 117.91 1xe0 s ILE 96 Ca 0.50 -0.48 -0.21 0.00 0.00 0.00 0.00 60.65 60.46 1xe0 s ILE 96 Cb -0.21 -0.81 -0.02 0.00 0.01 0.00 0.00 42.46 41.42 1xe0 s ILE 96 CO 0.28 0.28 0.63 -0.89 0.00 0.00 0.00 174.94 175.23 1xe0 s THR 97 N -0.06 5.02 0.45 2.92 2.01 -1.26 -1.57 115.64 123.15 1xe0 s THR 97 Ca 0.01 1.17 -0.22 0.00 0.31 0.00 0.00 61.69 62.96 1xe0 s THR 97 Cb -0.07 -3.94 -0.11 0.00 0.01 0.00 0.00 72.50 68.38 1xe0 s THR 97 CO 0.00 0.10 0.61 -2.65 -0.69 0.00 0.00 174.62 171.98 1xe0 n PRO 98 N 5.17 0.66 -2.85 4.92 -0.02 -1.26 -4.45 135.00 137.16 1xe0 n PRO 98 Ca -0.01 0.24 -0.32 0.00 -2.02 0.00 0.00 63.50 61.39 1xe0 n PRO 98 Cb 0.50 -1.62 -0.05 0.00 -0.02 0.00 0.00 33.50 32.30 1xe0 n PRO 98 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1xe0 s PRO 99 N -1.74 4.01 -0.02 0.52 0.04 -1.26 -5.03 135.00 131.52 1xe0 s PRO 99 Ca 0.64 0.81 -0.02 0.00 0.04 0.00 0.00 61.00 62.48 1xe0 s PRO 99 Cb -0.56 -2.30 0.01 0.00 0.04 0.00 0.00 34.50 31.69 1xe0 s PRO 99 CO 0.57 -0.01 0.05 0.54 0.04 0.00 0.00 177.00 178.19 1xe0 s VAL 100 N -2.24 -0.00 -0.14 -0.36 0.11 -0.73 -4.62 120.40 112.41 1xe0 s VAL 100 Ca 0.57 0.01 -0.11 0.00 -2.93 0.00 0.00 61.98 59.51 1xe0 s VAL 100 Cb -0.10 -0.08 -0.05 0.00 -1.53 0.00 0.00 36.38 34.62 1xe0 s VAL 100 CO 0.21 0.00 0.23 -0.63 -3.33 0.00 0.00 175.10 171.58 1xe0 s ILE 101 N 0.06 5.35 -0.14 7.04 1.01 -0.10 -0.44 121.20 133.98 1xe0 s ILE 101 Ca -0.00 0.41 -0.05 0.00 0.00 0.00 0.00 60.65 61.01 1xe0 s ILE 101 Cb -0.01 -3.54 -0.04 0.00 0.01 0.00 0.00 42.46 38.88 1xe0 s ILE 101 CO -0.00 0.48 0.04 -0.76 0.00 0.00 0.00 174.94 174.70 1xe0 s LEU 102 N -0.13 3.73 0.00 2.97 1.43 0.10 -0.75 118.68 126.04 1xe0 s LEU 102 Ca 0.15 0.13 -0.02 0.00 -1.03 0.00 0.00 54.13 53.36 1xe0 s LEU 102 Cb -0.13 -1.90 -0.01 0.00 0.03 0.00 0.00 46.19 44.18 1xe0 s LEU 102 CO 0.04 0.28 0.03 -0.60 0.23 0.00 0.00 176.35 176.32 1xe0 s ARG 103 N -0.26 0.21 -0.91 1.70 3.52 0.09 -0.40 118.95 122.92 1xe0 s ARG 103 Ca 0.07 -0.26 -0.20 0.00 -0.13 0.00 0.00 55.73 55.21 1xe0 s ARG 103 Cb -0.12 0.08 0.11 0.00 -1.56 0.00 0.00 34.95 33.46 1xe0 s ARG 103 CO 0.02 -0.04 1.16 -1.17 -0.81 0.00 0.00 175.30 174.46 1xe0 s LEU 104 N -0.75 4.69 0.21 -0.88 2.96 0.15 -0.76 118.68 124.30 1xe0 s LEU 104 Ca -0.08 -1.79 -0.05 0.00 -0.22 0.00 0.00 54.13 51.99 1xe0 s LEU 104 Cb -0.05 -2.43 0.16 0.00 0.50 0.00 0.00 46.19 44.37 1xe0 s LEU 104 CO -0.00 -1.19 1.62 0.50 -1.32 0.00 0.00 176.35 175.96 1xe0 h LYS 105 N 9.10 0.82 -3.47 1.98 3.64 -1.26 -3.46 116.57 123.93 1xe0 h LYS 105 Ca 0.10 -0.33 -0.07 0.00 -1.27 0.00 0.00 60.65 59.08 1xe0 h LYS 105 Cb 1.03 -0.04 -0.14 0.00 -0.41 0.00 0.00 32.23 32.66 1xe0 h LYS 105 CO 1.17 0.95 -0.21 -1.54 -2.27 0.00 0.00 179.45 177.56 1xe0 s SER 106 N -6.74 -0.10 0.00 4.20 1.04 -1.19 -4.97 113.70 105.94 1xe0 s SER 106 Ca -0.10 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 55.97 1xe0 s SER 106 Cb 0.13 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.65 1xe0 s SER 106 CO 0.84 -0.74 0.00 0.61 0.98 0.00 0.00 173.24 174.93 1xe0 n GLY 107 N 0.07 2.41 0.30 7.32 0.00 -1.23 -0.87 105.19 113.19 1xe0 n GLY 107 Ca -0.17 -1.79 -0.04 0.00 0.00 0.00 0.00 46.02 44.02 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 0.82 -3.66 1.61 4.64 -1.90 -3.40 113.55 111.67 1xe0 h SER 108 Ca 0.00 -0.17 0.08 0.00 -0.47 0.00 0.00 61.79 61.23 1xe0 h SER 108 Cb 0.00 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 61.85 1xe0 h SER 108 CO 0.00 0.83 -0.10 0.61 -0.87 0.00 0.00 176.83 177.30 1xe0 n GLY 109 N -0.76 -2.08 3.78 -0.77 0.00 -1.26 -1.74 105.19 102.36 1xe0 n GLY 109 Ca 0.04 -1.41 -0.36 0.00 0.00 0.00 0.00 46.02 44.29 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 -0.96 3.88 -0.03 1.61 0.04 -1.26 -4.01 135.00 134.26 1xe0 s PRO 110 Ca 0.00 1.63 0.07 0.00 0.04 0.00 0.00 61.00 62.73 1xe0 s PRO 110 Cb 0.00 -2.39 -0.01 0.00 0.04 0.00 0.00 34.50 32.13 1xe0 s PRO 110 CO 0.00 -0.41 -0.23 0.08 0.04 0.00 0.00 177.00 176.47 1xe0 s VAL 111 N -1.65 1.87 -0.08 -0.36 1.01 0.15 -1.26 120.40 120.09 1xe0 s VAL 111 Ca 0.63 -0.99 -0.02 0.00 0.00 0.00 0.00 61.98 61.60 1xe0 s VAL 111 Cb -0.25 -1.56 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 1xe0 s VAL 111 CO 0.30 0.53 0.01 -0.31 0.00 0.00 0.00 175.10 175.62 1xe0 s TYR 112 N -0.38 3.17 -0.08 5.22 1.51 0.89 -0.40 117.35 127.27 1xe0 s TYR 112 Ca 0.04 0.19 0.04 0.00 -1.01 0.00 0.00 57.07 56.34 1xe0 s TYR 112 Cb -0.11 -1.78 -0.01 0.00 -0.11 0.00 0.00 41.96 39.96 1xe0 s TYR 112 CO 0.01 0.48 -0.22 0.08 -1.11 0.00 0.00 175.55 174.78 1xe0 s VAL 113 N -0.92 2.27 0.15 0.71 1.01 -0.33 -1.16 120.40 122.14 1xe0 s VAL 113 Ca 0.14 -0.97 0.07 0.00 0.00 0.00 0.00 61.98 61.22 1xe0 s VAL 113 Cb -0.11 -1.86 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 1xe0 s VAL 113 CO 0.03 0.56 -0.14 -0.44 0.00 0.00 0.00 175.10 175.11 1xe0 s SER 114 N 0.06 2.23 0.00 3.32 0.01 -0.25 -1.56 113.70 117.50 1xe0 s SER 114 Ca -0.09 -0.90 0.00 0.00 1.31 0.00 0.00 55.95 56.27 1xe0 s SER 114 Cb -0.15 -0.09 0.00 0.00 0.21 0.00 0.00 66.02 65.98 1xe0 s SER 114 CO 0.06 -0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.16 1xe0 n GLY 115 N 0.16 -0.86 3.40 3.44 0.00 -0.53 -0.39 105.19 110.40 1xe0 n GLY 115 Ca -0.12 -0.84 -0.31 0.00 0.00 0.00 0.00 46.02 44.74 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 -0.67 2.13 -0.31 1.61 -0.21 -0.46 -1.22 119.66 120.53 1xe0 s GLN 116 Ca 0.00 -0.92 -0.09 0.00 0.02 0.00 0.00 55.36 54.37 1xe0 s GLN 116 Cb 0.00 -2.15 0.00 0.00 1.00 0.00 0.00 33.01 31.86 1xe0 s GLN 116 CO 0.00 0.56 0.13 -1.58 -2.12 0.00 0.00 175.29 172.28 1xe0 s HIS 117 N -0.76 3.17 -0.13 0.91 5.65 0.97 -0.65 115.29 124.45 1xe0 s HIS 117 Ca 0.12 -0.75 -0.10 0.00 0.25 0.00 0.00 55.06 54.58 1xe0 s HIS 117 Cb -0.10 -2.33 -0.05 0.00 -1.18 0.00 0.00 32.58 28.93 1xe0 s HIS 117 CO 0.02 -0.51 0.20 -0.51 -0.65 0.00 0.00 174.74 173.29 1xe0 s LEU 118 N 1.57 4.33 -0.02 8.88 1.43 0.02 -1.34 118.68 133.54 1xe0 s LEU 118 Ca 0.04 0.48 0.02 0.00 -1.03 0.00 0.00 54.13 53.64 1xe0 s LEU 118 Cb -0.17 -2.20 0.00 0.00 0.03 0.00 0.00 46.19 43.85 1xe0 s LEU 118 CO 0.05 0.28 -0.07 0.54 0.23 0.00 0.00 176.35 177.38 1xe0 s VAL 119 N -0.40 0.60 0.00 -1.59 0.11 0.08 -2.02 120.40 117.18 1xe0 s VAL 119 Ca 0.15 -0.27 0.00 0.00 -2.93 0.00 0.00 61.98 58.93 1xe0 s VAL 119 Cb -0.13 -0.54 0.00 0.00 -1.53 0.00 0.00 36.38 34.18 1xe0 s VAL 119 CO 0.04 0.19 0.15 0.00 -3.33 0.00 0.00 175.10 172.15