#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xe0 n GLY 14 N 0.00 2.17 0.00 0.00 0.00 -1.26 -5.02 105.19 101.08 1xe0 n GLY 14 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.41 1xe0 n GLY 14 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xe0 n SER 15 N 0.00 -0.79 -4.87 1.61 3.41 -1.26 -5.10 113.62 106.61 1xe0 n SER 15 Ca 0.00 -0.21 -0.29 0.00 -0.26 0.00 0.00 58.87 58.11 1xe0 n SER 15 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 1xe0 n SER 15 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1xe0 s GLN 16 N -1.81 3.22 -0.06 4.33 -0.21 0.47 -4.89 119.66 120.71 1xe0 s GLN 16 Ca 0.00 -0.61 0.01 0.00 0.02 0.00 0.00 55.36 54.78 1xe0 s GLN 16 Cb 0.00 -2.88 0.02 0.00 1.00 0.00 0.00 33.01 31.15 1xe0 s GLN 16 CO 0.00 0.55 -0.05 0.54 -2.12 0.00 0.00 175.29 174.21 1xe0 s ASN 17 N -2.78 1.25 0.24 5.90 6.03 -1.26 -1.39 114.94 122.93 1xe0 s ASN 17 Ca 0.33 -0.16 0.11 0.00 -1.03 0.00 0.00 52.86 52.10 1xe0 s ASN 17 Cb -0.12 -0.54 -0.05 0.00 -3.03 0.00 0.00 41.25 37.52 1xe0 s ASN 17 CO 0.26 -0.06 -0.20 -0.36 -2.03 0.00 0.00 177.10 174.71 1xe0 s PHE 18 N 1.05 2.16 0.40 1.54 0.40 -0.27 -4.94 117.98 118.32 1xe0 s PHE 18 Ca -0.09 -0.39 -0.24 0.00 -0.60 0.00 0.00 56.93 55.61 1xe0 s PHE 18 Cb -0.14 -0.98 -0.09 0.00 0.51 0.00 0.00 43.02 42.32 1xe0 s PHE 18 CO -0.01 0.58 1.09 -0.51 0.70 0.00 0.00 175.22 177.07 1xe0 s LEU 19 N -3.23 4.16 -0.01 -0.37 1.43 -1.26 -0.18 118.68 119.21 1xe0 s LEU 19 Ca 0.26 2.13 0.03 0.00 -1.03 0.00 0.00 54.13 55.52 1xe0 s LEU 19 Cb -0.05 -4.13 -0.01 0.00 0.03 0.00 0.00 46.19 42.03 1xe0 s LEU 19 CO 0.12 -0.56 -0.11 0.12 0.23 0.00 0.00 176.35 176.15 1xe0 s PHE 20 N -1.58 1.04 0.06 0.29 5.36 0.27 -4.63 117.98 118.78 1xe0 s PHE 20 Ca 0.58 -0.22 -0.21 0.00 -0.96 0.00 0.00 56.93 56.12 1xe0 s PHE 20 Cb -0.25 -0.69 0.05 0.00 -0.34 0.00 0.00 43.02 41.80 1xe0 s PHE 20 CO 0.31 -0.04 0.50 0.20 -1.46 0.00 0.00 175.22 174.73 1xe0 s GLY 21 N -0.16 -0.40 0.10 13.12 0.00 -1.26 -0.70 107.32 118.02 1xe0 s GLY 21 Ca 0.02 0.50 -0.09 0.00 0.00 0.00 0.00 44.72 45.16 1xe0 s GLY 21 CO -0.00 0.21 0.21 0.00 0.00 0.00 0.00 173.10 173.52 1xe0 s GLU 23 N -3.87 3.14 -0.05 0.00 2.12 -1.26 -1.03 118.70 117.75 1xe0 s GLU 23 Ca 0.06 -0.77 0.05 0.00 0.36 0.00 0.00 54.97 54.67 1xe0 s GLU 23 Cb 0.05 -2.47 -0.02 0.00 0.26 0.00 0.00 34.13 31.95 1xe0 s GLU 23 CO -0.10 0.25 -0.19 -0.51 -0.54 0.00 0.00 175.26 174.17 1xe0 s LEU 24 N 0.21 2.45 0.28 2.70 1.43 0.29 -4.91 118.68 121.14 1xe0 s LEU 24 Ca -0.11 -0.33 -0.14 0.00 -1.03 0.00 0.00 54.13 52.52 1xe0 s LEU 24 Cb -0.16 -1.48 0.01 0.00 0.03 0.00 0.00 46.19 44.59 1xe0 s LEU 24 CO 0.06 0.30 0.57 -1.59 0.23 0.00 0.00 176.35 175.92 1xe0 s LYS 25 N -0.47 1.72 0.32 1.70 -2.85 -0.79 -0.05 119.74 119.31 1xe0 s LYS 25 Ca 0.06 -1.26 0.04 0.00 -1.00 0.00 0.00 55.97 53.81 1xe0 s LYS 25 Cb -0.12 0.52 0.66 0.00 -2.06 0.00 0.00 37.83 36.83 1xe0 s LYS 25 CO 0.01 -0.75 1.86 0.00 0.10 0.00 0.00 175.35 176.58 1xe0 h ALA 26 N 2.15 1.65 -0.54 0.59 0.00 -1.38 0.44 119.26 122.17 1xe0 h ALA 26 Ca -0.25 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1xe0 h ALA 26 Cb 1.25 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1xe0 h ALA 26 CO 0.33 0.12 0.00 -0.40 0.00 0.00 0.00 179.25 179.31 1xe0 n ASP 27 N -4.58 3.39 -2.75 0.00 3.85 -1.26 -4.47 116.55 110.74 1xe0 n ASP 27 Ca 0.17 -2.16 -0.06 0.00 -0.71 0.00 0.00 54.79 52.03 1xe0 n ASP 27 Cb 0.38 -0.44 0.03 0.00 -1.35 0.00 0.00 41.12 39.74 1xe0 n ASP 27 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.20 177.36 1xe0 n LYS 28 N 1.01 0.66 0.16 0.11 0.00 0.12 -5.04 118.16 115.18 1xe0 n LYS 28 Ca 0.19 -1.87 0.12 0.00 0.00 0.00 0.00 58.31 56.76 1xe0 n LYS 28 Cb 0.59 -1.46 0.16 0.00 0.00 0.00 0.00 35.03 34.32 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 4.47 0.00 -6.79 1.64 1.57 -1.72 -2.11 116.57 113.63 1xe0 h LYS 29 Ca -0.05 0.00 -0.68 0.00 -1.87 0.00 0.00 60.65 58.05 1xe0 h LYS 29 Cb 1.07 0.00 -0.23 0.00 0.08 0.00 0.00 32.23 33.15 1xe0 h LYS 29 CO 0.17 0.00 -0.87 -1.21 -0.57 0.00 0.00 179.45 176.98 1xe0 s GLU 30 N -3.23 1.49 -0.09 3.15 2.02 -1.26 -0.52 118.70 120.25 1xe0 s GLU 30 Ca 0.05 -1.26 0.01 0.00 0.02 0.00 0.00 54.97 53.79 1xe0 s GLU 30 Cb 0.08 -1.87 0.02 0.00 0.10 0.00 0.00 34.13 32.45 1xe0 s GLU 30 CO 0.70 0.46 -0.10 -0.47 0.02 0.00 0.00 175.26 175.86 1xe0 s TYR 31 N -0.99 1.47 -0.28 1.61 5.04 -0.27 -5.00 117.35 118.93 1xe0 s TYR 31 Ca 0.13 -0.63 -0.10 0.00 -2.44 0.00 0.00 57.07 54.03 1xe0 s TYR 31 Cb -0.10 -1.14 -0.04 0.00 0.35 0.00 0.00 41.96 41.03 1xe0 s TYR 31 CO 0.05 -0.38 0.16 0.45 -1.34 0.00 0.00 175.55 174.48 1xe0 s SER 32 N 1.11 5.74 -0.28 4.32 0.15 -1.26 -0.72 113.70 122.76 1xe0 s SER 32 Ca -0.06 -0.14 -0.09 0.00 0.70 0.00 0.00 55.95 56.37 1xe0 s SER 32 Cb -0.14 -2.06 -0.02 0.00 -1.71 0.00 0.00 66.02 62.09 1xe0 s SER 32 CO -0.02 -0.07 0.12 0.12 1.20 0.00 0.00 173.24 174.59 1xe0 s PHE 33 N 1.71 3.15 0.01 3.44 5.36 0.24 -5.02 117.98 126.86 1xe0 s PHE 33 Ca 0.07 -0.46 -0.01 0.00 -0.96 0.00 0.00 56.93 55.56 1xe0 s PHE 33 Cb -0.16 -2.31 -0.01 0.00 -0.34 0.00 0.00 43.02 40.20 1xe0 s PHE 33 CO 0.09 -0.39 0.00 0.15 -1.46 0.00 0.00 175.22 173.60 1xe0 s LYS 34 N 1.62 0.22 -0.05 10.12 1.02 -1.26 -1.48 119.74 129.92 1xe0 s LYS 34 Ca 0.05 -0.36 0.06 0.00 0.02 0.00 0.00 55.97 55.74 1xe0 s LYS 34 Cb -0.16 0.08 -0.01 0.00 -0.52 0.00 0.00 37.83 37.22 1xe0 s LYS 34 CO 0.06 -0.04 -0.23 0.14 -0.92 0.00 0.00 175.35 174.36 1xe0 s VAL 35 N -0.91 1.89 0.60 3.17 -7.23 -1.26 -5.08 120.40 111.57 1xe0 s VAL 35 Ca -0.10 -0.97 -0.18 0.00 -1.81 0.00 0.00 61.98 58.92 1xe0 s VAL 35 Cb -0.06 -1.60 -0.03 0.00 0.56 0.00 0.00 36.38 35.25 1xe0 s VAL 35 CO -0.00 0.53 1.14 -1.61 -0.31 0.00 0.00 175.10 174.84 1xe0 s GLU 36 N -0.10 3.04 -0.56 4.82 2.02 -1.26 -4.88 118.70 121.78 1xe0 s GLU 36 Ca -0.04 1.58 -0.26 0.00 0.02 0.00 0.00 54.97 56.27 1xe0 s GLU 36 Cb -0.13 -1.97 -0.08 0.00 0.10 0.00 0.00 34.13 32.05 1xe0 s GLU 36 CO 0.03 -1.09 2.37 0.16 0.02 0.00 0.00 175.26 176.75 1xe0 s ASP 37 N -2.03 4.39 0.22 -0.19 1.47 -1.26 -4.86 116.67 114.41 1xe0 s ASP 37 Ca 0.72 0.83 0.00 0.00 1.18 0.00 0.00 52.55 55.28 1xe0 s ASP 37 Cb -0.24 -2.51 0.00 0.00 -0.34 0.00 0.00 42.92 39.83 1xe0 s ASP 37 CO 0.34 -3.03 0.02 -0.90 0.68 0.00 0.00 175.17 172.28 1xe0 n ASP 38 N 16.21 2.50 -4.72 2.11 3.85 -1.26 -5.11 116.55 130.13 1xe0 n ASP 38 Ca 0.38 -1.95 -0.36 0.00 -0.71 0.00 0.00 54.79 52.14 1xe0 n ASP 38 Cb 0.53 0.13 -0.07 0.00 -1.35 0.00 0.00 41.12 40.36 1xe0 n ASP 38 CO 0.00 0.00 0.00 -1.61 -1.01 0.00 0.00 177.20 174.58 1xe0 s GLU 39 N -2.82 4.26 0.00 0.11 8.01 -1.26 -5.01 118.70 121.99 1xe0 s GLU 39 Ca 0.02 0.09 0.00 0.00 0.01 0.00 0.00 54.97 55.08 1xe0 s GLU 39 Cb -0.00 -3.43 0.00 0.00 -4.31 0.00 0.00 34.13 26.39 1xe0 s GLU 39 CO 0.01 0.23 0.00 0.09 0.01 0.00 0.00 175.26 175.60 1xe0 n ASN 40 N 3.61 0.00 -4.74 -0.19 3.02 -1.26 -4.95 115.26 110.75 1xe0 n ASN 40 Ca -0.12 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.03 1xe0 n ASN 40 Cb 0.52 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.64 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 -2.73 4.77 -0.05 3.52 2.02 0.11 -4.91 118.70 121.44 1xe0 s GLU 41 Ca 0.00 1.47 0.05 0.00 0.02 0.00 0.00 54.97 56.51 1xe0 s GLU 41 Cb 0.00 -3.33 -0.01 0.00 0.10 0.00 0.00 34.13 30.89 1xe0 s GLU 41 CO 0.00 0.35 -0.20 -1.01 0.02 0.00 0.00 175.26 174.41 1xe0 s HIS 42 N -0.51 2.00 0.02 1.61 3.76 -1.26 -1.39 115.29 119.51 1xe0 s HIS 42 Ca 0.44 -0.57 0.05 0.00 -0.15 0.00 0.00 55.06 54.84 1xe0 s HIS 42 Cb -0.25 -1.32 -0.02 0.00 1.11 0.00 0.00 32.58 32.10 1xe0 s HIS 42 CO 0.31 -0.17 -0.14 -0.65 -0.85 0.00 0.00 174.74 173.23 1xe0 s GLN 43 N -0.09 1.04 -0.32 1.40 -1.52 -0.48 -4.40 119.66 115.30 1xe0 s GLN 43 Ca -0.03 -0.65 -0.08 0.00 -1.95 0.00 0.00 55.36 52.65 1xe0 s GLN 43 Cb -0.12 -1.03 0.01 0.00 -0.22 0.00 0.00 33.01 31.65 1xe0 s GLN 43 CO 0.02 0.27 0.12 -1.17 -0.25 0.00 0.00 175.29 174.28 1xe0 s LEU 44 N -0.79 4.09 -0.43 2.90 2.96 -0.34 -0.55 118.68 126.52 1xe0 s LEU 44 Ca 0.04 -0.77 -0.13 0.00 -0.22 0.00 0.00 54.13 53.05 1xe0 s LEU 44 Cb -0.07 -1.93 0.06 0.00 0.50 0.00 0.00 46.19 44.75 1xe0 s LEU 44 CO 0.01 -0.24 0.30 -0.55 -1.32 0.00 0.00 176.35 174.55 1xe0 s SER 45 N 1.52 5.91 0.05 3.68 0.15 0.03 -0.54 113.70 124.49 1xe0 s SER 45 Ca 0.02 -1.23 -0.30 0.00 0.70 0.00 0.00 55.95 55.15 1xe0 s SER 45 Cb -0.18 -2.09 -0.04 0.00 -1.71 0.00 0.00 66.02 62.00 1xe0 s SER 45 CO 0.04 -0.53 0.97 -0.76 1.20 0.00 0.00 173.24 174.16 1xe0 s LEU 46 N 1.57 4.43 -0.14 3.45 1.43 0.40 -1.38 118.68 128.44 1xe0 s LEU 46 Ca 0.03 1.71 -0.08 0.00 -1.03 0.00 0.00 54.13 54.77 1xe0 s LEU 46 Cb -0.22 -3.57 -0.06 0.00 0.03 0.00 0.00 46.19 42.37 1xe0 s LEU 46 CO 0.06 -0.17 -0.19 0.54 0.23 0.00 0.00 176.35 176.82 1xe0 n ARG 47 N 3.39 0.31 -4.06 1.70 5.12 0.87 -1.46 116.66 122.53 1xe0 n ARG 47 Ca 0.04 0.14 -0.08 0.00 -1.93 0.00 0.00 57.85 56.02 1xe0 n ARG 47 Cb 0.50 -1.02 -0.10 0.00 -1.16 0.00 0.00 32.46 30.68 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 -2.29 0.21 -0.08 0.55 -4.23 -1.03 -0.25 115.64 108.53 1xe0 s THR 48 Ca -0.20 -1.53 0.02 0.00 -1.18 0.00 0.00 61.69 58.80 1xe0 s THR 48 Cb 0.07 -1.13 0.01 0.00 1.34 0.00 0.00 72.50 72.80 1xe0 s THR 48 CO 0.26 -0.83 -0.12 -0.69 -0.54 0.00 0.00 174.62 172.69 1xe0 s VAL 49 N -3.11 1.21 0.03 2.29 1.01 -0.34 -0.87 120.40 120.62 1xe0 s VAL 49 Ca -0.00 -0.50 -0.03 0.00 0.00 0.00 0.00 61.98 61.45 1xe0 s VAL 49 Cb 0.02 -1.12 -0.02 0.00 0.00 0.00 0.00 36.38 35.26 1xe0 s VAL 49 CO -0.07 0.38 0.04 -0.94 0.00 0.00 0.00 175.10 174.51 1xe0 s SER 50 N 0.86 0.22 -0.04 3.32 1.04 -0.44 -1.01 113.70 117.65 1xe0 s SER 50 Ca -0.11 -0.53 -0.18 0.00 0.48 0.00 0.00 55.95 55.61 1xe0 s SER 50 Cb -0.15 0.17 -0.05 0.00 0.10 0.00 0.00 66.02 66.09 1xe0 s SER 50 CO 0.01 -0.42 0.50 -0.76 0.98 0.00 0.00 173.24 173.56 1xe0 s LEU 51 N -1.86 4.38 0.73 2.42 1.43 -0.36 -0.64 118.68 124.77 1xe0 s LEU 51 Ca -0.09 0.98 -0.11 0.00 -1.03 0.00 0.00 54.13 53.89 1xe0 s LEU 51 Cb -0.04 -2.75 0.03 0.00 0.03 0.00 0.00 46.19 43.45 1xe0 s LEU 51 CO -0.03 0.12 1.07 -0.83 0.23 0.00 0.00 176.35 176.92 1xe0 s GLY 52 N -0.12 1.67 0.48 -3.19 0.00 -0.27 -4.92 107.32 100.96 1xe0 s GLY 52 Ca 0.27 0.13 0.17 0.00 0.00 0.00 0.00 44.72 45.29 1xe0 s GLY 52 CO 0.14 0.46 2.04 0.00 0.00 0.00 0.00 173.10 175.73 1xe0 h ALA 53 N -0.88 2.13 0.00 3.20 0.00 -1.98 -1.86 119.26 119.88 1xe0 h ALA 53 Ca -0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1xe0 h ALA 53 Cb 1.22 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1xe0 h ALA 53 CO 0.55 -0.23 -0.48 -1.13 0.00 0.00 0.00 179.25 177.96 1xe0 n SER 54 N -4.46 0.59 -4.62 0.00 3.41 -1.26 -4.94 113.62 102.34 1xe0 n SER 54 Ca 0.06 0.10 -0.47 0.00 -0.26 0.00 0.00 58.87 58.30 1xe0 n SER 54 Cb 0.34 0.04 -0.04 0.00 -0.26 0.00 0.00 64.21 64.30 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 -1.71 0.09 -1.75 7.33 0.00 -0.70 -4.87 120.51 118.89 1xe0 n ALA 55 Ca 0.04 0.44 -0.36 0.00 0.00 0.00 0.00 53.44 53.56 1xe0 n ALA 55 Cb 0.40 -2.15 0.03 0.00 0.00 0.00 0.00 19.45 17.74 1xe0 n ALA 55 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1xe0 s LYS 56 N -0.29 3.01 -1.29 0.00 1.02 -1.26 -4.92 119.74 116.02 1xe0 s LYS 56 Ca 0.72 1.88 -0.18 0.00 0.02 0.00 0.00 55.97 58.41 1xe0 s LYS 56 Cb -0.76 -1.99 0.02 0.00 -0.52 0.00 0.00 37.83 34.58 1xe0 s LYS 56 CO 0.50 -1.19 1.92 -3.47 -0.92 0.00 0.00 175.35 172.19 1xe0 n ASP 57 N -1.48 4.19 -3.91 2.83 2.03 -1.26 -4.64 116.55 114.31 1xe0 n ASP 57 Ca 0.13 -2.85 -0.09 0.00 0.52 0.00 0.00 54.79 52.50 1xe0 n ASP 57 Cb 0.49 -1.67 -0.06 0.00 -0.72 0.00 0.00 41.12 39.15 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 4.31 1.16 0.26 -0.67 -1.05 -1.26 -4.97 118.70 116.48 1xe0 s GLU 58 Ca 0.54 -1.09 -0.30 0.00 -0.15 0.00 0.00 54.97 53.97 1xe0 s GLU 58 Cb 0.07 0.40 -0.10 0.00 -0.44 0.00 0.00 34.13 34.06 1xe0 s GLU 58 CO 0.04 -0.43 1.32 -1.17 0.95 0.00 0.00 175.26 175.98 1xe0 s LEU 59 N -2.94 4.42 -0.10 1.83 2.96 -1.26 -4.48 118.68 119.12 1xe0 s LEU 59 Ca 0.14 2.54 0.03 0.00 -0.22 0.00 0.00 54.13 56.62 1xe0 s LEU 59 Cb 0.03 -3.63 -0.01 0.00 0.50 0.00 0.00 46.19 43.08 1xe0 s LEU 59 CO -0.02 -0.54 -0.19 -1.00 -1.32 0.00 0.00 176.35 173.28 1xe0 s HIS 60 N -0.39 2.65 -0.10 5.38 3.76 0.25 -3.53 115.29 123.31 1xe0 s HIS 60 Ca 0.54 -0.74 0.03 0.00 -0.15 0.00 0.00 55.06 54.74 1xe0 s HIS 60 Cb -0.38 -1.73 0.01 0.00 1.11 0.00 0.00 32.58 31.58 1xe0 s HIS 60 CO 0.44 -0.24 -0.19 0.08 -0.85 0.00 0.00 174.74 173.98 1xe0 s VAL 61 N 0.14 1.73 -0.12 -0.90 1.01 -0.31 -1.04 120.40 120.91 1xe0 s VAL 61 Ca -0.10 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.08 1xe0 s VAL 61 Cb -0.16 -1.52 -0.01 0.00 0.00 0.00 0.00 36.38 34.69 1xe0 s VAL 61 CO 0.06 0.49 -0.15 -0.69 0.00 0.00 0.00 175.10 174.80 1xe0 s VAL 62 N 0.58 2.87 0.15 2.92 1.01 -0.59 -0.72 120.40 126.62 1xe0 s VAL 62 Ca -0.15 -0.73 0.08 0.00 0.00 0.00 0.00 61.98 61.18 1xe0 s VAL 62 Cb -0.17 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 1xe0 s VAL 62 CO 0.05 0.54 -0.18 -1.83 0.00 0.00 0.00 175.10 173.67 1xe0 s GLU 63 N 0.26 1.24 0.02 2.72 -1.05 0.24 -0.63 118.70 121.50 1xe0 s GLU 63 Ca -0.11 -1.37 0.07 0.00 -0.15 0.00 0.00 54.97 53.41 1xe0 s GLU 63 Cb -0.16 -1.30 -0.03 0.00 -0.44 0.00 0.00 34.13 32.20 1xe0 s GLU 63 CO 0.06 0.27 -0.19 0.00 0.95 0.00 0.00 175.26 176.34 1xe0 s ALA 64 N -1.96 2.51 -0.15 -0.84 0.00 0.23 -0.68 121.76 120.86 1xe0 s ALA 64 Ca 0.14 -1.16 0.00 0.00 0.00 0.00 0.00 51.96 50.94 1xe0 s ALA 64 Cb -0.06 -0.72 0.03 0.00 0.00 0.00 0.00 23.12 22.37 1xe0 s ALA 64 CO 0.06 0.56 -0.11 -2.00 0.00 0.00 0.00 175.76 174.27 1xe0 s GLU 65 N -1.21 1.99 0.00 0.00 2.12 0.45 -0.99 118.70 121.06 1xe0 s GLU 65 Ca 0.13 -0.54 0.00 0.00 0.36 0.00 0.00 54.97 54.92 1xe0 s GLU 65 Cb -0.10 -2.05 0.00 0.00 0.26 0.00 0.00 34.13 32.24 1xe0 s GLU 65 CO 0.03 -0.30 0.00 0.41 -0.54 0.00 0.00 175.26 174.86 1xe0 n GLY 66 N 4.80 1.49 3.70 -1.50 0.00 -0.74 -1.19 105.19 111.76 1xe0 n GLY 66 Ca -0.15 -0.90 -0.41 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 -2.62 4.90 0.70 -0.61 -1.09 -1.26 -0.72 121.20 120.50 1xe0 s ILE 67 Ca 0.00 1.81 -0.10 0.00 -2.23 0.00 0.00 60.65 60.13 1xe0 s ILE 67 Cb 0.00 -4.21 0.16 0.00 -1.58 0.00 0.00 42.46 36.83 1xe0 s ILE 67 CO 0.00 0.13 0.95 -0.46 -1.23 0.00 0.00 174.94 174.33 1xe0 n ASN 68 N 4.32 0.22 0.00 3.58 0.23 0.36 -4.91 115.26 119.06 1xe0 n ASN 68 Ca 0.04 -1.44 0.12 0.00 -0.53 0.00 0.00 54.58 52.78 1xe0 n ASN 68 Cb 0.50 -0.71 0.59 0.00 -2.08 0.00 0.00 39.78 38.08 1xe0 n ASN 68 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1xe0 n TYR 69 N -3.23 0.00 1.15 -2.53 4.11 -1.26 -1.47 117.16 113.93 1xe0 n TYR 69 Ca 0.12 0.00 0.12 0.00 -0.00 0.00 0.00 57.90 58.15 1xe0 n TYR 69 Cb 0.43 -0.39 0.36 0.00 -0.00 0.00 0.00 39.34 39.73 1xe0 n TYR 69 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.86 177.25 1xe0 n GLU 70 N -1.39 1.93 -0.94 -3.48 1.02 -1.26 -4.94 120.64 111.58 1xe0 n GLU 70 Ca 0.09 -1.37 0.00 0.00 -0.02 0.00 0.00 57.16 55.86 1xe0 n GLU 70 Cb 0.25 -1.45 0.00 0.00 -0.02 0.00 0.00 31.44 30.22 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 1.24 0.50 3.76 0.62 0.00 -0.54 -5.03 105.19 105.74 1xe0 n GLY 71 Ca 0.17 -0.25 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.49 3.20 0.03 1.61 1.02 -1.26 -4.83 119.74 119.03 1xe0 s LYS 72 Ca 0.00 -0.29 -0.30 0.00 0.02 0.00 0.00 55.97 55.39 1xe0 s LYS 72 Cb 0.00 -2.97 -0.06 0.00 -0.52 0.00 0.00 37.83 34.28 1xe0 s LYS 72 CO 0.00 0.72 1.45 0.99 -0.92 0.00 0.00 175.35 177.59 1xe0 s THR 73 N -0.89 3.50 0.22 2.17 2.01 -1.26 -0.48 115.64 120.90 1xe0 s THR 73 Ca 0.14 0.94 0.07 0.00 0.31 0.00 0.00 61.69 63.14 1xe0 s THR 73 Cb -0.12 -3.61 -0.05 0.00 0.01 0.00 0.00 72.50 68.74 1xe0 s THR 73 CO 0.03 0.01 -0.11 0.27 -0.69 0.00 0.00 174.62 174.13 1xe0 s ILE 74 N 2.21 1.59 -0.14 1.82 -4.36 0.10 -4.93 121.20 117.50 1xe0 s ILE 74 Ca 0.66 -2.16 0.02 0.00 -0.26 0.00 0.00 60.65 58.91 1xe0 s ILE 74 Cb -0.34 -2.14 0.00 0.00 1.25 0.00 0.00 42.46 41.24 1xe0 s ILE 74 CO 0.28 -0.53 -0.19 -0.54 0.24 0.00 0.00 174.94 174.21 1xe0 s LYS 75 N -3.69 3.12 0.04 0.37 1.02 -1.26 -1.78 119.74 117.55 1xe0 s LYS 75 Ca 0.24 -0.81 0.07 0.00 0.02 0.00 0.00 55.97 55.49 1xe0 s LYS 75 Cb 0.01 -2.50 -0.02 0.00 -0.52 0.00 0.00 37.83 34.80 1xe0 s LYS 75 CO 0.07 0.03 -0.21 0.96 -0.92 0.00 0.00 175.35 175.29 1xe0 s ILE 76 N 0.73 1.66 -0.04 2.17 -4.36 -0.16 -4.96 121.20 116.23 1xe0 s ILE 76 Ca -0.08 -1.18 -0.24 0.00 -0.26 0.00 0.00 60.65 58.89 1xe0 s ILE 76 Cb -0.16 -1.44 -0.04 0.00 1.25 0.00 0.00 42.46 42.07 1xe0 s ILE 76 CO 0.01 0.22 0.73 0.00 0.24 0.00 0.00 174.94 176.13 1xe0 s ALA 77 N -0.79 3.33 -0.17 2.27 0.00 -1.26 -0.61 121.76 124.53 1xe0 s ALA 77 Ca 0.07 0.18 -0.11 0.00 0.00 0.00 0.00 51.96 52.11 1xe0 s ALA 77 Cb -0.09 -2.98 -0.22 0.00 0.00 0.00 0.00 23.12 19.83 1xe0 s ALA 77 CO 0.02 -0.08 0.21 1.28 0.00 0.00 0.00 175.76 177.19 1xe0 n LEU 78 N 3.61 2.37 -3.59 0.00 4.77 0.20 -4.92 117.00 119.44 1xe0 n LEU 78 Ca -0.01 0.25 -0.15 0.00 -0.03 0.00 0.00 56.01 56.08 1xe0 n LEU 78 Cb 0.51 -1.03 -0.07 0.00 -2.33 0.00 0.00 43.42 40.51 1xe0 n LEU 78 CO 0.47 0.66 0.46 0.00 -1.33 0.00 0.00 177.39 177.65 1xe0 s ALA 79 N -2.49 -1.80 -0.24 -1.18 0.00 -1.12 -5.01 121.76 109.92 1xe0 s ALA 79 Ca -0.27 1.76 -0.05 0.00 0.00 0.00 0.00 51.96 53.41 1xe0 s ALA 79 Cb 0.07 -0.78 -0.01 0.00 0.00 0.00 0.00 23.12 22.40 1xe0 s ALA 79 CO 0.68 -0.34 -0.00 -1.12 0.00 0.00 0.00 175.76 174.97 1xe0 s SER 80 N -0.22 4.58 0.13 0.00 0.01 -1.26 -1.55 113.70 115.39 1xe0 s SER 80 Ca -0.04 -0.44 0.06 0.00 1.31 0.00 0.00 55.95 56.85 1xe0 s SER 80 Cb -0.03 -1.79 -0.04 0.00 0.21 0.00 0.00 66.02 64.37 1xe0 s SER 80 CO 0.04 -0.06 -0.14 -0.76 0.41 0.00 0.00 173.24 172.73 1xe0 s LEU 81 N 1.50 2.42 -0.15 2.44 1.43 -0.20 -4.94 118.68 121.17 1xe0 s LEU 81 Ca 0.05 -0.83 -0.10 0.00 -1.03 0.00 0.00 54.13 52.22 1xe0 s LEU 81 Cb -0.15 -0.54 0.05 0.00 0.03 0.00 0.00 46.19 45.58 1xe0 s LEU 81 CO -0.01 -0.16 0.36 -0.75 0.23 0.00 0.00 176.35 176.02 1xe0 s LYS 82 N -2.79 0.37 0.38 1.70 2.20 -0.80 -0.59 119.74 120.22 1xe0 s LYS 82 Ca 0.10 0.64 0.05 0.00 -0.36 0.00 0.00 55.97 56.41 1xe0 s LYS 82 Cb -0.04 0.04 0.75 0.00 -1.51 0.00 0.00 37.83 37.07 1xe0 s LYS 82 CO 0.03 -0.12 2.01 -1.35 -0.36 0.00 0.00 175.35 175.55 1xe0 h PRO 83 N 6.60 0.70 -0.29 4.03 0.11 -1.82 0.14 132.00 141.47 1xe0 h PRO 83 Ca -0.34 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1xe0 h PRO 83 Cb 1.18 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1xe0 h PRO 83 CO 0.30 0.46 0.00 -1.13 -0.21 0.00 0.00 178.00 177.43 1xe0 n SER 84 N -4.46 2.60 0.00 -2.05 3.41 -1.26 -4.35 113.62 107.51 1xe0 n SER 84 Ca 0.07 -1.87 0.00 0.00 -0.26 0.00 0.00 58.87 56.81 1xe0 n SER 84 Cb 0.12 -0.19 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 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 0.94 0.00 -2.77 -3.33 0.31 -0.73 -5.03 118.33 107.72 1xe0 n VAL 85 Ca 0.18 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.47 1xe0 n VAL 85 Cb 0.47 -1.21 0.01 0.00 -0.91 0.00 0.00 33.84 32.21 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 -1.98 0.80 0.23 5.55 0.74 0.42 -4.98 119.66 120.45 1xe0 s GLN 86 Ca 0.00 -0.75 0.25 0.00 0.05 0.00 0.00 55.36 54.91 1xe0 s GLN 86 Cb 0.00 -0.03 0.88 0.00 1.10 0.00 0.00 33.01 34.97 1xe0 s GLN 86 CO 0.00 -1.00 1.75 -0.35 -0.55 0.00 0.00 175.29 175.14 1xe0 n PRO 87 N 2.97 0.23 -4.02 1.67 -0.04 -1.14 -1.90 135.00 132.78 1xe0 n PRO 87 Ca 0.15 0.30 -0.14 0.00 -0.04 0.00 0.00 63.50 63.77 1xe0 n PRO 87 Cb 0.59 -1.83 -0.14 0.00 -0.04 0.00 0.00 33.50 32.07 1xe0 n PRO 87 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1xe0 s THR 88 N -3.19 0.21 -0.11 0.52 2.01 -1.26 -1.23 115.64 112.60 1xe0 s THR 88 Ca 0.08 -0.11 0.01 0.00 0.31 0.00 0.00 61.69 61.98 1xe0 s THR 88 Cb 0.11 -0.19 0.02 0.00 0.01 0.00 0.00 72.50 72.45 1xe0 s THR 88 CO 0.52 0.06 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.68 1xe0 s VAL 89 N -0.04 1.41 -0.17 3.82 1.01 -0.18 -5.00 120.40 121.25 1xe0 s VAL 89 Ca 0.01 -0.59 -0.24 0.00 0.00 0.00 0.00 61.98 61.16 1xe0 s VAL 89 Cb -0.01 -1.31 -0.02 0.00 0.00 0.00 0.00 36.38 35.04 1xe0 s VAL 89 CO -0.00 0.43 0.79 -0.55 0.00 0.00 0.00 175.10 175.76 1xe0 s SER 90 N 1.07 6.90 0.01 3.32 0.15 -1.26 -1.20 113.70 122.69 1xe0 s SER 90 Ca -0.05 1.11 0.27 0.00 0.70 0.00 0.00 55.95 57.97 1xe0 s SER 90 Cb -0.15 -2.43 0.84 0.00 -1.71 0.00 0.00 66.02 62.57 1xe0 s SER 90 CO -0.02 -0.36 1.65 0.18 1.20 0.00 0.00 173.24 175.89 1xe0 n LEU 91 N 5.13 0.29 -1.29 3.45 4.77 0.66 -4.98 117.00 125.04 1xe0 n LEU 91 Ca 0.03 0.25 -0.15 0.00 -0.03 0.00 0.00 56.01 56.11 1xe0 n LEU 91 Cb 0.49 -0.36 -0.05 0.00 -2.33 0.00 0.00 43.42 41.16 1xe0 n LEU 91 CO 0.47 0.05 -0.16 0.61 -1.33 0.00 0.00 177.39 177.04 1xe0 n GLY 92 N 1.49 1.21 0.45 -0.72 0.00 -1.22 -3.90 105.19 102.51 1xe0 n GLY 92 Ca 0.06 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.08 0.87 3.50 -0.02 0.00 -0.53 -5.02 105.19 102.90 1xe0 n GLY 93 Ca -0.16 -0.61 -0.43 0.00 0.00 0.00 0.00 46.02 44.82 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 -2.25 2.67 0.18 1.61 5.99 -0.66 -4.75 117.98 120.77 1xe0 s PHE 94 Ca 0.00 -0.25 -0.30 0.00 0.00 0.00 0.00 56.93 56.38 1xe0 s PHE 94 Cb 0.00 -4.26 -0.07 0.00 0.00 0.00 0.00 43.02 38.69 1xe0 s PHE 94 CO 0.00 -1.59 0.98 -1.21 -0.00 0.00 0.00 175.22 173.40 1xe0 s GLU 95 N 4.26 4.74 -0.02 10.12 2.02 -1.26 -0.46 118.70 138.11 1xe0 s GLU 95 Ca 0.27 1.52 -0.00 0.00 0.02 0.00 0.00 54.97 56.78 1xe0 s GLU 95 Cb -0.14 -3.32 0.03 0.00 0.10 0.00 0.00 34.13 30.80 1xe0 s GLU 95 CO 0.15 0.31 0.03 0.42 0.02 0.00 0.00 175.26 176.19 1xe0 s ILE 96 N -0.52 -0.05 -0.04 -1.63 1.01 0.30 -4.97 121.20 115.29 1xe0 s ILE 96 Ca 0.45 0.19 -0.27 0.00 0.00 0.00 0.00 60.65 61.02 1xe0 s ILE 96 Cb -0.25 -0.08 -0.03 0.00 0.01 0.00 0.00 42.46 42.10 1xe0 s ILE 96 CO 0.32 0.08 0.87 -0.89 0.00 0.00 0.00 174.94 175.32 1xe0 s THR 97 N 0.95 4.92 0.80 2.92 2.01 -1.26 -1.20 115.64 124.78 1xe0 s THR 97 Ca -0.08 1.81 -0.13 0.00 0.31 0.00 0.00 61.69 63.61 1xe0 s THR 97 Cb -0.11 -4.21 0.08 0.00 0.01 0.00 0.00 72.50 68.27 1xe0 s THR 97 CO -0.03 0.17 1.18 -2.16 -0.69 0.00 0.00 174.62 173.09 1xe0 s PRO 98 N 1.11 1.70 0.44 4.92 0.04 -1.26 -4.45 135.00 137.50 1xe0 s PRO 98 Ca 0.46 1.66 -0.13 0.00 0.04 0.00 0.00 61.00 63.02 1xe0 s PRO 98 Cb -0.19 -1.79 -0.07 0.00 0.04 0.00 0.00 34.50 32.48 1xe0 s PRO 98 CO 0.23 -2.14 0.85 -1.25 0.04 0.00 0.00 177.00 174.72 1xe0 s PRO 99 N -4.25 3.85 -0.06 0.56 0.04 -1.26 -4.99 135.00 128.88 1xe0 s PRO 99 Ca 0.71 0.66 -0.09 0.00 0.04 0.00 0.00 61.00 62.32 1xe0 s PRO 99 Cb -0.26 -2.30 0.02 0.00 0.04 0.00 0.00 34.50 32.00 1xe0 s PRO 99 CO 0.51 -0.12 0.24 0.54 0.04 0.00 0.00 177.00 178.21 1xe0 s VAL 100 N -2.45 0.02 -0.15 -0.36 0.11 -0.55 -4.60 120.40 112.42 1xe0 s VAL 100 Ca 0.54 -0.21 -0.05 0.00 -2.93 0.00 0.00 61.98 59.33 1xe0 s VAL 100 Cb -0.10 -0.41 -0.04 0.00 -1.53 0.00 0.00 36.38 34.30 1xe0 s VAL 100 CO 0.31 -0.11 0.03 -0.63 -3.33 0.00 0.00 175.10 171.36 1xe0 s ILE 101 N -0.39 4.51 -0.16 7.04 1.01 -0.33 -0.59 121.20 132.28 1xe0 s ILE 101 Ca -0.05 -0.15 -0.07 0.00 0.00 0.00 0.00 60.65 60.38 1xe0 s ILE 101 Cb -0.03 -2.99 -0.04 0.00 0.01 0.00 0.00 42.46 39.41 1xe0 s ILE 101 CO 0.01 0.51 0.10 -0.76 0.00 0.00 0.00 174.94 174.80 1xe0 s LEU 102 N 0.01 4.06 -0.01 2.97 1.43 0.10 -0.42 118.68 126.83 1xe0 s LEU 102 Ca 0.04 0.24 0.01 0.00 -1.03 0.00 0.00 54.13 53.39 1xe0 s LEU 102 Cb -0.13 -2.01 0.01 0.00 0.03 0.00 0.00 46.19 44.09 1xe0 s LEU 102 CO 0.01 0.27 -0.01 -0.60 0.23 0.00 0.00 176.35 176.25 1xe0 s ARG 103 N -0.17 0.21 -0.84 1.70 3.52 0.15 -1.12 118.95 122.39 1xe0 s ARG 103 Ca 0.09 -0.01 -0.25 0.00 -0.13 0.00 0.00 55.73 55.43 1xe0 s ARG 103 Cb -0.12 -0.29 0.04 0.00 -1.56 0.00 0.00 34.95 33.03 1xe0 s ARG 103 CO 0.01 -0.03 1.32 -1.17 -0.81 0.00 0.00 175.30 174.62 1xe0 s LEU 104 N 0.40 3.38 0.18 -0.88 2.96 0.32 -0.59 118.68 124.44 1xe0 s LEU 104 Ca -0.04 -0.87 -0.00 0.00 -0.22 0.00 0.00 54.13 53.00 1xe0 s LEU 104 Cb -0.06 -2.55 0.07 0.00 0.50 0.00 0.00 46.19 44.14 1xe0 s LEU 104 CO -0.01 -1.69 1.44 0.50 -1.32 0.00 0.00 176.35 175.27 1xe0 h LYS 105 N 9.90 0.36 -3.44 1.98 3.64 -1.24 -3.47 116.57 124.31 1xe0 h LYS 105 Ca -0.10 -0.30 -0.08 0.00 -1.27 0.00 0.00 60.65 58.90 1xe0 h LYS 105 Cb 1.04 0.06 -0.15 0.00 -0.41 0.00 0.00 32.23 32.77 1xe0 h LYS 105 CO 1.33 0.95 -0.22 -1.54 -2.27 0.00 0.00 179.45 177.70 1xe0 s SER 106 N -6.96 -0.10 0.00 4.20 1.04 -1.16 -4.97 113.70 105.75 1xe0 s SER 106 Ca -0.05 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.05 1xe0 s SER 106 Cb 0.11 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.62 1xe0 s SER 106 CO 0.83 -0.72 0.00 0.61 0.98 0.00 0.00 173.24 174.95 1xe0 n GLY 107 N 0.18 -0.21 0.09 7.32 0.00 -1.23 -1.16 105.19 110.18 1xe0 n GLY 107 Ca -0.17 -1.73 -0.04 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 0.00 -1.67 1.61 4.64 -1.92 -3.42 113.55 112.79 1xe0 h SER 108 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xe0 h SER 108 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1xe0 h SER 108 CO 0.00 0.78 0.00 0.61 -0.87 0.00 0.00 176.83 177.35 1xe0 n GLY 109 N 1.44 -1.12 3.77 -0.77 0.00 -1.26 -1.14 105.19 106.11 1xe0 n GLY 109 Ca -0.11 -1.10 -0.38 0.00 0.00 0.00 0.00 46.02 44.44 1xe0 n GLY 109 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xe0 s PRO 110 N 0.00 3.93 0.02 1.61 0.04 -1.26 -4.09 135.00 135.25 1xe0 s PRO 110 Ca 0.00 1.84 0.07 0.00 0.04 0.00 0.00 61.00 62.95 1xe0 s PRO 110 Cb 0.00 -2.58 -0.03 0.00 0.04 0.00 0.00 34.50 31.93 1xe0 s PRO 110 CO 0.00 -0.43 -0.20 0.08 0.04 0.00 0.00 177.00 176.50 1xe0 s VAL 111 N -1.45 2.66 0.01 -0.36 1.01 0.93 -1.11 120.40 122.08 1xe0 s VAL 111 Ca 0.60 -1.13 0.07 0.00 0.00 0.00 0.00 61.98 61.51 1xe0 s VAL 111 Cb -0.31 -2.07 -0.03 0.00 0.00 0.00 0.00 36.38 33.97 1xe0 s VAL 111 CO 0.38 0.41 -0.21 -0.31 0.00 0.00 0.00 175.10 175.37 1xe0 s TYR 112 N -0.84 2.48 -0.06 5.22 1.51 0.19 -0.54 117.35 125.30 1xe0 s TYR 112 Ca 0.13 -0.31 0.05 0.00 -1.01 0.00 0.00 57.07 55.93 1xe0 s TYR 112 Cb -0.10 -1.49 -0.01 0.00 -0.11 0.00 0.00 41.96 40.24 1xe0 s TYR 112 CO 0.03 0.14 -0.23 0.08 -1.11 0.00 0.00 175.55 174.46 1xe0 s VAL 113 N -0.78 2.26 0.12 0.71 1.01 -0.20 -1.33 120.40 122.19 1xe0 s VAL 113 Ca 0.12 -1.00 0.09 0.00 0.00 0.00 0.00 61.98 61.20 1xe0 s VAL 113 Cb -0.10 -1.83 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 1xe0 s VAL 113 CO 0.02 0.57 -0.24 -0.94 0.00 0.00 0.00 175.10 174.51 1xe0 s SER 114 N -0.22 2.88 0.00 3.32 1.04 -0.05 -1.50 113.70 119.18 1xe0 s SER 114 Ca -0.01 -0.72 0.00 0.00 0.48 0.00 0.00 55.95 55.70 1xe0 s SER 114 Cb -0.13 -0.17 0.00 0.00 0.10 0.00 0.00 66.02 65.81 1xe0 s SER 114 CO 0.03 0.11 0.00 0.61 0.98 0.00 0.00 173.24 174.97 1xe0 n GLY 115 N 1.00 -0.67 3.18 7.32 0.00 0.12 -0.09 105.19 116.04 1xe0 n GLY 115 Ca -0.19 -0.45 -0.26 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.03 1.54 -0.30 1.61 -0.21 -0.48 -0.57 119.66 121.22 1xe0 s GLN 116 Ca 0.00 -0.66 -0.10 0.00 0.02 0.00 0.00 55.36 54.62 1xe0 s GLN 116 Cb 0.00 -1.47 -0.02 0.00 1.00 0.00 0.00 33.01 32.52 1xe0 s GLN 116 CO 0.00 0.38 0.17 -1.58 -2.12 0.00 0.00 175.29 172.14 1xe0 s HIS 117 N -0.39 3.19 -0.15 0.91 5.65 0.74 -0.79 115.29 124.45 1xe0 s HIS 117 Ca 0.06 -0.32 -0.07 0.00 0.25 0.00 0.00 55.06 54.99 1xe0 s HIS 117 Cb -0.08 -2.37 -0.04 0.00 -1.18 0.00 0.00 32.58 28.91 1xe0 s HIS 117 CO -0.00 -0.36 0.08 -0.51 -0.65 0.00 0.00 174.74 173.30 1xe0 s LEU 118 N 1.67 4.00 -0.12 8.88 1.43 0.28 -1.11 118.68 133.71 1xe0 s LEU 118 Ca 0.06 0.23 -0.00 0.00 -1.03 0.00 0.00 54.13 53.39 1xe0 s LEU 118 Cb -0.17 -1.99 0.02 0.00 0.03 0.00 0.00 46.19 44.09 1xe0 s LEU 118 CO 0.08 0.29 -0.10 -0.69 0.23 0.00 0.00 176.35 176.16 1xe0 s VAL 119 N -0.30 1.19 0.00 -1.59 1.01 -0.49 -1.38 120.40 118.85 1xe0 s VAL 119 Ca 0.09 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 61.68 1xe0 s VAL 119 Cb -0.12 -1.18 0.00 0.00 0.00 0.00 0.00 36.38 35.08 1xe0 s VAL 119 CO 0.01 0.40 0.33 0.00 0.00 0.00 0.00 175.10 175.84