#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xak s GLU 1 N 0.00 2.57 -0.03 0.00 0.41 -1.26 0.48 118.70 120.87 1xak s GLU 1 Ca 0.00 -0.81 0.07 0.00 -0.41 0.00 0.00 54.97 53.82 1xak s GLU 1 Cb 0.00 -2.45 -0.02 0.00 -1.78 0.00 0.00 34.13 29.89 1xak s GLU 1 CO 0.00 -0.29 -0.24 -0.51 -0.49 0.00 0.00 175.26 173.73 1xak s LEU 2 N 1.34 2.04 -0.06 1.80 1.43 -0.22 -4.97 118.68 120.04 1xak s LEU 2 Ca 0.03 -0.45 0.02 0.00 -1.03 0.00 0.00 54.13 52.70 1xak s LEU 2 Cb -0.14 -1.26 -0.03 0.00 0.03 0.00 0.00 46.19 44.79 1xak s LEU 2 CO -0.11 0.27 -0.12 -0.31 0.23 0.00 0.00 176.35 176.31 1xak s TYR 3 N -0.41 2.78 0.06 0.29 2.02 -1.26 -1.09 117.35 119.74 1xak s TYR 3 Ca 0.05 -0.16 0.08 0.00 -0.37 0.00 0.00 57.07 56.67 1xak s TYR 3 Cb -0.11 -1.68 -0.03 0.00 -0.40 0.00 0.00 41.96 39.75 1xak s TYR 3 CO 0.01 0.18 -0.23 -1.01 -1.57 0.00 0.00 175.55 172.93 1xak s HIS 4 N -0.62 1.98 -0.10 2.71 3.76 0.74 -4.95 115.29 118.81 1xak s HIS 4 Ca 0.09 -0.39 -0.06 0.00 -0.15 0.00 0.00 55.06 54.55 1xak s HIS 4 Cb -0.11 -1.15 0.04 0.00 1.11 0.00 0.00 32.58 32.46 1xak s HIS 4 CO 0.01 0.15 0.23 -0.47 -0.85 0.00 0.00 174.74 173.82 1xak s TYR 5 N -0.90 -0.29 -0.04 1.40 6.14 -1.26 -1.51 117.35 120.89 1xak s TYR 5 Ca 0.09 0.71 -0.28 0.00 0.64 0.00 0.00 57.07 58.22 1xak s TYR 5 Cb -0.09 0.06 0.06 0.00 0.42 0.00 0.00 41.96 42.40 1xak s TYR 5 CO 0.03 -0.19 0.62 1.14 0.64 0.00 0.00 175.55 177.79 1xak s GLN 6 N 0.83 1.01 0.15 4.97 -2.07 -0.83 -4.99 119.66 118.72 1xak s GLN 6 Ca -0.06 0.17 0.03 0.00 -1.82 0.00 0.00 55.36 53.68 1xak s GLN 6 Cb -0.07 0.47 -0.04 0.00 -1.09 0.00 0.00 33.01 32.28 1xak s GLN 6 CO -0.05 -0.31 0.23 -1.21 -1.32 0.00 0.00 175.29 172.62 1xak s GLU 7 N -1.28 3.26 0.15 9.60 2.02 -1.26 -1.41 118.70 129.78 1xak s GLU 7 Ca -0.11 -0.67 -0.12 0.00 0.02 0.00 0.00 54.97 54.09 1xak s GLU 7 Cb -0.01 -2.87 0.01 0.00 0.10 0.00 0.00 34.13 31.36 1xak s GLU 7 CO 0.09 0.52 0.34 0.00 0.02 0.00 0.00 175.26 176.22 1xak s VAL 9 N -3.90 4.83 0.38 0.00 1.01 -1.26 -1.51 120.40 119.94 1xak s VAL 9 Ca 0.11 1.86 -0.26 0.00 0.00 0.00 0.00 61.98 63.70 1xak s VAL 9 Cb 0.02 -4.24 -0.12 0.00 0.00 0.00 0.00 36.38 32.05 1xak s VAL 9 CO -0.05 0.02 1.03 -1.14 0.00 0.00 0.00 175.10 174.96 1xak n ARG 10 N 5.10 1.42 0.00 2.72 0.63 0.00 -2.06 116.66 124.47 1xak n ARG 10 Ca 0.07 0.51 0.00 0.00 -0.92 0.00 0.00 57.85 57.50 1xak n ARG 10 Cb 0.49 -2.01 0.00 0.00 0.45 0.00 0.00 32.46 31.39 1xak n ARG 10 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1xak n GLY 11 N 1.16 2.78 3.85 5.14 0.00 -0.83 -4.97 105.19 112.32 1xak n GLY 11 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 1xak n GLY 11 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xak s THR 12 N -1.04 2.33 -0.16 2.61 -4.23 -0.87 -4.65 115.64 109.63 1xak s THR 12 Ca 0.00 0.11 -0.13 0.00 -1.18 0.00 0.00 61.69 60.49 1xak s THR 12 Cb 0.00 -2.99 -0.05 0.00 1.34 0.00 0.00 72.50 70.81 1xak s THR 12 CO 0.00 -0.14 0.28 -0.89 -0.54 0.00 0.00 174.62 173.32 1xak s THR 13 N -3.39 5.31 -0.12 3.99 2.01 -1.26 -0.34 115.64 121.84 1xak s THR 13 Ca 0.62 0.51 -0.03 0.00 0.31 0.00 0.00 61.69 63.10 1xak s THR 13 Cb -0.13 -3.61 -0.03 0.00 0.01 0.00 0.00 72.50 68.74 1xak s THR 13 CO 0.52 0.40 0.00 -0.69 -0.69 0.00 0.00 174.62 174.16 1xak s VAL 14 N 0.39 4.27 -0.20 3.82 1.01 0.23 -4.93 120.40 124.99 1xak s VAL 14 Ca 0.16 -0.24 -0.02 0.00 0.00 0.00 0.00 61.98 61.87 1xak s VAL 14 Cb -0.13 -2.83 -0.01 0.00 0.00 0.00 0.00 36.38 33.41 1xak s VAL 14 CO 0.03 0.56 -0.08 -0.63 0.00 0.00 0.00 175.10 174.98 1xak s ILE 15 N -0.39 3.12 0.19 2.22 -1.09 -1.26 -1.82 121.20 122.18 1xak s ILE 15 Ca 0.07 -0.59 0.09 0.00 -2.23 0.00 0.00 60.65 57.99 1xak s ILE 15 Cb -0.12 -2.39 -0.04 0.00 -1.58 0.00 0.00 42.46 38.33 1xak s ILE 15 CO 0.02 0.46 -0.17 -0.76 -1.23 0.00 0.00 174.94 173.26 1xak s LEU 16 N 1.22 2.50 -0.04 2.97 1.43 -0.34 -4.98 118.68 121.44 1xak s LEU 16 Ca 0.02 -0.94 -0.15 0.00 -1.03 0.00 0.00 54.13 52.04 1xak s LEU 16 Cb -0.14 -0.81 -0.05 0.00 0.03 0.00 0.00 46.19 45.22 1xak s LEU 16 CO -0.03 -0.07 0.38 -0.75 0.23 0.00 0.00 176.35 176.11 1xak s LYS 17 N -3.20 3.98 0.35 1.70 2.47 -1.26 -0.76 119.74 123.02 1xak s LYS 17 Ca 0.20 0.34 -0.29 0.00 -1.56 0.00 0.00 55.97 54.67 1xak s LYS 17 Cb -0.04 -3.27 -0.11 0.00 -1.46 0.00 0.00 37.83 32.95 1xak s LYS 17 CO 0.08 0.57 1.42 -1.21 0.16 0.00 0.00 175.35 176.37 1xak s GLU 18 N -0.66 4.21 0.29 4.03 2.02 0.11 -4.88 118.70 123.81 1xak s GLU 18 Ca 0.23 2.42 0.25 0.00 0.02 0.00 0.00 54.97 57.88 1xak s GLU 18 Cb -0.16 -3.02 1.01 0.00 0.10 0.00 0.00 34.13 32.06 1xak s GLU 18 CO 0.11 -0.40 1.74 -1.00 0.02 0.00 0.00 175.26 175.73 1xak h PRO 19 N 3.39 0.00 -2.20 0.39 0.13 -1.96 -3.45 132.00 128.29 1xak h PRO 19 Ca -0.50 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1xak h PRO 19 Cb 1.23 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.19 1xak h PRO 19 CO 0.66 0.00 0.30 0.00 -0.23 0.00 0.00 178.00 178.73 1xak s PRO 21 N -2.03 4.17 -1.24 0.00 0.04 -1.26 -3.58 135.00 131.10 1xak s PRO 21 Ca -0.05 2.25 -0.09 0.00 0.04 0.00 0.00 61.00 63.15 1xak s PRO 21 Cb -0.00 -2.93 0.01 0.00 0.04 0.00 0.00 34.50 31.61 1xak s PRO 21 CO 0.01 -0.36 0.18 -1.13 0.04 0.00 0.00 177.00 175.73 1xak n SER 22 N 0.49 -0.50 -4.93 6.66 3.41 -1.26 -4.79 113.62 112.69 1xak n SER 22 Ca 0.02 -1.10 -0.25 0.00 -0.26 0.00 0.00 58.87 57.27 1xak n SER 22 Cb 0.42 -1.35 0.02 0.00 -0.26 0.00 0.00 64.21 63.04 1xak n SER 22 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1xak s GLY 23 N -4.05 1.58 -0.07 5.00 0.00 -1.23 -4.85 107.32 103.69 1xak s GLY 23 Ca 0.13 -0.81 -0.13 0.00 0.00 0.00 0.00 44.72 43.91 1xak s GLY 23 CO 0.85 -0.59 0.32 -0.51 0.00 0.00 0.00 173.10 173.17 1xak s THR 24 N -2.79 5.22 0.06 0.90 -4.23 -0.25 -4.88 115.64 109.66 1xak s THR 24 Ca 0.51 0.63 0.06 0.00 -1.18 0.00 0.00 61.69 61.71 1xak s THR 24 Cb -0.10 -3.63 -0.04 0.00 1.34 0.00 0.00 72.50 70.07 1xak s THR 24 CO 0.42 0.53 -0.09 -0.47 -0.54 0.00 0.00 174.62 174.47 1xak s TYR 25 N -0.58 2.78 -0.08 3.99 6.14 -1.26 -0.07 117.35 128.27 1xak s TYR 25 Ca 0.20 -0.12 -0.04 0.00 0.64 0.00 0.00 57.07 57.75 1xak s TYR 25 Cb -0.15 -1.50 0.04 0.00 0.42 0.00 0.00 41.96 40.77 1xak s TYR 25 CO 0.09 0.39 0.19 -2.00 0.64 0.00 0.00 175.55 174.85 1xak s GLU 26 N -1.85 0.14 0.15 4.97 2.12 -0.20 -5.00 118.70 119.03 1xak s GLU 26 Ca 0.19 0.42 -0.20 0.00 0.36 0.00 0.00 54.97 55.74 1xak s GLU 26 Cb -0.11 -0.13 0.07 0.00 0.26 0.00 0.00 34.13 34.21 1xak s GLU 26 CO 0.11 -0.15 0.94 0.41 -0.54 0.00 0.00 175.26 176.03 1xak n GLY 27 N 4.11 0.63 0.01 -1.50 0.00 -1.26 -0.20 105.19 106.99 1xak n GLY 27 Ca -0.25 -1.12 0.14 0.00 0.00 0.00 0.00 46.02 44.80 1xak n GLY 27 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xak n ASN 28 N -1.20 0.08 -4.14 1.61 3.02 -1.25 -4.82 115.26 108.56 1xak n ASN 28 Ca -0.01 0.06 -0.19 0.00 -0.03 0.00 0.00 54.58 54.41 1xak n ASN 28 Cb 0.52 -0.32 -0.13 0.00 -0.61 0.00 0.00 39.78 39.25 1xak n ASN 28 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1xak s SER 29 N -2.76 1.55 0.60 6.41 1.04 -1.26 -5.13 113.70 114.16 1xak s SER 29 Ca 0.22 -0.49 -0.19 0.00 0.48 0.00 0.00 55.95 55.97 1xak s SER 29 Cb 0.20 -0.08 -0.04 0.00 0.10 0.00 0.00 66.02 66.19 1xak s SER 29 CO 0.50 -0.01 1.06 -0.81 0.98 0.00 0.00 173.24 174.96 1xak n PRO 30 N 1.76 1.02 -2.63 4.02 -0.04 -1.26 -4.94 135.00 132.93 1xak n PRO 30 Ca -0.19 0.39 -0.40 0.00 -0.04 0.00 0.00 63.50 63.26 1xak n PRO 30 Cb 0.55 -2.26 -0.05 0.00 -0.04 0.00 0.00 33.50 31.70 1xak n PRO 30 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1xak s PHE 31 N -1.46 3.78 -0.60 0.54 5.36 -1.26 -4.99 117.98 119.34 1xak s PHE 31 Ca 0.76 1.78 0.04 0.00 -0.96 0.00 0.00 56.93 58.55 1xak s PHE 31 Cb -0.42 -3.13 0.16 0.00 -0.34 0.00 0.00 43.02 39.29 1xak s PHE 31 CO 0.46 -0.06 0.39 -1.01 -1.46 0.00 0.00 175.22 173.55 1xak s HIS 32 N -0.76 3.06 0.44 10.12 3.76 -1.25 -5.06 115.29 125.60 1xak s HIS 32 Ca 0.45 -3.10 -0.25 0.00 -0.15 0.00 0.00 55.06 52.01 1xak s HIS 32 Cb -0.28 -2.47 -0.08 0.00 1.11 0.00 0.00 32.58 30.87 1xak s HIS 32 CO 0.34 -0.65 1.25 -1.25 -0.85 0.00 0.00 174.74 173.59 1xak s PRO 33 N -0.83 3.82 0.36 8.40 0.04 -1.26 -1.22 135.00 144.31 1xak s PRO 33 Ca 0.23 2.02 0.04 0.00 0.04 0.00 0.00 61.00 63.33 1xak s PRO 33 Cb -0.11 -2.59 -0.03 0.00 0.04 0.00 0.00 34.50 31.80 1xak s PRO 33 CO -0.11 -0.57 0.13 -0.51 0.04 0.00 0.00 177.00 175.98 1xak s LEU 34 N -2.73 1.92 0.59 -3.56 1.43 -0.14 -4.87 118.68 111.31 1xak s LEU 34 Ca 0.60 -1.59 -0.14 0.00 -1.03 0.00 0.00 54.13 51.97 1xak s LEU 34 Cb -0.35 -0.04 -0.04 0.00 0.03 0.00 0.00 46.19 45.79 1xak s LEU 34 CO 0.43 -0.87 1.03 0.00 0.23 0.00 0.00 176.35 177.18 1xak s ALA 35 N -3.35 2.87 -0.47 4.21 0.00 -1.26 -3.76 121.76 120.00 1xak s ALA 35 Ca 0.30 0.21 -0.01 0.00 0.00 0.00 0.00 51.96 52.45 1xak s ALA 35 Cb 0.04 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 20.00 1xak s ALA 35 CO 0.16 -0.70 0.20 -0.25 0.00 0.00 0.00 175.76 175.16 1xak n ASP 36 N -2.20 -2.96 -2.58 0.00 8.00 -1.26 -3.67 116.55 111.89 1xak n ASP 36 Ca 0.08 -0.09 -0.20 0.00 0.71 0.00 0.00 54.79 55.28 1xak n ASP 36 Cb 0.53 -1.86 0.02 0.00 -0.02 0.00 0.00 41.12 39.79 1xak n ASP 36 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1xak n ASN 37 N 0.43 -5.69 -4.67 -2.24 3.02 -1.26 -4.91 115.26 99.94 1xak n ASN 37 Ca -0.03 -0.18 -0.28 0.00 -0.03 0.00 0.00 54.58 54.06 1xak n ASN 37 Cb 0.54 -4.59 -0.10 0.00 -0.61 0.00 0.00 39.78 35.02 1xak n ASN 37 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1xak s LYS 38 N -5.39 2.06 0.03 3.52 1.02 -1.24 0.05 119.74 119.79 1xak s LYS 38 Ca 0.19 -2.06 -0.14 0.00 0.02 0.00 0.00 55.97 53.97 1xak s LYS 38 Cb -0.08 -1.73 0.02 0.00 -0.52 0.00 0.00 37.83 35.52 1xak s LYS 38 CO 0.23 -0.11 0.30 -0.59 -0.92 0.00 0.00 175.35 174.27 1xak s PHE 39 N -2.70 -0.11 0.13 3.18 -0.71 0.06 -0.97 117.98 116.86 1xak s PHE 39 Ca 0.34 0.01 0.11 0.00 -1.04 0.00 0.00 56.93 56.35 1xak s PHE 39 Cb 0.07 0.09 -0.04 0.00 -1.21 0.00 0.00 43.02 41.94 1xak s PHE 39 CO 0.18 -0.48 -0.26 0.00 -1.34 0.00 0.00 175.22 173.31 1xak s ALA 40 N -2.34 2.35 0.01 1.99 0.00 -0.35 -1.19 121.76 122.21 1xak s ALA 40 Ca -0.06 -1.46 -0.21 0.00 0.00 0.00 0.00 51.96 50.22 1xak s ALA 40 Cb -0.02 -0.37 0.04 0.00 0.00 0.00 0.00 23.12 22.78 1xak s ALA 40 CO -0.02 0.52 0.47 -0.48 0.00 0.00 0.00 175.76 176.25 1xak s LEU 41 N -2.09 0.19 0.14 0.00 0.05 -0.75 -3.91 118.68 112.30 1xak s LEU 41 Ca 0.14 0.23 -0.29 0.00 0.05 0.00 0.00 54.13 54.25 1xak s LEU 41 Cb -0.10 1.87 -0.07 0.00 -2.05 0.00 0.00 46.19 45.84 1xak s LEU 41 CO 0.06 -0.60 0.94 -0.89 -0.55 0.00 0.00 176.35 175.31 1xak s THR 42 N -1.83 4.41 -0.09 5.48 2.01 -1.26 -0.60 115.64 123.75 1xak s THR 42 Ca -0.09 2.03 -0.30 0.00 0.31 0.00 0.00 61.69 63.65 1xak s THR 42 Cb -0.02 -4.30 -0.04 0.00 0.01 0.00 0.00 72.50 68.15 1xak s THR 42 CO 0.03 0.37 1.51 0.00 -0.69 0.00 0.00 174.62 175.84 1xak s THR 44 N 3.81 0.07 -0.49 0.00 -4.23 -1.26 -1.97 115.64 111.56 1xak s THR 44 Ca 0.66 -0.54 -0.28 0.00 -1.18 0.00 0.00 61.69 60.35 1xak s THR 44 Cb -0.29 -1.12 0.00 0.00 1.34 0.00 0.00 72.50 72.44 1xak s THR 44 CO 0.24 -0.30 1.53 -0.44 -0.54 0.00 0.00 174.62 175.11 1xak s SER 45 N -2.61 6.03 0.31 3.99 0.01 -1.26 -4.34 113.70 115.83 1xak s SER 45 Ca 0.01 0.59 -0.11 0.00 1.31 0.00 0.00 55.95 57.75 1xak s SER 45 Cb 0.01 -2.54 0.01 0.00 0.21 0.00 0.00 66.02 63.72 1xak s SER 45 CO -0.10 -1.72 0.56 0.28 0.41 0.00 0.00 173.24 172.67 1xak s THR 46 N 6.41 0.00 0.03 1.44 -1.32 -0.88 -4.95 115.64 116.38 1xak s THR 46 Ca 0.61 -1.34 0.05 0.00 -1.21 0.00 0.00 61.69 59.79 1xak s THR 46 Cb -0.13 -2.45 -0.02 0.00 -1.51 0.00 0.00 72.50 68.39 1xak s THR 46 CO 0.28 0.00 -0.15 -1.00 -2.21 0.00 0.00 174.62 171.54 1xak s HIS 47 N -3.39 1.27 0.22 9.09 3.76 -1.26 -0.63 115.29 124.36 1xak s HIS 47 Ca 0.22 -0.33 -0.12 0.00 -0.15 0.00 0.00 55.06 54.68 1xak s HIS 47 Cb -0.02 -0.77 -0.00 0.00 1.11 0.00 0.00 32.58 32.90 1xak s HIS 47 CO 0.13 0.03 0.43 -0.59 -0.85 0.00 0.00 174.74 173.89 1xak s PHE 48 N -0.75 0.33 0.07 1.40 -0.71 -0.57 -3.86 117.98 113.89 1xak s PHE 48 Ca 0.03 -0.69 -0.10 0.00 -1.04 0.00 0.00 56.93 55.13 1xak s PHE 48 Cb -0.07 0.14 0.00 0.00 -1.21 0.00 0.00 43.02 41.88 1xak s PHE 48 CO 0.01 -0.92 0.22 0.00 -1.34 0.00 0.00 175.22 173.19 1xak s ALA 49 N -3.99 -0.36 -0.01 1.99 0.00 0.73 0.02 121.76 120.13 1xak s ALA 49 Ca 0.20 -0.40 0.06 0.00 0.00 0.00 0.00 51.96 51.82 1xak s ALA 49 Cb 0.00 0.40 -0.01 0.00 0.00 0.00 0.00 23.12 23.51 1xak s ALA 49 CO 0.06 -0.45 -0.18 -0.06 0.00 0.00 0.00 175.76 175.13 1xak s PHE 50 N -3.25 1.59 -0.18 0.00 0.40 -0.01 -1.03 117.98 115.50 1xak s PHE 50 Ca 0.00 -0.30 -0.03 0.00 -0.60 0.00 0.00 56.93 56.00 1xak s PHE 50 Cb 0.02 -1.02 -0.01 0.00 0.51 0.00 0.00 43.02 42.52 1xak s PHE 50 CO -0.08 -0.02 -0.07 0.00 0.70 0.00 0.00 175.22 175.75 1xak s ALA 51 N -0.44 2.78 0.20 5.36 0.00 0.90 -0.94 121.76 129.62 1xak s ALA 51 Ca 0.07 -1.01 0.06 0.00 0.00 0.00 0.00 51.96 51.08 1xak s ALA 51 Cb -0.07 -1.52 -0.04 0.00 0.00 0.00 0.00 23.12 21.50 1xak s ALA 51 CO -0.01 -0.10 0.12 0.00 0.00 0.00 0.00 175.76 175.78 1xak h ALA 53 N 2.14 2.18 -0.03 0.00 0.00 -1.87 -0.66 119.26 121.03 1xak h ALA 53 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1xak h ALA 53 Cb 1.22 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1xak h ALA 53 CO 0.61 -0.29 0.00 -0.40 0.00 0.00 0.00 179.25 179.17 1xak n ASP 54 N -4.39 0.20 0.00 0.00 5.75 -1.26 -4.86 116.55 111.99 1xak n ASP 54 Ca 0.03 -1.61 0.00 0.00 -0.01 0.00 0.00 54.79 53.20 1xak n ASP 54 Cb 0.32 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.40 1xak n ASP 54 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xak n GLY 55 N 0.75 0.86 3.76 6.12 0.00 -0.25 -5.04 105.19 111.39 1xak n GLY 55 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 1xak n GLY 55 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xak s THR 56 N -3.16 4.73 -0.12 2.61 2.01 -1.25 -4.80 115.64 115.66 1xak s THR 56 Ca 0.00 1.51 0.00 0.00 0.31 0.00 0.00 61.69 63.51 1xak s THR 56 Cb 0.00 -4.05 -0.02 0.00 0.01 0.00 0.00 72.50 68.44 1xak s THR 56 CO 0.00 0.41 -0.13 -0.60 -0.69 0.00 0.00 174.62 173.61 1xak s ARG 57 N -0.31 3.25 -0.21 4.92 3.52 0.18 -1.13 118.95 129.18 1xak s ARG 57 Ca 0.35 -0.69 -0.04 0.00 -0.13 0.00 0.00 55.73 55.23 1xak s ARG 57 Cb -0.20 -2.59 -0.01 0.00 -1.56 0.00 0.00 34.95 30.59 1xak s ARG 57 CO 0.22 0.27 -0.04 -1.01 -0.81 0.00 0.00 175.30 173.92 1xak s HIS 58 N 0.19 2.96 -0.16 5.12 3.76 -0.12 -1.05 115.29 125.99 1xak s HIS 58 Ca -0.08 -0.82 -0.04 0.00 -0.15 0.00 0.00 55.06 53.97 1xak s HIS 58 Cb -0.15 -2.07 -0.03 0.00 1.11 0.00 0.00 32.58 31.44 1xak s HIS 58 CO 0.05 -0.46 -0.03 0.99 -0.85 0.00 0.00 174.74 174.44 1xak s THR 59 N 1.27 3.92 -0.03 1.30 2.01 -0.25 -0.83 115.64 123.04 1xak s THR 59 Ca 0.03 -0.34 0.03 0.00 0.31 0.00 0.00 61.69 61.72 1xak s THR 59 Cb -0.14 -2.73 -0.03 0.00 0.01 0.00 0.00 72.50 69.61 1xak s THR 59 CO -0.01 0.48 -0.12 -0.31 -0.69 0.00 0.00 174.62 173.97 1xak s TYR 60 N 0.45 2.77 -0.10 4.92 1.51 0.10 -0.19 117.35 126.82 1xak s TYR 60 Ca -0.03 -0.10 0.01 0.00 -1.01 0.00 0.00 57.07 55.93 1xak s TYR 60 Cb -0.14 -1.62 0.02 0.00 -0.11 0.00 0.00 41.96 40.10 1xak s TYR 60 CO 0.03 0.26 -0.11 -1.14 -1.11 0.00 0.00 175.55 173.48 1xak s GLN 61 N -0.97 1.80 -0.13 -0.62 0.74 -0.57 -1.52 119.66 118.39 1xak s GLN 61 Ca 0.13 -0.40 -0.03 0.00 0.05 0.00 0.00 55.36 55.11 1xak s GLN 61 Cb -0.11 -1.62 -0.03 0.00 1.10 0.00 0.00 33.01 32.35 1xak s GLN 61 CO 0.03 -0.11 -0.03 -0.51 -0.55 0.00 0.00 175.29 174.11 1xak s LEU 62 N 1.14 3.31 -0.33 3.68 1.43 0.20 -1.97 118.68 126.14 1xak s LEU 62 Ca -0.05 -0.05 -0.06 0.00 -1.03 0.00 0.00 54.13 52.94 1xak s LEU 62 Cb -0.14 -1.78 0.04 0.00 0.03 0.00 0.00 46.19 44.34 1xak s LEU 62 CO -0.03 0.24 0.09 -0.60 0.23 0.00 0.00 176.35 176.29 1xak s ARG 63 N -0.07 2.60 0.06 1.70 6.06 -0.50 -2.06 118.95 126.73 1xak s ARG 63 Ca 0.02 -1.19 -0.28 0.00 -2.50 0.00 0.00 55.73 51.78 1xak s ARG 63 Cb -0.13 -3.42 -0.05 0.00 0.06 0.00 0.00 34.95 31.41 1xak s ARG 63 CO 0.02 -0.66 0.88 0.00 -2.50 0.00 0.00 175.30 173.05 1xak s ALA 64 N 1.38 3.28 0.11 6.12 0.00 -1.26 -1.89 121.76 129.50 1xak s ALA 64 Ca -0.02 0.44 0.04 0.00 0.00 0.00 0.00 51.96 52.42 1xak s ALA 64 Cb -0.20 -3.17 -0.04 0.00 0.00 0.00 0.00 23.12 19.71 1xak s ALA 64 CO 0.02 -0.03 -0.10 -0.98 0.00 0.00 0.00 175.76 174.67 1xak s ARG 65 N 0.20 0.89 0.92 0.00 1.70 -0.57 -4.82 118.95 117.28 1xak s ARG 65 Ca 0.44 -1.25 -0.14 0.00 -0.47 0.00 0.00 55.73 54.31 1xak s ARG 65 Cb -0.22 -0.50 0.16 0.00 -0.57 0.00 0.00 34.95 33.82 1xak s ARG 65 CO 0.26 0.06 1.23 -1.54 -1.08 0.00 0.00 175.30 174.24 1xak s SER 66 N -2.70 3.46 0.00 -2.89 1.04 -1.26 -0.82 113.70 110.53 1xak s SER 66 Ca 0.09 0.56 0.00 0.00 0.48 0.00 0.00 55.95 57.08 1xak s SER 66 Cb -0.00 -0.84 0.00 0.00 0.10 0.00 0.00 66.02 65.27 1xak s SER 66 CO -0.01 -2.55 0.00 1.33 0.98 0.00 0.00 173.24 173.00