#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sxc n THR 2 N 0.00 0.00 -3.91 0.00 -2.24 -1.26 -4.65 114.28 102.23 1sxc n THR 2 Ca 0.00 -0.31 -0.12 0.00 -2.27 0.00 0.00 64.05 61.36 1sxc n THR 2 Cb 0.00 0.81 -0.13 0.00 -2.10 0.00 0.00 70.33 68.90 1sxc n THR 2 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1sxc s LYS 3 N -1.44 0.09 0.16 -0.78 1.02 -1.26 -0.66 119.74 116.86 1sxc s LYS 3 Ca 0.00 -0.14 -0.04 0.00 0.02 0.00 0.00 55.97 55.81 1sxc s LYS 3 Cb 0.01 0.00 -0.03 0.00 -0.52 0.00 0.00 37.83 37.29 1sxc s LYS 3 CO 0.03 -0.01 0.16 0.00 -0.92 0.00 0.00 175.35 174.61 1sxc s ALA 4 N -0.32 0.61 0.05 5.17 0.00 -0.50 -1.71 121.76 125.05 1sxc s ALA 4 Ca -0.03 -1.31 -0.10 0.00 0.00 0.00 0.00 51.96 50.51 1sxc s ALA 4 Cb -0.02 0.97 0.01 0.00 0.00 0.00 0.00 23.12 24.07 1sxc s ALA 4 CO -0.00 -0.57 0.22 0.54 0.00 0.00 0.00 175.76 175.95 1sxc s VAL 5 N -4.04 0.11 -0.07 0.00 0.11 -0.29 -1.18 120.40 115.03 1sxc s VAL 5 Ca 0.25 -0.87 -0.06 0.00 -2.93 0.00 0.00 61.98 58.37 1sxc s VAL 5 Cb 0.06 -0.96 0.02 0.00 -1.53 0.00 0.00 36.38 33.97 1sxc s VAL 5 CO 0.03 -0.48 0.18 0.00 -3.33 0.00 0.00 175.10 171.51 1sxc s VAL 7 N 0.14 3.06 -0.10 0.00 1.01 -1.26 -1.04 120.40 122.21 1sxc s VAL 7 Ca -0.00 -0.61 -0.20 0.00 0.00 0.00 0.00 61.98 61.17 1sxc s VAL 7 Cb -0.02 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.94 1sxc s VAL 7 CO -0.00 0.44 0.55 -0.76 0.00 0.00 0.00 175.10 175.33 1sxc s LEU 8 N 1.43 4.29 0.04 3.92 1.43 -0.08 -4.07 118.68 125.64 1sxc s LEU 8 Ca 0.05 0.93 -0.06 0.00 -1.03 0.00 0.00 54.13 54.03 1sxc s LEU 8 Cb -0.14 -2.82 -0.01 0.00 0.03 0.00 0.00 46.19 43.25 1sxc s LEU 8 CO -0.06 -0.04 0.11 -0.54 0.23 0.00 0.00 176.35 176.06 1sxc s LYS 9 N 0.68 0.63 0.00 1.70 1.02 -0.72 -2.62 119.74 120.43 1sxc s LYS 9 Ca 0.30 -0.78 0.00 0.00 0.02 0.00 0.00 55.97 55.50 1sxc s LYS 9 Cb -0.16 0.25 0.00 0.00 -0.52 0.00 0.00 37.83 37.40 1sxc s LYS 9 CO 0.13 -0.16 0.00 0.41 -0.92 0.00 0.00 175.35 174.80 1sxc n GLY 10 N 0.63 3.43 0.19 -3.33 0.00 -1.25 -1.10 105.19 103.76 1sxc n GLY 10 Ca -0.18 -0.91 0.13 0.00 0.00 0.00 0.00 46.02 45.06 1sxc n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sxc n ASP 11 N -0.07 0.84 0.00 1.61 8.00 -1.26 -4.90 116.55 120.77 1sxc n ASP 11 Ca 0.00 -0.74 0.00 0.00 0.71 0.00 0.00 54.79 54.76 1sxc n ASP 11 Cb 0.00 0.09 0.00 0.00 -0.02 0.00 0.00 41.12 41.19 1sxc n ASP 11 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sxc n GLY 12 N 1.34 5.33 0.00 0.44 0.00 -1.26 -5.02 105.19 106.02 1sxc n GLY 12 Ca 0.12 -1.99 0.15 0.00 0.00 0.00 0.00 46.02 44.30 1sxc n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1sxc n PRO 13 N 0.00 0.58 -2.51 1.61 -0.04 -1.26 -4.89 135.00 128.49 1sxc n PRO 13 Ca 0.00 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.04 1sxc n PRO 13 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 1sxc n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1sxc s VAL 14 N -2.42 4.31 0.08 0.52 1.01 -1.26 -4.52 120.40 118.12 1sxc s VAL 14 Ca 0.34 1.65 -0.08 0.00 0.00 0.00 0.00 61.98 63.89 1sxc s VAL 14 Cb 0.21 -4.06 -0.01 0.00 0.00 0.00 0.00 36.38 32.52 1sxc s VAL 14 CO 0.44 0.09 0.16 -1.10 0.00 0.00 0.00 175.10 174.69 1sxc s GLN 15 N 1.34 0.81 -0.08 2.72 -0.21 -0.99 -3.87 119.66 119.38 1sxc s GLN 15 Ca 0.56 -1.00 -0.32 0.00 0.02 0.00 0.00 55.36 54.62 1sxc s GLN 15 Cb -0.26 0.32 0.13 0.00 1.00 0.00 0.00 33.01 34.21 1sxc s GLN 15 CO 0.27 -0.25 1.33 0.20 -2.12 0.00 0.00 175.29 174.72 1sxc s GLY 16 N -2.87 -0.41 -0.07 3.09 0.00 -1.08 -0.08 107.32 105.91 1sxc s GLY 16 Ca 0.05 0.99 0.01 0.00 0.00 0.00 0.00 44.72 45.78 1sxc s GLY 16 CO -0.11 0.23 -0.08 -1.59 0.00 0.00 0.00 173.10 171.56 1sxc s THR 17 N -2.27 0.84 -0.08 0.90 2.01 -0.73 -0.90 115.64 115.40 1sxc s THR 17 Ca 0.14 -0.27 0.03 0.00 0.31 0.00 0.00 61.69 61.90 1sxc s THR 17 Cb 0.04 -0.83 -0.02 0.00 0.01 0.00 0.00 72.50 71.71 1sxc s THR 17 CO -0.05 0.30 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.37 1sxc s ILE 18 N 1.02 2.65 0.10 1.82 -1.09 -0.21 -2.54 121.20 122.94 1sxc s ILE 18 Ca -0.09 -0.84 0.08 0.00 -2.23 0.00 0.00 60.65 57.57 1sxc s ILE 18 Cb -0.14 -2.04 -0.04 0.00 -1.58 0.00 0.00 42.46 38.66 1sxc s ILE 18 CO -0.00 0.56 -0.15 -1.00 -1.23 0.00 0.00 174.94 173.12 1sxc s HIS 19 N -0.17 2.62 -0.02 3.97 3.76 0.95 -1.05 115.29 125.35 1sxc s HIS 19 Ca -0.02 -0.22 0.02 0.00 -0.15 0.00 0.00 55.06 54.70 1sxc s HIS 19 Cb -0.14 -1.41 0.00 0.00 1.11 0.00 0.00 32.58 32.15 1sxc s HIS 19 CO 0.03 0.38 -0.06 -0.06 -0.85 0.00 0.00 174.74 174.18 1sxc s PHE 20 N -1.13 0.66 -0.02 1.40 0.40 -0.33 -1.37 117.98 117.59 1sxc s PHE 20 Ca 0.19 -0.14 0.00 0.00 -0.60 0.00 0.00 56.93 56.37 1sxc s PHE 20 Cb -0.11 -0.48 0.03 0.00 0.51 0.00 0.00 43.02 42.97 1sxc s PHE 20 CO 0.10 -0.07 0.02 -2.00 0.70 0.00 0.00 175.22 173.98 1sxc s GLU 21 N 0.17 0.10 -0.01 0.44 2.12 -0.49 -1.42 118.70 119.60 1sxc s GLU 21 Ca -0.02 0.15 -0.30 0.00 0.36 0.00 0.00 54.97 55.16 1sxc s GLU 21 Cb -0.06 -0.35 -0.04 0.00 0.26 0.00 0.00 34.13 33.93 1sxc s GLU 21 CO -0.00 -0.16 1.16 0.00 -0.54 0.00 0.00 175.26 175.72 1sxc s ALA 22 N 1.09 3.42 -0.18 6.30 0.00 0.16 -0.82 121.76 131.74 1sxc s ALA 22 Ca -0.09 0.67 -0.03 0.00 0.00 0.00 0.00 51.96 52.51 1sxc s ALA 22 Cb -0.13 -3.47 0.06 0.00 0.00 0.00 0.00 23.12 19.58 1sxc s ALA 22 CO -0.02 -0.59 0.05 0.21 0.00 0.00 0.00 175.76 175.40 1sxc s LYS 23 N 1.70 0.50 7.82 0.00 2.20 0.07 -4.96 119.74 127.08 1sxc s LYS 23 Ca 0.56 -0.28 0.00 0.00 -0.36 0.00 0.00 55.97 55.89 1sxc s LYS 23 Cb -0.25 -1.92 0.00 0.00 -1.51 0.00 0.00 37.83 34.14 1sxc s LYS 23 CO 0.25 -0.61 0.00 0.41 -0.36 0.00 0.00 175.35 175.03 1sxc n GLY 24 N 5.12 3.35 1.90 5.54 0.00 -1.26 -1.06 105.19 118.77 1sxc n GLY 24 Ca -0.08 -0.15 -0.07 0.00 0.00 0.00 0.00 46.02 45.71 1sxc n GLY 24 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1sxc n ASP 25 N 5.13 4.46 -4.45 1.61 5.75 -1.26 -4.95 116.55 122.84 1sxc n ASP 25 Ca 0.00 -3.31 -0.23 0.00 -0.01 0.00 0.00 54.79 51.24 1sxc n ASP 25 Cb 0.00 -0.74 -0.10 0.00 -1.03 0.00 0.00 41.12 39.25 1sxc n ASP 25 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1sxc s THR 26 N -3.05 1.24 -0.10 2.12 -4.23 -0.22 -4.62 115.64 106.77 1sxc s THR 26 Ca 0.54 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 59.09 1sxc s THR 26 Cb 0.44 -2.75 0.00 0.00 1.34 0.00 0.00 72.50 71.52 1sxc s THR 26 CO 0.12 0.00 -0.24 -0.69 -0.54 0.00 0.00 174.62 173.27 1sxc s VAL 27 N -3.19 2.07 -0.24 2.29 1.01 0.30 -0.75 120.40 121.90 1sxc s VAL 27 Ca 0.34 -1.01 -0.12 0.00 0.00 0.00 0.00 61.98 61.18 1sxc s VAL 27 Cb 0.08 -1.79 -0.05 0.00 0.00 0.00 0.00 36.38 34.63 1sxc s VAL 27 CO 0.15 0.56 0.24 -0.69 0.00 0.00 0.00 175.10 175.36 1sxc s VAL 28 N 0.36 5.30 -0.21 2.92 1.01 -0.00 -0.70 120.40 129.08 1sxc s VAL 28 Ca -0.18 0.34 -0.02 0.00 0.00 0.00 0.00 61.98 62.11 1sxc s VAL 28 Cb -0.18 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.63 1sxc s VAL 28 CO 0.08 0.30 -0.09 -0.69 0.00 0.00 0.00 175.10 174.70 1sxc s VAL 29 N 1.29 2.98 0.24 2.92 1.01 0.55 -1.40 120.40 127.99 1sxc s VAL 29 Ca 0.11 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.48 1sxc s VAL 29 Cb -0.14 -2.33 -0.05 0.00 0.00 0.00 0.00 36.38 33.85 1sxc s VAL 29 CO 0.07 0.46 0.07 0.42 0.00 0.00 0.00 175.10 176.11 1sxc s THR 30 N 1.42 0.65 -4.95 3.92 -4.23 -0.47 -0.89 115.64 111.09 1sxc s THR 30 Ca 0.06 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.57 1sxc s THR 30 Cb -0.14 -2.52 0.00 0.00 1.34 0.00 0.00 72.50 71.18 1sxc s THR 30 CO -0.06 -0.12 0.00 0.61 -0.54 0.00 0.00 174.62 174.51 1sxc n GLY 31 N -0.43 0.98 3.31 3.99 0.00 -1.08 -0.04 105.19 111.93 1sxc n GLY 31 Ca -0.02 -1.89 -0.14 0.00 0.00 0.00 0.00 46.02 43.97 1sxc n GLY 31 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sxc s SER 32 N -4.00 -0.30 -0.03 1.61 1.04 -1.05 0.23 113.70 111.20 1sxc s SER 32 Ca 0.00 0.16 0.04 0.00 0.48 0.00 0.00 55.95 56.63 1sxc s SER 32 Cb 0.00 0.38 -0.01 0.00 0.10 0.00 0.00 66.02 66.50 1sxc s SER 32 CO 0.00 -0.54 -0.15 -0.63 0.98 0.00 0.00 173.24 172.90 1sxc s ILE 33 N -1.68 1.23 0.29 -1.02 1.01 -0.46 -1.78 121.20 118.78 1sxc s ILE 33 Ca -0.10 -0.63 0.06 0.00 0.00 0.00 0.00 60.65 59.98 1sxc s ILE 33 Cb -0.03 -1.04 -0.06 0.00 0.01 0.00 0.00 42.46 41.34 1sxc s ILE 33 CO 0.03 0.35 -0.04 0.42 0.00 0.00 0.00 174.94 175.71 1sxc s THR 34 N -0.12 1.56 0.00 2.92 -4.23 0.89 -0.33 115.64 116.34 1sxc s THR 34 Ca 0.01 -2.10 0.00 0.00 -1.18 0.00 0.00 61.69 58.42 1sxc s THR 34 Cb -0.08 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 71.26 1sxc s THR 34 CO 0.01 -0.26 0.00 0.61 -0.54 0.00 0.00 174.62 174.44 1sxc n GLY 35 N -0.60 0.52 3.92 3.99 0.00 -0.90 -2.35 105.19 109.78 1sxc n GLY 35 Ca -0.05 -0.56 -0.28 0.00 0.00 0.00 0.00 46.02 45.13 1sxc n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sxc s LEU 36 N 0.00 4.16 0.47 0.99 1.43 -0.66 -4.35 118.68 120.72 1sxc s LEU 36 Ca 0.00 0.54 -0.21 0.00 -1.03 0.00 0.00 54.13 53.43 1sxc s LEU 36 Cb 0.00 -3.33 -0.08 0.00 0.03 0.00 0.00 46.19 42.81 1sxc s LEU 36 CO 0.00 -0.11 1.06 0.42 0.23 0.00 0.00 176.35 177.95 1sxc s THR 37 N -1.95 3.68 0.44 5.49 -4.23 -1.26 -3.71 115.64 114.10 1sxc s THR 37 Ca 0.41 1.11 -0.24 0.00 -1.18 0.00 0.00 61.69 61.79 1sxc s THR 37 Cb -0.11 -3.48 -0.10 0.00 1.34 0.00 0.00 72.50 70.15 1sxc s THR 37 CO 0.29 -0.17 1.00 1.21 -0.54 0.00 0.00 174.62 176.41 1sxc n GLU 38 N -0.78 1.29 0.00 3.99 2.13 -1.26 -4.50 120.64 121.51 1sxc n GLU 38 Ca 0.08 0.47 0.00 0.00 0.66 0.00 0.00 57.16 58.37 1sxc n GLU 38 Cb 0.52 -2.05 0.00 0.00 0.27 0.00 0.00 31.44 30.17 1sxc n GLU 38 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1sxc n GLY 39 N 1.20 -0.51 3.81 8.31 0.00 0.27 -4.88 105.19 113.40 1sxc n GLY 39 Ca 0.10 -2.21 -0.37 0.00 0.00 0.00 0.00 46.02 43.54 1sxc n GLY 39 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sxc s ASP 40 N -4.00 7.10 -0.02 1.61 1.11 -1.26 0.59 116.67 121.80 1sxc s ASP 40 Ca 0.00 1.44 0.00 0.00 0.18 0.00 0.00 52.55 54.17 1sxc s ASP 40 Cb 0.00 -2.43 0.02 0.00 1.07 0.00 0.00 42.92 41.58 1sxc s ASP 40 CO 0.00 0.07 0.01 -1.00 1.18 0.00 0.00 175.17 175.43 1sxc s HIS 41 N -1.44 0.15 0.50 4.23 3.76 0.05 -2.90 115.29 119.65 1sxc s HIS 41 Ca 0.41 0.04 -0.23 0.00 -0.15 0.00 0.00 55.06 55.13 1sxc s HIS 41 Cb -0.18 -0.25 -0.06 0.00 1.11 0.00 0.00 32.58 33.20 1sxc s HIS 41 CO 0.22 -0.08 1.32 0.20 -0.85 0.00 0.00 174.74 175.55 1sxc s GLY 42 N 0.73 2.87 -0.19 -2.22 0.00 -0.12 -0.94 107.32 107.45 1sxc s GLY 42 Ca -0.07 1.25 -0.04 0.00 0.00 0.00 0.00 44.72 45.86 1sxc s GLY 42 CO -0.02 1.77 0.08 -0.12 0.00 0.00 0.00 173.10 174.82 1sxc s PHE 43 N -1.34 0.44 0.10 1.90 5.36 0.55 -1.16 117.98 123.83 1sxc s PHE 43 Ca 0.67 -0.52 -0.00 0.00 -0.96 0.00 0.00 56.93 56.11 1sxc s PHE 43 Cb -0.38 -0.81 -0.04 0.00 -0.34 0.00 0.00 43.02 41.45 1sxc s PHE 43 CO 0.46 -0.57 -0.00 -1.01 -1.46 0.00 0.00 175.22 172.64 1sxc s HIS 44 N 2.06 0.78 -0.22 10.12 3.76 -0.63 -2.81 115.29 128.34 1sxc s HIS 44 Ca 0.02 -1.09 -0.18 0.00 -0.15 0.00 0.00 55.06 53.66 1sxc s HIS 44 Cb -0.16 -0.48 -0.03 0.00 1.11 0.00 0.00 32.58 33.01 1sxc s HIS 44 CO -0.11 -0.37 0.49 0.08 -0.85 0.00 0.00 174.74 173.98 1sxc s VAL 45 N -3.88 5.11 0.29 -0.90 1.01 0.33 -0.53 120.40 121.83 1sxc s VAL 45 Ca 0.16 0.87 -0.03 0.00 0.00 0.00 0.00 61.98 62.98 1sxc s VAL 45 Cb 0.07 -3.81 -0.05 0.00 0.00 0.00 0.00 36.38 32.59 1sxc s VAL 45 CO -0.03 0.16 0.53 -1.00 0.00 0.00 0.00 175.10 174.75 1sxc s HIS 46 N 1.82 3.49 0.14 5.22 3.76 0.66 -1.30 115.29 129.08 1sxc s HIS 46 Ca 0.22 0.52 -0.17 0.00 -0.15 0.00 0.00 55.06 55.48 1sxc s HIS 46 Cb -0.15 -2.02 -0.01 0.00 1.11 0.00 0.00 32.58 31.51 1sxc s HIS 46 CO 0.09 0.19 1.80 0.37 -0.85 0.00 0.00 174.74 176.34 1sxc h GLN 47 N 1.49 0.46 -5.91 1.40 4.15 -0.31 -3.07 115.11 113.32 1sxc h GLN 47 Ca -0.48 -0.03 -0.66 0.00 0.77 0.00 0.00 58.65 58.25 1sxc h GLN 47 Cb 1.20 -0.10 -0.10 0.00 0.21 0.00 0.00 27.48 28.69 1sxc h GLN 47 CO 0.65 0.31 -0.56 -0.06 -1.93 0.00 0.00 178.83 177.25 1sxc s PHE 48 N -6.14 3.35 -0.59 3.99 0.08 -0.25 -4.67 117.98 113.76 1sxc s PHE 48 Ca -0.13 0.28 -0.02 0.00 0.12 0.00 0.00 56.93 57.18 1sxc s PHE 48 Cb 0.10 -1.80 0.26 0.00 -0.57 0.00 0.00 43.02 41.02 1sxc s PHE 48 CO 0.72 0.58 2.25 0.41 -0.10 0.00 0.00 175.22 179.08 1sxc n GLY 49 N 1.48 4.99 3.38 4.36 0.00 -1.04 -3.67 105.19 114.69 1sxc n GLY 49 Ca -0.15 -2.01 -0.40 0.00 0.00 0.00 0.00 46.02 43.46 1sxc n GLY 49 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1sxc s ASP 50 N -0.59 5.73 -0.22 1.61 -1.08 -1.26 -4.94 116.67 115.92 1sxc s ASP 50 Ca 0.53 -0.99 0.15 0.00 -0.52 0.00 0.00 52.55 51.72 1sxc s ASP 50 Cb 0.40 -2.02 0.62 0.00 -1.46 0.00 0.00 42.92 40.46 1sxc s ASP 50 CO -0.19 -0.38 1.55 -3.20 0.52 0.00 0.00 175.17 173.47 1sxc n ASN 51 N 5.00 4.28 0.23 -0.34 2.85 -1.26 -3.32 115.26 122.70 1sxc n ASN 51 Ca -0.12 -3.10 0.07 0.00 -0.11 0.00 0.00 54.58 51.32 1sxc n ASN 51 Cb 0.46 -0.61 0.54 0.00 1.24 0.00 0.00 39.78 41.41 1sxc n ASN 51 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 1sxc h THR 52 N 2.30 1.04 -1.41 -0.44 1.35 -1.92 -2.83 112.91 110.99 1sxc h THR 52 Ca 0.06 -0.61 -0.58 0.00 -0.55 0.00 0.00 66.41 64.72 1sxc h THR 52 Cb 1.71 1.34 -0.42 0.00 -1.73 0.00 0.00 68.15 69.04 1sxc h THR 52 CO 0.37 0.17 -0.75 0.00 -0.25 0.00 0.00 175.52 175.06 1sxc n GLN 53 N -4.21 3.43 0.00 4.72 6.02 -1.26 -5.05 117.38 121.04 1sxc n GLN 53 Ca -0.02 -4.45 0.00 0.00 -0.01 0.00 0.00 57.00 52.51 1sxc n GLN 53 Cb 0.24 -2.24 0.00 0.00 1.02 0.00 0.00 30.24 29.26 1sxc n GLN 53 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1sxc n GLY 54 N -0.51 1.68 0.11 1.08 0.00 -1.07 -2.73 105.19 103.74 1sxc n GLY 54 Ca 0.39 -0.62 0.13 0.00 0.00 0.00 0.00 46.02 45.92 1sxc n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sxc h THR 56 N 0.00 1.25 0.00 0.00 2.02 -1.86 -2.84 112.91 111.49 1sxc h THR 56 Ca 0.00 -1.12 0.00 0.00 0.77 0.00 0.00 66.41 66.06 1sxc h THR 56 Cb 0.74 1.09 0.00 0.00 -1.74 0.00 0.00 68.15 68.24 1sxc h THR 56 CO 0.00 0.38 0.00 -1.54 0.37 0.00 0.00 175.52 174.73 1sxc n SER 57 N -4.17 0.00 0.10 4.18 3.41 -1.25 -3.14 113.62 112.74 1sxc n SER 57 Ca 0.01 -0.94 0.10 0.00 -0.26 0.00 0.00 58.87 57.79 1sxc n SER 57 Cb 0.35 0.00 0.44 0.00 -0.26 0.00 0.00 64.21 64.74 1sxc n SER 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sxc n ALA 58 N -0.93 1.61 -0.23 7.33 0.00 -1.07 -4.47 120.51 122.74 1sxc n ALA 58 Ca 0.17 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1sxc n ALA 58 Cb 0.08 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.19 1sxc n ALA 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sxc n GLY 59 N -0.12 -1.18 2.61 0.00 0.00 -1.19 -1.09 105.19 104.23 1sxc n GLY 59 Ca 0.02 -1.23 -0.18 0.00 0.00 0.00 0.00 46.02 44.63 1sxc n GLY 59 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1sxc n PRO 60 N -0.13 -0.44 -1.77 1.61 -0.04 -1.26 -4.62 135.00 128.35 1sxc n PRO 60 Ca 0.00 -1.58 -0.38 0.00 -0.04 0.00 0.00 63.50 61.50 1sxc n PRO 60 Cb 0.00 -0.71 0.05 0.00 -0.04 0.00 0.00 33.50 32.80 1sxc n PRO 60 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1sxc s HIS 61 N -2.54 2.21 -0.15 0.54 3.76 -1.26 0.04 115.29 117.88 1sxc s HIS 61 Ca 0.48 1.41 -0.29 0.00 -0.15 0.00 0.00 55.06 56.51 1sxc s HIS 61 Cb -0.02 -3.76 -0.04 0.00 1.11 0.00 0.00 32.58 29.87 1sxc s HIS 61 CO 0.33 -2.91 1.75 0.12 -0.85 0.00 0.00 174.74 173.18 1sxc s PHE 62 N -1.34 1.84 -0.40 1.40 5.36 -0.42 -4.42 117.98 119.99 1sxc s PHE 62 Ca 0.76 0.33 0.08 0.00 -0.96 0.00 0.00 56.93 57.14 1sxc s PHE 62 Cb -0.39 -4.00 0.26 0.00 -0.34 0.00 0.00 43.02 38.55 1sxc s PHE 62 CO 0.45 -3.64 0.59 -1.71 -1.46 0.00 0.00 175.22 169.45 1sxc n ASN 63 N 8.48 -0.20 0.27 6.13 5.15 -1.26 -1.86 115.26 131.96 1sxc n ASN 63 Ca 0.20 -2.81 0.14 0.00 -0.60 0.00 0.00 54.58 51.51 1sxc n ASN 63 Cb 0.44 -0.29 0.77 0.00 -0.53 0.00 0.00 39.78 40.18 1sxc n ASN 63 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1sxc h PRO 64 N 3.90 0.00 -0.41 1.20 0.13 -1.97 -2.55 132.00 132.31 1sxc h PRO 64 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 1sxc h PRO 64 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 1sxc h PRO 64 CO 0.44 0.09 0.00 1.28 -0.23 0.00 0.00 178.00 179.59 1sxc n LEU 65 N -3.63 2.53 -3.90 1.56 4.77 -1.26 -4.99 117.00 112.08 1sxc n LEU 65 Ca -0.02 -1.20 -0.34 0.00 -0.03 0.00 0.00 56.01 54.43 1sxc n LEU 65 Cb 0.21 -0.27 0.01 0.00 -2.33 0.00 0.00 43.42 41.04 1sxc n LEU 65 CO 0.29 0.60 -0.17 -1.20 -1.33 0.00 0.00 177.39 175.58 1sxc n SER 66 N 0.88 -3.18 -4.86 -1.43 7.64 -0.96 -4.99 113.62 106.72 1sxc n SER 66 Ca 0.17 -1.10 -0.23 0.00 1.01 0.00 0.00 58.87 58.71 1sxc n SER 66 Cb 0.42 -2.74 -0.03 0.00 -1.01 0.00 0.00 64.21 60.85 1sxc n SER 66 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1sxc s LYS 67 N -6.60 2.37 0.57 1.43 1.02 -1.26 -5.14 119.74 112.13 1sxc s LYS 67 Ca 0.32 -1.76 -0.03 0.00 0.02 0.00 0.00 55.97 54.51 1sxc s LYS 67 Cb -0.14 -2.20 0.02 0.00 -0.52 0.00 0.00 37.83 34.99 1sxc s LYS 67 CO 0.91 -0.32 0.84 0.15 -0.92 0.00 0.00 175.35 176.01 1sxc s LYS 68 N -4.13 2.75 0.28 1.68 1.02 -1.26 -4.75 119.74 115.32 1sxc s LYS 68 Ca 0.42 -0.31 -0.29 0.00 0.02 0.00 0.00 55.97 55.81 1sxc s LYS 68 Cb -0.01 -2.36 -0.10 0.00 -0.52 0.00 0.00 37.83 34.84 1sxc s LYS 68 CO 0.25 -0.70 1.30 -1.58 -0.92 0.00 0.00 175.35 173.70 1sxc s HIS 69 N -2.89 3.17 0.00 3.18 5.65 -0.55 -3.23 115.29 120.62 1sxc s HIS 69 Ca 0.54 1.34 0.00 0.00 0.25 0.00 0.00 55.06 57.19 1sxc s HIS 69 Cb -0.10 -3.63 0.00 0.00 -1.18 0.00 0.00 32.58 27.67 1sxc s HIS 69 CO 0.42 -1.82 0.00 0.41 -0.65 0.00 0.00 174.74 173.10 1sxc n GLY 70 N 1.49 3.57 3.97 1.59 0.00 -1.24 -4.31 105.19 110.25 1sxc n GLY 70 Ca 0.03 -1.33 -0.21 0.00 0.00 0.00 0.00 46.02 44.50 1sxc n GLY 70 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sxc s GLY 71 N -0.69 1.67 0.52 -0.02 0.00 -1.20 -4.67 107.32 102.93 1sxc s GLY 71 Ca 0.00 -1.24 0.20 0.00 0.00 0.00 0.00 44.72 43.67 1sxc s GLY 71 CO 0.00 -1.05 2.08 -0.56 0.00 0.00 0.00 173.10 173.56 1sxc h PRO 72 N 0.40 0.03 -0.01 2.90 0.13 -1.87 -1.74 132.00 131.84 1sxc h PRO 72 Ca -0.44 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1sxc h PRO 72 Cb 1.27 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1sxc h PRO 72 CO 0.54 0.02 -0.10 1.63 -0.23 0.00 0.00 178.00 179.86 1sxc n LYS 73 N -4.47 0.94 -3.06 0.86 5.02 -1.26 -4.90 118.16 111.30 1sxc n LYS 73 Ca 0.03 -0.40 -0.32 0.00 -2.02 0.00 0.00 58.31 55.61 1sxc n LYS 73 Cb 0.32 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.78 1sxc n LYS 73 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1sxc s ASP 74 N -2.33 6.70 0.11 4.39 1.01 -0.66 -4.99 116.67 120.90 1sxc s ASP 74 Ca 0.32 1.24 0.03 0.00 0.71 0.00 0.00 52.55 54.85 1sxc s ASP 74 Cb 0.20 -2.36 -0.23 0.00 1.01 0.00 0.00 42.92 41.54 1sxc s ASP 74 CO 0.44 -0.26 1.23 -0.08 0.21 0.00 0.00 175.17 176.72 1sxc h GLU 75 N 1.98 0.10 -4.52 8.23 4.81 -1.90 -3.38 114.58 119.90 1sxc h GLU 75 Ca -0.48 -0.17 -0.72 0.00 -0.13 0.00 0.00 59.36 57.86 1sxc h GLU 75 Cb 1.18 0.06 -0.21 0.00 0.63 0.00 0.00 28.75 30.41 1sxc h GLU 75 CO 0.65 1.08 0.19 -2.00 -0.73 0.00 0.00 179.01 178.19 1sxc s GLU 76 N -2.70 3.23 0.13 1.92 2.56 -1.26 -4.97 118.70 117.60 1sxc s GLU 76 Ca -0.01 -1.64 -0.18 0.00 0.00 0.00 0.00 54.97 53.15 1sxc s GLU 76 Cb 0.09 -4.40 0.04 0.00 2.00 0.00 0.00 34.13 31.87 1sxc s GLU 76 CO 0.84 -1.51 0.44 -0.98 -0.56 0.00 0.00 175.26 173.49 1sxc s ARG 77 N 2.11 1.10 0.49 4.30 1.70 -1.22 -3.66 118.95 123.76 1sxc s ARG 77 Ca 0.15 -0.64 -0.18 0.00 -0.47 0.00 0.00 55.73 54.58 1sxc s ARG 77 Cb -0.19 0.49 -0.09 0.00 -0.57 0.00 0.00 34.95 34.59 1sxc s ARG 77 CO 0.01 -0.44 0.98 -1.01 -1.08 0.00 0.00 175.30 173.76 1sxc s HIS 78 N -3.72 3.35 0.40 5.89 3.76 -1.20 -4.72 115.29 119.05 1sxc s HIS 78 Ca 0.02 1.53 0.10 0.00 -0.15 0.00 0.00 55.06 56.56 1sxc s HIS 78 Cb 0.01 -2.84 0.90 0.00 1.11 0.00 0.00 32.58 31.77 1sxc s HIS 78 CO -0.12 -0.34 1.97 0.28 -0.85 0.00 0.00 174.74 175.68 1sxc h VAL 79 N 1.29 0.95 0.00 -0.90 2.07 -1.86 -2.27 116.25 115.53 1sxc h VAL 79 Ca -0.48 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 66.85 1sxc h VAL 79 Cb 1.19 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1sxc h VAL 79 CO 0.61 0.10 0.00 0.61 0.02 0.00 0.00 177.57 178.91 1sxc n GLY 80 N -1.49 -0.89 3.51 2.17 0.00 -0.78 -4.46 105.19 103.25 1sxc n GLY 80 Ca 0.10 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 1sxc n GLY 80 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sxc s ASP 81 N -1.86 6.23 -0.03 1.61 1.01 -0.86 -0.51 116.67 122.27 1sxc s ASP 81 Ca 0.36 -0.83 0.18 0.00 0.71 0.00 0.00 52.55 52.97 1sxc s ASP 81 Cb 0.16 -2.50 0.55 0.00 1.01 0.00 0.00 42.92 42.14 1sxc s ASP 81 CO 0.28 -1.63 1.47 0.18 0.21 0.00 0.00 175.17 175.68 1sxc n LEU 82 N 8.60 3.79 0.00 1.23 4.77 -1.12 -3.69 117.00 130.58 1sxc n LEU 82 Ca 0.05 -2.12 0.00 0.00 -0.03 0.00 0.00 56.01 53.91 1sxc n LEU 82 Cb 0.48 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1sxc n LEU 82 CO 0.67 0.87 0.00 0.61 -1.33 0.00 0.00 177.39 178.21 1sxc n GLY 83 N 1.13 0.51 3.25 -0.72 0.00 -1.23 -4.80 105.19 103.33 1sxc n GLY 83 Ca 0.21 -1.07 -0.22 0.00 0.00 0.00 0.00 46.02 44.94 1sxc n GLY 83 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1sxc s ASN 84 N -4.00 2.23 0.12 1.61 0.01 -1.26 -0.33 114.94 113.32 1sxc s ASN 84 Ca 0.00 -0.68 0.07 0.00 -0.71 0.00 0.00 52.86 51.54 1sxc s ASN 84 Cb 0.00 -0.11 -0.04 0.00 0.41 0.00 0.00 41.25 41.51 1sxc s ASN 84 CO 0.00 -0.01 -0.07 0.68 -1.51 0.00 0.00 177.10 176.19 1sxc s VAL 85 N -1.32 3.48 -0.22 1.60 -7.23 -0.12 -4.90 120.40 111.70 1sxc s VAL 85 Ca 0.04 -1.31 0.00 0.00 -1.81 0.00 0.00 61.98 58.90 1sxc s VAL 85 Cb -0.09 -2.67 0.03 0.00 0.56 0.00 0.00 36.38 34.20 1sxc s VAL 85 CO 0.04 0.04 -0.13 -0.89 -0.31 0.00 0.00 175.10 173.85 1sxc s THR 86 N -1.38 2.43 0.12 5.32 2.01 -1.26 -0.77 115.64 122.12 1sxc s THR 86 Ca 0.23 -1.03 -0.19 0.00 0.31 0.00 0.00 61.69 61.01 1sxc s THR 86 Cb -0.11 -2.16 -0.07 0.00 0.01 0.00 0.00 72.50 70.18 1sxc s THR 86 CO 0.15 0.34 0.62 0.00 -0.69 0.00 0.00 174.62 175.05 1sxc s ALA 87 N 1.29 3.54 0.85 7.40 0.00 0.20 -4.28 121.76 130.75 1sxc s ALA 87 Ca 0.02 0.08 -0.06 0.00 0.00 0.00 0.00 51.96 51.99 1sxc s ALA 87 Cb -0.15 -2.70 0.12 0.00 0.00 0.00 0.00 23.12 20.39 1sxc s ALA 87 CO -0.08 0.38 0.75 -0.40 0.00 0.00 0.00 175.76 176.40 1sxc n ASP 88 N 1.39 0.36 0.17 0.00 5.68 -0.77 -0.56 116.55 122.82 1sxc n ASP 88 Ca -0.08 -1.46 0.16 0.00 -0.50 0.00 0.00 54.79 52.91 1sxc n ASP 88 Cb 0.51 -0.54 0.76 0.00 -1.14 0.00 0.00 41.12 40.70 1sxc n ASP 88 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 1sxc h LYS 89 N 0.00 0.00 -0.05 0.11 1.57 -1.95 0.12 116.57 116.37 1sxc h LYS 89 Ca -0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 1sxc h LYS 89 Cb 0.75 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.06 1sxc h LYS 89 CO 0.20 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 179.17 1sxc n ASN 90 N -4.12 1.08 0.00 0.86 3.02 -1.26 -4.81 115.26 110.03 1sxc n ASN 90 Ca 0.02 -1.44 0.00 0.00 -0.03 0.00 0.00 54.58 53.14 1sxc n ASN 90 Cb 0.33 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.47 1sxc n ASN 90 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sxc n GLY 91 N 1.09 0.45 3.52 7.41 0.00 0.41 -4.69 105.19 113.37 1sxc n GLY 91 Ca 0.19 -0.76 -0.35 0.00 0.00 0.00 0.00 46.02 45.10 1sxc n GLY 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sxc s VAL 92 N -2.00 4.31 -0.16 1.61 1.01 -1.26 -1.65 120.40 122.27 1sxc s VAL 92 Ca 0.00 -0.19 -0.04 0.00 0.00 0.00 0.00 61.98 61.75 1sxc s VAL 92 Cb 0.00 -2.96 -0.03 0.00 0.00 0.00 0.00 36.38 33.40 1sxc s VAL 92 CO 0.00 0.42 -0.03 0.00 0.00 0.00 0.00 175.10 175.49 1sxc s ALA 93 N 0.86 3.00 -0.19 5.51 0.00 0.55 -1.85 121.76 129.65 1sxc s ALA 93 Ca 0.02 -0.84 -0.16 0.00 0.00 0.00 0.00 51.96 50.98 1sxc s ALA 93 Cb -0.14 -1.58 -0.04 0.00 0.00 0.00 0.00 23.12 21.36 1sxc s ALA 93 CO 0.02 0.17 0.40 0.42 0.00 0.00 0.00 175.76 176.77 1sxc s ILE 94 N 0.44 5.21 -0.19 0.00 -1.09 -1.26 -1.36 121.20 122.95 1sxc s ILE 94 Ca -0.04 0.72 -0.10 0.00 -2.23 0.00 0.00 60.65 59.01 1sxc s ILE 94 Cb -0.14 -3.73 -0.05 0.00 -1.58 0.00 0.00 42.46 36.96 1sxc s ILE 94 CO 0.03 0.28 0.13 -0.69 -1.23 0.00 0.00 174.94 173.45 1sxc s VAL 95 N 1.12 5.40 -0.40 2.92 1.01 0.13 -4.78 120.40 125.80 1sxc s VAL 95 Ca 0.20 0.18 0.05 0.00 0.00 0.00 0.00 61.98 62.41 1sxc s VAL 95 Cb -0.15 -3.45 0.17 0.00 0.00 0.00 0.00 36.38 32.95 1sxc s VAL 95 CO 0.08 0.46 0.47 -0.62 0.00 0.00 0.00 175.10 175.49 1sxc s ASP 96 N 0.20 0.20 -0.01 3.32 2.15 -1.23 -2.63 116.67 118.67 1sxc s ASP 96 Ca 0.09 -1.44 0.06 0.00 0.43 0.00 0.00 52.55 51.68 1sxc s ASP 96 Cb -0.11 1.02 -0.02 0.00 -0.30 0.00 0.00 42.92 43.51 1sxc s ASP 96 CO -0.01 -0.21 -0.20 -0.63 -0.17 0.00 0.00 175.17 173.95 1sxc s ILE 97 N 1.43 1.57 -0.13 4.11 1.01 -0.07 -4.99 121.20 124.13 1sxc s ILE 97 Ca 0.18 -0.86 0.01 0.00 0.00 0.00 0.00 60.65 59.99 1sxc s ILE 97 Cb -0.10 -1.31 -0.01 0.00 0.01 0.00 0.00 42.46 41.06 1sxc s ILE 97 CO -0.05 0.44 -0.17 -0.69 0.00 0.00 0.00 174.94 174.48 1sxc s VAL 98 N -0.47 2.63 -0.02 2.92 1.01 -1.26 -0.33 120.40 124.88 1sxc s VAL 98 Ca 0.08 -0.80 -0.01 0.00 0.00 0.00 0.00 61.98 61.24 1sxc s VAL 98 Cb -0.08 -2.08 0.01 0.00 0.00 0.00 0.00 36.38 34.23 1sxc s VAL 98 CO -0.01 0.53 0.04 -0.62 0.00 0.00 0.00 175.10 175.04 1sxc s ASP 99 N 0.56 -0.03 0.01 3.32 2.15 0.12 -4.96 116.67 117.84 1sxc s ASP 99 Ca -0.10 0.08 0.24 0.00 0.43 0.00 0.00 52.55 53.20 1sxc s ASP 99 Cb -0.16 0.06 0.34 0.00 -0.30 0.00 0.00 42.92 42.86 1sxc s ASP 99 CO 0.04 -0.03 1.29 -0.81 -0.17 0.00 0.00 175.17 175.49 1sxc n PRO 100 N 3.22 0.03 -0.04 4.34 -0.04 -1.26 -0.53 135.00 140.72 1sxc n PRO 100 Ca -0.14 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.10 1sxc n PRO 100 Cb 0.58 -1.51 -0.13 0.00 -0.04 0.00 0.00 33.50 32.40 1sxc n PRO 100 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1sxc n LEU 101 N -1.56 2.34 -4.75 1.53 4.77 -1.26 -4.83 117.00 113.23 1sxc n LEU 101 Ca 0.05 0.29 -0.33 0.00 -0.03 0.00 0.00 56.01 55.99 1sxc n LEU 101 Cb 0.35 -1.06 0.07 0.00 -2.33 0.00 0.00 43.42 40.45 1sxc n LEU 101 CO 0.37 0.64 0.74 0.27 -1.33 0.00 0.00 177.39 178.07 1sxc s ILE 102 N -2.48 2.99 0.18 -0.08 -4.36 -1.26 -4.86 121.20 111.33 1sxc s ILE 102 Ca -0.25 0.42 -0.07 0.00 -0.26 0.00 0.00 60.65 60.50 1sxc s ILE 102 Cb 0.06 -2.91 -0.02 0.00 1.25 0.00 0.00 42.46 40.85 1sxc s ILE 102 CO 0.70 -0.32 0.24 -0.55 0.24 0.00 0.00 174.94 175.25 1sxc s SER 103 N -2.66 0.09 0.00 4.36 0.15 -1.06 -4.50 113.70 110.08 1sxc s SER 103 Ca 0.67 -1.04 0.20 0.00 0.70 0.00 0.00 55.95 56.48 1sxc s SER 103 Cb -0.22 0.42 0.44 0.00 -1.71 0.00 0.00 66.02 64.96 1sxc s SER 103 CO 0.47 -0.89 1.37 0.18 1.20 0.00 0.00 173.24 175.56 1sxc n LEU 104 N -0.23 3.40 -3.75 3.45 4.77 -1.26 -1.88 117.00 121.50 1sxc n LEU 104 Ca -0.04 -1.68 -0.09 0.00 -0.03 0.00 0.00 56.01 54.17 1sxc n LEU 104 Cb 0.63 -0.29 -0.02 0.00 -2.33 0.00 0.00 43.42 41.41 1sxc n LEU 104 CO 0.27 0.78 0.42 -0.94 -1.33 0.00 0.00 177.39 176.59 1sxc s SER 105 N -1.23 -0.33 0.14 -1.43 1.04 -1.26 -3.62 113.70 107.02 1sxc s SER 105 Ca 0.37 -0.47 0.00 0.00 0.48 0.00 0.00 55.95 56.33 1sxc s SER 105 Cb 0.21 0.68 0.00 0.00 0.10 0.00 0.00 66.02 67.01 1sxc s SER 105 CO 0.28 -1.22 0.00 0.61 0.98 0.00 0.00 173.24 173.89 1sxc n GLY 106 N -0.43 -1.26 0.30 7.32 0.00 -1.26 -3.74 105.19 106.13 1sxc n GLY 106 Ca -0.08 -1.26 -0.02 0.00 0.00 0.00 0.00 46.02 44.67 1sxc n GLY 106 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1sxc h GLU 107 N 0.00 0.76 -0.73 1.61 4.81 -2.00 -2.56 114.58 116.46 1sxc h GLU 107 Ca 0.00 -0.14 -0.02 0.00 -0.13 0.00 0.00 59.36 59.07 1sxc h GLU 107 Cb 0.00 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 1sxc h GLU 107 CO 0.00 0.68 0.03 0.66 -0.73 0.00 0.00 179.01 179.65 1sxc n TYR 108 N -4.29 1.48 -1.82 0.92 4.01 -1.26 -4.97 117.16 111.23 1sxc n TYR 108 Ca 0.04 -0.55 -0.41 0.00 -0.16 0.00 0.00 57.90 56.81 1sxc n TYR 108 Cb 0.21 -0.41 -0.01 0.00 -0.31 0.00 0.00 39.34 38.82 1sxc n TYR 108 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1sxc s SER 109 N -0.53 6.41 0.00 7.72 0.15 -0.97 -2.56 113.70 123.91 1sxc s SER 109 Ca 0.38 2.92 0.22 0.00 0.70 0.00 0.00 55.95 60.17 1sxc s SER 109 Cb 0.29 -2.64 0.19 0.00 -1.71 0.00 0.00 66.02 62.15 1sxc s SER 109 CO 0.11 -0.88 1.21 2.30 1.20 0.00 0.00 173.24 177.18 1sxc n ILE 110 N 1.95 0.03 -1.84 6.45 -5.35 -0.79 -4.91 119.36 114.91 1sxc n ILE 110 Ca 0.07 -0.51 -0.42 0.00 -0.27 0.00 0.00 62.75 61.62 1sxc n ILE 110 Cb 0.38 1.43 -0.02 0.00 -1.74 0.00 0.00 39.64 39.69 1sxc n ILE 110 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1sxc s ILE 111 N -1.81 2.26 0.00 7.28 -1.09 -1.26 -1.17 121.20 125.40 1sxc s ILE 111 Ca 0.26 0.21 0.00 0.00 -2.23 0.00 0.00 60.65 58.89 1sxc s ILE 111 Cb 0.19 -3.13 0.00 0.00 -1.58 0.00 0.00 42.46 37.93 1sxc s ILE 111 CO 0.28 0.03 0.00 0.61 -1.23 0.00 0.00 174.94 174.63 1sxc n GLY 112 N 2.58 0.86 1.64 6.18 0.00 0.11 -4.98 105.19 111.58 1sxc n GLY 112 Ca 0.09 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.02 1sxc n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sxc n ARG 113 N -2.03 0.99 -4.77 1.61 1.74 -0.32 -2.50 116.66 111.38 1sxc n ARG 113 Ca 0.00 -1.40 -0.33 0.00 -0.77 0.00 0.00 57.85 55.35 1sxc n ARG 113 Cb 0.00 0.03 -0.15 0.00 -1.02 0.00 0.00 32.46 31.32 1sxc n ARG 113 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1sxc s THR 114 N -0.86 2.71 -0.06 0.55 2.01 -1.16 -0.64 115.64 118.20 1sxc s THR 114 Ca 0.19 -0.77 -0.19 0.00 0.31 0.00 0.00 61.69 61.23 1sxc s THR 114 Cb -0.02 -2.12 -0.05 0.00 0.01 0.00 0.00 72.50 70.32 1sxc s THR 114 CO 0.12 0.53 0.54 -0.32 -0.69 0.00 0.00 174.62 174.81 1sxc s MET 115 N 0.52 4.31 -0.02 4.92 1.75 -0.87 -0.24 119.30 129.66 1sxc s MET 115 Ca -0.10 0.61 0.04 0.00 -1.25 0.00 0.00 55.69 54.99 1sxc s MET 115 Cb -0.16 -3.38 -0.01 0.00 2.84 0.00 0.00 34.83 34.12 1sxc s MET 115 CO 0.04 0.27 -0.15 0.08 -0.65 0.00 0.00 175.02 174.62 1sxc s VAL 116 N 0.18 1.17 -0.14 10.11 1.01 0.31 -2.36 120.40 130.68 1sxc s VAL 116 Ca 0.29 -0.62 -0.02 0.00 0.00 0.00 0.00 61.98 61.64 1sxc s VAL 116 Cb -0.17 -0.99 -0.02 0.00 0.00 0.00 0.00 36.38 35.20 1sxc s VAL 116 CO 0.14 0.34 -0.09 0.54 0.00 0.00 0.00 175.10 176.03 1sxc s VAL 117 N -0.21 3.36 0.30 2.92 0.11 -0.93 -1.61 120.40 124.35 1sxc s VAL 117 Ca 0.03 -0.55 0.07 0.00 -2.93 0.00 0.00 61.98 58.60 1sxc s VAL 117 Cb -0.07 -2.44 -0.03 0.00 -1.53 0.00 0.00 36.38 32.31 1sxc s VAL 117 CO 0.00 0.51 0.29 -1.00 -3.33 0.00 0.00 175.10 171.57 1sxc s HIS 118 N 0.43 3.04 0.24 1.54 3.76 -0.31 -0.81 115.29 123.19 1sxc s HIS 118 Ca -0.07 -0.21 -0.03 0.00 -0.15 0.00 0.00 55.06 54.60 1sxc s HIS 118 Cb -0.15 -1.68 0.27 0.00 1.11 0.00 0.00 32.58 32.13 1sxc s HIS 118 CO 0.04 0.28 1.70 1.49 -0.85 0.00 0.00 174.74 177.41 1sxc h GLU 119 N 1.27 0.78 -5.59 1.40 4.81 -1.01 -3.37 114.58 112.88 1sxc h GLU 119 Ca -0.47 -0.25 -0.63 0.00 -0.13 0.00 0.00 59.36 57.88 1sxc h GLU 119 Cb 1.25 -0.07 -0.12 0.00 0.63 0.00 0.00 28.75 30.44 1sxc h GLU 119 CO 0.59 0.85 -0.56 0.15 -0.73 0.00 0.00 179.01 179.31 1sxc s LYS 120 N -4.82 2.05 0.57 1.92 1.02 0.70 -4.89 119.74 116.29 1sxc s LYS 120 Ca -0.09 -2.15 -0.19 0.00 0.02 0.00 0.00 55.97 53.56 1sxc s LYS 120 Cb 0.14 -1.67 -0.05 0.00 -0.52 0.00 0.00 37.83 35.74 1sxc s LYS 120 CO 0.82 -0.15 1.19 -2.14 -0.92 0.00 0.00 175.35 174.16 1sxc s PRO 121 N -3.79 3.14 -0.15 -1.68 0.02 -1.14 -0.94 135.00 130.46 1sxc s PRO 121 Ca 0.29 1.79 -0.19 0.00 0.02 0.00 0.00 61.00 62.91 1sxc s PRO 121 Cb 0.07 -2.00 -0.04 0.00 0.02 0.00 0.00 34.50 32.55 1sxc s PRO 121 CO 0.15 -1.06 0.53 0.34 -0.33 0.00 0.00 177.00 176.62 1sxc s ASP 122 N -1.58 6.67 0.00 2.53 -1.08 -1.26 -3.87 116.67 118.07 1sxc s ASP 122 Ca 0.75 0.80 0.15 0.00 -0.52 0.00 0.00 52.55 53.73 1sxc s ASP 122 Cb -0.29 -2.31 0.86 0.00 -1.46 0.00 0.00 42.92 39.72 1sxc s ASP 122 CO 0.32 -0.10 1.56 -0.90 0.52 0.00 0.00 175.17 176.58 1sxc n ASP 123 N 4.20 0.15 -1.63 -0.34 5.68 0.77 -4.89 116.55 120.49 1sxc n ASP 123 Ca -0.05 -1.56 -0.18 0.00 -0.50 0.00 0.00 54.79 52.50 1sxc n ASP 123 Cb 0.51 -0.01 -0.05 0.00 -1.14 0.00 0.00 41.12 40.42 1sxc n ASP 123 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1sxc n LEU 124 N -0.63 -1.50 0.00 -2.12 4.77 -1.26 -2.11 117.00 114.14 1sxc n LEU 124 Ca 0.11 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.38 1sxc n LEU 124 Cb 0.07 -2.59 0.00 0.00 -2.33 0.00 0.00 43.42 38.58 1sxc n LEU 124 CO 0.09 -0.69 0.00 0.61 -1.33 0.00 0.00 177.39 176.07 1sxc n GLY 125 N -0.83 0.79 1.31 -0.72 0.00 -1.24 -3.21 105.19 101.29 1sxc n GLY 125 Ca -0.19 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.79 1sxc n GLY 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sxc n ARG 126 N -2.18 2.34 0.00 1.61 1.74 -0.90 -4.62 116.66 114.66 1sxc n ARG 126 Ca 0.00 -3.07 0.14 0.00 -0.77 0.00 0.00 57.85 54.15 1sxc n ARG 126 Cb 0.00 -1.91 0.61 0.00 -1.02 0.00 0.00 32.46 30.14 1sxc n ARG 126 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1sxc n GLY 127 N -0.88 -1.40 2.20 -0.13 0.00 -1.26 -4.92 105.19 98.79 1sxc n GLY 127 Ca 0.35 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1sxc n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sxc n GLY 128 N 1.45 2.89 4.00 -0.02 0.00 -1.26 -4.99 105.19 107.25 1sxc n GLY 128 Ca 0.09 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.89 1sxc n GLY 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sxc s ASN 129 N -0.02 4.98 0.11 1.61 2.20 -1.26 -5.04 114.94 117.52 1sxc s ASN 129 Ca 0.00 -0.95 -0.16 0.00 -0.94 0.00 0.00 52.86 50.81 1sxc s ASN 129 Cb 0.00 0.33 -0.05 0.00 -2.00 0.00 0.00 41.25 39.54 1sxc s ASN 129 CO 0.00 -1.28 1.54 -0.08 -2.94 0.00 0.00 177.10 174.34 1sxc h GLU 130 N 0.32 0.61 -0.46 3.55 4.81 -2.00 -2.96 114.58 118.45 1sxc h GLU 130 Ca -0.31 -0.20 0.02 0.00 -0.13 0.00 0.00 59.36 58.73 1sxc h GLU 130 Cb 1.29 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.60 1sxc h GLU 130 CO 0.45 0.75 0.30 1.49 -0.73 0.00 0.00 179.01 181.27 1sxc h GLU 131 N 0.42 0.54 -0.95 1.92 4.57 -2.00 -1.90 114.58 117.18 1sxc h GLU 131 Ca 0.09 -0.03 0.12 0.00 -1.18 0.00 0.00 59.36 58.36 1sxc h GLU 131 Cb 0.48 -0.12 -0.08 0.00 -0.16 0.00 0.00 28.75 28.86 1sxc h GLU 131 CO 0.02 0.36 0.58 1.03 -1.18 0.00 0.00 179.01 179.82 1sxc h SER 132 N 0.56 0.83 -0.02 1.04 0.87 -1.86 0.02 113.55 114.99 1sxc h SER 132 Ca 0.18 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.79 1sxc h SER 132 Cb 0.03 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 61.88 1sxc h SER 132 CO -0.04 0.44 0.00 0.35 -0.53 0.00 0.00 176.83 177.04 1sxc n THR 133 N -4.68 0.02 -0.05 2.23 -2.24 -0.72 -1.71 114.28 107.14 1sxc n THR 133 Ca 0.18 -0.08 -0.11 0.00 -2.27 0.00 0.00 64.05 61.77 1sxc n THR 133 Cb 0.35 -0.18 -0.04 0.00 -2.10 0.00 0.00 70.33 68.36 1sxc n THR 133 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1sxc n LYS 134 N -0.60 0.24 0.00 -0.78 5.02 -0.20 -1.48 118.16 120.35 1sxc n LYS 134 Ca 0.19 0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.59 1sxc n LYS 134 Cb 0.16 -0.91 0.00 0.00 -0.02 0.00 0.00 35.03 34.26 1sxc n LYS 134 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1sxc n THR 135 N -3.58 0.00 -1.01 -0.18 -2.24 -0.18 -4.58 114.28 102.51 1sxc n THR 135 Ca -0.20 -0.43 -0.00 0.00 -2.27 0.00 0.00 64.05 61.14 1sxc n THR 135 Cb 0.60 1.06 -0.00 0.00 -2.10 0.00 0.00 70.33 69.88 1sxc n THR 135 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sxc n GLY 136 N 0.50 0.43 2.43 3.38 0.00 -0.69 -3.53 105.19 107.71 1sxc n GLY 136 Ca 0.00 -0.08 -0.19 0.00 0.00 0.00 0.00 46.02 45.75 1sxc n GLY 136 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1sxc n ASN 137 N -0.04 -5.52 0.03 1.61 3.02 -1.25 -0.17 115.26 112.94 1sxc n ASN 137 Ca -0.00 0.02 0.08 0.00 -0.03 0.00 0.00 54.58 54.64 1sxc n ASN 137 Cb 0.09 -4.60 0.35 0.00 -0.61 0.00 0.00 39.78 35.01 1sxc n ASN 137 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sxc n ALA 138 N -2.11 1.66 -0.17 5.41 0.00 -1.23 -4.74 120.51 119.34 1sxc n ALA 138 Ca -0.22 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1sxc n ALA 138 Cb 0.67 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.85 1sxc n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sxc n GLY 139 N -0.01 -0.82 3.71 0.00 0.00 -1.26 -0.22 105.19 106.59 1sxc n GLY 139 Ca 0.03 -1.17 -0.30 0.00 0.00 0.00 0.00 46.02 44.58 1sxc n GLY 139 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sxc s SER 140 N -4.00 3.38 -0.46 1.61 1.04 -1.26 -4.62 113.70 109.38 1sxc s SER 140 Ca 0.00 1.54 -0.20 0.00 0.48 0.00 0.00 55.95 57.78 1sxc s SER 140 Cb 0.00 -2.21 0.03 0.00 0.10 0.00 0.00 66.02 63.94 1sxc s SER 140 CO 0.00 -2.71 0.60 -0.13 0.98 0.00 0.00 173.24 171.98 1sxc s ARG 141 N -4.89 3.19 0.13 4.02 0.52 -1.26 -0.99 118.95 119.66 1sxc s ARG 141 Ca 0.64 -0.62 -0.05 0.00 -0.52 0.00 0.00 55.73 55.18 1sxc s ARG 141 Cb -0.18 -4.00 -0.09 0.00 0.52 0.00 0.00 34.95 31.19 1sxc s ARG 141 CO 0.57 -1.06 1.31 -0.07 0.02 0.00 0.00 175.30 176.08 1sxc h LEU 142 N 9.59 0.59 -7.00 2.53 3.38 -1.28 -3.48 115.31 119.65 1sxc h LEU 142 Ca -0.26 -0.45 -0.04 0.00 0.09 0.00 0.00 57.88 57.22 1sxc h LEU 142 Cb 1.10 -0.18 -0.17 0.00 0.09 0.00 0.00 40.66 41.50 1sxc h LEU 142 CO 0.90 1.25 0.22 0.00 0.09 0.00 0.00 178.44 180.89 1sxc s ALA 143 N -3.35 -1.72 0.28 1.53 0.00 -1.22 -4.18 121.76 113.10 1sxc s ALA 143 Ca -0.06 1.04 -0.18 0.00 0.00 0.00 0.00 51.96 52.76 1sxc s ALA 143 Cb 0.09 0.28 0.01 0.00 0.00 0.00 0.00 23.12 23.51 1sxc s ALA 143 CO 0.87 -0.51 0.64 0.00 0.00 0.00 0.00 175.76 176.76 1sxc s GLY 145 N -2.97 -0.53 0.16 0.00 0.00 -0.99 -1.76 107.32 101.23 1sxc s GLY 145 Ca 0.15 0.93 -0.28 0.00 0.00 0.00 0.00 44.72 45.52 1sxc s GLY 145 CO 0.08 0.40 0.87 0.14 0.00 0.00 0.00 173.10 174.60 1sxc s VAL 146 N -2.96 4.35 -0.27 1.40 1.01 -1.26 -2.06 120.40 120.61 1sxc s VAL 146 Ca 0.01 1.91 -0.28 0.00 0.00 0.00 0.00 61.98 63.62 1sxc s VAL 146 Cb -0.01 -4.25 0.01 0.00 0.00 0.00 0.00 36.38 32.14 1sxc s VAL 146 CO -0.07 0.44 1.00 -0.63 0.00 0.00 0.00 175.10 175.84 1sxc s ILE 147 N -0.73 4.64 0.36 2.22 1.01 0.19 -4.51 121.20 124.39 1sxc s ILE 147 Ca 0.41 1.78 0.09 0.00 0.00 0.00 0.00 60.65 62.93 1sxc s ILE 147 Cb -0.24 -4.31 -0.07 0.00 0.01 0.00 0.00 42.46 37.85 1sxc s ILE 147 CO 0.29 -0.29 -0.06 -0.83 0.00 0.00 0.00 174.94 174.04 1sxc s GLY 148 N 1.43 2.29 0.12 6.18 0.00 -0.58 0.09 107.32 116.85 1sxc s GLY 148 Ca 0.42 -2.16 -0.31 0.00 0.00 0.00 0.00 44.72 42.68 1sxc s GLY 148 CO 0.10 -2.05 1.28 -0.42 0.00 0.00 0.00 173.10 172.01 1sxc s ILE 149 N -2.64 3.59 0.30 0.90 1.01 -1.26 -1.14 121.20 121.97 1sxc s ILE 149 Ca 0.33 1.19 0.10 0.00 0.00 0.00 0.00 60.65 62.27 1sxc s ILE 149 Cb 0.05 -3.76 -0.05 0.00 0.01 0.00 0.00 42.46 38.71 1sxc s ILE 149 CO 0.17 0.12 -0.01 0.00 0.00 0.00 0.00 174.94 175.22 1sxc s ALA 150 N 0.77 3.15 -2.00 9.38 0.00 -0.69 -4.78 121.76 127.58 1sxc s ALA 150 Ca 0.60 -1.82 0.22 0.00 0.00 0.00 0.00 51.96 50.96 1sxc s ALA 150 Cb -0.33 -0.54 1.32 0.00 0.00 0.00 0.00 23.12 23.56 1sxc s ALA 150 CO 0.32 0.17 1.69 1.17 0.00 0.00 0.00 175.76 179.11