#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sxb n THR 2 N 0.00 0.00 -3.96 0.00 -2.24 -1.26 -4.63 114.28 102.19 1sxb n THR 2 Ca 0.00 -0.24 -0.12 0.00 -2.27 0.00 0.00 64.05 61.42 1sxb n THR 2 Cb 0.00 0.65 -0.13 0.00 -2.10 0.00 0.00 70.33 68.75 1sxb n THR 2 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1sxb s LYS 3 N -2.06 0.20 0.16 -0.78 1.02 -1.26 -0.93 119.74 116.08 1sxb s LYS 3 Ca -0.00 -0.29 -0.04 0.00 0.02 0.00 0.00 55.97 55.66 1sxb s LYS 3 Cb 0.05 -0.03 -0.03 0.00 -0.52 0.00 0.00 37.83 37.29 1sxb s LYS 3 CO 0.27 0.00 0.16 0.00 -0.92 0.00 0.00 175.35 174.86 1sxb s ALA 4 N -0.62 0.58 0.04 5.17 0.00 -0.62 -1.61 121.76 124.70 1sxb s ALA 4 Ca -0.06 -1.29 -0.11 0.00 0.00 0.00 0.00 51.96 50.50 1sxb s ALA 4 Cb -0.04 0.96 0.01 0.00 0.00 0.00 0.00 23.12 24.04 1sxb s ALA 4 CO -0.00 -0.57 0.23 0.54 0.00 0.00 0.00 175.76 175.96 1sxb s VAL 5 N -4.04 0.10 -0.05 0.00 0.11 -0.33 -0.81 120.40 115.38 1sxb s VAL 5 Ca 0.24 -0.80 -0.04 0.00 -2.93 0.00 0.00 61.98 58.45 1sxb s VAL 5 Cb 0.06 -0.90 0.01 0.00 -1.53 0.00 0.00 36.38 34.02 1sxb s VAL 5 CO 0.03 -0.44 0.13 0.00 -3.33 0.00 0.00 175.10 171.49 1sxb s VAL 7 N 0.16 3.27 -0.16 0.00 1.01 -1.26 -1.06 120.40 122.35 1sxb s VAL 7 Ca -0.01 -0.62 -0.19 0.00 0.00 0.00 0.00 61.98 61.16 1sxb s VAL 7 Cb -0.02 -2.53 -0.04 0.00 0.00 0.00 0.00 36.38 33.80 1sxb s VAL 7 CO -0.00 0.36 0.52 -0.76 0.00 0.00 0.00 175.10 175.22 1sxb s LEU 8 N 1.45 4.20 0.03 3.92 1.43 0.41 -4.04 118.68 126.07 1sxb s LEU 8 Ca 0.05 0.76 -0.00 0.00 -1.03 0.00 0.00 54.13 53.91 1sxb s LEU 8 Cb -0.15 -2.74 -0.03 0.00 0.03 0.00 0.00 46.19 43.31 1sxb s LEU 8 CO -0.04 -0.12 -0.03 -0.54 0.23 0.00 0.00 176.35 175.85 1sxb s LYS 9 N 1.26 0.44 0.00 1.70 1.02 -0.70 -2.29 119.74 121.18 1sxb s LYS 9 Ca 0.26 -0.85 0.00 0.00 0.02 0.00 0.00 55.97 55.39 1sxb s LYS 9 Cb -0.15 0.11 0.00 0.00 -0.52 0.00 0.00 37.83 37.26 1sxb s LYS 9 CO 0.10 -0.06 0.00 0.41 -0.92 0.00 0.00 175.35 174.88 1sxb n GLY 10 N 1.02 3.55 0.43 -3.33 0.00 -1.25 -1.17 105.19 104.44 1sxb n GLY 10 Ca -0.20 -0.94 0.13 0.00 0.00 0.00 0.00 46.02 45.01 1sxb n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sxb n ASP 11 N -0.05 1.51 -0.21 1.61 8.00 -1.26 -4.91 116.55 121.25 1sxb n ASP 11 Ca 0.00 -1.30 0.00 0.00 0.71 0.00 0.00 54.79 54.20 1sxb n ASP 11 Cb 0.00 0.10 0.00 0.00 -0.02 0.00 0.00 41.12 41.20 1sxb n ASP 11 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sxb n GLY 12 N 1.29 5.42 0.07 0.44 0.00 -1.26 -5.03 105.19 106.11 1sxb n GLY 12 Ca 0.15 -2.05 0.15 0.00 0.00 0.00 0.00 46.02 44.27 1sxb n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1sxb n PRO 13 N -0.04 0.70 -2.41 1.61 -0.04 -1.26 -4.90 135.00 128.66 1sxb n PRO 13 Ca 0.00 -0.14 -0.42 0.00 -0.04 0.00 0.00 63.50 62.90 1sxb n PRO 13 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 1sxb n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1sxb s VAL 14 N -2.39 3.97 0.10 0.52 1.01 -1.26 -4.50 120.40 117.85 1sxb s VAL 14 Ca 0.33 1.44 -0.13 0.00 0.00 0.00 0.00 61.98 63.62 1sxb s VAL 14 Cb 0.21 -3.92 0.02 0.00 0.00 0.00 0.00 36.38 32.68 1sxb s VAL 14 CO 0.44 0.13 0.30 -1.10 0.00 0.00 0.00 175.10 174.87 1sxb s GLN 15 N 0.92 0.95 -0.08 2.72 -0.21 -0.88 -3.97 119.66 119.09 1sxb s GLN 15 Ca 0.58 -0.79 -0.32 0.00 0.02 0.00 0.00 55.36 54.84 1sxb s GLN 15 Cb -0.30 0.40 0.14 0.00 1.00 0.00 0.00 33.01 34.25 1sxb s GLN 15 CO 0.30 -0.34 1.34 0.20 -2.12 0.00 0.00 175.29 174.67 1sxb s GLY 16 N -2.75 -0.41 -0.08 3.09 0.00 -0.97 -0.17 107.32 106.02 1sxb s GLY 16 Ca 0.03 0.99 0.01 0.00 0.00 0.00 0.00 44.72 45.75 1sxb s GLY 16 CO -0.11 0.23 -0.09 -1.59 0.00 0.00 0.00 173.10 171.54 1sxb s THR 17 N -2.26 0.95 -0.09 0.90 2.01 -0.74 -0.45 115.64 115.97 1sxb s THR 17 Ca 0.14 -0.32 0.03 0.00 0.31 0.00 0.00 61.69 61.84 1sxb s THR 17 Cb 0.05 -0.93 -0.02 0.00 0.01 0.00 0.00 72.50 71.61 1sxb s THR 17 CO -0.05 0.33 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.42 1sxb s ILE 18 N 1.10 2.80 0.07 1.82 -1.09 -0.22 -2.51 121.20 123.16 1sxb s ILE 18 Ca -0.07 -0.79 0.07 0.00 -2.23 0.00 0.00 60.65 57.64 1sxb s ILE 18 Cb -0.14 -2.11 -0.04 0.00 -1.58 0.00 0.00 42.46 38.59 1sxb s ILE 18 CO -0.01 0.56 -0.16 -1.00 -1.23 0.00 0.00 174.94 173.09 1sxb s HIS 19 N -0.11 2.59 -0.01 3.97 3.76 0.58 -0.93 115.29 125.13 1sxb s HIS 19 Ca -0.02 -0.23 0.03 0.00 -0.15 0.00 0.00 55.06 54.68 1sxb s HIS 19 Cb -0.14 -1.43 -0.00 0.00 1.11 0.00 0.00 32.58 32.12 1sxb s HIS 19 CO 0.04 0.32 -0.09 -0.06 -0.85 0.00 0.00 174.74 174.10 1sxb s PHE 20 N -1.03 0.82 -0.05 1.40 0.40 0.01 -1.69 117.98 117.83 1sxb s PHE 20 Ca 0.17 -0.17 -0.02 0.00 -0.60 0.00 0.00 56.93 56.31 1sxb s PHE 20 Cb -0.11 -0.55 0.03 0.00 0.51 0.00 0.00 43.02 42.91 1sxb s PHE 20 CO 0.08 -0.04 0.10 -2.00 0.70 0.00 0.00 175.22 174.06 1sxb s GLU 21 N -0.08 0.05 -0.02 0.44 2.12 -0.47 -1.59 118.70 119.15 1sxb s GLU 21 Ca 0.02 0.28 -0.30 0.00 0.36 0.00 0.00 54.97 55.33 1sxb s GLU 21 Cb -0.05 -0.18 -0.04 0.00 0.26 0.00 0.00 34.13 34.12 1sxb s GLU 21 CO -0.00 -0.15 1.18 0.00 -0.54 0.00 0.00 175.26 175.74 1sxb s ALA 22 N 1.03 3.44 -0.21 6.30 0.00 -0.10 -0.41 121.76 131.81 1sxb s ALA 22 Ca -0.08 0.66 -0.03 0.00 0.00 0.00 0.00 51.96 52.51 1sxb s ALA 22 Cb -0.11 -3.48 0.06 0.00 0.00 0.00 0.00 23.12 19.59 1sxb s ALA 22 CO -0.04 -0.64 0.04 0.21 0.00 0.00 0.00 175.76 175.33 1sxb s LYS 23 N 1.83 0.67 7.45 0.00 2.20 0.48 -4.94 119.74 127.43 1sxb s LYS 23 Ca 0.56 -0.50 0.00 0.00 -0.36 0.00 0.00 55.97 55.67 1sxb s LYS 23 Cb -0.25 -2.09 0.00 0.00 -1.51 0.00 0.00 37.83 33.98 1sxb s LYS 23 CO 0.24 -0.68 0.00 0.41 -0.36 0.00 0.00 175.35 174.96 1sxb n GLY 24 N 5.03 2.90 1.93 5.54 0.00 -1.26 -1.15 105.19 118.17 1sxb n GLY 24 Ca -0.08 -0.24 -0.04 0.00 0.00 0.00 0.00 46.02 45.66 1sxb n GLY 24 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1sxb n ASP 25 N 5.15 4.85 -4.45 1.61 5.75 -1.26 -4.95 116.55 123.24 1sxb n ASP 25 Ca 0.00 -3.20 -0.25 0.00 -0.01 0.00 0.00 54.79 51.33 1sxb n ASP 25 Cb 0.00 -0.73 -0.10 0.00 -1.03 0.00 0.00 41.12 39.26 1sxb n ASP 25 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1sxb s THR 26 N -2.98 1.22 -0.09 2.12 -4.23 -0.30 -4.63 115.64 106.75 1sxb s THR 26 Ca 0.54 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 59.10 1sxb s THR 26 Cb 0.43 -2.69 -0.00 0.00 1.34 0.00 0.00 72.50 71.59 1sxb s THR 26 CO 0.13 0.00 -0.24 -0.69 -0.54 0.00 0.00 174.62 173.28 1sxb s VAL 27 N -3.13 2.05 -0.26 2.29 1.01 0.54 -0.39 120.40 122.50 1sxb s VAL 27 Ca 0.31 -1.02 -0.11 0.00 0.00 0.00 0.00 61.98 61.16 1sxb s VAL 27 Cb 0.07 -1.77 -0.05 0.00 0.00 0.00 0.00 36.38 34.64 1sxb s VAL 27 CO 0.14 0.56 0.17 -0.69 0.00 0.00 0.00 175.10 175.29 1sxb s VAL 28 N 0.28 5.31 -0.22 2.92 1.01 0.46 -0.97 120.40 129.19 1sxb s VAL 28 Ca -0.17 0.17 -0.04 0.00 0.00 0.00 0.00 61.98 61.93 1sxb s VAL 28 Cb -0.17 -3.51 -0.01 0.00 0.00 0.00 0.00 36.38 32.69 1sxb s VAL 28 CO 0.08 0.29 -0.02 -0.69 0.00 0.00 0.00 175.10 174.76 1sxb s VAL 29 N 1.45 3.55 0.20 2.92 1.01 0.91 -1.36 120.40 129.08 1sxb s VAL 29 Ca 0.07 -0.43 0.02 0.00 0.00 0.00 0.00 61.98 61.64 1sxb s VAL 29 Cb -0.15 -2.62 -0.05 0.00 0.00 0.00 0.00 36.38 33.56 1sxb s VAL 29 CO 0.08 0.41 0.02 0.42 0.00 0.00 0.00 175.10 176.03 1sxb s THR 30 N 1.45 0.70 -5.00 3.92 -4.23 -0.68 -0.22 115.64 111.58 1sxb s THR 30 Ca 0.05 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 58.57 1sxb s THR 30 Cb -0.14 -2.25 0.00 0.00 1.34 0.00 0.00 72.50 71.44 1sxb s THR 30 CO -0.02 -0.36 0.00 0.61 -0.54 0.00 0.00 174.62 174.31 1sxb n GLY 31 N -0.31 0.96 3.37 3.99 0.00 -1.10 -0.31 105.19 111.79 1sxb n GLY 31 Ca -0.05 -1.87 -0.14 0.00 0.00 0.00 0.00 46.02 43.96 1sxb n GLY 31 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sxb s SER 32 N -4.00 -0.40 -0.04 1.61 1.04 -1.05 -0.52 113.70 110.34 1sxb s SER 32 Ca 0.00 0.22 0.03 0.00 0.48 0.00 0.00 55.95 56.69 1sxb s SER 32 Cb 0.00 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.58 1sxb s SER 32 CO 0.00 -0.64 -0.14 -0.63 0.98 0.00 0.00 173.24 172.81 1sxb s ILE 33 N -2.02 1.19 0.30 -1.02 1.01 -0.85 -1.79 121.20 118.01 1sxb s ILE 33 Ca -0.08 -0.57 0.07 0.00 0.00 0.00 0.00 60.65 60.07 1sxb s ILE 33 Cb -0.01 -1.04 -0.06 0.00 0.01 0.00 0.00 42.46 41.36 1sxb s ILE 33 CO 0.01 0.35 -0.06 0.42 0.00 0.00 0.00 174.94 175.67 1sxb s THR 34 N 0.17 1.73 0.00 2.92 -4.23 0.76 -0.75 115.64 116.24 1sxb s THR 34 Ca -0.05 -2.13 0.00 0.00 -1.18 0.00 0.00 61.69 58.33 1sxb s THR 34 Cb -0.11 -2.52 0.00 0.00 1.34 0.00 0.00 72.50 71.21 1sxb s THR 34 CO 0.02 -0.26 0.00 0.61 -0.54 0.00 0.00 174.62 174.45 1sxb n GLY 35 N -0.64 0.50 3.91 3.99 0.00 -0.94 -2.08 105.19 109.93 1sxb n GLY 35 Ca -0.05 -0.58 -0.28 0.00 0.00 0.00 0.00 46.02 45.10 1sxb n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sxb s LEU 36 N 0.00 4.13 0.49 0.99 1.43 -0.86 -4.33 118.68 120.52 1sxb s LEU 36 Ca 0.00 0.59 -0.20 0.00 -1.03 0.00 0.00 54.13 53.49 1sxb s LEU 36 Cb 0.00 -3.39 -0.08 0.00 0.03 0.00 0.00 46.19 42.75 1sxb s LEU 36 CO 0.00 -0.13 1.05 0.42 0.23 0.00 0.00 176.35 177.92 1sxb s THR 37 N -2.00 3.70 0.48 5.49 -4.23 -1.26 -3.85 115.64 113.98 1sxb s THR 37 Ca 0.42 1.07 -0.23 0.00 -1.18 0.00 0.00 61.69 61.77 1sxb s THR 37 Cb -0.11 -3.44 -0.08 0.00 1.34 0.00 0.00 72.50 70.21 1sxb s THR 37 CO 0.29 -0.22 1.17 1.21 -0.54 0.00 0.00 174.62 176.54 1sxb n GLU 38 N -0.97 1.56 0.00 3.99 2.13 -1.26 -4.49 120.64 121.60 1sxb n GLU 38 Ca 0.09 0.57 0.00 0.00 0.66 0.00 0.00 57.16 58.48 1sxb n GLU 38 Cb 0.52 -2.30 0.00 0.00 0.27 0.00 0.00 31.44 29.93 1sxb n GLU 38 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1sxb n GLY 39 N 0.97 -0.53 3.81 8.31 0.00 -0.18 -4.88 105.19 112.69 1sxb n GLY 39 Ca 0.09 -2.20 -0.37 0.00 0.00 0.00 0.00 46.02 43.54 1sxb n GLY 39 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sxb s ASP 40 N -4.00 7.13 -0.02 1.61 1.11 -1.26 0.37 116.67 121.61 1sxb s ASP 40 Ca 0.00 1.44 0.01 0.00 0.18 0.00 0.00 52.55 54.18 1sxb s ASP 40 Cb 0.00 -2.43 0.02 0.00 1.07 0.00 0.00 42.92 41.58 1sxb s ASP 40 CO 0.00 0.11 -0.01 -1.00 1.18 0.00 0.00 175.17 175.45 1sxb s HIS 41 N -1.37 0.29 0.51 4.23 3.76 -0.23 -2.72 115.29 119.76 1sxb s HIS 41 Ca 0.39 -0.01 -0.22 0.00 -0.15 0.00 0.00 55.06 55.07 1sxb s HIS 41 Cb -0.19 -0.34 -0.06 0.00 1.11 0.00 0.00 32.58 33.11 1sxb s HIS 41 CO 0.22 -0.09 1.25 0.20 -0.85 0.00 0.00 174.74 175.46 1sxb s GLY 42 N 0.72 2.82 -0.17 -2.22 0.00 -0.37 -0.67 107.32 107.43 1sxb s GLY 42 Ca -0.07 1.10 -0.05 0.00 0.00 0.00 0.00 44.72 45.71 1sxb s GLY 42 CO -0.01 1.58 0.08 -0.12 0.00 0.00 0.00 173.10 174.63 1sxb s PHE 43 N -1.46 0.31 0.08 1.90 5.36 -0.20 -0.94 117.98 123.03 1sxb s PHE 43 Ca 0.69 -0.39 -0.01 0.00 -0.96 0.00 0.00 56.93 56.26 1sxb s PHE 43 Cb -0.34 -0.74 -0.04 0.00 -0.34 0.00 0.00 43.02 41.57 1sxb s PHE 43 CO 0.40 -0.53 0.00 -1.01 -1.46 0.00 0.00 175.22 172.62 1sxb s HIS 44 N 2.10 0.63 -0.25 10.12 3.76 -0.81 -2.73 115.29 128.11 1sxb s HIS 44 Ca 0.02 -1.12 -0.18 0.00 -0.15 0.00 0.00 55.06 53.62 1sxb s HIS 44 Cb -0.16 -0.42 -0.03 0.00 1.11 0.00 0.00 32.58 33.08 1sxb s HIS 44 CO -0.09 -0.43 0.52 0.08 -0.85 0.00 0.00 174.74 173.97 1sxb s VAL 45 N -3.96 5.07 0.32 -0.90 1.01 -0.04 -0.90 120.40 121.00 1sxb s VAL 45 Ca 0.13 0.91 -0.02 0.00 0.00 0.00 0.00 61.98 63.00 1sxb s VAL 45 Cb 0.08 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 1sxb s VAL 45 CO -0.06 0.11 0.56 -1.00 0.00 0.00 0.00 175.10 174.70 1sxb s HIS 46 N 2.15 3.50 0.14 5.22 3.76 0.14 -1.46 115.29 128.75 1sxb s HIS 46 Ca 0.22 0.50 -0.16 0.00 -0.15 0.00 0.00 55.06 55.48 1sxb s HIS 46 Cb -0.16 -2.01 0.01 0.00 1.11 0.00 0.00 32.58 31.53 1sxb s HIS 46 CO 0.09 0.13 1.70 0.37 -0.85 0.00 0.00 174.74 176.18 1sxb h GLN 47 N 1.17 0.61 -5.95 1.40 4.15 -0.07 -3.11 115.11 113.30 1sxb h GLN 47 Ca -0.49 -0.10 -0.65 0.00 0.77 0.00 0.00 58.65 58.18 1sxb h GLN 47 Cb 1.20 -0.11 -0.09 0.00 0.21 0.00 0.00 27.48 28.70 1sxb h GLN 47 CO 0.64 0.55 -0.56 -0.06 -1.93 0.00 0.00 178.83 177.47 1sxb s PHE 48 N -5.63 3.35 -0.64 3.99 0.08 0.05 -4.68 117.98 114.50 1sxb s PHE 48 Ca -0.13 0.25 -0.02 0.00 0.12 0.00 0.00 56.93 57.14 1sxb s PHE 48 Cb 0.10 -1.77 0.26 0.00 -0.57 0.00 0.00 43.02 41.05 1sxb s PHE 48 CO 0.75 0.58 2.27 0.41 -0.10 0.00 0.00 175.22 179.13 1sxb n GLY 49 N 1.17 5.06 3.35 4.36 0.00 -0.97 -3.63 105.19 114.53 1sxb n GLY 49 Ca -0.13 -2.12 -0.40 0.00 0.00 0.00 0.00 46.02 43.37 1sxb n GLY 49 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1sxb s ASP 50 N -0.61 5.61 -0.20 1.61 -1.08 -1.26 -4.95 116.67 115.78 1sxb s ASP 50 Ca 0.54 -1.02 0.15 0.00 -0.52 0.00 0.00 52.55 51.71 1sxb s ASP 50 Cb 0.41 -1.98 0.58 0.00 -1.46 0.00 0.00 42.92 40.47 1sxb s ASP 50 CO -0.25 -0.36 1.49 -3.20 0.52 0.00 0.00 175.17 173.37 1sxb n ASN 51 N 4.95 4.03 0.17 -0.34 2.85 -1.26 -3.15 115.26 122.51 1sxb n ASN 51 Ca -0.12 -3.09 0.04 0.00 -0.11 0.00 0.00 54.58 51.30 1sxb n ASN 51 Cb 0.46 -0.58 0.46 0.00 1.24 0.00 0.00 39.78 41.36 1sxb n ASN 51 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 1sxb h THR 52 N 2.02 1.14 -1.39 -0.44 1.35 -1.92 -2.85 112.91 110.82 1sxb h THR 52 Ca 0.04 -0.63 -0.61 0.00 -0.55 0.00 0.00 66.41 64.66 1sxb h THR 52 Cb 1.58 1.23 -0.40 0.00 -1.73 0.00 0.00 68.15 68.83 1sxb h THR 52 CO 0.30 0.19 -0.48 0.00 -0.25 0.00 0.00 175.52 175.28 1sxb n GLN 53 N -4.32 3.36 0.00 4.72 6.02 -1.26 -5.05 117.38 120.85 1sxb n GLN 53 Ca -0.02 -4.27 0.00 0.00 -0.01 0.00 0.00 57.00 52.70 1sxb n GLN 53 Cb 0.24 -2.26 0.00 0.00 1.02 0.00 0.00 30.24 29.24 1sxb n GLN 53 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1sxb n GLY 54 N -0.55 1.35 0.13 1.08 0.00 -1.08 -2.88 105.19 103.24 1sxb n GLY 54 Ca 0.43 -0.70 0.13 0.00 0.00 0.00 0.00 46.02 45.88 1sxb n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sxb h THR 56 N 0.00 1.26 0.00 0.00 2.02 -1.86 -2.80 112.91 111.52 1sxb h THR 56 Ca 0.00 -1.12 0.00 0.00 0.77 0.00 0.00 66.41 66.06 1sxb h THR 56 Cb 0.81 0.96 0.00 0.00 -1.74 0.00 0.00 68.15 68.17 1sxb h THR 56 CO 0.00 0.39 0.00 -1.54 0.37 0.00 0.00 175.52 174.74 1sxb n SER 57 N -4.18 0.00 0.13 4.18 3.41 -1.25 -3.16 113.62 112.75 1sxb n SER 57 Ca 0.02 -0.91 0.12 0.00 -0.26 0.00 0.00 58.87 57.84 1sxb n SER 57 Cb 0.35 0.00 0.49 0.00 -0.26 0.00 0.00 64.21 64.78 1sxb n SER 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sxb n ALA 58 N -0.92 1.69 -0.17 7.33 0.00 -1.06 -4.44 120.51 122.95 1sxb n ALA 58 Ca 0.15 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1sxb n ALA 58 Cb 0.07 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.13 1sxb n ALA 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sxb n GLY 59 N 0.07 -1.13 2.42 0.00 0.00 -1.19 -0.77 105.19 104.60 1sxb n GLY 59 Ca 0.02 -1.23 -0.15 0.00 0.00 0.00 0.00 46.02 44.65 1sxb n GLY 59 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1sxb n PRO 60 N -0.02 -0.07 -1.75 1.61 -0.04 -1.26 -4.62 135.00 128.85 1sxb n PRO 60 Ca 0.00 -1.60 -0.37 0.00 -0.04 0.00 0.00 63.50 61.49 1sxb n PRO 60 Cb 0.00 -0.52 0.06 0.00 -0.04 0.00 0.00 33.50 33.00 1sxb n PRO 60 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1sxb s HIS 61 N -2.07 2.12 -0.17 0.54 3.76 -1.26 0.25 115.29 118.46 1sxb s HIS 61 Ca 0.43 1.46 -0.29 0.00 -0.15 0.00 0.00 55.06 56.51 1sxb s HIS 61 Cb -0.02 -3.72 -0.03 0.00 1.11 0.00 0.00 32.58 29.92 1sxb s HIS 61 CO 0.29 -2.93 1.57 0.12 -0.85 0.00 0.00 174.74 172.94 1sxb s PHE 62 N -1.38 2.18 -0.39 1.40 5.36 -0.53 -4.42 117.98 120.21 1sxb s PHE 62 Ca 0.81 0.51 0.09 0.00 -0.96 0.00 0.00 56.93 57.38 1sxb s PHE 62 Cb -0.38 -3.89 0.28 0.00 -0.34 0.00 0.00 43.02 38.69 1sxb s PHE 62 CO 0.41 -3.01 0.62 -1.71 -1.46 0.00 0.00 175.22 170.07 1sxb n ASN 63 N 7.79 0.13 0.30 6.13 5.15 -1.26 -1.47 115.26 132.03 1sxb n ASN 63 Ca 0.18 -2.84 0.17 0.00 -0.60 0.00 0.00 54.58 51.49 1sxb n ASN 63 Cb 0.44 -0.43 0.97 0.00 -0.53 0.00 0.00 39.78 40.23 1sxb n ASN 63 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1sxb h PRO 64 N 3.68 0.00 -0.42 1.20 0.13 -1.96 -2.65 132.00 131.98 1sxb h PRO 64 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 1sxb h PRO 64 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 1sxb h PRO 64 CO 0.46 0.03 0.00 1.28 -0.23 0.00 0.00 178.00 179.53 1sxb n LEU 65 N -3.49 2.71 -3.91 1.56 4.77 -1.26 -4.99 117.00 112.39 1sxb n LEU 65 Ca -0.02 -1.27 -0.31 0.00 -0.03 0.00 0.00 56.01 54.37 1sxb n LEU 65 Cb 0.13 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 1sxb n LEU 65 CO 0.25 0.64 -0.19 -1.20 -1.33 0.00 0.00 177.39 175.56 1sxb n SER 66 N 0.99 -2.44 -4.85 -1.43 7.64 -1.00 -5.00 113.62 107.52 1sxb n SER 66 Ca 0.18 -1.08 -0.24 0.00 1.01 0.00 0.00 58.87 58.74 1sxb n SER 66 Cb 0.46 -2.85 -0.03 0.00 -1.01 0.00 0.00 64.21 60.78 1sxb n SER 66 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1sxb s LYS 67 N -6.56 2.35 0.56 1.43 1.02 -1.26 -5.14 119.74 112.14 1sxb s LYS 67 Ca 0.23 -1.80 -0.02 0.00 0.02 0.00 0.00 55.97 54.40 1sxb s LYS 67 Cb -0.10 -2.17 0.02 0.00 -0.52 0.00 0.00 37.83 35.07 1sxb s LYS 67 CO 0.90 -0.34 0.81 0.15 -0.92 0.00 0.00 175.35 175.95 1sxb s LYS 68 N -4.14 2.69 0.25 1.68 1.02 -1.26 -4.75 119.74 115.23 1sxb s LYS 68 Ca 0.41 -0.47 -0.30 0.00 0.02 0.00 0.00 55.97 55.63 1sxb s LYS 68 Cb -0.01 -2.41 -0.10 0.00 -0.52 0.00 0.00 37.83 34.79 1sxb s LYS 68 CO 0.24 -0.69 1.37 -1.58 -0.92 0.00 0.00 175.35 173.77 1sxb s HIS 69 N -2.84 3.10 0.08 3.18 5.65 -0.61 -3.13 115.29 120.72 1sxb s HIS 69 Ca 0.55 1.17 -0.01 0.00 0.25 0.00 0.00 55.06 57.02 1sxb s HIS 69 Cb -0.10 -3.72 0.00 0.00 -1.18 0.00 0.00 32.58 27.58 1sxb s HIS 69 CO 0.41 -2.26 0.12 0.41 -0.65 0.00 0.00 174.74 172.77 1sxb n GLY 70 N 1.95 2.64 3.96 1.59 0.00 -1.24 -4.26 105.19 109.83 1sxb n GLY 70 Ca 0.05 -1.34 -0.22 0.00 0.00 0.00 0.00 46.02 44.51 1sxb n GLY 70 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sxb s GLY 71 N -1.45 1.66 0.51 -0.02 0.00 -1.19 -4.67 107.32 102.16 1sxb s GLY 71 Ca 0.05 -1.16 0.19 0.00 0.00 0.00 0.00 44.72 43.81 1sxb s GLY 71 CO 0.04 -0.95 2.05 -0.56 0.00 0.00 0.00 173.10 173.68 1sxb h PRO 72 N 0.28 0.09 -0.00 2.90 0.13 -1.87 -1.64 132.00 131.88 1sxb h PRO 72 Ca -0.45 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1sxb h PRO 72 Cb 1.27 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1sxb h PRO 72 CO 0.55 0.06 -0.11 1.63 -0.23 0.00 0.00 178.00 179.90 1sxb n LYS 73 N -4.45 0.79 -2.75 0.86 5.02 -1.26 -4.90 118.16 111.46 1sxb n LYS 73 Ca 0.05 -0.30 -0.31 0.00 -2.02 0.00 0.00 58.31 55.73 1sxb n LYS 73 Cb 0.37 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 33.85 1sxb n LYS 73 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1sxb s ASP 74 N -2.42 6.58 0.10 4.39 1.01 -0.62 -4.99 116.67 120.72 1sxb s ASP 74 Ca 0.30 1.28 -0.04 0.00 0.71 0.00 0.00 52.55 54.80 1sxb s ASP 74 Cb 0.20 -2.38 -0.19 0.00 1.01 0.00 0.00 42.92 41.56 1sxb s ASP 74 CO 0.46 -0.43 1.22 -0.33 0.21 0.00 0.00 175.17 176.30 1sxb h GLU 75 N 1.26 0.33 -4.72 8.23 5.08 -1.90 -3.38 114.58 119.48 1sxb h GLU 75 Ca -0.47 -0.46 -0.71 0.00 -1.00 0.00 0.00 59.36 56.72 1sxb h GLU 75 Cb 1.19 0.15 -0.20 0.00 0.50 0.00 0.00 28.75 30.39 1sxb h GLU 75 CO 0.63 1.17 0.45 -2.00 -1.00 0.00 0.00 179.01 178.26 1sxb s GLU 76 N -2.94 3.40 0.15 2.33 2.56 -1.26 -4.96 118.70 117.97 1sxb s GLU 76 Ca -0.05 -1.70 -0.15 0.00 0.00 0.00 0.00 54.97 53.07 1sxb s GLU 76 Cb 0.08 -4.57 0.02 0.00 2.00 0.00 0.00 34.13 31.66 1sxb s GLU 76 CO 0.88 -1.61 0.40 -0.98 -0.56 0.00 0.00 175.26 173.39 1sxb s ARG 77 N 2.28 1.16 0.53 4.30 1.70 -1.22 -3.65 118.95 124.05 1sxb s ARG 77 Ca 0.23 -0.84 -0.16 0.00 -0.47 0.00 0.00 55.73 54.48 1sxb s ARG 77 Cb -0.12 0.46 -0.07 0.00 -0.57 0.00 0.00 34.95 34.64 1sxb s ARG 77 CO -0.03 -0.46 1.00 -1.01 -1.08 0.00 0.00 175.30 173.72 1sxb s HIS 78 N -3.85 3.36 0.34 5.89 3.76 -1.18 -4.72 115.29 118.89 1sxb s HIS 78 Ca 0.07 1.48 0.02 0.00 -0.15 0.00 0.00 55.06 56.48 1sxb s HIS 78 Cb 0.01 -2.84 0.61 0.00 1.11 0.00 0.00 32.58 31.48 1sxb s HIS 78 CO -0.07 -0.51 2.00 0.28 -0.85 0.00 0.00 174.74 175.59 1sxb h VAL 79 N 0.84 1.16 0.00 -0.90 2.07 -1.81 -2.26 116.25 115.35 1sxb h VAL 79 Ca -0.47 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 66.74 1sxb h VAL 79 Cb 1.19 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1sxb h VAL 79 CO 0.61 0.16 0.00 0.61 0.02 0.00 0.00 177.57 178.97 1sxb n GLY 80 N -1.44 -0.75 3.55 2.17 0.00 -0.54 -4.48 105.19 103.70 1sxb n GLY 80 Ca 0.07 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 1sxb n GLY 80 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sxb s ASP 81 N -1.84 6.24 -0.04 1.61 1.01 -0.85 -0.86 116.67 121.93 1sxb s ASP 81 Ca 0.28 -0.70 0.18 0.00 0.71 0.00 0.00 52.55 53.02 1sxb s ASP 81 Cb 0.13 -2.55 0.59 0.00 1.01 0.00 0.00 42.92 42.09 1sxb s ASP 81 CO 0.22 -1.74 1.50 0.18 0.21 0.00 0.00 175.17 175.53 1sxb n LEU 82 N 9.15 3.96 0.00 1.23 4.77 -1.11 -3.66 117.00 131.35 1sxb n LEU 82 Ca 0.09 -2.19 0.00 0.00 -0.03 0.00 0.00 56.01 53.88 1sxb n LEU 82 Cb 0.49 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 1sxb n LEU 82 CO 0.69 0.86 0.00 0.61 -1.33 0.00 0.00 177.39 178.23 1sxb n GLY 83 N 1.12 0.36 3.23 -0.72 0.00 -1.23 -4.79 105.19 103.16 1sxb n GLY 83 Ca 0.22 -0.88 -0.20 0.00 0.00 0.00 0.00 46.02 45.16 1sxb n GLY 83 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1sxb s ASN 84 N -4.00 2.07 0.13 1.61 0.01 -1.26 -1.03 114.94 112.46 1sxb s ASN 84 Ca 0.00 -0.71 0.06 0.00 -0.71 0.00 0.00 52.86 51.50 1sxb s ASN 84 Cb 0.00 -0.09 -0.04 0.00 0.41 0.00 0.00 41.25 41.53 1sxb s ASN 84 CO 0.00 -0.06 -0.01 0.68 -1.51 0.00 0.00 177.10 176.20 1sxb s VAL 85 N -1.55 3.84 -0.22 1.60 -7.23 0.16 -4.89 120.40 112.10 1sxb s VAL 85 Ca 0.05 -1.19 -0.00 0.00 -1.81 0.00 0.00 61.98 59.02 1sxb s VAL 85 Cb -0.08 -2.87 0.02 0.00 0.56 0.00 0.00 36.38 34.01 1sxb s VAL 85 CO 0.03 0.03 -0.12 -0.89 -0.31 0.00 0.00 175.10 173.84 1sxb s THR 86 N -1.46 2.57 0.11 5.32 2.01 -1.26 -1.07 115.64 121.86 1sxb s THR 86 Ca 0.26 -0.96 -0.19 0.00 0.31 0.00 0.00 61.69 61.11 1sxb s THR 86 Cb -0.11 -2.22 -0.07 0.00 0.01 0.00 0.00 72.50 70.12 1sxb s THR 86 CO 0.18 0.35 0.59 0.00 -0.69 0.00 0.00 174.62 175.05 1sxb s ALA 87 N 1.31 3.56 0.92 7.40 0.00 0.16 -4.20 121.76 130.91 1sxb s ALA 87 Ca 0.02 0.03 -0.05 0.00 0.00 0.00 0.00 51.96 51.96 1sxb s ALA 87 Cb -0.15 -2.65 0.08 0.00 0.00 0.00 0.00 23.12 20.40 1sxb s ALA 87 CO -0.08 0.40 0.47 -0.40 0.00 0.00 0.00 175.76 176.15 1sxb n ASP 88 N 1.38 0.11 0.25 0.00 5.68 -0.27 -1.01 116.55 122.70 1sxb n ASP 88 Ca -0.08 -1.22 0.11 0.00 -0.50 0.00 0.00 54.79 53.10 1sxb n ASP 88 Cb 0.51 -0.35 0.71 0.00 -1.14 0.00 0.00 41.12 40.85 1sxb n ASP 88 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 1sxb h LYS 89 N 0.00 0.00 -0.00 0.11 3.64 -1.95 0.31 116.57 118.67 1sxb h LYS 89 Ca -0.15 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 1sxb h LYS 89 Cb 0.44 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 1sxb h LYS 89 CO 0.12 0.00 -0.07 0.09 -2.27 0.00 0.00 179.45 177.31 1sxb n ASN 90 N -4.35 0.57 0.00 4.20 3.02 -1.26 -4.83 115.26 112.61 1sxb n ASN 90 Ca -0.02 -0.82 0.00 0.00 -0.03 0.00 0.00 54.58 53.72 1sxb n ASN 90 Cb 0.13 -0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.26 1sxb n ASN 90 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sxb n GLY 91 N 1.21 0.51 3.53 7.41 0.00 0.11 -4.71 105.19 113.26 1sxb n GLY 91 Ca 0.17 -0.71 -0.34 0.00 0.00 0.00 0.00 46.02 45.14 1sxb n GLY 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sxb s VAL 92 N -2.00 4.25 -0.13 1.61 1.01 -1.26 -2.03 120.40 121.85 1sxb s VAL 92 Ca 0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 61.98 61.74 1sxb s VAL 92 Cb 0.00 -2.90 -0.02 0.00 0.00 0.00 0.00 36.38 33.46 1sxb s VAL 92 CO 0.00 0.46 -0.08 0.00 0.00 0.00 0.00 175.10 175.48 1sxb s ALA 93 N 0.57 2.85 -0.18 5.51 0.00 0.07 -1.11 121.76 129.47 1sxb s ALA 93 Ca 0.00 -0.86 -0.14 0.00 0.00 0.00 0.00 51.96 50.97 1sxb s ALA 93 Cb -0.14 -1.37 -0.05 0.00 0.00 0.00 0.00 23.12 21.56 1sxb s ALA 93 CO 0.02 0.28 0.29 0.42 0.00 0.00 0.00 175.76 176.78 1sxb s ILE 94 N 0.18 5.29 -0.17 0.00 -1.09 -1.26 -2.00 121.20 122.15 1sxb s ILE 94 Ca -0.04 0.52 -0.08 0.00 -2.23 0.00 0.00 60.65 58.82 1sxb s ILE 94 Cb -0.14 -3.63 -0.04 0.00 -1.58 0.00 0.00 42.46 37.06 1sxb s ILE 94 CO 0.04 0.35 0.10 -0.69 -1.23 0.00 0.00 174.94 173.51 1sxb s VAL 95 N 0.77 5.15 -0.40 2.92 1.01 0.33 -4.77 120.40 125.41 1sxb s VAL 95 Ca 0.15 0.09 0.05 0.00 0.00 0.00 0.00 61.98 62.27 1sxb s VAL 95 Cb -0.13 -3.31 0.17 0.00 0.00 0.00 0.00 36.38 33.10 1sxb s VAL 95 CO 0.05 0.49 0.46 -0.62 0.00 0.00 0.00 175.10 175.48 1sxb s ASP 96 N 0.02 0.39 -0.01 3.32 2.15 -1.23 -2.71 116.67 118.59 1sxb s ASP 96 Ca 0.08 -1.58 0.06 0.00 0.43 0.00 0.00 52.55 51.54 1sxb s ASP 96 Cb -0.12 0.89 -0.02 0.00 -0.30 0.00 0.00 42.92 43.38 1sxb s ASP 96 CO 0.00 -0.21 -0.20 -0.63 -0.17 0.00 0.00 175.17 173.96 1sxb s ILE 97 N 1.33 1.56 -0.16 4.11 1.01 0.70 -4.98 121.20 124.78 1sxb s ILE 97 Ca 0.19 -0.86 -0.00 0.00 0.00 0.00 0.00 60.65 59.98 1sxb s ILE 97 Cb -0.10 -1.30 -0.01 0.00 0.01 0.00 0.00 42.46 41.06 1sxb s ILE 97 CO -0.05 0.43 -0.14 -0.69 0.00 0.00 0.00 174.94 174.50 1sxb s VAL 98 N -0.47 2.83 -0.01 2.92 1.01 -1.26 -0.06 120.40 125.36 1sxb s VAL 98 Ca 0.08 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.35 1sxb s VAL 98 Cb -0.08 -2.20 0.01 0.00 0.00 0.00 0.00 36.38 34.11 1sxb s VAL 98 CO -0.01 0.51 -0.01 -0.62 0.00 0.00 0.00 175.10 174.97 1sxb s ASP 99 N 0.78 0.22 0.00 3.32 2.15 -0.14 -4.97 116.67 118.03 1sxb s ASP 99 Ca -0.05 -0.02 0.24 0.00 0.43 0.00 0.00 52.55 53.15 1sxb s ASP 99 Cb -0.15 -0.06 0.41 0.00 -0.30 0.00 0.00 42.92 42.81 1sxb s ASP 99 CO 0.01 -0.02 1.35 -0.81 -0.17 0.00 0.00 175.17 175.53 1sxb n PRO 100 N 3.34 0.05 -0.06 4.34 -0.04 -1.26 -0.34 135.00 141.03 1sxb n PRO 100 Ca -0.16 -0.03 -0.22 0.00 -0.04 0.00 0.00 63.50 63.04 1sxb n PRO 100 Cb 0.57 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.40 1sxb n PRO 100 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1sxb n LEU 101 N -1.44 2.49 -4.75 1.53 7.94 -1.26 -4.82 117.00 116.69 1sxb n LEU 101 Ca 0.06 0.18 -0.32 0.00 -1.11 0.00 0.00 56.01 54.82 1sxb n LEU 101 Cb 0.34 -1.01 0.10 0.00 0.53 0.00 0.00 43.42 43.37 1sxb n LEU 101 CO 0.36 0.73 0.71 0.27 -1.11 0.00 0.00 177.39 178.35 1sxb s ILE 102 N -2.51 3.02 0.19 1.96 -4.36 -1.26 -4.87 121.20 113.38 1sxb s ILE 102 Ca -0.28 0.37 -0.08 0.00 -0.26 0.00 0.00 60.65 60.40 1sxb s ILE 102 Cb 0.08 -2.79 -0.02 0.00 1.25 0.00 0.00 42.46 40.98 1sxb s ILE 102 CO 0.66 -0.40 0.29 -0.55 0.24 0.00 0.00 174.94 175.19 1sxb s SER 103 N -3.01 0.04 0.00 4.36 0.15 -1.02 -4.51 113.70 109.71 1sxb s SER 103 Ca 0.64 -1.01 0.19 0.00 0.70 0.00 0.00 55.95 56.47 1sxb s SER 103 Cb -0.20 0.46 0.44 0.00 -1.71 0.00 0.00 66.02 65.01 1sxb s SER 103 CO 0.53 -0.94 1.37 0.18 1.20 0.00 0.00 173.24 175.57 1sxb n LEU 104 N -0.26 3.38 -3.64 3.45 4.77 -1.26 -1.70 117.00 121.73 1sxb n LEU 104 Ca -0.04 -1.75 -0.09 0.00 -0.03 0.00 0.00 56.01 54.11 1sxb n LEU 104 Cb 0.63 -0.31 -0.02 0.00 -2.33 0.00 0.00 43.42 41.40 1sxb n LEU 104 CO 0.26 0.79 0.49 -0.94 -1.33 0.00 0.00 177.39 176.67 1sxb s SER 105 N -1.16 -0.38 0.16 -1.43 1.04 -1.26 -4.59 113.70 106.09 1sxb s SER 105 Ca 0.36 -0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.50 1sxb s SER 105 Cb 0.20 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.94 1sxb s SER 105 CO 0.27 -1.08 0.00 0.61 0.98 0.00 0.00 173.24 174.02 1sxb n GLY 106 N -0.41 -1.16 0.30 7.32 0.00 -1.26 -3.75 105.19 106.24 1sxb n GLY 106 Ca -0.10 -1.24 0.02 0.00 0.00 0.00 0.00 46.02 44.70 1sxb n GLY 106 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1sxb h GLU 107 N 0.00 0.78 -0.74 1.61 4.81 -2.00 -2.50 114.58 116.54 1sxb h GLU 107 Ca 0.00 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.16 1sxb h GLU 107 Cb 0.00 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.19 1sxb h GLU 107 CO 0.00 0.52 0.03 0.66 -0.73 0.00 0.00 179.01 179.48 1sxb n TYR 108 N -4.73 1.44 -1.87 0.92 4.01 -1.26 -4.97 117.16 110.70 1sxb n TYR 108 Ca 0.13 -0.54 -0.41 0.00 -0.16 0.00 0.00 57.90 56.91 1sxb n TYR 108 Cb 0.24 -0.40 -0.01 0.00 -0.31 0.00 0.00 39.34 38.86 1sxb n TYR 108 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1sxb s SER 109 N -0.52 6.47 0.00 7.72 0.15 -0.94 -2.44 113.70 124.13 1sxb s SER 109 Ca 0.37 2.88 0.22 0.00 0.70 0.00 0.00 55.95 60.12 1sxb s SER 109 Cb 0.28 -2.64 0.20 0.00 -1.71 0.00 0.00 66.02 62.15 1sxb s SER 109 CO 0.10 -0.82 1.22 2.30 1.20 0.00 0.00 173.24 177.25 1sxb n ILE 110 N 1.76 0.06 -1.84 6.45 -5.35 -0.69 -4.91 119.36 114.84 1sxb n ILE 110 Ca 0.06 -0.53 -0.41 0.00 -0.27 0.00 0.00 62.75 61.59 1sxb n ILE 110 Cb 0.39 1.41 -0.02 0.00 -1.74 0.00 0.00 39.64 39.68 1sxb n ILE 110 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1sxb s ILE 111 N -1.81 2.22 0.00 7.28 -1.09 -1.26 -1.58 121.20 124.96 1sxb s ILE 111 Ca 0.27 0.18 0.00 0.00 -2.23 0.00 0.00 60.65 58.88 1sxb s ILE 111 Cb 0.19 -3.12 0.00 0.00 -1.58 0.00 0.00 42.46 37.95 1sxb s ILE 111 CO 0.28 0.03 0.00 0.61 -1.23 0.00 0.00 174.94 174.63 1sxb n GLY 112 N 2.17 0.87 0.95 6.18 0.00 0.14 -4.97 105.19 110.52 1sxb n GLY 112 Ca 0.08 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.04 1sxb n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sxb n ARG 113 N -2.12 1.11 -4.99 1.61 1.74 -0.61 -2.30 116.66 111.08 1sxb n ARG 113 Ca 0.00 -0.81 -0.32 0.00 -0.77 0.00 0.00 57.85 55.94 1sxb n ARG 113 Cb 0.00 0.02 -0.16 0.00 -1.02 0.00 0.00 32.46 31.30 1sxb n ARG 113 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1sxb s THR 114 N -0.30 2.33 -0.12 0.55 2.01 -1.18 -0.21 115.64 118.73 1sxb s THR 114 Ca 0.11 -0.92 -0.18 0.00 0.31 0.00 0.00 61.69 61.01 1sxb s THR 114 Cb -0.01 -1.92 -0.04 0.00 0.01 0.00 0.00 72.50 70.54 1sxb s THR 114 CO 0.07 0.55 0.48 -0.32 -0.69 0.00 0.00 174.62 174.71 1sxb s MET 115 N 0.44 4.34 -0.03 4.92 1.75 -0.92 0.28 119.30 130.09 1sxb s MET 115 Ca -0.15 0.46 0.04 0.00 -1.25 0.00 0.00 55.69 54.79 1sxb s MET 115 Cb -0.17 -3.44 -0.00 0.00 2.84 0.00 0.00 34.83 34.06 1sxb s MET 115 CO 0.06 0.16 -0.14 0.08 -0.65 0.00 0.00 175.02 174.53 1sxb s VAL 116 N 0.62 1.12 -0.16 10.11 1.01 -0.08 -2.22 120.40 130.80 1sxb s VAL 116 Ca 0.26 -0.57 -0.03 0.00 0.00 0.00 0.00 61.98 61.65 1sxb s VAL 116 Cb -0.15 -0.96 -0.02 0.00 0.00 0.00 0.00 36.38 35.25 1sxb s VAL 116 CO 0.10 0.33 -0.05 0.54 0.00 0.00 0.00 175.10 176.02 1sxb s VAL 117 N -0.05 3.71 0.33 2.92 0.11 -0.86 -1.93 120.40 124.63 1sxb s VAL 117 Ca -0.00 -0.42 0.07 0.00 -2.93 0.00 0.00 61.98 58.70 1sxb s VAL 117 Cb -0.08 -2.62 -0.02 0.00 -1.53 0.00 0.00 36.38 32.13 1sxb s VAL 117 CO 0.01 0.49 0.36 -1.00 -3.33 0.00 0.00 175.10 171.63 1sxb s HIS 118 N 0.44 3.03 0.21 1.54 3.76 -0.12 -1.11 115.29 123.04 1sxb s HIS 118 Ca -0.05 -0.24 -0.04 0.00 -0.15 0.00 0.00 55.06 54.58 1sxb s HIS 118 Cb -0.15 -1.84 0.18 0.00 1.11 0.00 0.00 32.58 31.89 1sxb s HIS 118 CO 0.03 0.14 1.61 1.49 -0.85 0.00 0.00 174.74 177.16 1sxb h GLU 119 N 1.11 0.72 -5.71 1.40 4.81 -1.11 -3.38 114.58 112.43 1sxb h GLU 119 Ca -0.46 -0.32 -0.61 0.00 -0.13 0.00 0.00 59.36 57.84 1sxb h GLU 119 Cb 1.25 -0.02 -0.12 0.00 0.63 0.00 0.00 28.75 30.50 1sxb h GLU 119 CO 0.56 0.92 -0.56 0.15 -0.73 0.00 0.00 179.01 179.35 1sxb s LYS 120 N -4.49 2.05 0.59 1.92 1.02 0.77 -4.89 119.74 116.71 1sxb s LYS 120 Ca -0.09 -2.05 -0.20 0.00 0.02 0.00 0.00 55.97 53.66 1sxb s LYS 120 Cb 0.13 -1.74 -0.03 0.00 -0.52 0.00 0.00 37.83 35.66 1sxb s LYS 120 CO 0.83 -0.09 1.27 -2.14 -0.92 0.00 0.00 175.35 174.30 1sxb s PRO 121 N -3.78 2.93 -0.10 -1.68 0.02 -1.10 -1.24 135.00 130.05 1sxb s PRO 121 Ca 0.35 2.00 -0.20 0.00 0.02 0.00 0.00 61.00 63.18 1sxb s PRO 121 Cb 0.08 -2.01 -0.04 0.00 0.02 0.00 0.00 34.50 32.54 1sxb s PRO 121 CO 0.19 -1.29 0.55 0.34 -0.33 0.00 0.00 177.00 176.46 1sxb s ASP 122 N -1.36 6.78 0.00 2.53 -1.08 -1.26 -4.01 116.67 118.27 1sxb s ASP 122 Ca 0.77 0.93 0.23 0.00 -0.52 0.00 0.00 52.55 53.96 1sxb s ASP 122 Cb -0.35 -2.33 1.30 0.00 -1.46 0.00 0.00 42.92 40.09 1sxb s ASP 122 CO 0.39 -0.03 1.85 -0.90 0.52 0.00 0.00 175.17 176.99 1sxb n ASP 123 N 3.70 0.21 -1.61 -0.34 5.68 0.15 -4.90 116.55 119.44 1sxb n ASP 123 Ca -0.05 -1.33 -0.16 0.00 -0.50 0.00 0.00 54.79 52.75 1sxb n ASP 123 Cb 0.52 -0.01 -0.03 0.00 -1.14 0.00 0.00 41.12 40.45 1sxb n ASP 123 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1sxb n LEU 124 N -0.71 -1.52 0.00 -2.12 4.77 -1.26 -2.50 117.00 113.65 1sxb n LEU 124 Ca 0.17 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.31 1sxb n LEU 124 Cb 0.11 -2.39 0.00 0.00 -2.33 0.00 0.00 43.42 38.81 1sxb n LEU 124 CO 0.13 -0.45 0.00 0.61 -1.33 0.00 0.00 177.39 176.35 1sxb n GLY 125 N -1.00 0.84 1.23 -0.72 0.00 -1.23 -3.18 105.19 101.14 1sxb n GLY 125 Ca -0.18 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.82 1sxb n GLY 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sxb n ARG 126 N -2.18 2.38 0.03 1.61 1.74 -1.04 -4.64 116.66 114.56 1sxb n ARG 126 Ca 0.00 -3.05 0.13 0.00 -0.77 0.00 0.00 57.85 54.16 1sxb n ARG 126 Cb 0.00 -1.89 0.46 0.00 -1.02 0.00 0.00 32.46 30.01 1sxb n ARG 126 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1sxb n GLY 127 N -0.85 -1.49 2.02 -0.13 0.00 -1.26 -4.94 105.19 98.54 1sxb n GLY 127 Ca 0.32 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1sxb n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sxb n GLY 128 N 1.44 3.14 3.67 -0.02 0.00 -1.26 -5.01 105.19 107.15 1sxb n GLY 128 Ca 0.06 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.87 1sxb n GLY 128 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1sxb n ASN 129 N 0.11 2.28 -0.04 1.61 0.23 -1.26 -5.05 115.26 113.14 1sxb n ASN 129 Ca 0.00 -2.60 -0.15 0.00 -0.53 0.00 0.00 54.58 51.30 1sxb n ASN 129 Cb 0.00 -0.25 -0.04 0.00 -2.08 0.00 0.00 39.78 37.41 1sxb n ASN 129 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 1sxb h GLU 130 N 0.00 0.80 -0.58 -3.83 4.81 -2.00 -3.15 114.58 110.63 1sxb h GLU 130 Ca -0.29 -0.56 -0.02 0.00 -0.13 0.00 0.00 59.36 58.36 1sxb h GLU 130 Cb 1.19 0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.63 1sxb h GLU 130 CO 0.43 1.18 0.28 1.49 -0.73 0.00 0.00 179.01 181.67 1sxb h GLU 131 N 0.59 0.81 -0.82 1.92 4.57 -2.00 -2.13 114.58 117.52 1sxb h GLU 131 Ca -0.01 -0.10 0.16 0.00 -1.18 0.00 0.00 59.36 58.23 1sxb h GLU 131 Cb 1.25 -0.16 -0.10 0.00 -0.16 0.00 0.00 28.75 29.58 1sxb h GLU 131 CO 0.13 0.62 0.37 1.03 -1.18 0.00 0.00 179.01 179.99 1sxb h SER 132 N 0.81 0.38 0.07 1.04 0.87 -1.88 0.22 113.55 115.05 1sxb h SER 132 Ca 0.20 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.87 1sxb h SER 132 Cb 0.08 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.11 1sxb h SER 132 CO -0.03 0.13 0.00 0.35 -0.53 0.00 0.00 176.83 176.75 1sxb n THR 133 N -4.96 0.00 -0.05 2.23 -2.24 -0.81 -1.51 114.28 106.95 1sxb n THR 133 Ca 0.17 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.85 1sxb n THR 133 Cb 0.47 -0.51 -0.03 0.00 -2.10 0.00 0.00 70.33 68.15 1sxb n THR 133 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1sxb n LYS 134 N -1.03 0.20 0.00 -0.78 5.02 0.40 -1.58 118.16 120.39 1sxb n LYS 134 Ca 0.22 0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.60 1sxb n LYS 134 Cb 0.12 -0.83 0.00 0.00 -0.02 0.00 0.00 35.03 34.30 1sxb n LYS 134 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1sxb n THR 135 N -3.43 0.00 -1.01 -0.18 -2.24 0.49 -4.60 114.28 103.31 1sxb n THR 135 Ca -0.18 -0.45 -0.00 0.00 -2.27 0.00 0.00 64.05 61.15 1sxb n THR 135 Cb 0.62 1.05 -0.00 0.00 -2.10 0.00 0.00 70.33 69.90 1sxb n THR 135 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sxb n GLY 136 N 0.45 0.42 2.77 3.38 0.00 -0.57 -3.51 105.19 108.13 1sxb n GLY 136 Ca 0.00 -0.06 -0.20 0.00 0.00 0.00 0.00 46.02 45.76 1sxb n GLY 136 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1sxb n ASN 137 N -0.10 -5.44 0.00 1.61 3.02 -1.26 0.31 115.26 113.41 1sxb n ASN 137 Ca -0.00 -0.13 0.09 0.00 -0.03 0.00 0.00 54.58 54.50 1sxb n ASN 137 Cb 0.10 -4.48 0.39 0.00 -0.61 0.00 0.00 39.78 35.18 1sxb n ASN 137 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sxb n ALA 138 N -2.84 1.83 -0.01 5.41 0.00 -1.23 -4.75 120.51 118.92 1sxb n ALA 138 Ca -0.15 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1sxb n ALA 138 Cb 0.63 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.79 1sxb n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sxb n GLY 139 N 0.33 -1.71 3.72 0.00 0.00 -1.26 -0.17 105.19 106.10 1sxb n GLY 139 Ca 0.05 -1.35 -0.31 0.00 0.00 0.00 0.00 46.02 44.41 1sxb n GLY 139 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sxb s SER 140 N -4.00 3.75 -0.46 1.61 1.04 -1.26 -4.61 113.70 109.77 1sxb s SER 140 Ca 0.00 1.86 -0.21 0.00 0.48 0.00 0.00 55.95 58.08 1sxb s SER 140 Cb 0.00 -2.47 0.03 0.00 0.10 0.00 0.00 66.02 63.68 1sxb s SER 140 CO 0.00 -2.52 0.69 -0.13 0.98 0.00 0.00 173.24 172.26 1sxb s ARG 141 N -4.82 3.28 0.06 4.02 0.52 -1.26 -1.22 118.95 119.53 1sxb s ARG 141 Ca 0.63 -0.39 -0.15 0.00 -0.52 0.00 0.00 55.73 55.30 1sxb s ARG 141 Cb -0.19 -3.98 -0.25 0.00 0.52 0.00 0.00 34.95 31.05 1sxb s ARG 141 CO 0.57 -1.10 1.15 -0.07 0.02 0.00 0.00 175.30 175.87 1sxb h LEU 142 N 9.88 0.88 -7.15 2.53 3.38 -1.43 -3.48 115.31 119.93 1sxb h LEU 142 Ca -0.26 -0.77 -0.07 0.00 0.09 0.00 0.00 57.88 56.88 1sxb h LEU 142 Cb 1.09 -0.27 -0.18 0.00 0.09 0.00 0.00 40.66 41.40 1sxb h LEU 142 CO 0.93 1.54 0.07 0.00 0.09 0.00 0.00 178.44 181.07 1sxb s ALA 143 N -3.20 -1.45 0.26 1.53 0.00 -1.22 -4.20 121.76 113.47 1sxb s ALA 143 Ca -0.10 0.85 -0.18 0.00 0.00 0.00 0.00 51.96 52.53 1sxb s ALA 143 Cb 0.06 0.22 0.01 0.00 0.00 0.00 0.00 23.12 23.41 1sxb s ALA 143 CO 0.92 -0.43 0.61 0.00 0.00 0.00 0.00 175.76 176.85 1sxb s GLY 145 N -2.95 -0.53 0.18 0.00 0.00 -0.94 -1.72 107.32 101.36 1sxb s GLY 145 Ca 0.15 0.93 -0.29 0.00 0.00 0.00 0.00 44.72 45.51 1sxb s GLY 145 CO 0.07 0.42 0.91 0.14 0.00 0.00 0.00 173.10 174.64 1sxb s VAL 146 N -2.91 4.28 -0.28 1.40 1.01 -1.26 -2.17 120.40 120.46 1sxb s VAL 146 Ca 0.00 2.00 -0.28 0.00 0.00 0.00 0.00 61.98 63.71 1sxb s VAL 146 Cb -0.01 -4.29 0.01 0.00 0.00 0.00 0.00 36.38 32.09 1sxb s VAL 146 CO -0.07 0.44 0.99 -0.63 0.00 0.00 0.00 175.10 175.83 1sxb s ILE 147 N -0.75 4.64 0.34 2.22 1.01 0.71 -4.52 121.20 124.85 1sxb s ILE 147 Ca 0.42 1.72 0.10 0.00 0.00 0.00 0.00 60.65 62.89 1sxb s ILE 147 Cb -0.24 -4.31 -0.06 0.00 0.01 0.00 0.00 42.46 37.86 1sxb s ILE 147 CO 0.30 -0.31 -0.06 -0.83 0.00 0.00 0.00 174.94 174.04 1sxb s GLY 148 N 1.47 2.12 0.15 6.18 0.00 -0.72 0.25 107.32 116.77 1sxb s GLY 148 Ca 0.42 -2.02 -0.31 0.00 0.00 0.00 0.00 44.72 42.81 1sxb s GLY 148 CO 0.11 -1.98 1.37 -0.42 0.00 0.00 0.00 173.10 172.18 1sxb s ILE 149 N -2.56 3.24 0.30 0.90 1.01 -1.26 -1.18 121.20 121.64 1sxb s ILE 149 Ca 0.33 0.93 0.10 0.00 0.00 0.00 0.00 60.65 62.01 1sxb s ILE 149 Cb 0.01 -3.60 -0.05 0.00 0.01 0.00 0.00 42.46 38.83 1sxb s ILE 149 CO 0.17 0.10 -0.02 0.00 0.00 0.00 0.00 174.94 175.19 1sxb s ALA 150 N 0.75 3.13 -2.00 9.38 0.00 -0.63 -4.79 121.76 127.60 1sxb s ALA 150 Ca 0.62 -1.82 0.21 0.00 0.00 0.00 0.00 51.96 50.97 1sxb s ALA 150 Cb -0.37 -0.53 1.24 0.00 0.00 0.00 0.00 23.12 23.46 1sxb s ALA 150 CO 0.33 0.18 1.62 1.17 0.00 0.00 0.00 175.76 179.06