#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 2.53 -0.03 -1.46 -0.21 0.38 -4.93 119.66 115.94 1xe0 s GLN 16 Ca 0.00 -0.83 0.05 0.00 0.02 0.00 0.00 55.36 54.60 1xe0 s GLN 16 Cb 0.00 -2.53 -0.01 0.00 1.00 0.00 0.00 33.01 31.47 1xe0 s GLN 16 CO 0.00 0.54 -0.19 0.54 -2.12 0.00 0.00 175.29 174.07 1xe0 s ASN 17 N -2.23 2.27 0.11 5.90 6.03 -1.26 -0.76 114.94 125.00 1xe0 s ASN 17 Ca 0.25 -0.36 0.05 0.00 -1.03 0.00 0.00 52.86 51.77 1xe0 s ASN 17 Cb -0.12 -0.41 -0.04 0.00 -3.03 0.00 0.00 41.25 37.65 1xe0 s ASN 17 CO 0.17 0.21 -0.13 -0.36 -2.03 0.00 0.00 177.10 174.96 1xe0 s PHE 18 N -0.26 1.31 0.61 1.54 0.40 -0.19 -4.96 117.98 116.44 1xe0 s PHE 18 Ca 0.03 -0.57 -0.18 0.00 -0.60 0.00 0.00 56.93 55.60 1xe0 s PHE 18 Cb -0.09 -0.69 -0.03 0.00 0.51 0.00 0.00 43.02 42.72 1xe0 s PHE 18 CO 0.01 0.11 1.19 -0.51 0.70 0.00 0.00 175.22 176.72 1xe0 s LEU 19 N -2.43 3.61 0.01 -0.37 1.43 -1.26 -0.16 118.68 119.51 1xe0 s LEU 19 Ca 0.08 2.33 0.00 0.00 -1.03 0.00 0.00 54.13 55.51 1xe0 s LEU 19 Cb -0.05 -4.59 -0.01 0.00 0.03 0.00 0.00 46.19 41.58 1xe0 s LEU 19 CO 0.02 -1.64 -0.02 0.12 0.23 0.00 0.00 176.35 175.06 1xe0 s PHE 20 N -1.72 0.17 -0.06 0.29 5.36 -0.51 -4.57 117.98 116.94 1xe0 s PHE 20 Ca 0.76 -0.16 -0.29 0.00 -0.96 0.00 0.00 56.93 56.27 1xe0 s PHE 20 Cb -0.29 -0.11 0.10 0.00 -0.34 0.00 0.00 43.02 42.38 1xe0 s PHE 20 CO 0.35 -0.05 0.84 0.20 -1.46 0.00 0.00 175.22 175.10 1xe0 s GLY 21 N -0.43 -0.43 0.06 13.12 0.00 -1.26 -1.03 107.32 117.34 1xe0 s GLY 21 Ca -0.04 1.46 -0.06 0.00 0.00 0.00 0.00 44.72 46.08 1xe0 s GLY 21 CO -0.00 0.78 0.12 0.00 0.00 0.00 0.00 173.10 173.99 1xe0 s GLU 23 N -3.49 3.35 -0.02 0.00 2.12 -1.26 -1.18 118.70 118.21 1xe0 s GLU 23 Ca 0.02 -0.53 0.06 0.00 0.36 0.00 0.00 54.97 54.88 1xe0 s GLU 23 Cb 0.04 -2.80 -0.01 0.00 0.26 0.00 0.00 34.13 31.62 1xe0 s GLU 23 CO -0.09 0.39 -0.21 -0.51 -0.54 0.00 0.00 175.26 174.31 1xe0 s LEU 24 N -0.05 2.02 0.30 2.70 1.43 0.29 -4.91 118.68 120.46 1xe0 s LEU 24 Ca 0.01 -0.38 -0.11 0.00 -1.03 0.00 0.00 54.13 52.61 1xe0 s LEU 24 Cb -0.13 -1.08 0.01 0.00 0.03 0.00 0.00 46.19 45.02 1xe0 s LEU 24 CO 0.03 0.24 0.56 -1.59 0.23 0.00 0.00 176.35 175.81 1xe0 s LYS 25 N -0.36 1.80 0.25 1.70 -2.85 -0.23 -0.70 119.74 119.35 1xe0 s LYS 25 Ca 0.05 -1.40 -0.05 0.00 -1.00 0.00 0.00 55.97 53.57 1xe0 s LYS 25 Cb -0.09 0.51 0.28 0.00 -2.06 0.00 0.00 37.83 36.46 1xe0 s LYS 25 CO 0.00 -0.78 1.86 0.00 0.10 0.00 0.00 175.35 176.53 1xe0 h ALA 26 N 2.14 1.19 -0.31 0.59 0.00 -1.28 0.11 119.26 121.70 1xe0 h ALA 26 Ca -0.27 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1xe0 h ALA 26 Cb 1.25 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1xe0 h ALA 26 CO 0.36 0.63 0.00 -0.40 0.00 0.00 0.00 179.25 179.84 1xe0 n ASP 27 N -4.32 1.79 -2.79 0.00 5.68 -1.26 -4.43 116.55 111.22 1xe0 n ASP 27 Ca 0.08 -2.03 -0.07 0.00 -0.50 0.00 0.00 54.79 52.28 1xe0 n ASP 27 Cb 0.12 -0.24 0.02 0.00 -1.14 0.00 0.00 41.12 39.89 1xe0 n ASP 27 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 1xe0 n LYS 28 N 0.42 0.62 0.19 0.11 0.00 -0.01 -5.04 118.16 114.44 1xe0 n LYS 28 Ca 0.11 -1.99 0.08 0.00 0.00 0.00 0.00 58.31 56.50 1xe0 n LYS 28 Cb 0.29 -1.47 0.13 0.00 0.00 0.00 0.00 35.03 33.99 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 4.64 0.00 -6.06 1.64 1.57 -1.69 -0.60 116.57 116.08 1xe0 h LYS 29 Ca -0.01 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.23 1xe0 h LYS 29 Cb 1.07 0.00 -0.20 0.00 0.08 0.00 0.00 32.23 33.18 1xe0 h LYS 29 CO 0.15 0.23 -0.81 -1.21 -0.57 0.00 0.00 179.45 177.23 1xe0 s GLU 30 N -3.14 1.17 -0.08 3.15 2.02 -1.26 0.07 118.70 120.63 1xe0 s GLU 30 Ca 0.05 -1.25 -0.01 0.00 0.02 0.00 0.00 54.97 53.79 1xe0 s GLU 30 Cb 0.06 -1.35 0.03 0.00 0.10 0.00 0.00 34.13 32.97 1xe0 s GLU 30 CO 0.70 0.30 -0.02 -0.47 0.02 0.00 0.00 175.26 175.78 1xe0 s TYR 31 N -1.49 0.90 -0.37 1.61 5.04 -0.22 -5.02 117.35 117.80 1xe0 s TYR 31 Ca 0.10 -0.33 -0.14 0.00 -2.44 0.00 0.00 57.07 54.26 1xe0 s TYR 31 Cb -0.08 -0.91 -0.00 0.00 0.35 0.00 0.00 41.96 41.31 1xe0 s TYR 31 CO 0.05 -0.37 0.29 0.45 -1.34 0.00 0.00 175.55 174.63 1xe0 s SER 32 N 1.83 6.10 -0.29 4.32 0.15 -1.26 -0.61 113.70 123.93 1xe0 s SER 32 Ca 0.04 -0.59 -0.19 0.00 0.70 0.00 0.00 55.95 55.91 1xe0 s SER 32 Cb -0.12 -2.16 -0.02 0.00 -1.71 0.00 0.00 66.02 62.01 1xe0 s SER 32 CO -0.06 -0.35 0.56 0.12 1.20 0.00 0.00 173.24 174.72 1xe0 s PHE 33 N 1.77 3.23 0.02 3.44 5.36 -0.19 -5.00 117.98 126.61 1xe0 s PHE 33 Ca 0.07 0.54 0.01 0.00 -0.96 0.00 0.00 56.93 56.58 1xe0 s PHE 33 Cb -0.18 -2.87 -0.02 0.00 -0.34 0.00 0.00 43.02 39.62 1xe0 s PHE 33 CO 0.11 -0.41 -0.04 0.15 -1.46 0.00 0.00 175.22 173.57 1xe0 s LYS 34 N 2.45 0.36 0.00 10.12 1.02 -1.26 -1.51 119.74 130.92 1xe0 s LYS 34 Ca 0.22 -0.64 0.00 0.00 0.02 0.00 0.00 55.97 55.58 1xe0 s LYS 34 Cb -0.15 0.01 0.00 0.00 -0.52 0.00 0.00 37.83 37.17 1xe0 s LYS 34 CO 0.11 -0.03 0.00 1.55 -0.92 0.00 0.00 175.35 176.06 1xe0 n VAL 35 N 1.59 0.00 0.00 3.17 3.14 -1.26 -5.11 118.33 119.86 1xe0 n VAL 35 Ca -0.24 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.14 1xe0 n VAL 35 Cb 0.55 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.33 1xe0 n VAL 35 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1xe0 n ASP 37 N 0.00 0.00 0.00 6.55 8.00 -1.26 -5.21 116.55 124.63 1xe0 n ASP 37 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1xe0 n ASP 37 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 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 4.61 0.00 -1.41 -2.24 10.43 -1.26 -5.05 116.55 121.63 1xe0 n ASP 38 Ca 0.00 0.00 0.01 0.00 2.57 0.00 0.00 54.79 57.37 1xe0 n ASP 38 Cb 0.00 0.00 -0.00 0.00 1.84 0.00 0.00 41.12 42.96 1xe0 n ASP 38 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 1xe0 n ASN 40 N -0.00 -5.99 -4.71 -2.24 3.02 -1.26 -5.21 115.26 98.86 1xe0 n ASN 40 Ca 0.00 1.32 -0.42 0.00 -0.03 0.00 0.00 54.58 55.45 1xe0 n ASN 40 Cb 0.00 -4.09 -0.03 0.00 -0.61 0.00 0.00 39.78 35.05 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 -4.99 4.58 0.05 3.52 2.02 -0.84 -4.97 118.70 118.06 1xe0 s GLU 41 Ca 0.00 1.47 0.09 0.00 0.02 0.00 0.00 54.97 56.55 1xe0 s GLU 41 Cb 0.00 -3.43 -0.03 0.00 0.10 0.00 0.00 34.13 30.77 1xe0 s GLU 41 CO 0.00 -0.01 -0.25 -1.01 0.02 0.00 0.00 175.26 174.01 1xe0 s HIS 42 N 0.77 2.36 -0.07 1.61 3.76 -1.26 -2.07 115.29 120.40 1xe0 s HIS 42 Ca 0.52 -0.39 -0.07 0.00 -0.15 0.00 0.00 55.06 54.97 1xe0 s HIS 42 Cb -0.23 -1.40 0.02 0.00 1.11 0.00 0.00 32.58 32.08 1xe0 s HIS 42 CO 0.29 0.15 0.19 -1.14 -0.85 0.00 0.00 174.74 173.38 1xe0 s GLN 43 N -1.29 0.26 -0.20 1.40 2.00 -0.30 -4.54 119.66 117.00 1xe0 s GLN 43 Ca 0.12 0.20 -0.09 0.00 -2.00 0.00 0.00 55.36 53.59 1xe0 s GLN 43 Cb -0.10 0.12 -0.05 0.00 0.80 0.00 0.00 33.01 33.79 1xe0 s GLN 43 CO 0.03 -0.04 0.11 -1.17 -0.50 0.00 0.00 175.29 173.72 1xe0 s LEU 44 N -0.06 4.08 -0.29 3.68 2.96 -0.17 -0.71 118.68 128.16 1xe0 s LEU 44 Ca -0.02 0.17 0.03 0.00 -0.22 0.00 0.00 54.13 54.10 1xe0 s LEU 44 Cb -0.02 -2.05 0.07 0.00 0.50 0.00 0.00 46.19 44.69 1xe0 s LEU 44 CO 0.00 0.17 -0.05 -0.55 -1.32 0.00 0.00 176.35 174.60 1xe0 s SER 45 N 0.43 4.55 0.11 3.68 0.15 -0.13 -0.03 113.70 122.47 1xe0 s SER 45 Ca 0.06 -1.67 -0.30 0.00 0.70 0.00 0.00 55.95 54.74 1xe0 s SER 45 Cb -0.12 -1.57 -0.06 0.00 -1.71 0.00 0.00 66.02 62.56 1xe0 s SER 45 CO -0.01 -0.26 1.12 -0.76 1.20 0.00 0.00 173.24 174.53 1xe0 s LEU 46 N 1.04 4.43 -0.19 3.45 1.43 0.08 -1.10 118.68 127.82 1xe0 s LEU 46 Ca -0.02 2.00 -0.08 0.00 -1.03 0.00 0.00 54.13 55.00 1xe0 s LEU 46 Cb -0.20 -3.59 -0.08 0.00 0.03 0.00 0.00 46.19 42.35 1xe0 s LEU 46 CO -0.06 -0.31 -0.23 0.54 0.23 0.00 0.00 176.35 176.52 1xe0 n ARG 47 N 3.10 0.40 -3.95 1.70 5.12 0.66 -1.46 116.66 122.23 1xe0 n ARG 47 Ca 0.05 0.17 -0.09 0.00 -1.93 0.00 0.00 57.85 56.05 1xe0 n ARG 47 Cb 0.47 -1.18 -0.10 0.00 -1.16 0.00 0.00 32.46 30.49 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 -2.34 0.13 -0.08 0.55 -4.23 -0.97 -1.13 115.64 107.57 1xe0 s THR 48 Ca -0.26 -1.10 0.03 0.00 -1.18 0.00 0.00 61.69 59.18 1xe0 s THR 48 Cb 0.10 -0.79 0.01 0.00 1.34 0.00 0.00 72.50 73.15 1xe0 s THR 48 CO 0.33 -0.61 -0.17 -0.69 -0.54 0.00 0.00 174.62 172.94 1xe0 s VAL 49 N -2.41 1.53 -0.01 2.29 1.01 -0.34 -0.74 120.40 121.72 1xe0 s VAL 49 Ca -0.07 -0.72 -0.09 0.00 0.00 0.00 0.00 61.98 61.11 1xe0 s VAL 49 Cb -0.03 -1.35 0.01 0.00 0.00 0.00 0.00 36.38 35.01 1xe0 s VAL 49 CO -0.04 0.44 0.18 -0.94 0.00 0.00 0.00 175.10 174.75 1xe0 s SER 50 N 0.49 -0.06 0.06 3.32 1.04 -0.30 -0.91 113.70 117.33 1xe0 s SER 50 Ca -0.16 -0.05 -0.11 0.00 0.48 0.00 0.00 55.95 56.11 1xe0 s SER 50 Cb -0.16 0.26 -0.06 0.00 0.10 0.00 0.00 66.02 66.16 1xe0 s SER 50 CO 0.06 -0.34 0.40 -0.76 0.98 0.00 0.00 173.24 173.57 1xe0 s LEU 51 N -1.15 4.38 0.62 2.42 1.43 -0.02 -0.77 118.68 125.59 1xe0 s LEU 51 Ca -0.12 0.83 -0.08 0.00 -1.03 0.00 0.00 54.13 53.73 1xe0 s LEU 51 Cb -0.06 -2.88 -0.00 0.00 0.03 0.00 0.00 46.19 43.28 1xe0 s LEU 51 CO 0.02 0.21 0.96 -0.83 0.23 0.00 0.00 176.35 176.94 1xe0 s GLY 52 N -1.59 1.61 0.39 -3.19 0.00 -0.12 -4.95 107.32 99.46 1xe0 s GLY 52 Ca 0.31 -0.49 0.19 0.00 0.00 0.00 0.00 44.72 44.72 1xe0 s GLY 52 CO 0.17 -0.20 1.75 0.00 0.00 0.00 0.00 173.10 174.81 1xe0 h ALA 53 N -0.29 2.23 -0.13 3.20 0.00 -1.98 -1.60 119.26 120.69 1xe0 h ALA 53 Ca -0.45 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1xe0 h ALA 53 Cb 1.24 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1xe0 h ALA 53 CO 0.62 -0.67 0.00 -1.13 0.00 0.00 0.00 179.25 178.07 1xe0 n SER 54 N -4.67 2.33 -4.76 0.00 3.41 -1.26 -4.95 113.62 103.72 1xe0 n SER 54 Ca 0.27 -1.78 -0.38 0.00 -0.26 0.00 0.00 58.87 56.71 1xe0 n SER 54 Cb 0.92 -0.08 0.02 0.00 -0.26 0.00 0.00 64.21 64.81 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 -1.84 2.95 0.40 7.33 0.00 -0.60 -4.78 121.76 125.22 1xe0 s ALA 55 Ca 0.34 1.18 -0.24 0.00 0.00 0.00 0.00 51.96 53.24 1xe0 s ALA 55 Cb 0.20 -3.49 -0.09 0.00 0.00 0.00 0.00 23.12 19.74 1xe0 s ALA 55 CO 0.30 -1.03 1.07 0.21 0.00 0.00 0.00 175.76 176.32 1xe0 s LYS 56 N -2.72 4.15 -1.11 0.00 2.20 -1.26 -4.89 119.74 116.11 1xe0 s LYS 56 Ca 0.66 1.57 -0.22 0.00 -0.36 0.00 0.00 55.97 57.62 1xe0 s LYS 56 Cb -0.36 -2.57 -0.01 0.00 -1.51 0.00 0.00 37.83 33.38 1xe0 s LYS 56 CO 0.43 -0.17 1.79 0.34 -0.36 0.00 0.00 175.35 177.38 1xe0 s ASP 57 N -1.49 5.82 0.19 1.43 2.15 -1.26 -4.63 116.67 118.88 1xe0 s ASP 57 Ca 0.57 -1.57 -0.12 0.00 0.43 0.00 0.00 52.55 51.86 1xe0 s ASP 57 Cb -0.24 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 39.81 1xe0 s ASP 57 CO 0.29 -2.19 0.38 -1.83 -0.17 0.00 0.00 175.17 171.65 1xe0 s GLU 58 N 5.73 1.28 0.22 4.34 -1.05 -1.26 -4.96 118.70 123.00 1xe0 s GLU 58 Ca 0.60 -1.11 -0.30 0.00 -0.15 0.00 0.00 54.97 54.02 1xe0 s GLU 58 Cb -0.01 0.43 -0.09 0.00 -0.44 0.00 0.00 34.13 34.02 1xe0 s GLU 58 CO 0.04 -0.50 1.33 -1.17 0.95 0.00 0.00 175.26 175.91 1xe0 s LEU 59 N -2.95 4.41 -0.05 1.83 2.96 -1.26 -4.39 118.68 119.23 1xe0 s LEU 59 Ca 0.16 2.48 0.06 0.00 -0.22 0.00 0.00 54.13 56.61 1xe0 s LEU 59 Cb 0.02 -3.62 -0.01 0.00 0.50 0.00 0.00 46.19 43.08 1xe0 s LEU 59 CO 0.01 -0.55 -0.25 -1.00 -1.32 0.00 0.00 176.35 173.24 1xe0 s HIS 60 N -0.07 2.38 -0.10 5.38 3.76 0.18 -3.68 115.29 123.14 1xe0 s HIS 60 Ca 0.56 -0.67 0.01 0.00 -0.15 0.00 0.00 55.06 54.81 1xe0 s HIS 60 Cb -0.38 -1.56 0.02 0.00 1.11 0.00 0.00 32.58 31.77 1xe0 s HIS 60 CO 0.41 -0.19 -0.13 0.08 -0.85 0.00 0.00 174.74 174.06 1xe0 s VAL 61 N -0.22 1.32 -0.14 -0.90 1.01 -0.18 -0.63 120.40 120.67 1xe0 s VAL 61 Ca -0.02 -0.52 -0.02 0.00 0.00 0.00 0.00 61.98 61.42 1xe0 s VAL 61 Cb -0.13 -1.23 -0.02 0.00 0.00 0.00 0.00 36.38 34.99 1xe0 s VAL 61 CO 0.03 0.41 -0.07 -0.69 0.00 0.00 0.00 175.10 174.77 1xe0 s VAL 62 N 1.14 3.56 0.19 2.92 1.01 -0.32 -0.74 120.40 128.16 1xe0 s VAL 62 Ca -0.04 -0.48 0.09 0.00 0.00 0.00 0.00 61.98 61.55 1xe0 s VAL 62 Cb -0.14 -2.53 -0.04 0.00 0.00 0.00 0.00 36.38 33.66 1xe0 s VAL 62 CO -0.03 0.51 -0.19 -1.83 0.00 0.00 0.00 175.10 173.56 1xe0 s GLU 63 N 0.28 1.39 0.03 2.72 -1.05 0.01 -0.46 118.70 121.63 1xe0 s GLU 63 Ca -0.06 -1.52 0.09 0.00 -0.15 0.00 0.00 54.97 53.34 1xe0 s GLU 63 Cb -0.15 -1.45 -0.03 0.00 -0.44 0.00 0.00 34.13 32.07 1xe0 s GLU 63 CO 0.04 0.29 -0.26 0.00 0.95 0.00 0.00 175.26 176.27 1xe0 s ALA 64 N -2.22 2.23 -0.11 -0.84 0.00 -0.21 -0.50 121.76 120.10 1xe0 s ALA 64 Ca 0.20 -1.24 -0.00 0.00 0.00 0.00 0.00 51.96 50.91 1xe0 s ALA 64 Cb -0.05 -0.49 0.02 0.00 0.00 0.00 0.00 23.12 22.61 1xe0 s ALA 64 CO 0.08 0.53 -0.08 -2.00 0.00 0.00 0.00 175.76 174.30 1xe0 s GLU 65 N -1.13 1.51 0.00 0.00 2.12 0.55 -0.79 118.70 120.96 1xe0 s GLU 65 Ca 0.11 -0.25 0.00 0.00 0.36 0.00 0.00 54.97 55.19 1xe0 s GLU 65 Cb -0.10 -1.57 0.00 0.00 0.26 0.00 0.00 34.13 32.72 1xe0 s GLU 65 CO 0.02 -0.26 0.00 0.41 -0.54 0.00 0.00 175.26 174.88 1xe0 n GLY 66 N 4.93 1.41 3.78 -1.50 0.00 -0.80 -1.47 105.19 111.54 1xe0 n GLY 66 Ca -0.13 -0.88 -0.39 0.00 0.00 0.00 0.00 46.02 44.63 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 -2.57 4.91 0.75 -0.61 -1.09 -1.26 -0.78 121.20 120.56 1xe0 s ILE 67 Ca 0.00 1.16 -0.03 0.00 -2.23 0.00 0.00 60.65 59.56 1xe0 s ILE 67 Cb 0.00 -3.89 0.14 0.00 -1.58 0.00 0.00 42.46 37.13 1xe0 s ILE 67 CO 0.00 0.46 1.04 0.54 -1.23 0.00 0.00 174.94 175.74 1xe0 s ASN 68 N -0.42 4.19 0.53 3.58 2.20 -0.40 -4.93 114.94 119.68 1xe0 s ASN 68 Ca 0.29 -0.30 0.19 0.00 -0.94 0.00 0.00 52.86 52.10 1xe0 s ASN 68 Cb -0.18 -0.03 1.35 0.00 -2.00 0.00 0.00 41.25 40.39 1xe0 s ASN 68 CO 0.16 -1.98 2.16 0.22 -2.94 0.00 0.00 177.10 174.72 1xe0 h TYR 69 N -0.67 0.00 0.00 1.54 5.03 -1.99 -0.87 116.97 120.01 1xe0 h TYR 69 Ca -0.37 0.00 0.00 0.00 2.58 0.00 0.00 58.73 60.94 1xe0 h TYR 69 Cb 1.26 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.54 1xe0 h TYR 69 CO -0.31 0.02 -0.17 0.93 -1.32 0.00 0.00 178.16 177.30 1xe0 h GLU 70 N 0.00 0.00 0.00 1.82 5.08 -2.04 -3.47 114.58 115.97 1xe0 h GLU 70 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1xe0 h GLU 70 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1xe0 h GLU 70 CO 0.00 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.42 1xe0 n GLY 71 N 1.15 0.93 3.81 -3.84 0.00 -0.33 -5.08 105.19 101.83 1xe0 n GLY 71 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 1xe0 n GLY 71 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xe0 s LYS 72 N -0.71 4.13 -0.14 1.61 2.47 -1.26 -4.77 119.74 121.06 1xe0 s LYS 72 Ca 0.00 0.63 -0.29 0.00 -1.56 0.00 0.00 55.97 54.74 1xe0 s LYS 72 Cb 0.00 -3.25 -0.03 0.00 -1.46 0.00 0.00 37.83 33.09 1xe0 s LYS 72 CO 0.00 0.61 1.40 0.99 0.16 0.00 0.00 175.35 178.52 1xe0 s THR 73 N -0.95 4.03 0.25 3.43 2.01 -1.26 -1.28 115.64 121.87 1xe0 s THR 73 Ca 0.27 1.24 0.11 0.00 0.31 0.00 0.00 61.69 63.62 1xe0 s THR 73 Cb -0.18 -3.82 -0.05 0.00 0.01 0.00 0.00 72.50 68.46 1xe0 s THR 73 CO 0.17 -0.14 -0.18 0.27 -0.69 0.00 0.00 174.62 174.05 1xe0 s ILE 74 N 3.80 2.23 -0.14 1.82 -4.36 0.04 -4.96 121.20 119.63 1xe0 s ILE 74 Ca 0.61 -2.32 -0.01 0.00 -0.26 0.00 0.00 60.65 58.68 1xe0 s ILE 74 Cb -0.25 -2.20 -0.01 0.00 1.25 0.00 0.00 42.46 41.24 1xe0 s ILE 74 CO 0.20 -0.45 -0.12 -0.54 0.24 0.00 0.00 174.94 174.27 1xe0 s LYS 75 N -3.50 3.39 -0.02 0.37 1.02 -1.26 -1.91 119.74 117.83 1xe0 s LYS 75 Ca 0.27 -0.68 0.06 0.00 0.02 0.00 0.00 55.97 55.64 1xe0 s LYS 75 Cb -0.04 -2.67 -0.01 0.00 -0.52 0.00 0.00 37.83 34.59 1xe0 s LYS 75 CO 0.12 0.18 -0.20 0.96 -0.92 0.00 0.00 175.35 175.48 1xe0 s ILE 76 N 0.45 1.62 -0.35 2.17 -4.36 0.03 -4.96 121.20 115.80 1xe0 s ILE 76 Ca -0.09 -0.87 -0.28 0.00 -0.26 0.00 0.00 60.65 59.15 1xe0 s ILE 76 Cb -0.16 -1.35 0.02 0.00 1.25 0.00 0.00 42.46 42.22 1xe0 s ILE 76 CO 0.05 0.46 1.03 0.00 0.24 0.00 0.00 174.94 176.71 1xe0 s ALA 77 N -0.38 3.44 0.04 2.27 0.00 -1.26 -1.05 121.76 124.82 1xe0 s ALA 77 Ca 0.05 -0.22 -0.15 0.00 0.00 0.00 0.00 51.96 51.64 1xe0 s ALA 77 Cb -0.09 -3.64 -0.35 0.00 0.00 0.00 0.00 23.12 19.05 1xe0 s ALA 77 CO -0.00 -1.58 1.02 -0.07 0.00 0.00 0.00 175.76 175.13 1xe0 h LEU 78 N 10.16 0.85 -7.00 0.00 3.38 -1.10 -3.49 115.31 118.12 1xe0 h LEU 78 Ca -0.22 -0.89 0.06 0.00 0.09 0.00 0.00 57.88 56.93 1xe0 h LEU 78 Cb 1.07 -0.28 -0.24 0.00 0.09 0.00 0.00 40.66 41.30 1xe0 h LEU 78 CO 1.02 1.69 0.49 0.00 0.09 0.00 0.00 178.44 181.74 1xe0 s ALA 79 N -2.67 -1.93 -0.18 1.53 0.00 -1.06 -5.01 121.76 112.44 1xe0 s ALA 79 Ca -0.09 1.66 0.01 0.00 0.00 0.00 0.00 51.96 53.54 1xe0 s ALA 79 Cb 0.04 -0.88 0.02 0.00 0.00 0.00 0.00 23.12 22.30 1xe0 s ALA 79 CO 0.95 -0.29 -0.20 -1.12 0.00 0.00 0.00 175.76 175.10 1xe0 s SER 80 N -0.72 3.19 0.13 0.00 0.01 -1.26 -1.17 113.70 113.88 1xe0 s SER 80 Ca -0.01 -0.63 0.06 0.00 1.31 0.00 0.00 55.95 56.68 1xe0 s SER 80 Cb -0.02 -1.49 -0.04 0.00 0.21 0.00 0.00 66.02 64.69 1xe0 s SER 80 CO -0.00 0.01 -0.13 -0.76 0.41 0.00 0.00 173.24 172.77 1xe0 s LEU 81 N 1.22 2.44 -0.16 2.44 1.43 0.20 -4.94 118.68 121.31 1xe0 s LEU 81 Ca 0.03 -0.87 -0.12 0.00 -1.03 0.00 0.00 54.13 52.15 1xe0 s LEU 81 Cb -0.13 -0.51 0.05 0.00 0.03 0.00 0.00 46.19 45.63 1xe0 s LEU 81 CO -0.11 -0.19 0.41 -0.75 0.23 0.00 0.00 176.35 175.95 1xe0 s LYS 82 N -2.96 0.44 0.36 1.70 2.20 -0.74 0.51 119.74 121.24 1xe0 s LYS 82 Ca 0.11 0.68 0.03 0.00 -0.36 0.00 0.00 55.97 56.43 1xe0 s LYS 82 Cb -0.03 0.10 0.66 0.00 -1.51 0.00 0.00 37.83 37.06 1xe0 s LYS 82 CO 0.03 -0.11 2.01 -1.35 -0.36 0.00 0.00 175.35 175.57 1xe0 h PRO 83 N 6.31 0.80 -0.05 4.03 0.11 -1.82 0.21 132.00 141.59 1xe0 h PRO 83 Ca -0.32 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1xe0 h PRO 83 Cb 1.18 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1xe0 h PRO 83 CO 0.27 0.53 0.00 -1.13 -0.21 0.00 0.00 178.00 177.46 1xe0 n SER 84 N -4.45 1.54 0.00 -2.05 3.41 -1.26 -4.39 113.62 106.42 1xe0 n SER 84 Ca 0.07 -1.55 0.00 0.00 -0.26 0.00 0.00 58.87 57.13 1xe0 n SER 84 Cb 0.07 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 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 0.21 0.00 -3.05 -3.33 0.31 -0.81 -5.02 118.33 106.64 1xe0 n VAL 85 Ca 0.18 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.50 1xe0 n VAL 85 Cb 0.35 -1.05 -0.01 0.00 -0.91 0.00 0.00 33.84 32.23 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 -1.94 0.91 0.44 5.55 0.74 0.68 -4.97 119.66 121.08 1xe0 s GLN 86 Ca 0.00 -0.59 0.28 0.00 0.05 0.00 0.00 55.36 55.10 1xe0 s GLN 86 Cb 0.00 0.01 0.90 0.00 1.10 0.00 0.00 33.01 35.02 1xe0 s GLN 86 CO 0.00 -1.24 1.80 -1.00 -0.55 0.00 0.00 175.29 174.30 1xe0 h PRO 87 N 6.25 0.00 -4.54 1.67 0.13 -1.73 -1.96 132.00 131.83 1xe0 h PRO 87 Ca 0.06 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.90 1xe0 h PRO 87 Cb 1.15 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.05 1xe0 h PRO 87 CO 0.07 0.00 -0.74 0.99 -0.23 0.00 0.00 178.00 178.09 1xe0 s THR 88 N -3.41 0.53 -0.01 1.56 2.01 -1.26 -0.84 115.64 114.22 1xe0 s THR 88 Ca 0.05 -0.91 0.03 0.00 0.31 0.00 0.00 61.69 61.17 1xe0 s THR 88 Cb 0.08 -0.57 -0.00 0.00 0.01 0.00 0.00 72.50 72.02 1xe0 s THR 88 CO 0.58 -0.27 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.46 1xe0 s VAL 89 N -1.11 0.72 -0.25 3.82 1.01 -0.09 -5.00 120.40 119.50 1xe0 s VAL 89 Ca -0.07 -0.36 -0.08 0.00 0.00 0.00 0.00 61.98 61.46 1xe0 s VAL 89 Cb -0.08 -0.63 -0.04 0.00 0.00 0.00 0.00 36.38 35.64 1xe0 s VAL 89 CO 0.00 0.22 0.10 -0.55 0.00 0.00 0.00 175.10 174.87 1xe0 s SER 90 N -0.03 5.40 0.26 3.32 0.15 -1.26 -1.20 113.70 120.35 1xe0 s SER 90 Ca 0.01 -0.13 0.21 0.00 0.70 0.00 0.00 55.95 56.73 1xe0 s SER 90 Cb -0.06 -1.98 0.09 0.00 -1.71 0.00 0.00 66.02 62.36 1xe0 s SER 90 CO -0.00 -0.03 1.22 -0.07 1.20 0.00 0.00 173.24 175.56 1xe0 h LEU 91 N 8.17 0.00 0.14 3.45 3.38 -1.38 -3.49 115.31 125.59 1xe0 h LEU 91 Ca -0.37 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.53 1xe0 h LEU 91 Cb 1.18 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 1xe0 h LEU 91 CO 0.58 0.10 -0.06 0.61 0.09 0.00 0.00 178.44 179.77 1xe0 n GLY 92 N 1.18 0.62 0.01 0.83 0.00 -1.21 -4.18 105.19 102.44 1xe0 n GLY 92 Ca 0.00 -0.84 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 -2.56 0.67 3.56 -0.02 0.00 -0.56 -5.01 105.19 101.26 1xe0 n GLY 93 Ca -0.03 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.43 2.62 0.05 1.61 5.99 -0.53 -4.75 117.98 121.54 1xe0 s PHE 94 Ca 0.00 0.23 -0.28 0.00 0.00 0.00 0.00 56.93 56.88 1xe0 s PHE 94 Cb 0.00 -4.41 -0.05 0.00 0.00 0.00 0.00 43.02 38.56 1xe0 s PHE 94 CO 0.00 -1.58 0.91 -1.21 -0.00 0.00 0.00 175.22 173.33 1xe0 s GLU 95 N 4.77 4.60 -0.01 10.12 2.02 -1.26 -0.74 118.70 138.19 1xe0 s GLU 95 Ca 0.38 1.32 0.02 0.00 0.02 0.00 0.00 54.97 56.72 1xe0 s GLU 95 Cb -0.09 -3.40 -0.00 0.00 0.10 0.00 0.00 34.13 30.74 1xe0 s GLU 95 CO 0.22 0.14 -0.07 0.42 0.02 0.00 0.00 175.26 176.00 1xe0 s ILE 96 N 0.33 0.57 -0.05 -1.63 1.01 0.96 -4.98 121.20 117.39 1xe0 s ILE 96 Ca 0.46 -0.29 -0.25 0.00 0.00 0.00 0.00 60.65 60.57 1xe0 s ILE 96 Cb -0.22 -0.49 -0.03 0.00 0.01 0.00 0.00 42.46 41.73 1xe0 s ILE 96 CO 0.27 0.17 0.78 -0.89 0.00 0.00 0.00 174.94 175.27 1xe0 s THR 97 N -0.04 4.99 0.75 2.92 2.01 -1.26 -1.00 115.64 124.01 1xe0 s THR 97 Ca 0.01 1.62 -0.12 0.00 0.31 0.00 0.00 61.69 63.52 1xe0 s THR 97 Cb -0.04 -4.12 0.05 0.00 0.01 0.00 0.00 72.50 68.39 1xe0 s THR 97 CO -0.00 0.22 1.10 -2.84 -0.69 0.00 0.00 174.62 172.40 1xe0 s PRO 98 N 0.92 2.31 0.57 4.92 0.02 -1.26 -4.50 135.00 137.98 1xe0 s PRO 98 Ca 0.42 1.25 -0.11 0.00 0.02 0.00 0.00 61.00 62.58 1xe0 s PRO 98 Cb -0.19 -1.90 -0.05 0.00 0.02 0.00 0.00 34.50 32.39 1xe0 s PRO 98 CO 0.21 -1.61 0.96 -1.25 -0.33 0.00 0.00 177.00 174.98 1xe0 s PRO 99 N -4.68 3.64 -0.13 5.54 0.04 -1.26 -5.03 135.00 133.12 1xe0 s PRO 99 Ca 0.63 0.66 -0.12 0.00 0.04 0.00 0.00 61.00 62.21 1xe0 s PRO 99 Cb -0.18 -2.16 0.04 0.00 0.04 0.00 0.00 34.50 32.23 1xe0 s PRO 99 CO 0.53 -0.43 0.35 0.54 0.04 0.00 0.00 177.00 178.02 1xe0 s VAL 100 N -2.98 -0.00 -0.17 -0.36 0.11 -0.57 -4.65 120.40 111.77 1xe0 s VAL 100 Ca 0.54 0.01 -0.12 0.00 -2.93 0.00 0.00 61.98 59.48 1xe0 s VAL 100 Cb -0.11 -0.49 -0.05 0.00 -1.53 0.00 0.00 36.38 34.20 1xe0 s VAL 100 CO 0.48 0.00 0.23 -0.63 -3.33 0.00 0.00 175.10 171.85 1xe0 s ILE 101 N 0.27 5.35 -0.16 7.04 1.01 -0.54 -1.02 121.20 133.15 1xe0 s ILE 101 Ca -0.01 0.40 -0.10 0.00 0.00 0.00 0.00 60.65 60.95 1xe0 s ILE 101 Cb -0.03 -3.56 -0.05 0.00 0.01 0.00 0.00 42.46 38.83 1xe0 s ILE 101 CO -0.00 0.42 0.17 -0.76 0.00 0.00 0.00 174.94 174.76 1xe0 s LEU 102 N 0.37 4.30 0.01 2.97 1.43 0.22 -0.33 118.68 127.64 1xe0 s LEU 102 Ca 0.13 0.39 0.00 0.00 -1.03 0.00 0.00 54.13 53.62 1xe0 s LEU 102 Cb -0.12 -2.14 -0.01 0.00 0.03 0.00 0.00 46.19 43.95 1xe0 s LEU 102 CO 0.02 0.27 -0.01 -0.60 0.23 0.00 0.00 176.35 176.25 1xe0 s ARG 103 N -0.23 0.13 -0.76 1.70 3.52 0.34 -1.05 118.95 122.60 1xe0 s ARG 103 Ca 0.12 -0.18 -0.22 0.00 -0.13 0.00 0.00 55.73 55.32 1xe0 s ARG 103 Cb -0.12 -0.03 0.08 0.00 -1.56 0.00 0.00 34.95 33.32 1xe0 s ARG 103 CO 0.02 0.00 1.08 -1.17 -0.81 0.00 0.00 175.30 174.42 1xe0 s LEU 104 N -0.38 4.30 0.15 -0.88 2.96 0.11 -0.81 118.68 124.13 1xe0 s LEU 104 Ca -0.04 -1.19 -0.11 0.00 -0.22 0.00 0.00 54.13 52.58 1xe0 s LEU 104 Cb -0.03 -2.45 -0.01 0.00 0.50 0.00 0.00 46.19 44.20 1xe0 s LEU 104 CO -0.00 -1.42 1.52 0.50 -1.32 0.00 0.00 176.35 175.63 1xe0 h LYS 105 N 9.49 0.98 -3.34 1.98 3.64 -1.24 -3.47 116.57 124.61 1xe0 h LYS 105 Ca -0.15 -0.45 -0.08 0.00 -1.27 0.00 0.00 60.65 58.70 1xe0 h LYS 105 Cb 1.05 -0.01 -0.16 0.00 -0.41 0.00 0.00 32.23 32.70 1xe0 h LYS 105 CO 1.20 1.12 -0.20 -1.54 -2.27 0.00 0.00 179.45 177.76 1xe0 s SER 106 N -6.76 -0.14 0.00 4.20 1.04 -1.19 -4.96 113.70 105.89 1xe0 s SER 106 Ca -0.11 -0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.08 1xe0 s SER 106 Cb 0.12 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.63 1xe0 s SER 106 CO 0.88 -0.69 0.00 0.61 0.98 0.00 0.00 173.24 175.02 1xe0 n GLY 107 N 0.32 2.32 0.25 7.32 0.00 -1.24 -1.01 105.19 113.16 1xe0 n GLY 107 Ca -0.18 -1.81 -0.06 0.00 0.00 0.00 0.00 46.02 43.98 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 0.64 -2.28 1.61 4.64 -1.90 -3.40 113.55 112.87 1xe0 h SER 108 Ca 0.00 -0.22 0.12 0.00 -0.47 0.00 0.00 61.79 61.22 1xe0 h SER 108 Cb 0.00 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 61.88 1xe0 h SER 108 CO 0.00 0.86 -0.17 0.61 -0.87 0.00 0.00 176.83 177.27 1xe0 n GLY 109 N -0.31 -1.46 3.77 -0.77 0.00 -1.26 -1.00 105.19 104.15 1xe0 n GLY 109 Ca -0.00 -1.13 -0.37 0.00 0.00 0.00 0.00 46.02 44.52 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 -0.77 3.70 0.07 1.61 0.04 -1.26 -3.91 135.00 134.47 1xe0 s PRO 110 Ca 0.00 1.84 0.08 0.00 0.04 0.00 0.00 61.00 62.96 1xe0 s PRO 110 Cb 0.00 -2.41 -0.03 0.00 0.04 0.00 0.00 34.50 32.11 1xe0 s PRO 110 CO 0.00 -0.62 -0.22 0.08 0.04 0.00 0.00 177.00 176.28 1xe0 s VAL 111 N -1.51 1.82 -0.02 -0.36 1.01 0.13 -0.95 120.40 120.52 1xe0 s VAL 111 Ca 0.64 -1.37 0.08 0.00 0.00 0.00 0.00 61.98 61.33 1xe0 s VAL 111 Cb -0.30 -1.60 -0.02 0.00 0.00 0.00 0.00 36.38 34.46 1xe0 s VAL 111 CO 0.37 0.16 -0.26 -0.31 0.00 0.00 0.00 175.10 175.06 1xe0 s TYR 112 N -0.91 2.31 -0.11 5.22 1.51 0.05 -0.55 117.35 124.88 1xe0 s TYR 112 Ca 0.09 -0.44 0.00 0.00 -1.01 0.00 0.00 57.07 55.71 1xe0 s TYR 112 Cb -0.09 -1.48 -0.02 0.00 -0.11 0.00 0.00 41.96 40.25 1xe0 s TYR 112 CO 0.03 -0.03 -0.12 0.08 -1.11 0.00 0.00 175.55 174.40 1xe0 s VAL 113 N -0.61 3.21 0.20 0.71 1.01 -0.33 -1.15 120.40 123.44 1xe0 s VAL 113 Ca 0.10 -0.62 0.10 0.00 0.00 0.00 0.00 61.98 61.55 1xe0 s VAL 113 Cb -0.10 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.90 1xe0 s VAL 113 CO -0.01 0.54 -0.19 -0.94 0.00 0.00 0.00 175.10 174.51 1xe0 s SER 114 N -0.00 2.97 0.00 3.32 1.04 0.08 -1.34 113.70 119.77 1xe0 s SER 114 Ca -0.03 -0.93 0.00 0.00 0.48 0.00 0.00 55.95 55.47 1xe0 s SER 114 Cb -0.14 -0.20 0.00 0.00 0.10 0.00 0.00 66.02 65.78 1xe0 s SER 114 CO 0.04 -0.02 0.00 0.61 0.98 0.00 0.00 173.24 174.84 1xe0 n GLY 115 N -0.05 -0.58 3.36 7.32 0.00 -0.20 -0.25 105.19 114.80 1xe0 n GLY 115 Ca -0.10 -0.65 -0.30 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.20 1.66 -0.35 1.61 -0.21 -0.26 -1.42 119.66 120.49 1xe0 s GLN 116 Ca 0.00 -1.19 -0.09 0.00 0.02 0.00 0.00 55.36 54.10 1xe0 s GLN 116 Cb 0.00 -1.94 0.03 0.00 1.00 0.00 0.00 33.01 32.10 1xe0 s GLN 116 CO 0.00 0.49 0.16 -1.58 -2.12 0.00 0.00 175.29 172.24 1xe0 s HIS 117 N -0.89 3.24 -0.15 0.91 5.65 0.77 -0.95 115.29 123.87 1xe0 s HIS 117 Ca 0.12 -1.11 -0.15 0.00 0.25 0.00 0.00 55.06 54.16 1xe0 s HIS 117 Cb -0.10 -2.36 -0.04 0.00 -1.18 0.00 0.00 32.58 28.89 1xe0 s HIS 117 CO 0.03 -0.66 0.36 -0.51 -0.65 0.00 0.00 174.74 173.31 1xe0 s LEU 118 N 1.50 4.25 -0.07 8.88 1.43 0.11 -1.02 118.68 133.76 1xe0 s LEU 118 Ca 0.01 0.62 0.00 0.00 -1.03 0.00 0.00 54.13 53.73 1xe0 s LEU 118 Cb -0.19 -2.49 0.02 0.00 0.03 0.00 0.00 46.19 43.56 1xe0 s LEU 118 CO 0.05 0.06 -0.05 -0.69 0.23 0.00 0.00 176.35 175.95 1xe0 s VAL 119 N 0.54 0.67 0.00 -1.59 1.01 0.06 -1.15 120.40 119.94 1xe0 s VAL 119 Ca 0.20 -0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.05 1xe0 s VAL 119 Cb -0.14 -0.71 0.00 0.00 0.00 0.00 0.00 36.38 35.53 1xe0 s VAL 119 CO 0.06 0.28 0.24 0.00 0.00 0.00 0.00 175.10 175.69