#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xe0 s SER 15 N 0.00 0.79 0.04 1.61 0.15 -1.26 -2.86 113.70 112.17 1xe0 s SER 15 Ca 0.00 -0.28 -0.01 0.00 0.70 0.00 0.00 55.95 56.36 1xe0 s SER 15 Cb 0.00 -0.04 -0.03 0.00 -1.71 0.00 0.00 66.02 64.24 1xe0 s SER 15 CO 0.00 -0.03 -0.02 -1.10 1.20 0.00 0.00 173.24 173.29 1xe0 s GLN 16 N -0.71 0.54 -0.14 5.44 -0.21 0.10 -5.00 119.66 119.69 1xe0 s GLN 16 Ca -0.02 -1.04 -0.04 0.00 0.02 0.00 0.00 55.36 54.28 1xe0 s GLN 16 Cb -0.05 0.19 0.06 0.00 1.00 0.00 0.00 33.01 34.21 1xe0 s GLN 16 CO 0.00 -0.10 0.16 1.21 -2.12 0.00 0.00 175.29 174.44 1xe0 s ASN 17 N -2.53 1.28 0.14 5.90 2.47 -1.26 -1.31 114.94 119.62 1xe0 s ASN 17 Ca 0.01 -0.04 0.10 0.00 0.42 0.00 0.00 52.86 53.35 1xe0 s ASN 17 Cb 0.03 0.19 -0.04 0.00 -1.45 0.00 0.00 41.25 39.98 1xe0 s ASN 17 CO -0.08 -0.29 -0.21 -0.36 -3.72 0.00 0.00 177.10 172.45 1xe0 s PHE 18 N 2.27 2.45 0.52 0.43 0.40 -0.30 -4.95 117.98 118.80 1xe0 s PHE 18 Ca 0.04 -0.30 -0.22 0.00 -0.60 0.00 0.00 56.93 55.85 1xe0 s PHE 18 Cb -0.14 -1.29 -0.06 0.00 0.51 0.00 0.00 43.02 42.05 1xe0 s PHE 18 CO -0.08 0.40 1.26 -0.51 0.70 0.00 0.00 175.22 176.98 1xe0 s LEU 19 N -2.25 3.88 -0.00 -0.37 1.43 -1.26 -0.77 118.68 119.33 1xe0 s LEU 19 Ca 0.18 2.52 0.00 0.00 -1.03 0.00 0.00 54.13 55.80 1xe0 s LEU 19 Cb -0.10 -4.32 0.00 0.00 0.03 0.00 0.00 46.19 41.80 1xe0 s LEU 19 CO 0.09 -1.33 -0.01 0.12 0.23 0.00 0.00 176.35 175.46 1xe0 s PHE 20 N -1.45 0.09 0.07 0.29 5.36 -0.32 -4.61 117.98 117.41 1xe0 s PHE 20 Ca 0.70 -0.00 -0.22 0.00 -0.96 0.00 0.00 56.93 56.44 1xe0 s PHE 20 Cb -0.34 -0.08 0.05 0.00 -0.34 0.00 0.00 43.02 42.31 1xe0 s PHE 20 CO 0.40 -0.01 0.53 0.20 -1.46 0.00 0.00 175.22 174.88 1xe0 s GLY 21 N 0.09 -0.45 0.12 13.12 0.00 -1.26 -0.91 107.32 118.02 1xe0 s GLY 21 Ca -0.01 0.56 -0.13 0.00 0.00 0.00 0.00 44.72 45.14 1xe0 s GLY 21 CO -0.00 0.25 0.32 0.00 0.00 0.00 0.00 173.10 173.67 1xe0 s GLU 23 N -3.83 2.71 -0.10 0.00 2.12 -1.26 -1.09 118.70 117.25 1xe0 s GLU 23 Ca 0.04 -0.82 0.04 0.00 0.36 0.00 0.00 54.97 54.59 1xe0 s GLU 23 Cb 0.03 -2.30 0.00 0.00 0.26 0.00 0.00 34.13 32.12 1xe0 s GLU 23 CO -0.11 0.39 -0.23 -0.51 -0.54 0.00 0.00 175.26 174.27 1xe0 s LEU 24 N -0.17 2.04 0.00 2.70 1.43 -0.23 -4.90 118.68 119.55 1xe0 s LEU 24 Ca -0.02 -0.53 -0.09 0.00 -1.03 0.00 0.00 54.13 52.46 1xe0 s LEU 24 Cb -0.14 -1.34 0.04 0.00 0.03 0.00 0.00 46.19 44.77 1xe0 s LEU 24 CO 0.04 0.15 0.57 2.29 0.23 0.00 0.00 176.35 179.63 1xe0 n LYS 25 N 3.56 0.83 -0.22 1.70 2.85 0.15 -0.91 118.16 126.11 1xe0 n LYS 25 Ca -0.19 -1.99 0.02 0.00 -1.05 0.00 0.00 58.31 55.10 1xe0 n LYS 25 Cb 0.53 2.27 0.26 0.00 -0.65 0.00 0.00 35.03 37.45 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 1.98 1.51 -0.16 0.58 0.00 -1.91 0.15 119.26 121.41 1xe0 h ALA 26 Ca -0.26 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1xe0 h ALA 26 Cb 1.01 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1xe0 h ALA 26 CO 0.34 0.42 0.00 -0.40 0.00 0.00 0.00 179.25 179.61 1xe0 n ASP 27 N -4.44 2.00 -2.91 0.00 5.68 -1.26 -4.56 116.55 111.06 1xe0 n ASP 27 Ca 0.09 -1.73 -0.07 0.00 -0.50 0.00 0.00 54.79 52.58 1xe0 n ASP 27 Cb 0.09 -0.10 -0.01 0.00 -1.14 0.00 0.00 41.12 39.96 1xe0 n ASP 27 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 1xe0 s LYS 28 N -1.80 1.02 0.25 0.11 2.20 -0.01 -5.01 119.74 116.50 1xe0 s LYS 28 Ca 0.34 -1.15 0.25 0.00 -0.36 0.00 0.00 55.97 55.05 1xe0 s LYS 28 Cb 0.19 -0.26 0.62 0.00 -1.51 0.00 0.00 37.83 36.87 1xe0 s LYS 28 CO 0.29 -1.32 1.66 0.87 -0.36 0.00 0.00 175.35 176.48 1xe0 h LYS 29 N 5.33 0.00 -6.62 4.03 1.57 -1.67 0.45 116.57 119.66 1xe0 h LYS 29 Ca 0.09 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 58.22 1xe0 h LYS 29 Cb 1.08 0.00 -0.24 0.00 0.08 0.00 0.00 32.23 33.16 1xe0 h LYS 29 CO 0.08 0.00 -0.86 -1.21 -0.57 0.00 0.00 179.45 176.89 1xe0 s GLU 30 N -3.14 1.45 -0.07 3.15 2.02 -1.26 -0.29 118.70 120.55 1xe0 s GLU 30 Ca 0.09 -1.20 0.02 0.00 0.02 0.00 0.00 54.97 53.90 1xe0 s GLU 30 Cb 0.11 -1.77 0.01 0.00 0.10 0.00 0.00 34.13 32.58 1xe0 s GLU 30 CO 0.64 0.43 -0.13 -0.47 0.02 0.00 0.00 175.26 175.75 1xe0 s TYR 31 N -0.98 1.51 -0.36 1.61 5.04 -0.48 -4.98 117.35 118.71 1xe0 s TYR 31 Ca 0.11 -0.56 -0.10 0.00 -2.44 0.00 0.00 57.07 54.08 1xe0 s TYR 31 Cb -0.10 -1.10 0.02 0.00 0.35 0.00 0.00 41.96 41.13 1xe0 s TYR 31 CO 0.04 -0.29 0.18 0.45 -1.34 0.00 0.00 175.55 174.60 1xe0 s SER 32 N 0.66 5.63 -0.38 4.32 0.15 -1.26 -1.21 113.70 121.62 1xe0 s SER 32 Ca -0.15 -0.94 -0.23 0.00 0.70 0.00 0.00 55.95 55.33 1xe0 s SER 32 Cb -0.16 -2.00 0.01 0.00 -1.71 0.00 0.00 66.02 62.17 1xe0 s SER 32 CO 0.04 -0.35 0.80 0.12 1.20 0.00 0.00 173.24 175.05 1xe0 s PHE 33 N 1.54 3.09 0.07 3.44 5.36 0.06 -5.00 117.98 126.55 1xe0 s PHE 33 Ca 0.02 0.53 0.00 0.00 -0.96 0.00 0.00 56.93 56.52 1xe0 s PHE 33 Cb -0.19 -3.46 -0.04 0.00 -0.34 0.00 0.00 43.02 38.99 1xe0 s PHE 33 CO 0.06 -0.78 -0.05 0.21 -1.46 0.00 0.00 175.22 173.21 1xe0 s LYS 34 N 3.16 0.71 -0.03 10.12 2.20 -1.26 -1.41 119.74 133.23 1xe0 s LYS 34 Ca 0.32 -1.26 0.04 0.00 -0.36 0.00 0.00 55.97 54.71 1xe0 s LYS 34 Cb -0.13 0.00 -0.00 0.00 -1.51 0.00 0.00 37.83 36.19 1xe0 s LYS 34 CO 0.18 -0.06 -0.14 0.54 -0.36 0.00 0.00 175.35 175.50 1xe0 s VAL 35 N -3.71 1.20 -0.73 4.02 0.11 -1.26 -5.08 120.40 114.95 1xe0 s VAL 35 Ca 0.09 -0.61 0.01 0.00 -2.93 0.00 0.00 61.98 58.54 1xe0 s VAL 35 Cb 0.06 -1.03 0.37 0.00 -1.53 0.00 0.00 36.38 34.25 1xe0 s VAL 35 CO -0.07 0.35 1.68 -0.62 -3.33 0.00 0.00 175.10 173.10 1xe0 n GLU 36 N 3.07 3.24 0.00 1.54 1.02 -1.26 -5.05 120.64 123.20 1xe0 n GLU 36 Ca -0.17 -4.00 0.00 0.00 -0.02 0.00 0.00 57.16 52.97 1xe0 n GLU 36 Cb 0.54 -2.28 0.00 0.00 -0.02 0.00 0.00 31.44 29.68 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 38 N -0.46 0.00 -3.57 1.62 9.92 -1.26 -5.11 116.55 117.68 1xe0 n ASP 38 Ca 0.48 0.00 -0.40 0.00 -0.53 0.00 0.00 54.79 54.34 1xe0 n ASP 38 Cb 0.37 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 40.83 1xe0 n ASP 38 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1xe0 n GLU 39 N 0.00 2.63 -3.95 -1.24 4.71 -1.26 -4.70 120.64 116.83 1xe0 n GLU 39 Ca 0.00 -2.24 -0.26 0.00 -0.01 0.00 0.00 57.16 54.65 1xe0 n GLU 39 Cb 0.00 -3.03 -0.02 0.00 -1.01 0.00 0.00 31.44 27.38 1xe0 n GLU 39 CO 0.00 0.00 0.00 -0.80 0.09 0.00 0.00 177.13 176.42 1xe0 s ASN 40 N 3.43 4.60 -0.24 1.62 0.01 -1.26 -4.69 114.94 118.42 1xe0 s ASN 40 Ca 0.53 -1.22 -0.19 0.00 -0.71 0.00 0.00 52.86 51.27 1xe0 s ASN 40 Cb 0.14 0.25 -0.03 0.00 0.41 0.00 0.00 41.25 42.03 1xe0 s ASN 40 CO -0.03 -0.99 0.54 -0.70 -1.51 0.00 0.00 177.10 174.42 1xe0 s GLU 41 N -4.20 4.12 -0.03 -0.60 2.12 0.39 -4.91 118.70 115.58 1xe0 s GLU 41 Ca 0.34 0.41 0.06 0.00 0.36 0.00 0.00 54.97 56.13 1xe0 s GLU 41 Cb -0.01 -3.62 -0.02 0.00 0.26 0.00 0.00 34.13 30.73 1xe0 s GLU 41 CO 0.20 -0.30 -0.20 -1.01 -0.54 0.00 0.00 175.26 173.41 1xe0 s HIS 42 N 2.14 2.52 0.03 5.30 3.76 -1.26 -1.41 115.29 126.37 1xe0 s HIS 42 Ca 0.23 -0.29 0.04 0.00 -0.15 0.00 0.00 55.06 54.89 1xe0 s HIS 42 Cb -0.16 -1.57 -0.02 0.00 1.11 0.00 0.00 32.58 31.95 1xe0 s HIS 42 CO 0.09 0.08 -0.11 -0.65 -0.85 0.00 0.00 174.74 173.30 1xe0 s GLN 43 N -0.68 0.76 -0.28 1.40 -1.52 -0.05 -4.46 119.66 114.83 1xe0 s GLN 43 Ca 0.11 -0.64 -0.15 0.00 -1.95 0.00 0.00 55.36 52.73 1xe0 s GLN 43 Cb -0.10 -0.71 -0.03 0.00 -0.22 0.00 0.00 33.01 31.94 1xe0 s GLN 43 CO -0.00 0.17 0.36 -1.17 -0.25 0.00 0.00 175.29 174.40 1xe0 s LEU 44 N -1.01 4.11 -0.31 2.90 2.96 -0.65 -0.57 118.68 126.11 1xe0 s LEU 44 Ca -0.01 0.16 -0.08 0.00 -0.22 0.00 0.00 54.13 53.98 1xe0 s LEU 44 Cb -0.07 -2.38 0.00 0.00 0.50 0.00 0.00 46.19 44.24 1xe0 s LEU 44 CO 0.01 -0.20 0.12 -0.55 -1.32 0.00 0.00 176.35 174.40 1xe0 s SER 45 N 1.67 5.36 -0.00 3.68 0.15 0.12 0.01 113.70 124.69 1xe0 s SER 45 Ca 0.14 -0.65 -0.22 0.00 0.70 0.00 0.00 55.95 55.91 1xe0 s SER 45 Cb -0.16 -1.94 -0.05 0.00 -1.71 0.00 0.00 66.02 62.16 1xe0 s SER 45 CO 0.10 -0.21 0.66 -0.76 1.20 0.00 0.00 173.24 174.23 1xe0 s LEU 46 N 1.55 4.41 -0.11 3.45 1.43 -0.08 -0.83 118.68 128.50 1xe0 s LEU 46 Ca 0.03 1.24 -0.09 0.00 -1.03 0.00 0.00 54.13 54.28 1xe0 s LEU 46 Cb -0.17 -3.03 -0.05 0.00 0.03 0.00 0.00 46.19 42.96 1xe0 s LEU 46 CO 0.04 0.04 -0.20 0.54 0.23 0.00 0.00 176.35 177.01 1xe0 n ARG 47 N 2.94 0.32 -4.12 1.70 5.12 0.35 -1.06 116.66 121.91 1xe0 n ARG 47 Ca -0.05 0.13 -0.13 0.00 -1.93 0.00 0.00 57.85 55.88 1xe0 n ARG 47 Cb 0.51 -1.04 -0.11 0.00 -1.16 0.00 0.00 32.46 30.66 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 -2.38 0.68 -0.07 0.55 -4.23 -0.95 -0.34 115.64 108.91 1xe0 s THR 48 Ca -0.19 -1.44 0.04 0.00 -1.18 0.00 0.00 61.69 58.92 1xe0 s THR 48 Cb 0.06 -1.08 -0.00 0.00 1.34 0.00 0.00 72.50 72.82 1xe0 s THR 48 CO 0.26 -0.55 -0.20 -0.69 -0.54 0.00 0.00 174.62 172.90 1xe0 s VAL 49 N -2.22 1.68 0.01 2.29 1.01 -0.53 -0.27 120.40 122.36 1xe0 s VAL 49 Ca -0.00 -0.83 -0.10 0.00 0.00 0.00 0.00 61.98 61.05 1xe0 s VAL 49 Cb -0.04 -1.45 0.01 0.00 0.00 0.00 0.00 36.38 34.89 1xe0 s VAL 49 CO -0.01 0.48 0.19 -0.94 0.00 0.00 0.00 175.10 174.81 1xe0 s SER 50 N 0.18 -0.02 -0.08 3.32 1.04 -0.59 -0.84 113.70 116.71 1xe0 s SER 50 Ca -0.10 -0.18 -0.13 0.00 0.48 0.00 0.00 55.95 56.02 1xe0 s SER 50 Cb -0.14 0.25 -0.05 0.00 0.10 0.00 0.00 66.02 66.17 1xe0 s SER 50 CO 0.05 -0.43 0.33 -0.76 0.98 0.00 0.00 173.24 173.40 1xe0 s LEU 51 N -1.53 4.37 0.88 2.42 1.43 -0.33 0.26 118.68 126.19 1xe0 s LEU 51 Ca -0.12 0.72 -0.12 0.00 -1.03 0.00 0.00 54.13 53.58 1xe0 s LEU 51 Cb -0.06 -2.43 0.12 0.00 0.03 0.00 0.00 46.19 43.85 1xe0 s LEU 51 CO 0.01 0.25 1.10 -0.83 0.23 0.00 0.00 176.35 177.11 1xe0 s GLY 52 N -0.46 1.61 0.37 -3.19 0.00 -0.26 -4.93 107.32 100.46 1xe0 s GLY 52 Ca 0.20 -0.22 0.05 0.00 0.00 0.00 0.00 44.72 44.75 1xe0 s GLY 52 CO 0.08 0.28 2.00 0.00 0.00 0.00 0.00 173.10 175.46 1xe0 h ALA 53 N -1.44 1.66 -0.02 3.20 0.00 -1.97 -2.34 119.26 118.34 1xe0 h ALA 53 Ca -0.50 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1xe0 h ALA 53 Cb 1.29 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1xe0 h ALA 53 CO 0.58 0.27 0.00 -1.13 0.00 0.00 0.00 179.25 178.97 1xe0 n SER 54 N -4.46 1.66 -4.69 0.00 3.41 -1.26 -4.96 113.62 103.32 1xe0 n SER 54 Ca 0.07 -1.56 -0.43 0.00 -0.26 0.00 0.00 58.87 56.70 1xe0 n SER 54 Cb 0.13 -0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.07 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 0.30 1.15 -1.77 7.33 0.00 -0.88 -4.86 120.51 121.78 1xe0 n ALA 55 Ca 0.18 0.36 -0.39 0.00 0.00 0.00 0.00 53.44 53.59 1xe0 n ALA 55 Cb 0.38 -2.23 -0.00 0.00 0.00 0.00 0.00 19.45 17.59 1xe0 n ALA 55 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1xe0 s LYS 56 N -1.87 3.92 -1.27 0.00 2.47 -1.26 -4.89 119.74 116.83 1xe0 s LYS 56 Ca 0.56 2.10 -0.19 0.00 -1.56 0.00 0.00 55.97 56.88 1xe0 s LYS 56 Cb -0.58 -2.70 0.03 0.00 -1.46 0.00 0.00 37.83 33.12 1xe0 s LYS 56 CO 0.62 -0.51 1.79 -3.47 0.16 0.00 0.00 175.35 173.93 1xe0 n ASP 57 N 0.02 4.49 -3.96 1.43 2.03 -1.26 -4.68 116.55 114.62 1xe0 n ASP 57 Ca 0.04 -2.87 -0.10 0.00 0.52 0.00 0.00 54.79 52.39 1xe0 n ASP 57 Cb 0.44 -1.75 -0.07 0.00 -0.72 0.00 0.00 41.12 39.03 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 4.77 1.21 0.39 -0.67 -1.05 -1.26 -4.96 118.70 117.14 1xe0 s GLU 58 Ca 0.58 -1.17 -0.27 0.00 -0.15 0.00 0.00 54.97 53.95 1xe0 s GLU 58 Cb 0.03 0.39 -0.10 0.00 -0.44 0.00 0.00 34.13 34.01 1xe0 s GLU 58 CO 0.09 -0.45 1.44 -1.17 0.95 0.00 0.00 175.26 176.12 1xe0 s LEU 59 N -2.97 4.29 -0.10 1.83 2.96 -1.26 -4.44 118.68 118.99 1xe0 s LEU 59 Ca 0.18 2.95 0.04 0.00 -0.22 0.00 0.00 54.13 57.07 1xe0 s LEU 59 Cb 0.03 -3.73 -0.00 0.00 0.50 0.00 0.00 46.19 42.98 1xe0 s LEU 59 CO 0.01 -0.88 -0.23 -1.00 -1.32 0.00 0.00 176.35 172.93 1xe0 s HIS 60 N -1.15 2.56 -0.15 5.38 3.76 0.63 -3.77 115.29 122.56 1xe0 s HIS 60 Ca 0.54 -0.95 0.02 0.00 -0.15 0.00 0.00 55.06 54.52 1xe0 s HIS 60 Cb -0.44 -1.70 0.02 0.00 1.11 0.00 0.00 32.58 31.56 1xe0 s HIS 60 CO 0.59 -0.36 -0.19 0.08 -0.85 0.00 0.00 174.74 174.01 1xe0 s VAL 61 N 0.25 1.90 -0.11 -0.90 1.01 -0.43 -0.30 120.40 121.81 1xe0 s VAL 61 Ca -0.15 -0.87 -0.01 0.00 0.00 0.00 0.00 61.98 60.95 1xe0 s VAL 61 Cb -0.17 -1.71 -0.02 0.00 0.00 0.00 0.00 36.38 34.47 1xe0 s VAL 61 CO 0.08 0.52 -0.08 -0.69 0.00 0.00 0.00 175.10 174.93 1xe0 s VAL 62 N 1.08 3.57 0.14 2.92 1.01 -0.47 -0.94 120.40 127.70 1xe0 s VAL 62 Ca -0.02 -0.49 0.06 0.00 0.00 0.00 0.00 61.98 61.53 1xe0 s VAL 62 Cb -0.14 -2.51 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 1xe0 s VAL 62 CO -0.06 0.54 -0.14 -1.83 0.00 0.00 0.00 175.10 173.61 1xe0 s GLU 63 N -0.09 1.08 0.04 2.72 -1.05 -0.61 -0.41 118.70 120.37 1xe0 s GLU 63 Ca 0.00 -1.31 0.08 0.00 -0.15 0.00 0.00 54.97 53.60 1xe0 s GLU 63 Cb -0.13 -0.95 -0.03 0.00 -0.44 0.00 0.00 34.13 32.58 1xe0 s GLU 63 CO 0.03 0.18 -0.24 0.00 0.95 0.00 0.00 175.26 176.17 1xe0 s ALA 64 N -2.31 2.05 -0.11 -0.84 0.00 -0.49 -1.09 121.76 118.96 1xe0 s ALA 64 Ca 0.12 -1.17 0.00 0.00 0.00 0.00 0.00 51.96 50.91 1xe0 s ALA 64 Cb -0.04 -0.43 0.02 0.00 0.00 0.00 0.00 23.12 22.67 1xe0 s ALA 64 CO 0.04 0.48 -0.11 -2.00 0.00 0.00 0.00 175.76 174.17 1xe0 s GLU 65 N -1.13 1.84 0.00 0.00 2.12 0.40 -0.72 118.70 121.21 1xe0 s GLU 65 Ca 0.10 -0.40 0.00 0.00 0.36 0.00 0.00 54.97 55.03 1xe0 s GLU 65 Cb -0.09 -1.73 0.00 0.00 0.26 0.00 0.00 34.13 32.57 1xe0 s GLU 65 CO 0.02 -0.18 0.00 0.41 -0.54 0.00 0.00 175.26 174.96 1xe0 n GLY 66 N 4.62 0.96 3.76 -1.50 0.00 -0.55 -1.53 105.19 110.95 1xe0 n GLY 66 Ca -0.16 -0.84 -0.38 0.00 0.00 0.00 0.00 46.02 44.64 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 -2.31 5.03 0.75 -0.61 -1.09 -1.26 -1.11 121.20 120.60 1xe0 s ILE 67 Ca 0.00 1.04 -0.04 0.00 -2.23 0.00 0.00 60.65 59.42 1xe0 s ILE 67 Cb 0.00 -3.84 0.12 0.00 -1.58 0.00 0.00 42.46 37.17 1xe0 s ILE 67 CO 0.00 0.42 1.04 0.54 -1.23 0.00 0.00 174.94 175.71 1xe0 s ASN 68 N -0.11 4.26 0.49 3.58 2.20 -0.80 -4.95 114.94 119.61 1xe0 s ASN 68 Ca 0.27 -0.13 0.21 0.00 -0.94 0.00 0.00 52.86 52.28 1xe0 s ASN 68 Cb -0.17 -0.27 1.25 0.00 -2.00 0.00 0.00 41.25 40.07 1xe0 s ASN 68 CO 0.14 -1.93 1.98 0.22 -2.94 0.00 0.00 177.10 174.57 1xe0 h TYR 69 N -0.68 0.19 -0.43 1.54 5.03 -1.98 -1.35 116.97 119.29 1xe0 h TYR 69 Ca -0.39 0.01 0.00 0.00 2.58 0.00 0.00 58.73 60.92 1xe0 h TYR 69 Cb 1.27 -0.06 0.00 0.00 1.55 0.00 0.00 36.73 39.49 1xe0 h TYR 69 CO -0.25 0.08 0.00 0.39 -1.32 0.00 0.00 178.16 177.05 1xe0 n GLU 70 N -4.42 2.33 -0.98 1.82 -0.58 -1.26 -4.94 120.64 112.61 1xe0 n GLU 70 Ca 0.11 -2.03 0.00 0.00 -0.42 0.00 0.00 57.16 54.81 1xe0 n GLU 70 Cb 0.54 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.93 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 1.43 0.57 3.78 0.62 0.00 -0.51 -5.04 105.19 106.04 1xe0 n GLY 71 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.24 4.34 -0.06 1.61 1.02 -1.26 -4.78 119.74 120.38 1xe0 s LYS 72 Ca 0.00 0.86 -0.30 0.00 0.02 0.00 0.00 55.97 56.56 1xe0 s LYS 72 Cb 0.00 -3.29 -0.04 0.00 -0.52 0.00 0.00 37.83 33.99 1xe0 s LYS 72 CO 0.00 0.51 1.28 0.99 -0.92 0.00 0.00 175.35 177.21 1xe0 s THR 73 N -0.73 4.09 0.20 2.17 2.01 -1.26 -1.91 115.64 120.21 1xe0 s THR 73 Ca 0.32 1.41 0.09 0.00 0.31 0.00 0.00 61.69 63.82 1xe0 s THR 73 Cb -0.20 -3.91 -0.05 0.00 0.01 0.00 0.00 72.50 68.36 1xe0 s THR 73 CO 0.20 -0.03 -0.17 0.27 -0.69 0.00 0.00 174.62 174.21 1xe0 s ILE 74 N 2.53 1.92 -0.10 1.82 -4.36 -0.27 -4.94 121.20 117.79 1xe0 s ILE 74 Ca 0.58 -2.14 -0.00 0.00 -0.26 0.00 0.00 60.65 58.83 1xe0 s ILE 74 Cb -0.26 -2.02 -0.03 0.00 1.25 0.00 0.00 42.46 41.40 1xe0 s ILE 74 CO 0.22 -0.45 -0.08 -0.54 0.24 0.00 0.00 174.94 174.33 1xe0 s LYS 75 N -3.29 3.12 -0.02 0.37 1.02 -1.26 -1.48 119.74 118.20 1xe0 s LYS 75 Ca 0.21 -0.59 0.03 0.00 0.02 0.00 0.00 55.97 55.65 1xe0 s LYS 75 Cb -0.03 -2.66 -0.01 0.00 -0.52 0.00 0.00 37.83 34.61 1xe0 s LYS 75 CO 0.08 0.44 -0.11 0.96 -0.92 0.00 0.00 175.35 175.80 1xe0 s ILE 76 N -0.21 0.91 -0.18 2.17 -4.36 0.10 -4.96 121.20 114.66 1xe0 s ILE 76 Ca 0.02 -0.47 -0.27 0.00 -0.26 0.00 0.00 60.65 59.67 1xe0 s ILE 76 Cb -0.13 -0.77 -0.01 0.00 1.25 0.00 0.00 42.46 42.80 1xe0 s ILE 76 CO 0.03 0.26 0.91 0.00 0.24 0.00 0.00 174.94 176.38 1xe0 s ALA 77 N -0.13 3.55 -0.11 2.27 0.00 -1.26 -1.40 121.76 124.69 1xe0 s ALA 77 Ca 0.02 0.10 -0.07 0.00 0.00 0.00 0.00 51.96 52.01 1xe0 s ALA 77 Cb -0.06 -3.34 -0.27 0.00 0.00 0.00 0.00 23.12 19.45 1xe0 s ALA 77 CO -0.00 -0.77 0.42 -0.07 0.00 0.00 0.00 175.76 175.34 1xe0 h LEU 78 N 8.64 0.45 -7.04 0.00 3.38 -1.07 -3.48 115.31 116.18 1xe0 h LEU 78 Ca -0.26 -0.94 -0.06 0.00 0.09 0.00 0.00 57.88 56.70 1xe0 h LEU 78 Cb 1.11 -0.14 -0.19 0.00 0.09 0.00 0.00 40.66 41.53 1xe0 h LEU 78 CO 0.88 1.84 0.15 0.00 0.09 0.00 0.00 178.44 181.40 1xe0 s ALA 79 N -2.56 -1.68 -0.13 1.53 0.00 -0.95 -5.02 121.76 112.95 1xe0 s ALA 79 Ca -0.21 1.21 0.01 0.00 0.00 0.00 0.00 51.96 52.97 1xe0 s ALA 79 Cb 0.06 0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.23 1xe0 s ALA 79 CO 0.79 -0.37 -0.15 -1.12 0.00 0.00 0.00 175.76 174.90 1xe0 s SER 80 N -1.25 2.58 0.06 0.00 0.01 -1.25 -1.37 113.70 112.47 1xe0 s SER 80 Ca -0.11 -0.46 0.05 0.00 1.31 0.00 0.00 55.95 56.74 1xe0 s SER 80 Cb -0.00 -1.15 -0.03 0.00 0.21 0.00 0.00 66.02 65.05 1xe0 s SER 80 CO 0.09 -0.01 -0.15 -0.76 0.41 0.00 0.00 173.24 172.82 1xe0 s LEU 81 N 1.19 2.24 -0.03 2.44 1.43 0.59 -4.93 118.68 121.61 1xe0 s LEU 81 Ca -0.02 -0.57 -0.01 0.00 -1.03 0.00 0.00 54.13 52.51 1xe0 s LEU 81 Cb -0.14 -0.57 0.03 0.00 0.03 0.00 0.00 46.19 45.54 1xe0 s LEU 81 CO -0.05 -0.03 0.06 -0.75 0.23 0.00 0.00 176.35 175.80 1xe0 s LYS 82 N -1.55 0.01 0.46 1.70 2.20 -0.72 -0.27 119.74 121.58 1xe0 s LYS 82 Ca -0.00 0.20 0.12 0.00 -0.36 0.00 0.00 55.97 55.93 1xe0 s LYS 82 Cb -0.09 -0.17 1.07 0.00 -1.51 0.00 0.00 37.83 37.12 1xe0 s LYS 82 CO 0.02 -0.13 2.09 -1.35 -0.36 0.00 0.00 175.35 175.62 1xe0 h PRO 83 N 7.00 0.28 -0.38 4.03 0.11 -1.81 0.21 132.00 141.44 1xe0 h PRO 83 Ca -0.40 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1xe0 h PRO 83 Cb 1.15 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1xe0 h PRO 83 CO 0.47 0.18 0.00 -1.13 -0.21 0.00 0.00 178.00 177.31 1xe0 n SER 84 N -4.50 2.97 0.00 -2.05 3.41 -1.26 -4.33 113.62 107.86 1xe0 n SER 84 Ca 0.01 -1.93 0.00 0.00 -0.26 0.00 0.00 58.87 56.69 1xe0 n SER 84 Cb 0.11 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 63.81 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 1.16 0.00 -2.90 -3.33 0.31 -0.84 -5.02 118.33 107.70 1xe0 n VAL 85 Ca 0.19 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.44 1xe0 n VAL 85 Cb 0.52 -0.96 -0.01 0.00 -0.91 0.00 0.00 33.84 32.48 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 1.03 0.45 5.55 0.74 0.68 -4.97 119.66 121.18 1xe0 s GLN 86 Ca 0.00 -1.20 0.30 0.00 0.05 0.00 0.00 55.36 54.50 1xe0 s GLN 86 Cb 0.00 -0.29 1.10 0.00 1.10 0.00 0.00 33.01 34.93 1xe0 s GLN 86 CO 0.00 -1.33 1.86 -1.00 -0.55 0.00 0.00 175.29 174.27 1xe0 h PRO 87 N 5.24 0.00 -4.46 1.67 0.13 -1.71 -1.91 132.00 130.96 1xe0 h PRO 87 Ca 0.10 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.87 1xe0 h PRO 87 Cb 1.08 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 31.92 1xe0 h PRO 87 CO 0.08 0.00 -0.77 0.99 -0.23 0.00 0.00 178.00 178.07 1xe0 s THR 88 N -3.49 0.54 -0.09 1.56 2.01 -1.26 -1.18 115.64 113.73 1xe0 s THR 88 Ca 0.03 -0.28 0.03 0.00 0.31 0.00 0.00 61.69 61.78 1xe0 s THR 88 Cb 0.09 -0.46 0.00 0.00 0.01 0.00 0.00 72.50 72.14 1xe0 s THR 88 CO 0.53 0.16 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.73 1xe0 s VAL 89 N -0.10 1.76 -0.17 3.82 1.01 -0.02 -5.01 120.40 121.70 1xe0 s VAL 89 Ca 0.02 -0.85 -0.16 0.00 0.00 0.00 0.00 61.98 60.99 1xe0 s VAL 89 Cb -0.03 -1.54 -0.04 0.00 0.00 0.00 0.00 36.38 34.77 1xe0 s VAL 89 CO -0.00 0.49 0.41 -0.55 0.00 0.00 0.00 175.10 175.46 1xe0 s SER 90 N 0.43 6.53 0.00 3.32 0.15 -1.26 -1.45 113.70 121.42 1xe0 s SER 90 Ca -0.17 0.63 0.23 0.00 0.70 0.00 0.00 55.95 57.34 1xe0 s SER 90 Cb -0.17 -2.25 0.18 0.00 -1.71 0.00 0.00 66.02 62.07 1xe0 s SER 90 CO 0.07 -0.02 1.19 0.18 1.20 0.00 0.00 173.24 175.85 1xe0 n LEU 91 N 4.05 0.98 -0.52 3.45 4.77 0.54 -4.98 117.00 125.30 1xe0 n LEU 91 Ca -0.08 -0.34 -0.06 0.00 -0.03 0.00 0.00 56.01 55.50 1xe0 n LEU 91 Cb 0.51 -0.10 -0.02 0.00 -2.33 0.00 0.00 43.42 41.48 1xe0 n LEU 91 CO 0.41 0.22 -0.06 0.61 -1.33 0.00 0.00 177.39 177.24 1xe0 n GLY 92 N 1.47 0.68 0.96 -0.72 0.00 -1.23 -3.93 105.19 102.41 1xe0 n GLY 92 Ca 0.06 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.96 0.88 3.48 -0.02 0.00 -0.36 -5.01 105.19 102.21 1xe0 n GLY 93 Ca -0.06 -0.46 -0.43 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.63 2.74 0.06 1.61 5.99 -0.22 -4.73 117.98 120.81 1xe0 s PHE 94 Ca 0.00 -0.32 -0.30 0.00 0.00 0.00 0.00 56.93 56.31 1xe0 s PHE 94 Cb 0.00 -4.15 -0.05 0.00 0.00 0.00 0.00 43.02 38.82 1xe0 s PHE 94 CO 0.00 -1.49 0.98 -1.21 -0.00 0.00 0.00 175.22 173.50 1xe0 s GLU 95 N 3.95 4.63 -0.02 10.12 2.02 -1.26 -0.90 118.70 137.24 1xe0 s GLU 95 Ca 0.25 1.45 0.02 0.00 0.02 0.00 0.00 54.97 56.72 1xe0 s GLU 95 Cb -0.15 -3.41 0.00 0.00 0.10 0.00 0.00 34.13 30.67 1xe0 s GLU 95 CO 0.14 0.09 -0.09 0.42 0.02 0.00 0.00 175.26 175.84 1xe0 s ILE 96 N 0.44 0.76 0.04 -1.63 1.01 0.10 -4.96 121.20 116.96 1xe0 s ILE 96 Ca 0.49 -0.35 -0.22 0.00 0.00 0.00 0.00 60.65 60.57 1xe0 s ILE 96 Cb -0.23 -0.68 -0.06 0.00 0.01 0.00 0.00 42.46 41.51 1xe0 s ILE 96 CO 0.29 0.24 0.66 -0.89 0.00 0.00 0.00 174.94 175.24 1xe0 s THR 97 N 0.17 4.76 0.70 2.92 2.01 -1.26 -1.63 115.64 123.32 1xe0 s THR 97 Ca -0.03 1.41 -0.13 0.00 0.31 0.00 0.00 61.69 63.25 1xe0 s THR 97 Cb -0.08 -4.01 0.02 0.00 0.01 0.00 0.00 72.50 68.44 1xe0 s THR 97 CO 0.00 0.43 1.10 -2.16 -0.69 0.00 0.00 174.62 173.31 1xe0 s PRO 98 N -0.40 2.60 0.36 4.92 0.04 -1.26 -4.47 135.00 136.79 1xe0 s PRO 98 Ca 0.34 1.32 -0.21 0.00 0.04 0.00 0.00 61.00 62.48 1xe0 s PRO 98 Cb -0.20 -1.93 -0.10 0.00 0.04 0.00 0.00 34.50 32.31 1xe0 s PRO 98 CO 0.20 -1.39 0.88 -1.25 0.04 0.00 0.00 177.00 175.48 1xe0 s PRO 99 N -4.37 4.28 0.01 0.56 0.04 -1.26 -5.00 135.00 129.26 1xe0 s PRO 99 Ca 0.65 1.06 -0.00 0.00 0.04 0.00 0.00 61.00 62.74 1xe0 s PRO 99 Cb -0.19 -2.48 -0.01 0.00 0.04 0.00 0.00 34.50 31.86 1xe0 s PRO 99 CO 0.47 0.14 -0.01 0.54 0.04 0.00 0.00 177.00 178.18 1xe0 s VAL 100 N -1.91 0.06 -0.15 -0.36 0.11 -0.50 -4.58 120.40 113.07 1xe0 s VAL 100 Ca 0.55 -0.52 -0.05 0.00 -2.93 0.00 0.00 61.98 59.04 1xe0 s VAL 100 Cb -0.13 -0.16 -0.03 0.00 -1.53 0.00 0.00 36.38 34.53 1xe0 s VAL 100 CO 0.18 -0.28 0.01 -0.63 -3.33 0.00 0.00 175.10 171.04 1xe0 s ILE 101 N -0.83 4.33 -0.13 7.04 1.01 -0.58 -0.76 121.20 131.28 1xe0 s ILE 101 Ca -0.09 -0.21 -0.06 0.00 0.00 0.00 0.00 60.65 60.29 1xe0 s ILE 101 Cb -0.06 -2.90 -0.04 0.00 0.01 0.00 0.00 42.46 39.47 1xe0 s ILE 101 CO -0.00 0.51 0.09 -0.76 0.00 0.00 0.00 174.94 174.77 1xe0 s LEU 102 N 0.05 4.04 -0.00 2.97 1.43 -0.35 -0.45 118.68 126.37 1xe0 s LEU 102 Ca 0.03 0.29 0.00 0.00 -1.03 0.00 0.00 54.13 53.42 1xe0 s LEU 102 Cb -0.13 -1.98 0.00 0.00 0.03 0.00 0.00 46.19 44.12 1xe0 s LEU 102 CO 0.02 0.35 -0.00 -0.60 0.23 0.00 0.00 176.35 176.34 1xe0 s ARG 103 N -0.66 0.07 -0.65 1.70 3.52 -0.25 -1.38 118.95 121.30 1xe0 s ARG 103 Ca 0.12 0.00 -0.26 0.00 -0.13 0.00 0.00 55.73 55.46 1xe0 s ARG 103 Cb -0.12 -0.12 0.04 0.00 -1.56 0.00 0.00 34.95 33.19 1xe0 s ARG 103 CO 0.02 -0.01 1.16 -1.17 -0.81 0.00 0.00 175.30 174.49 1xe0 s LEU 104 N 0.18 3.57 -0.01 -0.88 2.96 0.60 -1.58 118.68 123.52 1xe0 s LEU 104 Ca -0.01 -0.34 -0.21 0.00 -0.22 0.00 0.00 54.13 53.34 1xe0 s LEU 104 Cb -0.03 -2.76 -0.22 0.00 0.50 0.00 0.00 46.19 43.67 1xe0 s LEU 104 CO -0.01 -1.58 1.10 0.50 -1.32 0.00 0.00 176.35 175.04 1xe0 h LYS 105 N 9.71 0.33 -3.39 1.98 3.64 -1.36 -3.48 116.57 123.99 1xe0 h LYS 105 Ca -0.27 -0.33 -0.05 0.00 -1.27 0.00 0.00 60.65 58.73 1xe0 h LYS 105 Cb 1.06 0.09 -0.13 0.00 -0.41 0.00 0.00 32.23 32.84 1xe0 h LYS 105 CO 1.21 1.01 -0.07 -1.54 -2.27 0.00 0.00 179.45 177.78 1xe0 s SER 106 N -6.54 -0.23 0.00 4.20 1.04 -1.17 -4.97 113.70 106.02 1xe0 s SER 106 Ca -0.14 -0.32 0.00 0.00 0.48 0.00 0.00 55.95 55.97 1xe0 s SER 106 Cb 0.03 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.62 1xe0 s SER 106 CO 0.79 -0.85 0.00 0.61 0.98 0.00 0.00 173.24 174.77 1xe0 n GLY 107 N -0.22 2.52 0.32 7.32 0.00 -1.25 -1.31 105.19 112.57 1xe0 n GLY 107 Ca -0.16 -1.72 0.07 0.00 0.00 0.00 0.00 46.02 44.20 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 0.40 -2.76 1.61 4.64 -1.88 -3.47 113.55 112.09 1xe0 h SER 108 Ca 0.00 -0.01 0.12 0.00 -0.47 0.00 0.00 61.79 61.43 1xe0 h SER 108 Cb 0.00 -0.09 -0.03 0.00 -0.31 0.00 0.00 62.40 61.97 1xe0 h SER 108 CO 0.00 0.28 -0.16 0.61 -0.87 0.00 0.00 176.83 176.69 1xe0 n GLY 109 N -1.49 -1.67 3.85 -0.77 0.00 -1.26 -3.56 105.19 100.28 1xe0 n GLY 109 Ca 0.04 -1.22 -0.32 0.00 0.00 0.00 0.00 46.02 44.53 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 -0.83 3.77 0.03 1.61 0.04 -1.26 -3.91 135.00 134.46 1xe0 s PRO 110 Ca 0.00 0.88 0.06 0.00 0.04 0.00 0.00 61.00 61.97 1xe0 s PRO 110 Cb 0.00 -2.11 -0.02 0.00 0.04 0.00 0.00 34.50 32.41 1xe0 s PRO 110 CO 0.00 -0.42 -0.16 0.08 0.04 0.00 0.00 177.00 176.54 1xe0 s VAL 111 N -2.86 1.31 0.08 -0.36 1.01 -0.09 -1.10 120.40 118.40 1xe0 s VAL 111 Ca 0.57 -1.02 0.10 0.00 0.00 0.00 0.00 61.98 61.63 1xe0 s VAL 111 Cb -0.11 -1.16 -0.03 0.00 0.00 0.00 0.00 36.38 35.08 1xe0 s VAL 111 CO 0.41 0.12 -0.26 -0.31 0.00 0.00 0.00 175.10 175.05 1xe0 s TYR 112 N -0.77 2.29 -0.03 5.22 1.51 0.14 -1.07 117.35 124.64 1xe0 s TYR 112 Ca 0.04 -0.40 0.06 0.00 -1.01 0.00 0.00 57.07 55.77 1xe0 s TYR 112 Cb -0.08 -1.31 -0.01 0.00 -0.11 0.00 0.00 41.96 40.44 1xe0 s TYR 112 CO 0.01 0.21 -0.23 0.08 -1.11 0.00 0.00 175.55 174.52 1xe0 s VAL 113 N -0.92 1.83 0.18 0.71 1.01 -0.25 -1.54 120.40 121.43 1xe0 s VAL 113 Ca 0.12 -0.97 0.09 0.00 0.00 0.00 0.00 61.98 61.22 1xe0 s VAL 113 Cb -0.10 -1.54 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 1xe0 s VAL 113 CO 0.04 0.52 -0.11 -0.94 0.00 0.00 0.00 175.10 174.60 1xe0 s SER 114 N -0.37 4.15 0.00 3.32 1.04 0.62 -1.57 113.70 120.89 1xe0 s SER 114 Ca 0.04 -0.61 0.00 0.00 0.48 0.00 0.00 55.95 55.86 1xe0 s SER 114 Cb -0.11 -0.66 0.00 0.00 0.10 0.00 0.00 66.02 65.35 1xe0 s SER 114 CO 0.01 0.11 0.00 0.61 0.98 0.00 0.00 173.24 174.94 1xe0 n GLY 115 N 0.08 -0.69 3.16 7.32 0.00 -0.09 -0.49 105.19 114.48 1xe0 n GLY 115 Ca -0.11 -0.46 -0.21 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.39 1.01 -0.34 1.61 -0.21 -0.01 -1.17 119.66 120.15 1xe0 s GLN 116 Ca 0.00 -0.79 -0.09 0.00 0.02 0.00 0.00 55.36 54.50 1xe0 s GLN 116 Cb 0.00 -1.04 0.02 0.00 1.00 0.00 0.00 33.01 32.99 1xe0 s GLN 116 CO 0.00 0.26 0.15 -1.58 -2.12 0.00 0.00 175.29 172.00 1xe0 s HIS 117 N -0.85 3.22 0.00 0.91 5.65 0.05 -0.70 115.29 123.57 1xe0 s HIS 117 Ca 0.03 -1.03 -0.00 0.00 0.25 0.00 0.00 55.06 54.31 1xe0 s HIS 117 Cb -0.08 -2.35 -0.04 0.00 -1.18 0.00 0.00 32.58 28.93 1xe0 s HIS 117 CO 0.01 -0.63 0.08 -0.51 -0.65 0.00 0.00 174.74 173.05 1xe0 s LEU 118 N 1.51 3.91 -0.03 8.88 1.43 0.26 -1.15 118.68 133.49 1xe0 s LEU 118 Ca 0.02 0.14 0.02 0.00 -1.03 0.00 0.00 54.13 53.27 1xe0 s LEU 118 Cb -0.19 -2.30 0.01 0.00 0.03 0.00 0.00 46.19 43.75 1xe0 s LEU 118 CO 0.05 0.27 -0.05 -0.69 0.23 0.00 0.00 176.35 176.15 1xe0 s VAL 119 N -1.21 0.52 0.05 -1.59 1.01 -0.43 -0.87 120.40 117.89 1xe0 s VAL 119 Ca 0.23 -0.19 0.01 0.00 0.00 0.00 0.00 61.98 62.03 1xe0 s VAL 119 Cb -0.12 -0.50 -0.03 0.00 0.00 0.00 0.00 36.38 35.72 1xe0 s VAL 119 CO 0.15 0.19 -0.05 0.00 0.00 0.00 0.00 175.10 175.39 1xe0 s ALA 120 N 0.45 0.55 0.36 5.51 0.00 -0.50 -0.72 121.76 127.41 1xe0 s ALA 120 Ca -0.06 -1.01 -0.28 0.00 0.00 0.00 0.00 51.96 50.62 1xe0 s ALA 120 Cb -0.09 0.17 -0.10 0.00 0.00 0.00 0.00 23.12 23.09 1xe0 s ALA 120 CO 0.00 -0.22 1.34 -0.51 0.00 0.00 0.00 175.76 176.37 1xe0 s LEU 121 N -2.34 4.34 0.00 0.00 1.43 -1.14 -0.47 118.68 120.51 1xe0 s LEU 121 Ca -0.01 2.75 0.17 0.00 -1.03 0.00 0.00 54.13 56.02 1xe0 s LEU 121 Cb -0.01 -3.73 1.04 0.00 0.03 0.00 0.00 46.19 43.52 1xe0 s LEU 121 CO -0.04 -0.70 1.44 -1.84 0.23 0.00 0.00 176.35 175.44