#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sxz n THR 2 N 0.00 0.00 -4.22 0.00 -2.24 -1.26 -4.54 114.28 102.03 1sxz n THR 2 Ca 0.00 -0.38 -0.20 0.00 -2.27 0.00 0.00 64.05 61.20 1sxz n THR 2 Cb 0.00 0.91 -0.12 0.00 -2.10 0.00 0.00 70.33 69.02 1sxz n THR 2 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1sxz s LYS 3 N -1.39 0.92 0.10 -0.78 1.02 -1.26 -0.39 119.74 117.95 1sxz s LYS 3 Ca 0.01 -1.00 -0.12 0.00 0.02 0.00 0.00 55.97 54.87 1sxz s LYS 3 Cb 0.02 -1.00 0.02 0.00 -0.52 0.00 0.00 37.83 36.35 1sxz s LYS 3 CO 0.10 0.23 0.29 0.00 -0.92 0.00 0.00 175.35 175.05 1sxz s ALA 4 N -1.22 -0.57 -0.03 5.17 0.00 -0.70 -2.06 121.76 122.35 1sxz s ALA 4 Ca 0.01 -0.32 -0.10 0.00 0.00 0.00 0.00 51.96 51.54 1sxz s ALA 4 Cb -0.10 0.56 0.02 0.00 0.00 0.00 0.00 23.12 23.60 1sxz s ALA 4 CO 0.03 -0.56 0.23 0.54 0.00 0.00 0.00 175.76 176.00 1sxz s VAL 5 N -3.74 0.05 -0.03 0.00 0.11 -0.49 -1.56 120.40 114.75 1sxz s VAL 5 Ca 0.03 -0.42 0.01 0.00 -2.93 0.00 0.00 61.98 58.67 1sxz s VAL 5 Cb 0.03 -0.48 0.02 0.00 -1.53 0.00 0.00 36.38 34.42 1sxz s VAL 5 CO -0.11 -0.23 -0.03 0.00 -3.33 0.00 0.00 175.10 171.40 1sxz s VAL 7 N 0.64 3.58 -0.12 0.00 1.01 -1.26 -0.87 120.40 123.38 1sxz s VAL 7 Ca -0.07 -0.85 -0.20 0.00 0.00 0.00 0.00 61.98 60.86 1sxz s VAL 7 Cb -0.11 -2.86 -0.04 0.00 0.00 0.00 0.00 36.38 33.38 1sxz s VAL 7 CO -0.00 0.09 0.56 -0.76 0.00 0.00 0.00 175.10 174.99 1sxz s LEU 8 N 1.43 4.25 -0.01 3.92 1.43 0.25 -3.86 118.68 126.09 1sxz s LEU 8 Ca 0.01 0.90 -0.08 0.00 -1.03 0.00 0.00 54.13 53.93 1sxz s LEU 8 Cb -0.17 -2.82 0.01 0.00 0.03 0.00 0.00 46.19 43.23 1sxz s LEU 8 CO 0.00 -0.09 0.17 -0.54 0.23 0.00 0.00 176.35 176.12 1sxz s LYS 9 N 0.96 0.47 0.00 1.70 1.02 -0.94 -2.06 119.74 120.89 1sxz s LYS 9 Ca 0.29 -0.27 0.00 0.00 0.02 0.00 0.00 55.97 56.01 1sxz s LYS 9 Cb -0.16 0.20 0.00 0.00 -0.52 0.00 0.00 37.83 37.35 1sxz s LYS 9 CO 0.12 -0.11 0.00 0.41 -0.92 0.00 0.00 175.35 174.85 1sxz n GLY 10 N 1.66 4.18 0.02 -3.33 0.00 -1.25 -1.00 105.19 105.46 1sxz n GLY 10 Ca -0.21 -1.38 0.14 0.00 0.00 0.00 0.00 46.02 44.56 1sxz n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sxz n ASP 11 N -1.18 0.12 0.00 1.61 8.00 -1.25 -4.85 116.55 119.00 1sxz n ASP 11 Ca 0.00 0.51 0.00 0.00 0.71 0.00 0.00 54.79 56.01 1sxz n ASP 11 Cb 0.00 -0.54 0.00 0.00 -0.02 0.00 0.00 41.12 40.56 1sxz n ASP 11 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sxz n GLY 12 N 1.43 4.12 0.00 0.44 0.00 -1.26 -5.03 105.19 104.89 1sxz n GLY 12 Ca 0.07 -1.89 0.13 0.00 0.00 0.00 0.00 46.02 44.33 1sxz n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1sxz n PRO 13 N 0.00 0.01 -2.15 1.61 -0.04 -1.26 -4.86 135.00 128.30 1sxz n PRO 13 Ca 0.00 0.01 -0.41 0.00 -0.04 0.00 0.00 63.50 63.06 1sxz n PRO 13 Cb 0.00 -1.51 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 1sxz n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1sxz s VAL 14 N -3.01 2.92 -0.07 0.52 1.01 -1.26 -4.29 120.40 116.23 1sxz s VAL 14 Ca 0.12 0.83 -0.31 0.00 0.00 0.00 0.00 61.98 62.63 1sxz s VAL 14 Cb 0.18 -3.53 0.08 0.00 0.00 0.00 0.00 36.38 33.11 1sxz s VAL 14 CO 0.62 0.16 0.73 0.00 0.00 0.00 0.00 175.10 176.61 1sxz s GLN 15 N -0.96 0.99 0.00 2.72 0.00 -1.04 -3.76 119.66 117.61 1sxz s GLN 15 Ca 0.53 0.23 0.00 0.00 -0.00 0.00 0.00 55.36 56.12 1sxz s GLN 15 Cb -0.39 0.46 0.00 0.00 0.00 0.00 0.00 33.01 33.09 1sxz s GLN 15 CO 0.45 -0.31 0.00 0.41 0.00 0.00 0.00 175.29 175.85 1sxz n GLY 16 N 0.86 0.58 3.00 2.60 0.00 -0.87 -0.58 105.19 110.77 1sxz n GLY 16 Ca -0.18 -0.74 -0.29 0.00 0.00 0.00 0.00 46.02 44.81 1sxz n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sxz s THR 17 N -2.00 1.46 -0.10 2.61 2.01 -1.07 0.84 115.64 119.39 1sxz s THR 17 Ca 0.00 -0.57 -0.01 0.00 0.31 0.00 0.00 61.69 61.43 1sxz s THR 17 Cb 0.00 -1.39 -0.03 0.00 0.01 0.00 0.00 72.50 71.10 1sxz s THR 17 CO 0.00 0.44 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.67 1sxz s ILE 18 N 1.50 3.64 -0.09 1.82 -1.09 -0.05 -2.74 121.20 124.18 1sxz s ILE 18 Ca 0.04 -0.48 0.01 0.00 -2.23 0.00 0.00 60.65 58.00 1sxz s ILE 18 Cb -0.13 -2.52 -0.02 0.00 -1.58 0.00 0.00 42.46 38.20 1sxz s ILE 18 CO -0.10 0.56 -0.12 -1.00 -1.23 0.00 0.00 174.94 173.05 1sxz s HIS 19 N -0.30 2.80 0.07 3.97 3.76 -0.16 -0.71 115.29 124.73 1sxz s HIS 19 Ca 0.04 -0.29 0.10 0.00 -0.15 0.00 0.00 55.06 54.76 1sxz s HIS 19 Cb -0.13 -1.73 -0.03 0.00 1.11 0.00 0.00 32.58 31.80 1sxz s HIS 19 CO 0.02 0.07 -0.27 -0.06 -0.85 0.00 0.00 174.74 173.66 1sxz s PHE 20 N -0.32 2.31 -0.13 1.40 0.40 -0.60 -0.63 117.98 120.40 1sxz s PHE 20 Ca 0.03 -0.40 -0.07 0.00 -0.60 0.00 0.00 56.93 55.89 1sxz s PHE 20 Cb -0.13 -1.34 0.05 0.00 0.51 0.00 0.00 43.02 42.12 1sxz s PHE 20 CO 0.02 0.20 0.31 -2.00 0.70 0.00 0.00 175.22 174.45 1sxz s GLU 21 N -1.52 0.28 -0.32 0.44 2.12 -0.82 -1.73 118.70 117.16 1sxz s GLU 21 Ca 0.12 0.65 -0.27 0.00 0.36 0.00 0.00 54.97 55.84 1sxz s GLU 21 Cb -0.10 -0.07 0.01 0.00 0.26 0.00 0.00 34.13 34.23 1sxz s GLU 21 CO 0.03 -0.17 0.96 0.00 -0.54 0.00 0.00 175.26 175.54 1sxz s ALA 22 N 1.41 3.50 -0.28 6.30 0.00 0.48 -0.13 121.76 133.04 1sxz s ALA 22 Ca -0.09 -0.23 0.03 0.00 0.00 0.00 0.00 51.96 51.67 1sxz s ALA 22 Cb -0.10 -3.53 0.07 0.00 0.00 0.00 0.00 23.12 19.56 1sxz s ALA 22 CO -0.10 -1.40 -0.04 0.15 0.00 0.00 0.00 175.76 174.36 1sxz s LYS 23 N 3.39 1.84 7.95 0.00 3.01 -0.78 -4.96 119.74 130.20 1sxz s LYS 23 Ca 0.40 -1.45 0.00 0.00 -1.01 0.00 0.00 55.97 53.92 1sxz s LYS 23 Cb -0.13 -2.90 0.00 0.00 -1.01 0.00 0.00 37.83 33.79 1sxz s LYS 23 CO 0.15 -0.71 0.00 0.41 0.51 0.00 0.00 175.35 175.71 1sxz n GLY 24 N 4.43 3.88 0.98 -3.33 0.00 -1.26 -1.52 105.19 108.37 1sxz n GLY 24 Ca -0.08 0.01 0.08 0.00 0.00 0.00 0.00 46.02 46.03 1sxz n GLY 24 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sxz n ASP 25 N 8.49 3.59 -4.71 1.61 8.00 -1.26 -4.95 116.55 127.32 1sxz n ASP 25 Ca 0.00 -2.22 -0.26 0.00 0.71 0.00 0.00 54.79 53.02 1sxz n ASP 25 Cb 0.00 -0.39 -0.08 0.00 -0.02 0.00 0.00 41.12 40.63 1sxz n ASP 25 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1sxz s THR 26 N -1.41 2.21 -0.08 -3.53 -4.23 -0.58 -4.53 115.64 103.50 1sxz s THR 26 Ca 0.36 -1.78 0.03 0.00 -1.18 0.00 0.00 61.69 59.11 1sxz s THR 26 Cb 0.21 -2.99 0.01 0.00 1.34 0.00 0.00 72.50 71.08 1sxz s THR 26 CO 0.20 0.00 -0.15 -0.69 -0.54 0.00 0.00 174.62 173.43 1sxz s VAL 27 N -2.63 1.41 -0.32 2.29 1.01 0.17 -1.86 120.40 120.47 1sxz s VAL 27 Ca 0.39 -0.63 -0.12 0.00 0.00 0.00 0.00 61.98 61.61 1sxz s VAL 27 Cb 0.05 -1.27 -0.03 0.00 0.00 0.00 0.00 36.38 35.14 1sxz s VAL 27 CO 0.21 0.42 0.23 -0.69 0.00 0.00 0.00 175.10 175.27 1sxz s VAL 28 N 0.66 5.29 -0.24 2.92 1.01 0.82 -0.87 120.40 129.99 1sxz s VAL 28 Ca -0.14 -0.08 -0.10 0.00 0.00 0.00 0.00 61.98 61.66 1sxz s VAL 28 Cb -0.16 -3.67 -0.05 0.00 0.00 0.00 0.00 36.38 32.50 1sxz s VAL 28 CO 0.04 0.06 0.15 -0.69 0.00 0.00 0.00 175.10 174.66 1sxz s VAL 29 N 1.75 5.25 0.28 2.92 1.01 0.89 -1.94 120.40 130.56 1sxz s VAL 29 Ca 0.07 0.14 0.05 0.00 0.00 0.00 0.00 61.98 62.24 1sxz s VAL 29 Cb -0.17 -3.45 -0.02 0.00 0.00 0.00 0.00 36.38 32.74 1sxz s VAL 29 CO 0.11 0.34 0.18 0.35 0.00 0.00 0.00 175.10 176.08 1sxz n THR 30 N 4.35 0.00 0.00 3.92 -2.24 0.20 -0.79 114.28 119.71 1sxz n THR 30 Ca -0.15 -1.90 0.00 0.00 -2.27 0.00 0.00 64.05 59.73 1sxz n THR 30 Cb 0.52 0.84 0.00 0.00 -2.10 0.00 0.00 70.33 69.59 1sxz n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sxz n GLY 31 N -0.37 0.59 3.10 3.38 0.00 -1.05 -0.98 105.19 109.86 1sxz n GLY 31 Ca 0.02 -2.27 -0.10 0.00 0.00 0.00 0.00 46.02 43.68 1sxz n GLY 31 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sxz s SER 32 N -2.10 0.76 0.00 1.61 1.04 -1.11 0.01 113.70 113.92 1sxz s SER 32 Ca 0.00 -0.85 0.05 0.00 0.48 0.00 0.00 55.95 55.63 1sxz s SER 32 Cb 0.00 0.12 -0.01 0.00 0.10 0.00 0.00 66.02 66.22 1sxz s SER 32 CO 0.00 -0.43 -0.14 -0.63 0.98 0.00 0.00 173.24 173.01 1sxz s ILE 33 N -2.99 1.13 0.33 -1.02 1.01 0.10 -2.61 121.20 117.17 1sxz s ILE 33 Ca 0.02 -0.70 0.03 0.00 0.00 0.00 0.00 60.65 60.01 1sxz s ILE 33 Cb 0.01 -0.96 -0.05 0.00 0.01 0.00 0.00 42.46 41.47 1sxz s ILE 33 CO -0.05 0.25 0.09 0.42 0.00 0.00 0.00 174.94 175.65 1sxz s THR 34 N -0.45 0.85 -0.14 2.92 -4.23 0.25 -0.39 115.64 114.45 1sxz s THR 34 Ca 0.05 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.56 1sxz s THR 34 Cb -0.06 -2.62 0.00 0.00 1.34 0.00 0.00 72.50 71.16 1sxz s THR 34 CO -0.00 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 1sxz n GLY 35 N -0.70 0.50 3.87 3.99 0.00 -1.11 -2.48 105.19 109.26 1sxz n GLY 35 Ca -0.03 -0.29 -0.33 0.00 0.00 0.00 0.00 46.02 45.37 1sxz n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sxz s LEU 36 N -0.29 4.24 0.17 0.99 1.43 -0.51 -4.34 118.68 120.37 1sxz s LEU 36 Ca 0.00 0.91 -0.30 0.00 -1.03 0.00 0.00 54.13 53.71 1sxz s LEU 36 Cb 0.00 -3.47 -0.08 0.00 0.03 0.00 0.00 46.19 42.67 1sxz s LEU 36 CO 0.00 0.01 1.26 0.42 0.23 0.00 0.00 176.35 178.27 1sxz s THR 37 N -1.67 3.43 0.46 5.49 -4.23 -1.26 -3.59 115.64 114.27 1sxz s THR 37 Ca 0.43 1.16 -0.21 0.00 -1.18 0.00 0.00 61.69 61.89 1sxz s THR 37 Cb -0.12 -3.74 -0.12 0.00 1.34 0.00 0.00 72.50 69.85 1sxz s THR 37 CO 0.21 0.16 0.47 1.21 -0.54 0.00 0.00 174.62 176.13 1sxz n GLU 38 N 2.80 0.50 0.00 3.99 2.13 -1.22 -4.41 120.64 124.41 1sxz n GLU 38 Ca 0.06 0.18 0.00 0.00 0.66 0.00 0.00 57.16 58.06 1sxz n GLU 38 Cb 0.44 -1.49 0.00 0.00 0.27 0.00 0.00 31.44 30.66 1sxz n GLU 38 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1sxz n GLY 39 N 1.86 0.05 3.75 8.31 0.00 0.26 -4.81 105.19 114.60 1sxz n GLY 39 Ca 0.11 -2.29 -0.39 0.00 0.00 0.00 0.00 46.02 43.45 1sxz n GLY 39 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sxz s ASP 40 N -3.17 7.09 -0.05 1.61 1.11 -1.26 0.22 116.67 122.22 1sxz s ASP 40 Ca 0.00 1.31 0.02 0.00 0.18 0.00 0.00 52.55 54.06 1sxz s ASP 40 Cb 0.00 -2.42 0.02 0.00 1.07 0.00 0.00 42.92 41.58 1sxz s ASP 40 CO 0.00 0.02 -0.09 -1.00 1.18 0.00 0.00 175.17 175.28 1sxz s HIS 41 N 0.05 1.17 0.25 4.23 3.76 0.24 -2.06 115.29 122.93 1sxz s HIS 41 Ca 0.36 -0.40 -0.31 0.00 -0.15 0.00 0.00 55.06 54.56 1sxz s HIS 41 Cb -0.19 -0.90 -0.13 0.00 1.11 0.00 0.00 32.58 32.47 1sxz s HIS 41 CO 0.20 -0.23 1.54 0.41 -0.85 0.00 0.00 174.74 175.81 1sxz n GLY 42 N 3.85 1.14 2.77 -2.22 0.00 -0.39 0.29 105.19 110.63 1sxz n GLY 42 Ca -0.24 0.51 -0.30 0.00 0.00 0.00 0.00 46.02 46.00 1sxz n GLY 42 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1sxz s PHE 43 N 0.19 1.83 0.11 1.61 5.36 -0.06 0.75 117.98 127.76 1sxz s PHE 43 Ca 0.68 -1.73 0.04 0.00 -0.96 0.00 0.00 56.93 54.96 1sxz s PHE 43 Cb -0.57 -1.71 -0.04 0.00 -0.34 0.00 0.00 43.02 40.36 1sxz s PHE 43 CO 0.46 -0.84 -0.09 -1.01 -1.46 0.00 0.00 175.22 172.27 1sxz s HIS 44 N 1.58 1.08 -0.36 10.12 3.76 -0.78 -2.55 115.29 128.14 1sxz s HIS 44 Ca 0.07 -0.72 -0.17 0.00 -0.15 0.00 0.00 55.06 54.09 1sxz s HIS 44 Cb -0.17 -0.58 -0.00 0.00 1.11 0.00 0.00 32.58 32.93 1sxz s HIS 44 CO -0.21 -0.01 0.47 0.08 -0.85 0.00 0.00 174.74 174.23 1sxz s VAL 45 N -2.85 5.05 0.41 -0.90 1.01 -0.48 -0.75 120.40 121.89 1sxz s VAL 45 Ca 0.09 0.18 -0.10 0.00 0.00 0.00 0.00 61.98 62.16 1sxz s VAL 45 Cb -0.00 -3.95 -0.06 0.00 0.00 0.00 0.00 36.38 32.37 1sxz s VAL 45 CO -0.01 -0.22 0.76 -1.00 0.00 0.00 0.00 175.10 174.63 1sxz s HIS 46 N 2.29 3.48 0.13 5.22 3.76 -0.02 -0.65 115.29 129.50 1sxz s HIS 46 Ca 0.16 1.00 -0.18 0.00 -0.15 0.00 0.00 55.06 55.89 1sxz s HIS 46 Cb -0.16 -2.41 -0.04 0.00 1.11 0.00 0.00 32.58 31.08 1sxz s HIS 46 CO 0.13 -0.11 1.74 0.37 -0.85 0.00 0.00 174.74 176.02 1sxz h GLN 47 N 1.16 0.40 -6.00 1.40 4.15 -0.60 -3.16 115.11 112.46 1sxz h GLN 47 Ca -0.47 -0.04 -0.64 0.00 0.77 0.00 0.00 58.65 58.26 1sxz h GLN 47 Cb 1.19 -0.08 -0.08 0.00 0.21 0.00 0.00 27.48 28.72 1sxz h GLN 47 CO 0.64 0.33 -0.56 -0.06 -1.93 0.00 0.00 178.83 177.25 1sxz s PHE 48 N -5.93 3.34 -0.66 3.99 0.08 -0.04 -4.72 117.98 114.03 1sxz s PHE 48 Ca -0.13 0.21 -0.02 0.00 0.12 0.00 0.00 56.93 57.11 1sxz s PHE 48 Cb 0.09 -1.73 0.33 0.00 -0.57 0.00 0.00 43.02 41.14 1sxz s PHE 48 CO 0.71 0.57 2.13 0.41 -0.10 0.00 0.00 175.22 178.94 1sxz n GLY 49 N 0.88 5.33 3.39 4.36 0.00 -0.95 -3.58 105.19 114.62 1sxz n GLY 49 Ca -0.11 -2.16 -0.42 0.00 0.00 0.00 0.00 46.02 43.33 1sxz n GLY 49 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1sxz s ASP 50 N -1.02 5.94 -0.13 1.61 -1.08 -1.26 -4.93 116.67 115.79 1sxz s ASP 50 Ca 0.55 -1.10 0.15 0.00 -0.52 0.00 0.00 52.55 51.64 1sxz s ASP 50 Cb 0.43 -2.10 0.52 0.00 -1.46 0.00 0.00 42.92 40.32 1sxz s ASP 50 CO -0.18 -0.48 1.43 -3.20 0.52 0.00 0.00 175.17 173.26 1sxz n ASN 51 N 5.09 3.90 0.29 -0.34 5.15 -1.26 -3.24 115.26 124.85 1sxz n ASN 51 Ca -0.11 -2.70 0.17 0.00 -0.60 0.00 0.00 54.58 51.33 1sxz n ASN 51 Cb 0.45 -0.48 0.85 0.00 -0.53 0.00 0.00 39.78 40.07 1sxz n ASN 51 CO 0.00 0.00 0.00 0.71 1.40 0.00 0.00 177.26 179.37 1sxz h THR 52 N 2.28 0.21 -1.17 -0.44 1.35 -1.93 -2.75 112.91 110.46 1sxz h THR 52 Ca 0.00 -0.39 -0.51 0.00 -0.55 0.00 0.00 66.41 64.95 1sxz h THR 52 Cb 1.32 1.32 -0.42 0.00 -1.73 0.00 0.00 68.15 68.64 1sxz h THR 52 CO 0.19 0.05 -0.87 0.00 -0.25 0.00 0.00 175.52 174.64 1sxz n GLN 53 N -3.28 2.91 0.00 4.72 6.02 -1.26 -5.05 117.38 121.43 1sxz n GLN 53 Ca -0.01 -4.12 0.00 0.00 -0.01 0.00 0.00 57.00 52.85 1sxz n GLN 53 Cb 0.22 -2.02 0.00 0.00 1.02 0.00 0.00 30.24 29.46 1sxz n GLN 53 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1sxz n GLY 54 N -0.46 1.44 0.05 1.08 0.00 -1.04 -3.11 105.19 103.15 1sxz n GLY 54 Ca 0.32 -0.68 0.12 0.00 0.00 0.00 0.00 46.02 45.79 1sxz n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sxz h THR 56 N 0.00 0.86 0.00 0.00 2.02 -1.88 -2.50 112.91 111.41 1sxz h THR 56 Ca 0.00 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.06 1sxz h THR 56 Cb 0.64 0.47 0.00 0.00 -1.74 0.00 0.00 68.15 67.52 1sxz h THR 56 CO 0.00 0.07 0.00 -1.54 0.37 0.00 0.00 175.52 174.42 1sxz n SER 57 N -4.99 0.00 0.01 4.18 3.41 -1.24 -3.30 113.62 111.69 1sxz n SER 57 Ca 0.04 -1.24 0.09 0.00 -0.26 0.00 0.00 58.87 57.50 1sxz n SER 57 Cb 0.18 0.00 0.38 0.00 -0.26 0.00 0.00 64.21 64.51 1sxz n SER 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sxz n ALA 58 N -0.85 1.81 -0.30 7.33 0.00 -0.94 -4.38 120.51 123.17 1sxz n ALA 58 Ca 0.16 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1sxz n ALA 58 Cb 0.07 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.23 1sxz n ALA 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sxz n GLY 59 N 0.33 -1.11 3.87 0.00 0.00 -1.21 -0.86 105.19 106.20 1sxz n GLY 59 Ca 0.04 -1.21 -0.28 0.00 0.00 0.00 0.00 46.02 44.57 1sxz n GLY 59 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1sxz n PRO 60 N -0.21 -0.99 -2.08 1.61 -0.04 -1.26 -4.63 135.00 127.40 1sxz n PRO 60 Ca 0.00 -2.23 -0.36 0.00 -0.04 0.00 0.00 63.50 60.86 1sxz n PRO 60 Cb 0.00 -1.18 0.02 0.00 -0.04 0.00 0.00 33.50 32.30 1sxz n PRO 60 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1sxz s HIS 61 N -3.69 2.52 -0.16 0.54 3.76 -1.26 -0.55 115.29 116.45 1sxz s HIS 61 Ca 0.73 1.51 -0.29 0.00 -0.15 0.00 0.00 55.06 56.86 1sxz s HIS 61 Cb -0.02 -3.46 -0.05 0.00 1.11 0.00 0.00 32.58 30.16 1sxz s HIS 61 CO 0.51 -2.03 1.91 0.12 -0.85 0.00 0.00 174.74 174.39 1sxz s PHE 62 N -1.59 1.58 -0.40 1.40 5.36 0.18 -4.42 117.98 120.09 1sxz s PHE 62 Ca 0.73 0.28 0.07 0.00 -0.96 0.00 0.00 56.93 57.06 1sxz s PHE 62 Cb -0.30 -4.04 0.24 0.00 -0.34 0.00 0.00 43.02 38.58 1sxz s PHE 62 CO 0.33 -4.00 0.51 -1.71 -1.46 0.00 0.00 175.22 168.90 1sxz n ASN 63 N 9.31 -0.01 0.03 6.13 5.15 -1.26 -0.58 115.26 134.03 1sxz n ASN 63 Ca 0.23 -2.67 0.04 0.00 -0.60 0.00 0.00 54.58 51.58 1sxz n ASN 63 Cb 0.44 -0.55 0.44 0.00 -0.53 0.00 0.00 39.78 39.59 1sxz n ASN 63 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1sxz h PRO 64 N 4.19 0.48 -0.14 1.20 0.13 -1.96 -2.73 132.00 133.18 1sxz h PRO 64 Ca 0.09 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 1sxz h PRO 64 Cb 0.89 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.91 1sxz h PRO 64 CO 0.44 0.32 0.00 1.28 -0.23 0.00 0.00 178.00 179.82 1sxz n LEU 65 N -4.48 1.28 -3.83 1.56 4.77 -1.26 -4.94 117.00 110.10 1sxz n LEU 65 Ca 0.02 -0.55 -0.28 0.00 -0.03 0.00 0.00 56.01 55.17 1sxz n LEU 65 Cb 0.06 -0.09 0.04 0.00 -2.33 0.00 0.00 43.42 41.10 1sxz n LEU 65 CO 0.35 0.27 0.13 -1.20 -1.33 0.00 0.00 177.39 175.61 1sxz n SER 66 N 0.08 -4.91 -4.57 -1.43 7.64 -1.03 -4.99 113.62 104.41 1sxz n SER 66 Ca 0.15 -0.73 -0.24 0.00 1.01 0.00 0.00 58.87 59.05 1sxz n SER 66 Cb 0.26 -4.15 0.13 0.00 -1.01 0.00 0.00 64.21 59.43 1sxz n SER 66 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1sxz s LYS 67 N -6.51 1.45 0.31 1.43 1.02 -1.26 -5.10 119.74 111.08 1sxz s LYS 67 Ca 0.60 -1.11 0.01 0.00 0.02 0.00 0.00 55.97 55.50 1sxz s LYS 67 Cb -0.29 -2.27 -0.03 0.00 -0.52 0.00 0.00 37.83 34.72 1sxz s LYS 67 CO 0.81 -1.64 0.50 0.15 -0.92 0.00 0.00 175.35 174.24 1sxz s LYS 68 N -5.26 3.48 0.19 1.68 1.02 -1.26 -4.73 119.74 114.85 1sxz s LYS 68 Ca 0.68 -0.42 -0.32 0.00 0.02 0.00 0.00 55.97 55.93 1sxz s LYS 68 Cb -0.04 -2.72 -0.11 0.00 -0.52 0.00 0.00 37.83 34.43 1sxz s LYS 68 CO 0.46 0.23 1.65 -1.58 -0.92 0.00 0.00 175.35 175.19 1sxz s HIS 69 N -2.21 2.97 0.00 3.18 5.65 0.10 -2.83 115.29 122.15 1sxz s HIS 69 Ca 0.39 0.47 0.00 0.00 0.25 0.00 0.00 55.06 56.17 1sxz s HIS 69 Cb -0.10 -4.04 0.00 0.00 -1.18 0.00 0.00 32.58 27.26 1sxz s HIS 69 CO 0.34 -3.91 0.00 0.41 -0.65 0.00 0.00 174.74 170.93 1sxz n GLY 70 N 3.88 4.83 3.83 1.59 0.00 -1.25 -4.18 105.19 113.89 1sxz n GLY 70 Ca 0.15 -1.53 -0.23 0.00 0.00 0.00 0.00 46.02 44.41 1sxz n GLY 70 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sxz s GLY 71 N -0.36 2.25 0.26 -0.02 0.00 -1.25 -4.65 107.32 103.54 1sxz s GLY 71 Ca 0.00 -1.91 -0.01 0.00 0.00 0.00 0.00 44.72 42.80 1sxz s GLY 71 CO 0.00 -1.81 1.79 -0.56 0.00 0.00 0.00 173.10 172.52 1sxz h PRO 72 N 1.15 0.74 -0.00 2.90 0.13 -1.87 -2.43 132.00 132.62 1sxz h PRO 72 Ca -0.41 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1sxz h PRO 72 Cb 1.26 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1sxz h PRO 72 CO 0.62 0.49 -0.03 1.63 -0.23 0.00 0.00 178.00 180.48 1sxz n LYS 73 N -4.77 0.26 -1.55 0.86 4.01 -1.26 -4.85 118.16 110.85 1sxz n LYS 73 Ca 0.17 -0.02 -0.30 0.00 -0.51 0.00 0.00 58.31 57.64 1sxz n LYS 73 Cb 0.37 -1.50 0.08 0.00 -0.51 0.00 0.00 35.03 33.47 1sxz n LYS 73 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1sxz s ASP 74 N -2.76 4.82 -0.15 4.39 1.01 -0.92 -4.98 116.67 118.08 1sxz s ASP 74 Ca 0.22 1.44 0.11 0.00 0.71 0.00 0.00 52.55 55.02 1sxz s ASP 74 Cb 0.20 -2.22 -0.23 0.00 1.01 0.00 0.00 42.92 41.67 1sxz s ASP 74 CO 0.50 -1.78 0.24 -1.84 0.21 0.00 0.00 175.17 172.50 1sxz n GLU 75 N -3.32 0.67 -3.16 8.23 0.28 -1.26 -4.58 120.64 117.49 1sxz n GLU 75 Ca 0.07 0.14 -0.45 0.00 -0.16 0.00 0.00 57.16 56.76 1sxz n GLU 75 Cb 0.55 -1.63 -0.03 0.00 1.43 0.00 0.00 31.44 31.76 1sxz n GLU 75 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1sxz s GLU 76 N -2.54 3.31 0.16 3.44 2.56 -1.26 -4.94 118.70 119.43 1sxz s GLU 76 Ca -0.14 -1.78 -0.19 0.00 0.00 0.00 0.00 54.97 52.86 1sxz s GLU 76 Cb 0.07 -4.44 0.04 0.00 2.00 0.00 0.00 34.13 31.80 1sxz s GLU 76 CO 0.78 -1.49 0.51 -0.98 -0.56 0.00 0.00 175.26 173.52 1sxz s ARG 77 N 1.82 1.26 0.56 4.30 1.70 -1.13 -3.82 118.95 123.63 1sxz s ARG 77 Ca 0.16 -0.71 -0.16 0.00 -0.47 0.00 0.00 55.73 54.56 1sxz s ARG 77 Cb -0.17 0.52 -0.06 0.00 -0.57 0.00 0.00 34.95 34.68 1sxz s ARG 77 CO -0.02 -0.53 1.02 -1.01 -1.08 0.00 0.00 175.30 173.69 1sxz s HIS 78 N -3.82 3.26 0.40 5.89 3.76 -1.16 -4.58 115.29 119.03 1sxz s HIS 78 Ca 0.05 1.47 0.07 0.00 -0.15 0.00 0.00 55.06 56.50 1sxz s HIS 78 Cb -0.00 -2.88 0.82 0.00 1.11 0.00 0.00 32.58 31.63 1sxz s HIS 78 CO -0.08 -0.73 2.04 0.28 -0.85 0.00 0.00 174.74 175.40 1sxz h VAL 79 N 0.59 1.12 0.00 -0.90 2.07 -1.68 -2.44 116.25 115.01 1sxz h VAL 79 Ca -0.47 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 66.79 1sxz h VAL 79 Cb 1.20 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 1sxz h VAL 79 CO 0.60 0.12 0.00 0.61 0.02 0.00 0.00 177.57 178.92 1sxz n GLY 80 N -1.41 -1.07 3.55 2.17 0.00 0.26 -4.48 105.19 104.22 1sxz n GLY 80 Ca 0.03 -0.08 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 1sxz n GLY 80 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sxz s ASP 81 N -2.79 5.70 -0.15 1.61 1.01 -0.92 -1.38 116.67 119.74 1sxz s ASP 81 Ca 0.14 -0.32 0.16 0.00 0.71 0.00 0.00 52.55 53.23 1sxz s ASP 81 Cb 0.13 -2.55 0.56 0.00 1.01 0.00 0.00 42.92 42.08 1sxz s ASP 81 CO 0.33 -2.15 1.47 0.18 0.21 0.00 0.00 175.17 175.22 1sxz n LEU 82 N 11.36 4.14 0.00 1.23 4.77 -1.06 -3.69 117.00 133.75 1sxz n LEU 82 Ca 0.20 -2.78 0.00 0.00 -0.03 0.00 0.00 56.01 53.40 1sxz n LEU 82 Cb 0.50 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1sxz n LEU 82 CO 0.68 0.69 0.00 0.61 -1.33 0.00 0.00 177.39 178.05 1sxz n GLY 83 N 0.02 3.16 3.19 -0.72 0.00 -1.22 -4.78 105.19 104.83 1sxz n GLY 83 Ca 0.21 -0.18 -0.18 0.00 0.00 0.00 0.00 46.02 45.88 1sxz n GLY 83 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1sxz s ASN 84 N -4.00 1.70 0.23 1.61 0.01 -1.26 -0.89 114.94 112.34 1sxz s ASN 84 Ca 0.00 -0.69 0.10 0.00 -0.71 0.00 0.00 52.86 51.56 1sxz s ASN 84 Cb 0.00 -0.04 -0.04 0.00 0.41 0.00 0.00 41.25 41.57 1sxz s ASN 84 CO 0.00 -0.12 -0.09 0.68 -1.51 0.00 0.00 177.10 176.06 1sxz s VAL 85 N -1.66 3.13 -0.20 1.60 -7.23 0.14 -4.87 120.40 111.32 1sxz s VAL 85 Ca 0.02 -1.89 0.01 0.00 -1.81 0.00 0.00 61.98 58.31 1sxz s VAL 85 Cb -0.08 -2.61 0.03 0.00 0.56 0.00 0.00 36.38 34.29 1sxz s VAL 85 CO 0.02 -0.25 -0.16 -0.89 -0.31 0.00 0.00 175.10 173.51 1sxz s THR 86 N -2.05 1.95 0.07 5.32 2.01 -1.26 0.80 115.64 122.49 1sxz s THR 86 Ca 0.28 -1.07 -0.27 0.00 0.31 0.00 0.00 61.69 60.94 1sxz s THR 86 Cb -0.07 -1.88 -0.06 0.00 0.01 0.00 0.00 72.50 70.50 1sxz s THR 86 CO 0.17 0.34 0.83 0.00 -0.69 0.00 0.00 174.62 175.27 1sxz s ALA 87 N 1.29 3.33 1.01 7.40 0.00 0.59 -4.11 121.76 131.27 1sxz s ALA 87 Ca 0.01 0.38 -0.04 0.00 0.00 0.00 0.00 51.96 52.31 1sxz s ALA 87 Cb -0.15 -3.09 0.05 0.00 0.00 0.00 0.00 23.12 19.94 1sxz s ALA 87 CO -0.10 0.04 0.28 -0.40 0.00 0.00 0.00 175.76 175.58 1sxz n ASP 88 N 2.75 -0.28 -0.21 0.00 5.68 -0.22 0.90 116.55 125.16 1sxz n ASP 88 Ca -0.01 -0.99 0.01 0.00 -0.50 0.00 0.00 54.79 53.30 1sxz n ASP 88 Cb 0.50 -0.22 0.26 0.00 -1.14 0.00 0.00 41.12 40.52 1sxz n ASP 88 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1sxz h LYS 89 N 0.00 0.95 0.00 0.11 5.09 -1.94 -2.14 116.57 118.64 1sxz h LYS 89 Ca -0.09 -0.06 0.00 0.00 0.09 0.00 0.00 60.65 60.59 1sxz h LYS 89 Cb 0.26 -0.21 0.00 0.00 0.10 0.00 0.00 32.23 32.38 1sxz h LYS 89 CO 0.06 0.63 0.00 0.09 -2.09 0.00 0.00 179.45 178.14 1sxz n ASN 90 N -4.43 0.23 0.00 7.07 3.02 -1.26 -4.64 115.26 115.25 1sxz n ASN 90 Ca 0.09 0.54 0.00 0.00 -0.03 0.00 0.00 54.58 55.18 1sxz n ASN 90 Cb 0.06 -0.60 0.00 0.00 -0.61 0.00 0.00 39.78 38.63 1sxz n ASN 90 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sxz n GLY 91 N 0.55 0.82 3.65 7.41 0.00 -0.81 -4.72 105.19 112.10 1sxz n GLY 91 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 1sxz n GLY 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sxz s VAL 92 N -2.10 5.26 -0.21 1.61 1.01 -1.26 -1.42 120.40 123.29 1sxz s VAL 92 Ca 0.00 0.45 -0.04 0.00 0.00 0.00 0.00 61.98 62.39 1sxz s VAL 92 Cb 0.00 -3.62 -0.01 0.00 0.00 0.00 0.00 36.38 32.74 1sxz s VAL 92 CO 0.00 0.27 -0.03 0.00 0.00 0.00 0.00 175.10 175.34 1sxz s ALA 93 N 1.36 2.87 -0.26 5.51 0.00 0.47 -1.06 121.76 130.66 1sxz s ALA 93 Ca 0.13 -1.12 -0.13 0.00 0.00 0.00 0.00 51.96 50.85 1sxz s ALA 93 Cb -0.14 -1.73 -0.04 0.00 0.00 0.00 0.00 23.12 21.21 1sxz s ALA 93 CO 0.07 -0.35 0.27 0.42 0.00 0.00 0.00 175.76 176.17 1sxz s ILE 94 N 1.35 5.26 -0.15 0.00 -1.09 -1.26 0.03 121.20 125.34 1sxz s ILE 94 Ca 0.04 0.37 -0.16 0.00 -2.23 0.00 0.00 60.65 58.66 1sxz s ILE 94 Cb -0.14 -3.60 -0.04 0.00 -1.58 0.00 0.00 42.46 37.09 1sxz s ILE 94 CO -0.01 0.24 0.41 -0.69 -1.23 0.00 0.00 174.94 173.66 1sxz s VAL 95 N 1.68 5.22 -0.38 2.92 1.01 0.10 -4.78 120.40 126.17 1sxz s VAL 95 Ca 0.11 0.79 0.06 0.00 0.00 0.00 0.00 61.98 62.94 1sxz s VAL 95 Cb -0.15 -3.75 0.17 0.00 0.00 0.00 0.00 36.38 32.65 1sxz s VAL 95 CO 0.09 0.32 0.55 -0.62 0.00 0.00 0.00 175.10 175.43 1sxz s ASP 96 N 0.70 -0.72 0.07 3.32 -1.08 -1.23 -2.54 116.67 115.18 1sxz s ASP 96 Ca 0.22 -0.85 0.07 0.00 -0.52 0.00 0.00 52.55 51.47 1sxz s ASP 96 Cb -0.14 1.56 -0.03 0.00 -1.46 0.00 0.00 42.92 42.84 1sxz s ASP 96 CO 0.08 -0.22 -0.19 -0.63 0.52 0.00 0.00 175.17 174.73 1sxz s ILE 97 N 1.90 1.57 -0.20 4.11 1.01 0.03 -5.00 121.20 124.62 1sxz s ILE 97 Ca 0.15 -1.32 0.01 0.00 0.00 0.00 0.00 60.65 59.48 1sxz s ILE 97 Cb -0.08 -1.41 0.04 0.00 0.01 0.00 0.00 42.46 41.03 1sxz s ILE 97 CO -0.10 0.04 -0.09 -0.69 0.00 0.00 0.00 174.94 174.09 1sxz s VAL 98 N -0.99 1.60 -0.03 2.92 1.01 -1.26 -0.08 120.40 123.57 1sxz s VAL 98 Ca 0.06 -1.01 0.05 0.00 0.00 0.00 0.00 61.98 61.08 1sxz s VAL 98 Cb -0.09 -1.70 -0.01 0.00 0.00 0.00 0.00 36.38 34.57 1sxz s VAL 98 CO 0.03 0.14 -0.19 -0.62 0.00 0.00 0.00 175.10 174.45 1sxz s ASP 99 N 1.41 2.37 0.00 3.32 2.15 -0.05 -4.93 116.67 120.94 1sxz s ASP 99 Ca -0.02 -0.38 0.22 0.00 0.43 0.00 0.00 52.55 52.81 1sxz s ASP 99 Cb -0.16 -0.49 0.02 0.00 -0.30 0.00 0.00 42.92 41.98 1sxz s ASP 99 CO -0.08 0.21 1.08 -0.81 -0.17 0.00 0.00 175.17 175.40 1sxz n PRO 100 N 2.88 0.31 -0.09 4.34 -0.04 -1.26 0.44 135.00 141.58 1sxz n PRO 100 Ca -0.17 -0.24 -0.22 0.00 -0.04 0.00 0.00 63.50 62.83 1sxz n PRO 100 Cb 0.53 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.37 1sxz n PRO 100 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1sxz n LEU 101 N -1.14 2.48 -4.77 1.53 0.00 -1.26 -4.79 117.00 109.05 1sxz n LEU 101 Ca 0.06 0.16 -0.34 0.00 0.00 0.00 0.00 56.01 55.88 1sxz n LEU 101 Cb 0.36 -0.96 0.03 0.00 0.00 0.00 0.00 43.42 42.84 1sxz n LEU 101 CO 0.37 0.73 0.77 0.27 0.00 0.00 0.00 177.39 179.53 1sxz s ILE 102 N -2.50 3.14 0.04 1.96 -4.36 -1.26 -4.89 121.20 113.33 1sxz s ILE 102 Ca -0.31 0.63 -0.03 0.00 -0.26 0.00 0.00 60.65 60.67 1sxz s ILE 102 Cb 0.09 -3.19 -0.02 0.00 1.25 0.00 0.00 42.46 40.59 1sxz s ILE 102 CO 0.62 -0.24 0.04 -0.55 0.24 0.00 0.00 174.94 175.06 1sxz s SER 103 N -2.11 0.26 0.00 4.36 0.15 -1.01 -4.48 113.70 110.87 1sxz s SER 103 Ca 0.71 -0.62 0.24 0.00 0.70 0.00 0.00 55.95 56.98 1sxz s SER 103 Cb -0.23 0.19 0.50 0.00 -1.71 0.00 0.00 66.02 64.77 1sxz s SER 103 CO 0.34 -0.48 1.43 0.18 1.20 0.00 0.00 173.24 175.92 1sxz n LEU 104 N 0.83 2.61 -3.60 3.45 4.77 -1.26 -0.36 117.00 123.44 1sxz n LEU 104 Ca -0.19 -0.96 -0.11 0.00 -0.03 0.00 0.00 56.01 54.72 1sxz n LEU 104 Cb 0.58 -0.07 -0.04 0.00 -2.33 0.00 0.00 43.42 41.56 1sxz n LEU 104 CO 0.23 0.48 0.20 -0.94 -1.33 0.00 0.00 177.39 176.04 1sxz s SER 105 N -1.83 -0.29 0.00 -1.43 1.04 -1.26 -4.63 113.70 105.30 1sxz s SER 105 Ca 0.33 -0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.49 1sxz s SER 105 Cb 0.21 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.82 1sxz s SER 105 CO 0.31 -0.88 0.00 0.61 0.98 0.00 0.00 173.24 174.25 1sxz n GLY 106 N -0.26 -1.58 0.32 7.32 0.00 -1.26 -3.79 105.19 105.94 1sxz n GLY 106 Ca -0.16 -1.38 -0.05 0.00 0.00 0.00 0.00 46.02 44.43 1sxz n GLY 106 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1sxz h GLU 107 N 0.00 1.11 -0.83 1.61 4.39 -2.00 -2.17 114.58 116.68 1sxz h GLU 107 Ca 0.00 -0.16 -0.11 0.00 0.34 0.00 0.00 59.36 59.43 1sxz h GLU 107 Cb 0.00 -0.20 -0.07 0.00 -0.10 0.00 0.00 28.75 28.38 1sxz h GLU 107 CO 0.00 0.85 0.15 0.66 -1.16 0.00 0.00 179.01 179.51 1sxz n TYR 108 N -4.39 1.54 -1.95 4.33 4.01 -1.26 -4.92 117.16 114.52 1sxz n TYR 108 Ca 0.07 -0.77 -0.42 0.00 -0.16 0.00 0.00 57.90 56.62 1sxz n TYR 108 Cb 0.13 -0.48 -0.02 0.00 -0.31 0.00 0.00 39.34 38.65 1sxz n TYR 108 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1sxz s SER 109 N -0.47 6.59 0.00 7.72 0.15 -0.82 -2.41 113.70 124.45 1sxz s SER 109 Ca 0.35 2.68 0.24 0.00 0.70 0.00 0.00 55.95 59.92 1sxz s SER 109 Cb 0.28 -2.61 0.31 0.00 -1.71 0.00 0.00 66.02 62.28 1sxz s SER 109 CO 0.09 -0.78 1.33 2.30 1.20 0.00 0.00 173.24 177.38 1sxz n ILE 110 N 2.99 0.22 -1.84 6.45 -5.35 0.51 -4.92 119.36 117.42 1sxz n ILE 110 Ca 0.10 -0.60 -0.42 0.00 -0.27 0.00 0.00 62.75 61.56 1sxz n ILE 110 Cb 0.39 1.26 -0.02 0.00 -1.74 0.00 0.00 39.64 39.53 1sxz n ILE 110 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1sxz s ILE 111 N -1.78 2.24 0.00 7.28 -1.09 -1.26 -1.51 121.20 125.08 1sxz s ILE 111 Ca 0.33 0.20 0.00 0.00 -2.23 0.00 0.00 60.65 58.94 1sxz s ILE 111 Cb 0.21 -3.13 0.00 0.00 -1.58 0.00 0.00 42.46 37.97 1sxz s ILE 111 CO 0.31 0.03 0.00 0.61 -1.23 0.00 0.00 174.94 174.66 1sxz n GLY 112 N 2.43 0.79 3.93 6.18 0.00 0.84 -4.99 105.19 114.37 1sxz n GLY 112 Ca 0.09 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.90 1sxz n GLY 112 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sxz s ARG 113 N -0.28 2.47 -0.16 1.61 0.52 -0.57 -2.24 118.95 120.31 1sxz s ARG 113 Ca 0.00 -1.62 -0.05 0.00 -0.52 0.00 0.00 55.73 53.54 1sxz s ARG 113 Cb 0.00 -2.42 -0.03 0.00 0.52 0.00 0.00 34.95 33.01 1sxz s ARG 113 CO 0.00 -0.42 0.01 0.99 0.02 0.00 0.00 175.30 175.90 1sxz s THR 114 N -2.56 4.33 -0.09 0.02 2.01 -1.19 0.17 115.64 118.33 1sxz s THR 114 Ca 0.49 -0.20 -0.20 0.00 0.31 0.00 0.00 61.69 62.08 1sxz s THR 114 Cb -0.04 -2.92 -0.04 0.00 0.01 0.00 0.00 72.50 69.51 1sxz s THR 114 CO 0.29 0.49 0.55 -0.32 -0.69 0.00 0.00 174.62 174.95 1sxz s MET 115 N 0.25 4.36 -0.04 4.92 1.75 -0.21 -0.84 119.30 129.49 1sxz s MET 115 Ca 0.00 0.61 0.05 0.00 -1.25 0.00 0.00 55.69 55.10 1sxz s MET 115 Cb -0.13 -3.43 -0.00 0.00 2.84 0.00 0.00 34.83 34.11 1sxz s MET 115 CO 0.02 0.15 -0.18 0.08 -0.65 0.00 0.00 175.02 174.44 1sxz s VAL 116 N 0.59 1.50 -0.18 10.11 1.01 0.07 -2.16 120.40 131.35 1sxz s VAL 116 Ca 0.30 -0.76 -0.03 0.00 0.00 0.00 0.00 61.98 61.48 1sxz s VAL 116 Cb -0.16 -1.29 -0.02 0.00 0.00 0.00 0.00 36.38 34.91 1sxz s VAL 116 CO 0.13 0.43 -0.05 0.54 0.00 0.00 0.00 175.10 176.16 1sxz s VAL 117 N -0.01 3.60 0.38 2.92 0.11 -0.91 -1.86 120.40 124.64 1sxz s VAL 117 Ca -0.03 -0.44 0.02 0.00 -2.93 0.00 0.00 61.98 58.59 1sxz s VAL 117 Cb -0.12 -2.60 -0.02 0.00 -1.53 0.00 0.00 36.38 32.12 1sxz s VAL 117 CO 0.02 0.46 0.57 -1.00 -3.33 0.00 0.00 175.10 171.82 1sxz s HIS 118 N 0.83 3.31 0.07 1.54 3.76 0.23 -0.69 115.29 124.34 1sxz s HIS 118 Ca -0.01 0.17 -0.20 0.00 -0.15 0.00 0.00 55.06 54.86 1sxz s HIS 118 Cb -0.15 -2.06 -0.11 0.00 1.11 0.00 0.00 32.58 31.38 1sxz s HIS 118 CO 0.02 -0.07 1.55 1.49 -0.85 0.00 0.00 174.74 176.87 1sxz h GLU 119 N 0.67 0.28 -6.11 1.40 4.81 -0.75 -3.37 114.58 111.50 1sxz h GLU 119 Ca -0.48 -0.07 -0.52 0.00 -0.13 0.00 0.00 59.36 58.16 1sxz h GLU 119 Cb 1.24 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.55 1sxz h GLU 119 CO 0.58 0.44 -0.35 0.15 -0.73 0.00 0.00 179.01 179.10 1sxz s LYS 120 N -5.22 2.41 0.56 1.92 -0.14 0.05 -4.86 119.74 114.45 1sxz s LYS 120 Ca -0.14 -1.70 -0.18 0.00 -1.36 0.00 0.00 55.97 52.58 1sxz s LYS 120 Cb 0.06 -2.28 -0.05 0.00 -1.68 0.00 0.00 37.83 33.89 1sxz s LYS 120 CO 0.71 -0.33 1.10 -2.14 -0.76 0.00 0.00 175.35 173.93 1sxz s PRO 121 N -4.18 3.34 -0.17 -1.68 0.02 -0.88 -1.26 135.00 130.20 1sxz s PRO 121 Ca 0.45 1.49 -0.27 0.00 0.02 0.00 0.00 61.00 62.69 1sxz s PRO 121 Cb -0.02 -2.02 -0.01 0.00 0.02 0.00 0.00 34.50 32.47 1sxz s PRO 121 CO 0.26 -0.84 0.91 0.34 -0.33 0.00 0.00 177.00 177.35 1sxz s ASP 122 N -2.04 7.04 0.00 2.53 -1.08 -1.26 -3.87 116.67 117.99 1sxz s ASP 122 Ca 0.70 1.29 0.25 0.00 -0.52 0.00 0.00 52.55 54.27 1sxz s ASP 122 Cb -0.21 -2.49 1.51 0.00 -1.46 0.00 0.00 42.92 40.26 1sxz s ASP 122 CO 0.29 -0.47 1.87 -0.90 0.52 0.00 0.00 175.17 176.47 1sxz n ASP 123 N 5.46 0.00 -1.72 -0.34 5.68 0.17 -4.89 116.55 120.91 1sxz n ASP 123 Ca 0.07 -0.80 -0.19 0.00 -0.50 0.00 0.00 54.79 53.37 1sxz n ASP 123 Cb 0.48 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.41 1sxz n ASP 123 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1sxz n LEU 124 N -1.00 -1.56 -0.03 -2.12 4.77 -1.26 -2.25 117.00 113.55 1sxz n LEU 124 Ca 0.19 0.27 -0.00 0.00 -0.03 0.00 0.00 56.01 56.44 1sxz n LEU 124 Cb 0.09 -2.66 -0.00 0.00 -2.33 0.00 0.00 43.42 38.52 1sxz n LEU 124 CO 0.14 -0.67 -0.00 0.61 -1.33 0.00 0.00 177.39 176.14 1sxz n GLY 125 N -0.81 0.47 1.56 -0.72 0.00 -1.22 -3.88 105.19 100.60 1sxz n GLY 125 Ca -0.20 -0.30 -0.14 0.00 0.00 0.00 0.00 46.02 45.37 1sxz n GLY 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sxz n ARG 126 N -2.78 2.60 0.00 1.61 3.00 -0.95 -4.70 116.66 115.44 1sxz n ARG 126 Ca -0.00 -3.61 0.10 0.00 -0.01 0.00 0.00 57.85 54.33 1sxz n ARG 126 Cb 0.04 -2.03 -0.05 0.00 0.00 0.00 0.00 32.46 30.43 1sxz n ARG 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1sxz n GLY 127 N -0.94 -0.90 3.31 -0.13 0.00 -1.26 -5.01 105.19 100.27 1sxz n GLY 127 Ca 0.39 -0.57 -0.18 0.00 0.00 0.00 0.00 46.02 45.66 1sxz n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sxz n GLY 128 N 1.49 -0.34 3.55 -0.02 0.00 -1.26 -4.97 105.19 103.63 1sxz n GLY 128 Ca 0.05 0.10 -0.16 0.00 0.00 0.00 0.00 46.02 46.01 1sxz n GLY 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sxz s ASN 129 N -3.97 -0.59 0.20 1.61 2.20 -1.26 -5.05 114.94 108.08 1sxz s ASN 129 Ca 0.17 0.70 -0.09 0.00 -0.94 0.00 0.00 52.86 52.70 1sxz s ASN 129 Cb -0.07 0.56 0.11 0.00 -2.00 0.00 0.00 41.25 39.84 1sxz s ASN 129 CO 0.68 -0.50 1.70 -0.08 -2.94 0.00 0.00 177.10 175.95 1sxz h GLU 130 N 3.08 1.13 -1.01 3.55 4.81 -2.01 -2.36 114.58 121.77 1sxz h GLU 130 Ca -0.25 -0.29 0.25 0.00 -0.13 0.00 0.00 59.36 58.94 1sxz h GLU 130 Cb 1.15 -0.14 -0.13 0.00 0.63 0.00 0.00 28.75 30.26 1sxz h GLU 130 CO 0.34 1.01 0.60 1.49 -0.73 0.00 0.00 179.01 181.72 1sxz h GLU 131 N 1.06 0.54 -0.36 1.92 4.57 -1.99 0.74 114.58 121.06 1sxz h GLU 131 Ca 0.21 -0.03 0.02 0.00 -1.18 0.00 0.00 59.36 58.38 1sxz h GLU 131 Cb 0.41 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.86 1sxz h GLU 131 CO 0.01 0.35 0.24 1.03 -1.18 0.00 0.00 179.01 179.47 1sxz h SER 132 N 0.55 0.36 0.61 1.04 0.87 -1.78 -0.76 113.55 114.45 1sxz h SER 132 Ca 0.65 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 61.20 1sxz h SER 132 Cb 1.28 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 1sxz h SER 132 CO -0.48 0.25 -0.09 0.35 -0.53 0.00 0.00 176.83 176.33 1sxz n THR 133 N -4.48 0.00 -0.11 2.23 -2.24 0.26 -1.83 114.28 108.11 1sxz n THR 133 Ca 0.03 -0.02 -0.22 0.00 -2.27 0.00 0.00 64.05 61.57 1sxz n THR 133 Cb 0.12 -0.28 -0.07 0.00 -2.10 0.00 0.00 70.33 67.99 1sxz n THR 133 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1sxz n LYS 134 N -1.26 0.45 0.00 -0.78 5.02 -0.69 -0.72 118.16 120.18 1sxz n LYS 134 Ca 0.11 0.20 0.00 0.00 -2.02 0.00 0.00 58.31 56.60 1sxz n LYS 134 Cb 0.29 -1.25 0.00 0.00 -0.02 0.00 0.00 35.03 34.05 1sxz n LYS 134 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1sxz n THR 135 N -3.96 0.00 -1.02 -0.18 -2.24 -0.38 -4.53 114.28 101.97 1sxz n THR 135 Ca -0.41 -0.34 -0.01 0.00 -2.27 0.00 0.00 64.05 61.03 1sxz n THR 135 Cb 0.79 1.09 -0.00 0.00 -2.10 0.00 0.00 70.33 70.10 1sxz n THR 135 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sxz n GLY 136 N 0.49 0.48 3.25 3.38 0.00 -0.76 -3.60 105.19 108.42 1sxz n GLY 136 Ca 0.00 -0.61 -0.22 0.00 0.00 0.00 0.00 46.02 45.19 1sxz n GLY 136 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1sxz n ASN 137 N 1.03 -3.88 0.00 1.61 3.02 -1.26 0.42 115.26 116.20 1sxz n ASN 137 Ca -0.01 -0.32 0.13 0.00 -0.03 0.00 0.00 54.58 54.35 1sxz n ASN 137 Cb 0.04 -3.21 0.70 0.00 -0.61 0.00 0.00 39.78 36.70 1sxz n ASN 137 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sxz n ALA 138 N -3.39 2.37 -0.76 5.41 0.00 -1.24 -4.76 120.51 118.14 1sxz n ALA 138 Ca -0.03 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1sxz n ALA 138 Cb 0.55 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.57 1sxz n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sxz n GLY 139 N 0.88 0.57 3.47 0.00 0.00 -1.26 -0.77 105.19 108.08 1sxz n GLY 139 Ca 0.15 -0.80 -0.35 0.00 0.00 0.00 0.00 46.02 45.02 1sxz n GLY 139 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1sxz n SER 140 N -2.10 -1.24 -4.58 1.61 3.41 -1.26 -4.59 113.62 104.86 1sxz n SER 140 Ca 0.00 0.50 -0.39 0.00 -0.26 0.00 0.00 58.87 58.73 1sxz n SER 140 Cb 0.00 -1.25 -0.10 0.00 -0.26 0.00 0.00 64.21 62.60 1sxz n SER 140 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1sxz s ARG 141 N -3.20 3.85 -0.10 4.33 0.52 -1.26 -0.60 118.95 122.49 1sxz s ARG 141 Ca 0.63 -0.33 -0.20 0.00 -0.52 0.00 0.00 55.73 55.31 1sxz s ARG 141 Cb -0.30 -3.70 -0.28 0.00 0.52 0.00 0.00 34.95 31.20 1sxz s ARG 141 CO 0.60 -0.27 0.65 -0.07 0.02 0.00 0.00 175.30 176.24 1sxz h LEU 142 N 8.46 0.32 -7.73 2.53 3.38 -1.21 -3.48 115.31 117.58 1sxz h LEU 142 Ca -0.33 -0.87 -0.14 0.00 0.09 0.00 0.00 57.88 56.63 1sxz h LEU 142 Cb 1.18 -0.10 -0.20 0.00 0.09 0.00 0.00 40.66 41.62 1sxz h LEU 142 CO 0.59 1.46 -0.46 0.00 0.09 0.00 0.00 178.44 180.12 1sxz s ALA 143 N -2.42 -0.36 0.12 1.53 0.00 -1.23 -3.92 121.76 115.47 1sxz s ALA 143 Ca -0.19 -0.14 -0.20 0.00 0.00 0.00 0.00 51.96 51.44 1sxz s ALA 143 Cb 0.02 0.14 0.05 0.00 0.00 0.00 0.00 23.12 23.34 1sxz s ALA 143 CO 0.76 -0.24 0.49 0.00 0.00 0.00 0.00 175.76 176.77 1sxz s GLY 145 N -2.63 -0.34 0.12 0.00 0.00 -0.92 -2.21 107.32 101.35 1sxz s GLY 145 Ca 0.01 0.43 -0.28 0.00 0.00 0.00 0.00 44.72 44.88 1sxz s GLY 145 CO -0.10 0.15 0.86 0.14 0.00 0.00 0.00 173.10 174.15 1sxz s VAL 146 N -2.45 4.47 -0.31 1.40 1.01 -1.26 -1.05 120.40 122.22 1sxz s VAL 146 Ca -0.05 1.87 -0.28 0.00 0.00 0.00 0.00 61.98 63.51 1sxz s VAL 146 Cb -0.01 -4.22 0.01 0.00 0.00 0.00 0.00 36.38 32.16 1sxz s VAL 146 CO -0.02 0.40 1.04 -0.63 0.00 0.00 0.00 175.10 175.89 1sxz s ILE 147 N -0.44 4.56 0.33 2.22 1.01 0.13 -4.51 121.20 124.49 1sxz s ILE 147 Ca 0.41 1.70 0.09 0.00 0.00 0.00 0.00 60.65 62.85 1sxz s ILE 147 Cb -0.23 -4.37 -0.05 0.00 0.01 0.00 0.00 42.46 37.82 1sxz s ILE 147 CO 0.27 -0.42 0.08 -0.83 0.00 0.00 0.00 174.94 174.04 1sxz s GLY 148 N 1.60 1.94 0.15 6.18 0.00 -0.38 -0.11 107.32 116.70 1sxz s GLY 148 Ca 0.44 -1.85 -0.30 0.00 0.00 0.00 0.00 44.72 43.01 1sxz s GLY 148 CO 0.14 -1.80 1.24 -0.42 0.00 0.00 0.00 173.10 172.26 1sxz s ILE 149 N -2.44 3.61 0.29 0.90 1.01 -1.26 -1.39 121.20 121.91 1sxz s ILE 149 Ca 0.36 1.27 0.10 0.00 0.00 0.00 0.00 60.65 62.37 1sxz s ILE 149 Cb -0.02 -3.81 -0.04 0.00 0.01 0.00 0.00 42.46 38.59 1sxz s ILE 149 CO 0.21 0.16 -0.00 0.00 0.00 0.00 0.00 174.94 175.31 1sxz s ALA 150 N 0.40 3.17 -2.00 9.38 0.00 -0.88 -4.76 121.76 127.07 1sxz s ALA 150 Ca 0.56 -1.74 0.13 0.00 0.00 0.00 0.00 51.96 50.91 1sxz s ALA 150 Cb -0.33 -0.67 0.75 0.00 0.00 0.00 0.00 23.12 22.88 1sxz s ALA 150 CO 0.34 0.21 1.18 1.17 0.00 0.00 0.00 175.76 178.66