#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 -3.99 0.00 -2.24 -1.26 -4.67 114.28 102.12 1sxz n THR 2 Ca 0.00 -0.34 -0.13 0.00 -2.27 0.00 0.00 64.05 61.31 1sxz n THR 2 Cb 0.00 1.02 -0.14 0.00 -2.10 0.00 0.00 70.33 69.11 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 -1.62 0.19 0.14 -0.78 1.02 -1.26 -0.46 119.74 116.97 1sxz s LYS 3 Ca 0.04 -0.14 0.00 0.00 0.02 0.00 0.00 55.97 55.89 1sxz s LYS 3 Cb 0.06 -0.15 -0.04 0.00 -0.52 0.00 0.00 37.83 37.18 1sxz s LYS 3 CO 0.30 0.04 0.03 0.00 -0.92 0.00 0.00 175.35 174.80 1sxz s ALA 4 N -0.19 1.03 0.02 5.17 0.00 -0.21 -1.56 121.76 126.02 1sxz s ALA 4 Ca -0.01 -1.50 -0.14 0.00 0.00 0.00 0.00 51.96 50.31 1sxz s ALA 4 Cb -0.02 0.71 0.02 0.00 0.00 0.00 0.00 23.12 23.83 1sxz s ALA 4 CO -0.00 -0.42 0.30 0.54 0.00 0.00 0.00 175.76 176.18 1sxz s VAL 5 N -3.89 0.07 -0.07 0.00 0.11 0.18 -1.29 120.40 115.51 1sxz s VAL 5 Ca 0.23 -0.62 -0.04 0.00 -2.93 0.00 0.00 61.98 58.62 1sxz s VAL 5 Cb 0.07 -0.83 0.04 0.00 -1.53 0.00 0.00 36.38 34.13 1sxz s VAL 5 CO 0.02 -0.34 0.17 0.00 -3.33 0.00 0.00 175.10 171.62 1sxz s VAL 7 N 1.01 4.48 -0.08 0.00 1.01 -1.26 -0.96 120.40 124.60 1sxz s VAL 7 Ca -0.08 -0.44 -0.22 0.00 0.00 0.00 0.00 61.98 61.25 1sxz s VAL 7 Cb -0.10 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.97 1sxz s VAL 7 CO -0.05 0.09 0.63 -0.76 0.00 0.00 0.00 175.10 175.00 1sxz s LEU 8 N 1.60 4.30 0.02 3.92 1.43 0.22 -3.95 118.68 126.23 1sxz s LEU 8 Ca 0.04 1.06 0.00 0.00 -1.03 0.00 0.00 54.13 54.21 1sxz s LEU 8 Cb -0.17 -2.95 -0.02 0.00 0.03 0.00 0.00 46.19 43.08 1sxz s LEU 8 CO 0.05 -0.08 -0.03 -0.54 0.23 0.00 0.00 176.35 175.99 1sxz s LYS 9 N 0.73 0.30 0.00 1.70 1.02 -0.19 -2.26 119.74 121.05 1sxz s LYS 9 Ca 0.34 -0.59 0.00 0.00 0.02 0.00 0.00 55.97 55.73 1sxz s LYS 9 Cb -0.17 0.10 0.00 0.00 -0.52 0.00 0.00 37.83 37.24 1sxz s LYS 9 CO 0.15 -0.05 0.00 0.41 -0.92 0.00 0.00 175.35 174.95 1sxz n GLY 10 N 1.65 5.28 0.05 -3.33 0.00 -1.23 -1.44 105.19 106.16 1sxz n GLY 10 Ca -0.24 -1.42 0.12 0.00 0.00 0.00 0.00 46.02 44.48 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 0.00 0.65 0.00 1.61 8.00 -1.26 -4.91 116.55 120.65 1sxz n ASP 11 Ca 0.00 -0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.49 1sxz n ASP 11 Cb 0.00 0.36 0.00 0.00 -0.02 0.00 0.00 41.12 41.46 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 1.36 3.63 0.07 0.44 0.00 -1.26 -5.02 105.19 104.40 1sxz n GLY 12 Ca 0.03 -1.91 0.13 0.00 0.00 0.00 0.00 46.02 44.28 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 0.36 -2.27 1.61 -0.04 -1.26 -4.87 135.00 128.52 1sxz n PRO 13 Ca 0.00 -0.14 -0.42 0.00 -0.04 0.00 0.00 63.50 62.90 1sxz n PRO 13 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.94 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 -2.74 3.80 0.14 0.52 1.01 -1.26 -4.41 120.40 117.46 1sxz s VAL 14 Ca 0.20 1.19 -0.14 0.00 0.00 0.00 0.00 61.98 63.23 1sxz s VAL 14 Cb 0.19 -3.77 0.02 0.00 0.00 0.00 0.00 36.38 32.83 1sxz s VAL 14 CO 0.55 0.01 0.38 0.00 0.00 0.00 0.00 175.10 176.05 1sxz s GLN 15 N 2.17 1.12 0.00 2.72 -2.07 -0.93 -3.58 119.66 119.10 1sxz s GLN 15 Ca 0.62 -0.84 0.00 0.00 -1.82 0.00 0.00 55.36 53.32 1sxz s GLN 15 Cb -0.30 0.45 0.00 0.00 -1.09 0.00 0.00 33.01 32.07 1sxz s GLN 15 CO 0.26 -0.44 0.00 0.41 -1.32 0.00 0.00 175.29 174.20 1sxz n GLY 16 N -0.23 0.31 3.04 2.60 0.00 -0.96 -0.58 105.19 109.37 1sxz n GLY 16 Ca -0.13 -0.85 -0.27 0.00 0.00 0.00 0.00 46.02 44.76 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 1.36 -0.13 2.61 2.01 -0.98 0.71 115.64 119.21 1sxz s THR 17 Ca 0.00 -0.57 -0.00 0.00 0.31 0.00 0.00 61.69 61.43 1sxz s THR 17 Cb 0.00 -1.25 -0.01 0.00 0.01 0.00 0.00 72.50 71.24 1sxz s THR 17 CO 0.00 0.41 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.59 1sxz s ILE 18 N 0.93 3.07 -0.02 1.82 -1.09 -0.13 -2.67 121.20 123.12 1sxz s ILE 18 Ca -0.08 -0.65 0.01 0.00 -2.23 0.00 0.00 60.65 57.70 1sxz s ILE 18 Cb -0.15 -2.30 -0.03 0.00 -1.58 0.00 0.00 42.46 38.40 1sxz s ILE 18 CO -0.00 0.52 -0.02 -1.00 -1.23 0.00 0.00 174.94 173.21 1sxz s HIS 19 N 0.41 3.04 -0.05 3.97 3.76 0.58 -0.47 115.29 126.53 1sxz s HIS 19 Ca -0.10 0.07 0.04 0.00 -0.15 0.00 0.00 55.06 54.92 1sxz s HIS 19 Cb -0.16 -1.67 0.00 0.00 1.11 0.00 0.00 32.58 31.86 1sxz s HIS 19 CO 0.05 0.44 -0.16 -0.06 -0.85 0.00 0.00 174.74 174.16 1sxz s PHE 20 N -1.03 1.61 -0.02 1.40 0.40 -0.41 -0.57 117.98 119.37 1sxz s PHE 20 Ca 0.18 -0.49 0.02 0.00 -0.60 0.00 0.00 56.93 56.04 1sxz s PHE 20 Cb -0.11 -1.11 0.01 0.00 0.51 0.00 0.00 43.02 42.32 1sxz s PHE 20 CO 0.08 -0.18 -0.05 -2.00 0.70 0.00 0.00 175.22 173.76 1sxz s GLU 21 N 0.16 0.59 -0.43 0.44 2.12 0.43 -1.05 118.70 120.97 1sxz s GLU 21 Ca -0.06 -0.17 -0.28 0.00 0.36 0.00 0.00 54.97 54.83 1sxz s GLU 21 Cb -0.12 -0.59 0.02 0.00 0.26 0.00 0.00 34.13 33.70 1sxz s GLU 21 CO 0.02 0.05 1.04 0.00 -0.54 0.00 0.00 175.26 175.84 1sxz s ALA 22 N 0.24 3.28 -0.29 6.30 0.00 0.39 -0.82 121.76 130.86 1sxz s ALA 22 Ca -0.03 -0.47 0.02 0.00 0.00 0.00 0.00 51.96 51.49 1sxz s ALA 22 Cb -0.07 -3.73 0.08 0.00 0.00 0.00 0.00 23.12 19.40 1sxz s ALA 22 CO -0.00 -1.95 -0.01 0.15 0.00 0.00 0.00 175.76 173.95 1sxz s LYS 23 N 3.97 1.58 6.76 0.00 1.02 -0.70 -4.96 119.74 127.41 1sxz s LYS 23 Ca 0.43 -1.39 0.00 0.00 0.02 0.00 0.00 55.97 55.04 1sxz s LYS 23 Cb -0.10 -2.79 0.00 0.00 -0.52 0.00 0.00 37.83 34.43 1sxz s LYS 23 CO 0.25 -0.77 0.00 0.41 -0.92 0.00 0.00 175.35 174.33 1sxz n GLY 24 N 4.50 1.30 1.04 -3.33 0.00 -1.26 -2.06 105.19 105.38 1sxz n GLY 24 Ca -0.05 -0.54 0.11 0.00 0.00 0.00 0.00 46.02 45.54 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 7.22 3.23 -4.87 1.61 8.00 -1.26 -4.97 116.55 125.51 1sxz n ASP 25 Ca 0.00 -1.97 -0.29 0.00 0.71 0.00 0.00 54.79 53.25 1sxz n ASP 25 Cb 0.00 -0.16 -0.02 0.00 -0.02 0.00 0.00 41.12 40.92 1sxz n ASP 25 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1sxz s THR 26 N -1.59 1.41 -0.13 -3.53 -1.32 -0.87 -5.03 115.64 104.57 1sxz s THR 26 Ca 0.34 -1.65 0.00 0.00 -1.21 0.00 0.00 61.69 59.17 1sxz s THR 26 Cb 0.21 -2.06 0.02 0.00 -1.51 0.00 0.00 72.50 69.16 1sxz s THR 26 CO 0.30 0.00 -0.11 -0.69 -2.21 0.00 0.00 174.62 171.90 1sxz s VAL 27 N -2.83 1.31 -0.23 5.08 1.01 -1.23 -1.72 120.40 121.79 1sxz s VAL 27 Ca 0.23 -0.47 -0.10 0.00 0.00 0.00 0.00 61.98 61.64 1sxz s VAL 27 Cb -0.02 -1.26 -0.05 0.00 0.00 0.00 0.00 36.38 35.06 1sxz s VAL 27 CO 0.15 0.41 0.15 -0.69 0.00 0.00 0.00 175.10 175.12 1sxz s VAL 28 N 1.51 5.35 -0.23 2.92 1.01 -0.00 -1.87 120.40 129.09 1sxz s VAL 28 Ca 0.03 0.17 -0.05 0.00 0.00 0.00 0.00 61.98 62.13 1sxz s VAL 28 Cb -0.13 -3.48 -0.02 0.00 0.00 0.00 0.00 36.38 32.75 1sxz s VAL 28 CO -0.08 0.37 0.00 -0.69 0.00 0.00 0.00 175.10 174.70 1sxz s VAL 29 N 0.90 3.81 0.29 2.92 1.01 0.96 -0.43 120.40 129.86 1sxz s VAL 29 Ca 0.07 -0.35 0.02 0.00 0.00 0.00 0.00 61.98 61.73 1sxz s VAL 29 Cb -0.13 -2.75 -0.05 0.00 0.00 0.00 0.00 36.38 33.45 1sxz s VAL 29 CO 0.03 0.39 0.09 0.42 0.00 0.00 0.00 175.10 176.04 1sxz s THR 30 N 1.44 0.74 -5.00 3.92 -4.23 0.26 -1.29 115.64 111.48 1sxz s THR 30 Ca 0.05 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.56 1sxz s THR 30 Cb -0.15 -2.66 0.00 0.00 1.34 0.00 0.00 72.50 71.04 1sxz s THR 30 CO 0.00 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 1sxz n GLY 31 N -0.57 0.63 3.44 3.99 0.00 -1.01 -0.31 105.19 111.35 1sxz n GLY 31 Ca -0.01 -1.77 -0.16 0.00 0.00 0.00 0.00 46.02 44.08 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 -4.00 -0.52 -0.05 1.61 1.04 -1.09 -0.41 113.70 110.27 1sxz s SER 32 Ca 0.00 0.50 0.03 0.00 0.48 0.00 0.00 55.95 56.96 1sxz s SER 32 Cb 0.00 0.48 0.01 0.00 0.10 0.00 0.00 66.02 66.61 1sxz s SER 32 CO 0.00 -0.59 -0.13 -0.63 0.98 0.00 0.00 173.24 172.88 1sxz s ILE 33 N -1.40 1.12 0.32 -1.02 1.01 -0.08 -2.33 121.20 118.83 1sxz s ILE 33 Ca -0.11 -0.50 0.08 0.00 0.00 0.00 0.00 60.65 60.12 1sxz s ILE 33 Cb -0.01 -1.00 -0.06 0.00 0.01 0.00 0.00 42.46 41.39 1sxz s ILE 33 CO 0.07 0.34 -0.07 0.42 0.00 0.00 0.00 174.94 175.70 1sxz s THR 34 N 0.43 1.99 0.00 2.92 -4.23 0.25 -0.49 115.64 116.51 1sxz s THR 34 Ca -0.10 -2.16 0.00 0.00 -1.18 0.00 0.00 61.69 58.25 1sxz s THR 34 Cb -0.13 -2.59 0.00 0.00 1.34 0.00 0.00 72.50 71.11 1sxz s THR 34 CO 0.03 -0.22 0.00 0.61 -0.54 0.00 0.00 174.62 174.49 1sxz n GLY 35 N -0.72 0.64 3.96 3.99 0.00 -0.89 -2.19 105.19 109.98 1sxz n GLY 35 Ca -0.05 -0.27 -0.22 0.00 0.00 0.00 0.00 46.02 45.48 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 0.00 4.11 0.46 0.99 1.43 -0.80 -4.21 118.68 120.65 1sxz s LEU 36 Ca 0.00 0.14 -0.20 0.00 -1.03 0.00 0.00 54.13 53.04 1sxz s LEU 36 Cb 0.00 -2.99 -0.10 0.00 0.03 0.00 0.00 46.19 43.13 1sxz s LEU 36 CO 0.00 -0.26 0.98 0.42 0.23 0.00 0.00 176.35 177.72 1sxz s THR 37 N -2.16 4.23 0.55 5.49 -4.23 -1.26 -3.85 115.64 114.41 1sxz s THR 37 Ca 0.39 1.35 -0.20 0.00 -1.18 0.00 0.00 61.69 62.05 1sxz s THR 37 Cb -0.09 -3.57 -0.07 0.00 1.34 0.00 0.00 72.50 70.11 1sxz s THR 37 CO 0.32 -0.34 0.97 1.21 -0.54 0.00 0.00 174.62 176.24 1sxz n GLU 38 N -0.85 1.04 0.00 3.99 2.13 -1.26 -4.55 120.64 121.15 1sxz n GLU 38 Ca 0.08 0.39 0.00 0.00 0.66 0.00 0.00 57.16 58.29 1sxz n GLU 38 Cb 0.54 -2.13 0.00 0.00 0.27 0.00 0.00 31.44 30.11 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 1.26 -1.70 3.81 8.31 0.00 -0.45 -4.88 105.19 111.55 1sxz n GLY 39 Ca 0.12 -2.18 -0.34 0.00 0.00 0.00 0.00 46.02 43.62 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 -1.89 7.03 -0.03 1.61 1.01 -1.26 -0.75 116.67 122.38 1sxz s ASP 40 Ca 0.00 1.60 -0.01 0.00 0.71 0.00 0.00 52.55 54.85 1sxz s ASP 40 Cb 0.00 -2.50 0.03 0.00 1.01 0.00 0.00 42.92 41.47 1sxz s ASP 40 CO 0.00 -0.19 0.06 -1.00 0.21 0.00 0.00 175.17 174.25 1sxz s HIS 41 N -1.89 -0.02 0.55 4.23 3.76 -0.35 -2.87 115.29 118.69 1sxz s HIS 41 Ca 0.54 0.24 -0.21 0.00 -0.15 0.00 0.00 55.06 55.48 1sxz s HIS 41 Cb -0.13 -0.21 -0.06 0.00 1.11 0.00 0.00 32.58 33.29 1sxz s HIS 41 CO 0.18 -0.12 1.19 0.41 -0.85 0.00 0.00 174.74 175.55 1sxz n GLY 42 N 4.27 0.29 2.63 -2.22 0.00 -0.21 -1.02 105.19 108.93 1sxz n GLY 42 Ca -0.26 -0.01 -0.25 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.35 0.05 0.11 1.61 5.36 0.26 -0.65 117.98 123.37 1sxz s PHE 43 Ca 0.72 -0.48 0.03 0.00 -0.96 0.00 0.00 56.93 56.24 1sxz s PHE 43 Cb -0.44 -0.70 -0.04 0.00 -0.34 0.00 0.00 43.02 41.50 1sxz s PHE 43 CO 0.49 -0.76 -0.09 -1.01 -1.46 0.00 0.00 175.22 172.40 1sxz s HIS 44 N 2.19 1.03 -0.28 10.12 3.76 -0.68 -2.61 115.29 128.81 1sxz s HIS 44 Ca 0.08 -0.76 -0.16 0.00 -0.15 0.00 0.00 55.06 54.06 1sxz s HIS 44 Cb -0.16 -0.56 -0.03 0.00 1.11 0.00 0.00 32.58 32.94 1sxz s HIS 44 CO -0.28 -0.04 0.42 0.08 -0.85 0.00 0.00 174.74 174.07 1sxz s VAL 45 N -3.01 5.13 0.26 -0.90 1.01 0.39 -1.17 120.40 122.11 1sxz s VAL 45 Ca 0.09 0.56 -0.08 0.00 0.00 0.00 0.00 61.98 62.56 1sxz s VAL 45 Cb 0.01 -3.77 -0.06 0.00 0.00 0.00 0.00 36.38 32.56 1sxz s VAL 45 CO -0.02 0.07 0.56 -1.00 0.00 0.00 0.00 175.10 174.72 1sxz s HIS 46 N 2.16 3.45 0.16 5.22 3.76 0.86 -0.53 115.29 130.37 1sxz s HIS 46 Ca 0.16 0.79 -0.15 0.00 -0.15 0.00 0.00 55.06 55.72 1sxz s HIS 46 Cb -0.16 -2.21 0.05 0.00 1.11 0.00 0.00 32.58 31.37 1sxz s HIS 46 CO 0.10 0.22 1.82 0.37 -0.85 0.00 0.00 174.74 176.40 1sxz h GLN 47 N 2.18 0.58 -6.00 1.40 4.15 -0.74 -2.96 115.11 113.72 1sxz h GLN 47 Ca -0.47 -0.03 -0.65 0.00 0.77 0.00 0.00 58.65 58.27 1sxz h GLN 47 Cb 1.18 -0.13 -0.08 0.00 0.21 0.00 0.00 27.48 28.65 1sxz h GLN 47 CO 0.68 0.38 -0.56 -0.06 -1.93 0.00 0.00 178.83 177.34 1sxz s PHE 48 N -6.15 3.33 -0.77 3.99 0.08 0.29 -4.71 117.98 114.03 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 0.12 -1.73 0.36 0.00 -0.57 0.00 0.00 43.02 41.20 1sxz s PHE 48 CO 0.73 0.56 2.06 0.41 -0.10 0.00 0.00 175.22 178.89 1sxz n GLY 49 N 0.95 5.55 3.36 4.36 0.00 -1.07 -3.36 105.19 114.98 1sxz n GLY 49 Ca -0.11 -2.38 -0.44 0.00 0.00 0.00 0.00 46.02 43.08 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 -1.22 6.07 -0.27 1.61 -1.08 -1.26 -4.91 116.67 115.61 1sxz s ASP 50 Ca 0.56 -1.40 0.12 0.00 -0.52 0.00 0.00 52.55 51.31 1sxz s ASP 50 Cb 0.45 -2.16 0.71 0.00 -1.46 0.00 0.00 42.92 40.47 1sxz s ASP 50 CO -0.29 -0.65 1.70 -3.20 0.52 0.00 0.00 175.17 173.25 1sxz n ASN 51 N 5.16 4.70 0.23 -0.34 4.05 -1.26 -3.29 115.26 124.51 1sxz n ASN 51 Ca -0.12 -3.16 0.08 0.00 0.45 0.00 0.00 54.58 51.83 1sxz n ASN 51 Cb 0.43 -0.69 0.54 0.00 1.23 0.00 0.00 39.78 41.30 1sxz n ASN 51 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 177.26 174.92 1sxz h THR 52 N 2.69 0.88 -1.32 -0.44 1.35 -1.92 -2.45 112.91 111.71 1sxz h THR 52 Ca 0.15 -0.85 -0.55 0.00 -0.55 0.00 0.00 66.41 64.61 1sxz h THR 52 Cb 2.04 1.50 -0.42 0.00 -1.73 0.00 0.00 68.15 69.54 1sxz h THR 52 CO 0.56 0.22 -0.81 0.00 -0.25 0.00 0.00 175.52 175.24 1sxz n GLN 53 N -3.87 3.16 0.00 4.72 6.02 -1.26 -5.04 117.38 121.11 1sxz n GLN 53 Ca -0.02 -4.29 0.00 0.00 -0.01 0.00 0.00 57.00 52.68 1sxz n GLN 53 Cb 0.31 -2.13 0.00 0.00 1.02 0.00 0.00 30.24 29.45 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 -0.47 2.03 0.01 1.08 0.00 -0.92 -2.36 105.19 104.56 1sxz n GLY 54 Ca 0.36 -0.54 0.14 0.00 0.00 0.00 0.00 46.02 45.97 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 0.06 1.28 0.00 0.00 2.02 -1.80 -1.90 112.91 112.57 1sxz h THR 56 Ca 0.00 -1.35 0.00 0.00 0.77 0.00 0.00 66.41 65.83 1sxz h THR 56 Cb 0.46 1.51 0.00 0.00 -1.74 0.00 0.00 68.15 68.38 1sxz h THR 56 CO 0.00 0.41 0.00 -1.54 0.37 0.00 0.00 175.52 174.76 1sxz n SER 57 N -4.09 0.00 0.08 4.18 3.41 -1.23 -3.14 113.62 112.82 1sxz n SER 57 Ca -0.01 -0.94 0.11 0.00 -0.26 0.00 0.00 58.87 57.77 1sxz n SER 57 Cb 0.43 0.00 0.44 0.00 -0.26 0.00 0.00 64.21 64.82 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 -0.93 1.85 0.00 7.33 0.00 -0.71 -4.36 120.51 123.68 1sxz n ALA 58 Ca 0.17 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1sxz n ALA 58 Cb 0.08 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.16 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 0.40 -2.01 2.74 0.00 0.00 -1.19 -0.55 105.19 104.60 1sxz n GLY 59 Ca 0.04 -1.47 -0.21 0.00 0.00 0.00 0.00 46.02 44.37 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 0.00 -0.98 -2.17 1.61 -0.04 -1.26 -4.62 135.00 127.54 1sxz n PRO 60 Ca 0.00 -1.46 -0.37 0.00 -0.04 0.00 0.00 63.50 61.63 1sxz n PRO 60 Cb 0.00 -0.98 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 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 -3.06 2.75 -0.00 0.54 3.76 -1.26 -0.70 115.29 117.32 1sxz s HIS 61 Ca 0.54 1.51 -0.30 0.00 -0.15 0.00 0.00 55.06 56.66 1sxz s HIS 61 Cb -0.02 -3.44 -0.07 0.00 1.11 0.00 0.00 32.58 30.16 1sxz s HIS 61 CO 0.38 -1.76 1.71 0.12 -0.85 0.00 0.00 174.74 174.34 1sxz s PHE 62 N -1.53 1.99 -0.41 1.40 5.36 0.31 -4.46 117.98 120.64 1sxz s PHE 62 Ca 0.66 0.12 0.08 0.00 -0.96 0.00 0.00 56.93 56.83 1sxz s PHE 62 Cb -0.30 -3.99 0.26 0.00 -0.34 0.00 0.00 43.02 38.65 1sxz s PHE 62 CO 0.36 -4.16 0.64 -1.71 -1.46 0.00 0.00 175.22 168.89 1sxz n ASN 63 N 6.73 -0.40 0.30 6.13 5.15 -1.26 -1.63 115.26 130.28 1sxz n ASN 63 Ca 0.17 -2.88 0.19 0.00 -0.60 0.00 0.00 54.58 51.46 1sxz n ASN 63 Cb 0.42 -0.09 0.95 0.00 -0.53 0.00 0.00 39.78 40.52 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 3.84 0.00 -0.44 1.20 0.13 -1.94 -2.72 132.00 132.06 1sxz h PRO 64 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1sxz h PRO 64 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 1sxz h PRO 64 CO 0.43 0.03 0.00 1.28 -0.23 0.00 0.00 178.00 179.51 1sxz n LEU 65 N -3.26 2.95 -3.75 1.56 4.77 -1.26 -4.97 117.00 113.04 1sxz n LEU 65 Ca -0.02 -1.37 -0.26 0.00 -0.03 0.00 0.00 56.01 54.33 1sxz n LEU 65 Cb 0.17 -0.29 0.02 0.00 -2.33 0.00 0.00 43.42 41.00 1sxz n LEU 65 CO 0.25 0.69 -0.12 -1.20 -1.33 0.00 0.00 177.39 175.68 1sxz n SER 66 N 1.13 -2.79 -4.94 -1.43 7.64 -1.03 -5.00 113.62 107.20 1sxz n SER 66 Ca 0.19 -0.95 -0.23 0.00 1.01 0.00 0.00 58.87 58.88 1sxz n SER 66 Cb 0.50 -3.52 0.01 0.00 -1.01 0.00 0.00 64.21 60.19 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 -6.09 2.31 0.55 1.43 1.02 -1.26 -5.12 119.74 112.58 1sxz s LYS 67 Ca 0.21 -1.83 -0.02 0.00 0.02 0.00 0.00 55.97 54.34 1sxz s LYS 67 Cb -0.07 -2.32 0.02 0.00 -0.52 0.00 0.00 37.83 34.94 1sxz s LYS 67 CO 0.85 -0.65 0.82 0.15 -0.92 0.00 0.00 175.35 175.60 1sxz s LYS 68 N -4.39 2.79 0.41 1.68 1.02 -1.26 -4.74 119.74 115.24 1sxz s LYS 68 Ca 0.45 -0.36 -0.25 0.00 0.02 0.00 0.00 55.97 55.83 1sxz s LYS 68 Cb -0.04 -2.39 -0.08 0.00 -0.52 0.00 0.00 37.83 34.80 1sxz s LYS 68 CO 0.28 -0.64 1.23 -1.58 -0.92 0.00 0.00 175.35 173.72 1sxz s HIS 69 N -2.84 2.94 0.05 3.18 5.65 0.29 -3.22 115.29 121.34 1sxz s HIS 69 Ca 0.54 1.49 -0.01 0.00 0.25 0.00 0.00 55.06 57.32 1sxz s HIS 69 Cb -0.10 -3.53 0.00 0.00 -1.18 0.00 0.00 32.58 27.77 1sxz s HIS 69 CO 0.41 -1.70 0.09 0.41 -0.65 0.00 0.00 174.74 173.30 1sxz n GLY 70 N 0.66 2.51 3.94 1.59 0.00 -1.25 -4.17 105.19 108.47 1sxz n GLY 70 Ca 0.04 -1.26 -0.24 0.00 0.00 0.00 0.00 46.02 44.56 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 -1.31 1.60 0.57 -0.02 0.00 -1.21 -4.59 107.32 102.35 1sxz s GLY 71 Ca 0.03 -0.94 0.25 0.00 0.00 0.00 0.00 44.72 44.07 1sxz s GLY 71 CO 0.03 -0.72 2.21 -0.56 0.00 0.00 0.00 173.10 174.06 1sxz h PRO 72 N 0.16 0.00 -0.00 2.90 0.13 -1.88 -1.71 132.00 131.60 1sxz h PRO 72 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1sxz h PRO 72 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1sxz h PRO 72 CO 0.58 0.00 -0.33 1.63 -0.23 0.00 0.00 178.00 179.65 1sxz n LYS 73 N -4.09 0.01 -2.38 0.86 4.76 -1.26 -4.91 118.16 111.15 1sxz n LYS 73 Ca -0.03 -0.01 -0.32 0.00 -2.87 0.00 0.00 58.31 55.08 1sxz n LYS 73 Cb 0.10 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 31.76 1sxz n LYS 73 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1sxz s ASP 74 N -2.99 6.51 0.08 4.39 1.01 -0.64 -4.96 116.67 120.07 1sxz s ASP 74 Ca 0.12 1.63 -0.11 0.00 0.71 0.00 0.00 52.55 54.90 1sxz s ASP 74 Cb 0.18 -2.52 -0.22 0.00 1.01 0.00 0.00 42.92 41.37 1sxz s ASP 74 CO 0.64 -0.67 1.19 -0.08 0.21 0.00 0.00 175.17 176.46 1sxz h GLU 75 N 0.93 0.56 -4.85 8.23 4.57 -1.91 -3.39 114.58 118.73 1sxz h GLU 75 Ca -0.47 -0.68 -0.69 0.00 -1.18 0.00 0.00 59.36 56.34 1sxz h GLU 75 Cb 1.19 0.21 -0.19 0.00 -0.16 0.00 0.00 28.75 29.80 1sxz h GLU 75 CO 0.61 1.28 0.23 -2.00 -1.18 0.00 0.00 179.01 177.94 1sxz s GLU 76 N -3.13 3.08 0.20 1.92 2.56 -1.26 -4.95 118.70 117.12 1sxz s GLU 76 Ca -0.08 -1.24 -0.22 0.00 0.00 0.00 0.00 54.97 53.43 1sxz s GLU 76 Cb 0.07 -4.28 0.05 0.00 2.00 0.00 0.00 34.13 31.97 1sxz s GLU 76 CO 0.91 -1.61 0.64 -0.98 -0.56 0.00 0.00 175.26 173.66 1sxz s ARG 77 N 2.96 1.46 0.53 4.30 1.70 -1.20 -3.76 118.95 124.94 1sxz s ARG 77 Ca 0.14 -0.67 -0.12 0.00 -0.47 0.00 0.00 55.73 54.61 1sxz s ARG 77 Cb -0.22 0.59 -0.06 0.00 -0.57 0.00 0.00 34.95 34.70 1sxz s ARG 77 CO 0.06 -0.65 0.94 -1.01 -1.08 0.00 0.00 175.30 173.56 1sxz s HIS 78 N -3.82 3.53 0.39 5.89 3.76 -1.21 -4.63 115.29 119.20 1sxz s HIS 78 Ca 0.05 1.26 0.05 0.00 -0.15 0.00 0.00 55.06 56.27 1sxz s HIS 78 Cb -0.03 -2.65 0.77 0.00 1.11 0.00 0.00 32.58 31.78 1sxz s HIS 78 CO -0.05 -0.42 2.03 0.28 -0.85 0.00 0.00 174.74 175.72 1sxz h VAL 79 N 0.45 1.13 0.00 -0.90 2.07 -1.84 -2.29 116.25 114.87 1sxz h VAL 79 Ca -0.46 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 66.79 1sxz h VAL 79 Cb 1.19 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 1sxz h VAL 79 CO 0.62 0.13 0.00 0.61 0.02 0.00 0.00 177.57 178.95 1sxz n GLY 80 N -1.41 -0.95 3.47 2.17 0.00 -0.65 -4.53 105.19 103.29 1sxz n GLY 80 Ca 0.04 -0.11 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.59 6.24 -0.16 1.61 1.01 -0.86 -0.46 116.67 122.46 1sxz s ASP 81 Ca 0.26 -1.07 0.16 0.00 0.71 0.00 0.00 52.55 52.61 1sxz s ASP 81 Cb 0.12 -2.44 0.69 0.00 1.01 0.00 0.00 42.92 42.30 1sxz s ASP 81 CO 0.20 -1.45 1.61 0.18 0.21 0.00 0.00 175.17 175.92 1sxz n LEU 82 N 7.83 4.80 0.00 1.23 4.77 -1.07 -3.67 117.00 130.88 1sxz n LEU 82 Ca 0.02 -2.69 0.00 0.00 -0.03 0.00 0.00 56.01 53.31 1sxz n LEU 82 Cb 0.46 -0.58 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 1sxz n LEU 82 CO 0.63 0.72 0.00 0.61 -1.33 0.00 0.00 177.39 178.03 1sxz n GLY 83 N 0.60 1.02 3.47 -0.72 0.00 -1.23 -4.79 105.19 103.54 1sxz n GLY 83 Ca 0.25 -0.79 -0.29 0.00 0.00 0.00 0.00 46.02 45.18 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 3.77 0.21 1.61 0.01 -1.26 -0.57 114.94 114.70 1sxz s ASN 84 Ca 0.00 -0.58 0.07 0.00 -0.71 0.00 0.00 52.86 51.64 1sxz s ASN 84 Cb 0.00 -0.49 -0.04 0.00 0.41 0.00 0.00 41.25 41.13 1sxz s ASN 84 CO 0.00 0.19 0.09 0.68 -1.51 0.00 0.00 177.10 176.55 1sxz s VAL 85 N -1.10 4.09 -0.14 1.60 -7.23 -0.19 -4.88 120.40 112.55 1sxz s VAL 85 Ca 0.17 -1.40 0.02 0.00 -1.81 0.00 0.00 61.98 58.95 1sxz s VAL 85 Cb -0.10 -3.13 0.02 0.00 0.56 0.00 0.00 36.38 33.72 1sxz s VAL 85 CO 0.09 -0.22 -0.19 -0.89 -0.31 0.00 0.00 175.10 173.58 1sxz s THR 86 N -1.94 1.88 -0.03 5.32 2.01 -1.26 -1.22 115.64 120.39 1sxz s THR 86 Ca 0.31 -0.85 -0.20 0.00 0.31 0.00 0.00 61.69 61.25 1sxz s THR 86 Cb -0.09 -1.69 -0.05 0.00 0.01 0.00 0.00 72.50 70.68 1sxz s THR 86 CO 0.22 0.51 0.58 0.00 -0.69 0.00 0.00 174.62 175.24 1sxz s ALA 87 N 1.06 3.47 1.01 7.40 0.00 0.07 -4.23 121.76 130.55 1sxz s ALA 87 Ca -0.02 -0.00 -0.01 0.00 0.00 0.00 0.00 51.96 51.92 1sxz s ALA 87 Cb -0.14 -2.74 0.02 0.00 0.00 0.00 0.00 23.12 20.26 1sxz s ALA 87 CO -0.06 0.11 0.09 -0.40 0.00 0.00 0.00 175.76 175.50 1sxz n ASP 88 N 3.00 -0.80 0.20 0.00 5.68 0.58 -1.34 116.55 123.88 1sxz n ASP 88 Ca -0.06 -0.67 0.14 0.00 -0.50 0.00 0.00 54.79 53.69 1sxz n ASP 88 Cb 0.51 -0.07 0.61 0.00 -1.14 0.00 0.00 41.12 41.03 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 0.00 -0.36 0.11 2.10 -1.97 -1.34 116.57 115.12 1sxz h LYS 89 Ca -0.03 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 1sxz h LYS 89 Cb 0.09 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.42 1sxz h LYS 89 CO 0.02 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.56 1sxz n ASN 90 N -2.58 2.67 0.00 7.07 3.02 -1.26 -4.81 115.26 119.37 1sxz n ASN 90 Ca 0.01 -1.90 0.00 0.00 -0.03 0.00 0.00 54.58 52.66 1sxz n ASN 90 Cb 0.23 -0.23 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 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 1.33 0.44 3.59 7.41 0.00 -0.50 -4.64 105.19 112.82 1sxz n GLY 91 Ca 0.18 -0.89 -0.36 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.00 4.95 -0.15 1.61 1.01 -1.26 -1.91 120.40 122.64 1sxz s VAL 92 Ca 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 61.98 62.01 1sxz s VAL 92 Cb 0.00 -3.30 -0.01 0.00 0.00 0.00 0.00 36.38 33.07 1sxz s VAL 92 CO 0.00 0.35 -0.11 0.00 0.00 0.00 0.00 175.10 175.34 1sxz s ALA 93 N 1.15 2.67 -0.21 5.51 0.00 0.36 -0.30 121.76 130.93 1sxz s ALA 93 Ca 0.06 -0.97 -0.10 0.00 0.00 0.00 0.00 51.96 50.95 1sxz s ALA 93 Cb -0.14 -1.34 -0.05 0.00 0.00 0.00 0.00 23.12 21.59 1sxz s ALA 93 CO 0.05 0.05 0.13 0.42 0.00 0.00 0.00 175.76 176.41 1sxz s ILE 94 N 0.67 5.26 -0.21 0.00 -1.09 -1.26 -0.90 121.20 123.67 1sxz s ILE 94 Ca -0.06 0.14 -0.09 0.00 -2.23 0.00 0.00 60.65 58.41 1sxz s ILE 94 Cb -0.15 -3.42 -0.05 0.00 -1.58 0.00 0.00 42.46 37.26 1sxz s ILE 94 CO 0.02 0.40 0.12 -0.69 -1.23 0.00 0.00 174.94 173.57 1sxz s VAL 95 N 0.66 5.24 -0.35 2.92 1.01 0.45 -4.74 120.40 125.58 1sxz s VAL 95 Ca 0.07 0.13 0.04 0.00 0.00 0.00 0.00 61.98 62.22 1sxz s VAL 95 Cb -0.12 -3.40 0.17 0.00 0.00 0.00 0.00 36.38 33.03 1sxz s VAL 95 CO 0.01 0.42 0.47 -0.62 0.00 0.00 0.00 175.10 175.38 1sxz s ASP 96 N 0.53 0.04 -0.02 3.32 2.15 -1.24 -2.41 116.67 119.04 1sxz s ASP 96 Ca 0.07 -0.92 0.03 0.00 0.43 0.00 0.00 52.55 52.15 1sxz s ASP 96 Cb -0.12 1.19 0.00 0.00 -0.30 0.00 0.00 42.92 43.69 1sxz s ASP 96 CO -0.00 -0.26 -0.09 -0.63 -0.17 0.00 0.00 175.17 174.01 1sxz s ILE 97 N 1.94 0.78 -0.19 4.11 1.01 -0.41 -4.99 121.20 123.45 1sxz s ILE 97 Ca 0.14 -0.37 -0.03 0.00 0.00 0.00 0.00 60.65 60.39 1sxz s ILE 97 Cb -0.11 -0.69 -0.01 0.00 0.01 0.00 0.00 42.46 41.66 1sxz s ILE 97 CO -0.13 0.24 -0.06 -0.69 0.00 0.00 0.00 174.94 174.29 1sxz s VAL 98 N 0.09 3.35 -0.04 2.92 1.01 -1.26 -0.03 120.40 126.45 1sxz s VAL 98 Ca -0.01 -0.52 0.06 0.00 0.00 0.00 0.00 61.98 61.50 1sxz s VAL 98 Cb -0.07 -2.49 -0.01 0.00 0.00 0.00 0.00 36.38 33.81 1sxz s VAL 98 CO 0.00 0.46 -0.20 -0.62 0.00 0.00 0.00 175.10 174.73 1sxz s ASP 99 N 1.08 2.49 0.00 3.32 2.15 -0.78 -5.02 116.67 119.91 1sxz s ASP 99 Ca 0.01 -0.40 0.26 0.00 0.43 0.00 0.00 52.55 52.85 1sxz s ASP 99 Cb -0.15 -0.52 0.77 0.00 -0.30 0.00 0.00 42.92 42.72 1sxz s ASP 99 CO -0.01 0.22 1.60 -0.81 -0.17 0.00 0.00 175.17 176.00 1sxz n PRO 100 N 2.86 0.01 -0.10 4.34 -0.04 -1.26 -3.57 135.00 137.25 1sxz n PRO 100 Ca -0.17 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.18 1sxz n PRO 100 Cb 0.53 -1.51 -0.12 0.00 -0.04 0.00 0.00 33.50 32.36 1sxz n PRO 100 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1sxz n LEU 101 N -1.52 1.17 -4.82 1.53 4.77 -1.26 -4.99 117.00 111.89 1sxz n LEU 101 Ca 0.06 -0.05 -0.30 0.00 -0.03 0.00 0.00 56.01 55.69 1sxz n LEU 101 Cb 0.34 -0.05 0.07 0.00 -2.33 0.00 0.00 43.42 41.45 1sxz n LEU 101 CO 0.32 0.60 0.71 0.27 -1.33 0.00 0.00 177.39 177.97 1sxz s ILE 102 N -2.43 3.57 0.26 -0.08 -4.36 -1.26 -4.84 121.20 112.06 1sxz s ILE 102 Ca -0.17 0.51 -0.15 0.00 -0.26 0.00 0.00 60.65 60.58 1sxz s ILE 102 Cb 0.06 -3.27 0.00 0.00 1.25 0.00 0.00 42.46 40.50 1sxz s ILE 102 CO 0.63 -0.67 0.55 -0.55 0.24 0.00 0.00 174.94 175.15 1sxz s SER 103 N -3.88 -0.11 -0.01 4.36 0.15 -0.92 -4.70 113.70 108.58 1sxz s SER 103 Ca 0.59 -0.86 0.10 0.00 0.70 0.00 0.00 55.95 56.48 1sxz s SER 103 Cb -0.14 0.64 0.29 0.00 -1.71 0.00 0.00 66.02 65.09 1sxz s SER 103 CO 0.54 -1.22 1.24 0.18 1.20 0.00 0.00 173.24 175.19 1sxz n LEU 104 N -0.41 2.89 -3.54 3.45 4.77 -1.26 -1.43 117.00 121.46 1sxz n LEU 104 Ca -0.02 -2.05 -0.15 0.00 -0.03 0.00 0.00 56.01 53.76 1sxz n LEU 104 Cb 0.61 -0.23 -0.06 0.00 -2.33 0.00 0.00 43.42 41.42 1sxz n LEU 104 CO 0.21 0.71 0.56 -0.94 -1.33 0.00 0.00 177.39 176.60 1sxz s SER 105 N -1.05 -0.56 0.00 -1.43 1.04 -1.26 -4.32 113.70 106.12 1sxz s SER 105 Ca 0.22 0.63 0.00 0.00 0.48 0.00 0.00 55.95 57.28 1sxz s SER 105 Cb 0.12 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.73 1sxz s SER 105 CO 0.14 -0.50 0.00 0.61 0.98 0.00 0.00 173.24 174.47 1sxz n GLY 106 N 0.92 -1.82 0.38 7.32 0.00 -1.26 -4.12 105.19 106.61 1sxz n GLY 106 Ca -0.16 -1.63 0.16 0.00 0.00 0.00 0.00 46.02 44.39 1sxz n GLY 106 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1sxz h GLU 107 N 0.00 0.55 -0.62 1.61 4.81 -2.01 -0.88 114.58 118.05 1sxz h GLU 107 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1sxz h GLU 107 Cb 0.00 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.26 1sxz h GLU 107 CO 0.00 0.37 0.00 0.66 -0.73 0.00 0.00 179.01 179.31 1sxz n TYR 108 N -4.58 1.11 -1.79 0.92 4.01 -1.26 -4.96 117.16 110.61 1sxz n TYR 108 Ca 0.20 -0.46 -0.42 0.00 -0.16 0.00 0.00 57.90 57.06 1sxz n TYR 108 Cb 0.61 -0.16 -0.03 0.00 -0.31 0.00 0.00 39.34 39.45 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 -0.86 6.42 0.00 7.72 0.15 -0.34 -2.17 113.70 124.63 1sxz s SER 109 Ca 0.41 2.85 0.23 0.00 0.70 0.00 0.00 55.95 60.14 1sxz s SER 109 Cb 0.25 -2.61 0.47 0.00 -1.71 0.00 0.00 66.02 62.42 1sxz s SER 109 CO 0.22 -0.92 1.43 2.30 1.20 0.00 0.00 173.24 177.46 1sxz n ILE 110 N 3.36 0.51 -2.06 6.45 -5.35 -0.52 -4.90 119.36 116.85 1sxz n ILE 110 Ca 0.13 -0.72 -0.42 0.00 -0.27 0.00 0.00 62.75 61.47 1sxz n ILE 110 Cb 0.37 0.89 -0.03 0.00 -1.74 0.00 0.00 39.64 39.13 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 -1.49 2.87 0.00 7.28 -1.09 -1.26 -1.74 121.20 125.77 1sxz s ILE 111 Ca 0.39 0.69 0.00 0.00 -2.23 0.00 0.00 60.65 59.49 1sxz s ILE 111 Cb 0.22 -3.44 0.00 0.00 -1.58 0.00 0.00 42.46 37.67 1sxz s ILE 111 CO 0.31 0.09 0.00 0.61 -1.23 0.00 0.00 174.94 174.72 1sxz n GLY 112 N 2.76 0.77 2.74 6.18 0.00 0.16 -4.99 105.19 112.81 1sxz n GLY 112 Ca 0.09 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.93 1sxz n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sxz n ARG 113 N -2.37 0.88 -5.04 1.61 1.74 -0.71 -2.61 116.66 110.17 1sxz n ARG 113 Ca 0.00 -2.44 -0.32 0.00 -0.77 0.00 0.00 57.85 54.32 1sxz n ARG 113 Cb 0.00 0.20 -0.16 0.00 -1.02 0.00 0.00 32.46 31.49 1sxz n ARG 113 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1sxz s THR 114 N -1.90 2.52 -0.12 0.55 2.01 -1.12 -0.82 115.64 116.75 1sxz s THR 114 Ca 0.25 -0.87 -0.22 0.00 0.31 0.00 0.00 61.69 61.16 1sxz s THR 114 Cb -0.02 -1.99 -0.03 0.00 0.01 0.00 0.00 72.50 70.46 1sxz s THR 114 CO 0.16 0.55 0.65 -0.32 -0.69 0.00 0.00 174.62 174.98 1sxz s MET 115 N 0.13 4.34 -0.05 4.92 1.75 -0.58 -0.09 119.30 129.72 1sxz s MET 115 Ca -0.10 0.74 0.04 0.00 -1.25 0.00 0.00 55.69 55.13 1sxz s MET 115 Cb -0.16 -3.49 -0.00 0.00 2.84 0.00 0.00 34.83 34.02 1sxz s MET 115 CO 0.06 -0.04 -0.18 0.08 -0.65 0.00 0.00 175.02 174.28 1sxz s VAL 116 N 1.20 1.55 -0.19 10.11 1.01 -0.32 -2.16 120.40 131.61 1sxz s VAL 116 Ca 0.33 -0.77 -0.04 0.00 0.00 0.00 0.00 61.98 61.50 1sxz s VAL 116 Cb -0.17 -1.33 -0.02 0.00 0.00 0.00 0.00 36.38 34.86 1sxz s VAL 116 CO 0.14 0.44 -0.03 0.54 0.00 0.00 0.00 175.10 176.19 1sxz s VAL 117 N 0.09 3.74 0.37 2.92 0.11 -0.69 -1.69 120.40 125.25 1sxz s VAL 117 Ca -0.06 -0.39 0.03 0.00 -2.93 0.00 0.00 61.98 58.63 1sxz s VAL 117 Cb -0.13 -2.67 -0.01 0.00 -1.53 0.00 0.00 36.38 32.04 1sxz s VAL 117 CO 0.03 0.45 0.55 -1.00 -3.33 0.00 0.00 175.10 171.80 1sxz s HIS 118 N 0.86 3.23 0.16 1.54 3.76 0.18 -1.01 115.29 124.01 1sxz s HIS 118 Ca -0.00 0.04 -0.12 0.00 -0.15 0.00 0.00 55.06 54.82 1sxz s HIS 118 Cb -0.14 -2.07 0.05 0.00 1.11 0.00 0.00 32.58 31.53 1sxz s HIS 118 CO 0.02 -0.09 1.69 1.49 -0.85 0.00 0.00 174.74 176.99 1sxz h GLU 119 N 0.71 0.86 -5.72 1.40 4.81 -0.75 -3.37 114.58 112.53 1sxz h GLU 119 Ca -0.47 -0.19 -0.60 0.00 -0.13 0.00 0.00 59.36 57.97 1sxz h GLU 119 Cb 1.25 -0.12 -0.10 0.00 0.63 0.00 0.00 28.75 30.40 1sxz h GLU 119 CO 0.56 0.78 -0.51 0.15 -0.73 0.00 0.00 179.01 179.27 1sxz s LYS 120 N -5.41 2.15 0.49 1.92 -0.14 -0.16 -4.86 119.74 113.74 1sxz s LYS 120 Ca -0.13 -2.03 -0.22 0.00 -1.36 0.00 0.00 55.97 52.23 1sxz s LYS 120 Cb 0.12 -1.83 -0.06 0.00 -1.68 0.00 0.00 37.83 34.38 1sxz s LYS 120 CO 0.80 -0.20 1.23 -2.14 -0.76 0.00 0.00 175.35 174.28 1sxz s PRO 121 N -3.89 3.53 -0.13 -1.68 0.02 -1.14 -1.05 135.00 130.66 1sxz s PRO 121 Ca 0.32 1.93 -0.26 0.00 0.02 0.00 0.00 61.00 63.02 1sxz s PRO 121 Cb 0.04 -2.34 -0.02 0.00 0.02 0.00 0.00 34.50 32.20 1sxz s PRO 121 CO 0.18 -0.79 0.84 0.34 -0.33 0.00 0.00 177.00 177.25 1sxz s ASP 122 N -1.23 7.03 -0.01 2.53 -1.08 -1.26 -3.97 116.67 118.68 1sxz s ASP 122 Ca 0.67 1.26 0.05 0.00 -0.52 0.00 0.00 52.55 54.01 1sxz s ASP 122 Cb -0.33 -2.47 0.16 0.00 -1.46 0.00 0.00 42.92 38.83 1sxz s ASP 122 CO 0.39 -0.35 1.08 -0.90 0.52 0.00 0.00 175.17 175.91 1sxz n ASP 123 N 4.86 1.15 -2.67 -0.34 5.68 0.11 -4.89 116.55 120.44 1sxz n ASP 123 Ca 0.04 -2.04 -0.20 0.00 -0.50 0.00 0.00 54.79 52.09 1sxz n ASP 123 Cb 0.49 -0.19 0.01 0.00 -1.14 0.00 0.00 41.12 40.29 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 0.04 -2.00 0.00 -2.12 4.77 -1.26 -2.12 117.00 114.32 1sxz n LEU 124 Ca 0.06 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 1sxz n LEU 124 Cb 0.20 -2.75 0.00 0.00 -2.33 0.00 0.00 43.42 38.55 1sxz n LEU 124 CO 0.05 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.68 1sxz n GLY 125 N -1.15 0.47 0.95 -0.72 0.00 -1.25 -3.32 105.19 100.17 1sxz n GLY 125 Ca -0.17 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.48 3.04 0.23 1.61 1.74 -0.90 -4.61 116.66 115.30 1sxz n ARG 126 Ca 0.00 -2.85 0.13 0.00 -0.77 0.00 0.00 57.85 54.36 1sxz n ARG 126 Cb 0.06 -1.86 0.25 0.00 -1.02 0.00 0.00 32.46 29.88 1sxz n ARG 126 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1sxz h GLY 127 N 1.94 0.00 0.00 -0.13 0.00 -1.90 -3.47 103.07 99.51 1sxz h GLY 127 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1sxz h GLY 127 CO 0.23 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.38 1sxz n GLY 128 N 0.93 0.74 3.72 4.60 0.00 -1.26 -5.03 105.19 108.90 1sxz n GLY 128 Ca 0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.56 4.29 0.18 1.61 2.20 -1.26 -5.04 114.94 114.35 1sxz s ASN 129 Ca 0.00 -1.20 -0.11 0.00 -0.94 0.00 0.00 52.86 50.61 1sxz s ASN 129 Cb 0.00 -0.34 0.09 0.00 -2.00 0.00 0.00 41.25 39.00 1sxz s ASN 129 CO 0.00 -0.57 1.75 -0.08 -2.94 0.00 0.00 177.10 175.26 1sxz h GLU 130 N 1.47 0.92 -0.96 3.55 4.81 -2.01 -2.73 114.58 119.63 1sxz h GLU 130 Ca -0.43 -0.15 0.19 0.00 -0.13 0.00 0.00 59.36 58.85 1sxz h GLU 130 Cb 1.26 -0.16 -0.09 0.00 0.63 0.00 0.00 28.75 30.39 1sxz h GLU 130 CO 0.72 0.75 0.61 1.49 -0.73 0.00 0.00 179.01 181.86 1sxz h GLU 131 N 0.87 0.60 -0.89 1.92 4.57 -1.99 -1.17 114.58 118.48 1sxz h GLU 131 Ca 0.21 -0.04 0.08 0.00 -1.18 0.00 0.00 59.36 58.44 1sxz h GLU 131 Cb 0.15 -0.13 -0.07 0.00 -0.16 0.00 0.00 28.75 28.54 1sxz h GLU 131 CO -0.02 0.39 0.55 1.03 -1.18 0.00 0.00 179.01 179.78 1sxz h SER 132 N 0.61 0.84 0.38 1.04 0.87 -1.82 0.20 113.55 115.67 1sxz h SER 132 Ca 0.52 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 61.11 1sxz h SER 132 Cb 1.01 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.82 1sxz h SER 132 CO -0.28 0.51 0.00 0.35 -0.53 0.00 0.00 176.83 176.88 1sxz n THR 133 N -4.64 0.31 -0.05 2.23 -2.24 -0.45 -1.51 114.28 107.93 1sxz n THR 133 Ca 0.14 0.08 -0.11 0.00 -2.27 0.00 0.00 64.05 61.89 1sxz n THR 133 Cb 0.23 -0.72 -0.04 0.00 -2.10 0.00 0.00 70.33 67.70 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 -1.27 0.24 0.00 -0.78 5.02 -0.70 -0.55 118.16 120.12 1sxz n LYS 134 Ca 0.11 0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.49 1sxz n LYS 134 Cb 0.17 -0.96 0.00 0.00 -0.02 0.00 0.00 35.03 34.21 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 -3.34 0.00 -1.09 -0.18 -2.24 0.61 -4.68 114.28 103.36 1sxz n THR 135 Ca -0.21 -0.24 -0.03 0.00 -2.27 0.00 0.00 64.05 61.30 1sxz n THR 135 Cb 0.66 1.42 -0.01 0.00 -2.10 0.00 0.00 70.33 70.30 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 0.09 0.58 2.54 3.38 0.00 -0.57 -2.95 105.19 108.26 1sxz n GLY 136 Ca 0.00 -0.30 -0.20 0.00 0.00 0.00 0.00 46.02 45.52 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 0.14 -5.60 0.08 1.61 3.02 -1.26 0.08 115.26 113.34 1sxz n ASN 137 Ca -0.03 -0.04 0.13 0.00 -0.03 0.00 0.00 54.58 54.60 1sxz n ASN 137 Cb 0.20 -4.64 0.46 0.00 -0.61 0.00 0.00 39.78 35.19 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 -2.36 2.11 -0.07 5.41 0.00 -1.15 -4.72 120.51 119.72 1sxz n ALA 138 Ca -0.20 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1sxz n ALA 138 Cb 0.66 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.68 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 0.96 -0.29 3.80 0.00 0.00 -1.26 -0.99 105.19 107.42 1sxz n GLY 139 Ca 0.05 -1.08 -0.31 0.00 0.00 0.00 0.00 46.02 44.69 1sxz n GLY 139 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sxz s SER 140 N -4.00 4.91 -0.55 1.61 1.04 -1.26 -4.68 113.70 110.78 1sxz s SER 140 Ca 0.00 1.54 -0.21 0.00 0.48 0.00 0.00 55.95 57.76 1sxz s SER 140 Cb 0.00 -2.34 0.06 0.00 0.10 0.00 0.00 66.02 63.83 1sxz s SER 140 CO 0.00 -1.73 0.79 -0.13 0.98 0.00 0.00 173.24 173.15 1sxz s ARG 141 N -5.06 3.20 0.13 4.02 0.52 -1.26 -0.43 118.95 120.07 1sxz s ARG 141 Ca 0.59 -0.67 -0.11 0.00 -0.52 0.00 0.00 55.73 55.03 1sxz s ARG 141 Cb -0.15 -4.10 -0.08 0.00 0.52 0.00 0.00 34.95 31.14 1sxz s ARG 141 CO 0.55 -1.41 1.41 -0.07 0.02 0.00 0.00 175.30 175.81 1sxz h LEU 142 N 10.39 0.97 -7.11 2.53 3.38 -1.37 -3.47 115.31 120.63 1sxz h LEU 142 Ca -0.27 -0.52 -0.06 0.00 0.09 0.00 0.00 57.88 57.12 1sxz h LEU 142 Cb 1.08 -0.28 -0.17 0.00 0.09 0.00 0.00 40.66 41.38 1sxz h LEU 142 CO 1.04 1.32 0.11 0.00 0.09 0.00 0.00 178.44 181.00 1sxz s ALA 143 N -4.14 -1.52 0.22 1.53 0.00 -1.20 -4.11 121.76 112.55 1sxz s ALA 143 Ca -0.11 0.87 -0.21 0.00 0.00 0.00 0.00 51.96 52.52 1sxz s ALA 143 Cb 0.10 0.27 0.04 0.00 0.00 0.00 0.00 23.12 23.53 1sxz s ALA 143 CO 0.89 -0.47 0.63 0.00 0.00 0.00 0.00 175.76 176.82 1sxz s GLY 145 N -2.85 -0.60 0.03 0.00 0.00 -0.92 -1.02 107.32 101.96 1sxz s GLY 145 Ca 0.07 0.90 -0.26 0.00 0.00 0.00 0.00 44.72 45.43 1sxz s GLY 145 CO -0.02 0.55 0.80 0.14 0.00 0.00 0.00 173.10 174.57 1sxz s VAL 146 N -2.50 4.76 -0.29 1.40 1.01 -1.26 -1.53 120.40 121.98 1sxz s VAL 146 Ca -0.05 1.69 -0.28 0.00 0.00 0.00 0.00 61.98 63.34 1sxz s VAL 146 Cb -0.01 -4.14 0.01 0.00 0.00 0.00 0.00 36.38 32.24 1sxz s VAL 146 CO -0.02 0.33 0.99 -0.63 0.00 0.00 0.00 175.10 175.77 1sxz s ILE 147 N 0.14 4.63 0.34 2.22 1.01 -0.00 -4.41 121.20 125.13 1sxz s ILE 147 Ca 0.40 1.68 0.09 0.00 0.00 0.00 0.00 60.65 62.82 1sxz s ILE 147 Cb -0.20 -4.32 -0.06 0.00 0.01 0.00 0.00 42.46 37.89 1sxz s ILE 147 CO 0.23 -0.34 -0.06 -0.83 0.00 0.00 0.00 174.94 173.94 1sxz s GLY 148 N 1.53 2.13 0.12 6.18 0.00 -0.66 0.36 107.32 116.97 1sxz s GLY 148 Ca 0.42 -2.03 -0.30 0.00 0.00 0.00 0.00 44.72 42.80 1sxz s GLY 148 CO 0.12 -1.98 1.24 -0.42 0.00 0.00 0.00 173.10 172.06 1sxz s ILE 149 N -2.57 3.71 0.32 0.90 1.01 -1.26 -0.65 121.20 122.66 1sxz s ILE 149 Ca 0.33 1.30 0.09 0.00 0.00 0.00 0.00 60.65 62.36 1sxz s ILE 149 Cb 0.01 -3.83 -0.04 0.00 0.01 0.00 0.00 42.46 38.61 1sxz s ILE 149 CO 0.17 0.14 0.11 0.00 0.00 0.00 0.00 174.94 175.36 1sxz s ALA 150 N 0.68 3.41 -2.12 9.38 0.00 -0.60 -4.78 121.76 127.73 1sxz s ALA 150 Ca 0.58 -1.78 0.31 0.00 0.00 0.00 0.00 51.96 51.07 1sxz s ALA 150 Cb -0.32 -0.75 1.70 0.00 0.00 0.00 0.00 23.12 23.75 1sxz s ALA 150 CO 0.32 0.10 2.11 1.17 0.00 0.00 0.00 175.76 179.46