#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 -3.87 0.00 -2.24 -1.26 -4.69 114.28 102.22 1sxb n THR 2 Ca 0.00 -0.34 -0.12 0.00 -2.27 0.00 0.00 64.05 61.32 1sxb n THR 2 Cb 0.00 0.92 -0.13 0.00 -2.10 0.00 0.00 70.33 69.02 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 -1.62 0.08 0.09 -0.78 1.02 -1.26 -1.09 119.74 116.17 1sxb s LYS 3 Ca 0.02 -0.04 -0.02 0.00 0.02 0.00 0.00 55.97 55.95 1sxb s LYS 3 Cb 0.04 0.03 -0.04 0.00 -0.52 0.00 0.00 37.83 37.35 1sxb s LYS 3 CO 0.22 -0.01 0.03 0.00 -0.92 0.00 0.00 175.35 174.67 1sxb s ALA 4 N -0.18 0.57 0.07 5.17 0.00 -0.00 -1.63 121.76 125.75 1sxb s ALA 4 Ca -0.02 -1.25 -0.10 0.00 0.00 0.00 0.00 51.96 50.59 1sxb s ALA 4 Cb -0.01 0.52 0.01 0.00 0.00 0.00 0.00 23.12 23.63 1sxb s ALA 4 CO -0.00 -0.43 0.22 0.54 0.00 0.00 0.00 175.76 176.09 1sxb s VAL 5 N -3.96 0.12 -0.13 0.00 0.11 0.16 -0.84 120.40 115.86 1sxb s VAL 5 Ca 0.13 -0.97 -0.07 0.00 -2.93 0.00 0.00 61.98 58.14 1sxb s VAL 5 Cb 0.07 -1.13 0.05 0.00 -1.53 0.00 0.00 36.38 33.85 1sxb s VAL 5 CO -0.06 -0.54 0.31 0.00 -3.33 0.00 0.00 175.10 171.49 1sxb s VAL 7 N 1.14 3.85 -0.13 0.00 1.01 -1.26 -0.86 120.40 124.15 1sxb s VAL 7 Ca -0.08 -0.33 -0.19 0.00 0.00 0.00 0.00 61.98 61.38 1sxb s VAL 7 Cb -0.08 -2.78 -0.04 0.00 0.00 0.00 0.00 36.38 33.48 1sxb s VAL 7 CO -0.09 0.38 0.50 -0.76 0.00 0.00 0.00 175.10 175.14 1sxb s LEU 8 N 1.52 4.25 0.00 3.92 1.43 -0.03 -3.94 118.68 125.83 1sxb s LEU 8 Ca 0.06 0.82 -0.10 0.00 -1.03 0.00 0.00 54.13 53.87 1sxb s LEU 8 Cb -0.15 -2.73 0.01 0.00 0.03 0.00 0.00 46.19 43.35 1sxb s LEU 8 CO 0.00 -0.05 0.21 -0.54 0.23 0.00 0.00 176.35 176.20 1sxb s LYS 9 N 0.85 0.58 0.00 1.70 1.02 -0.62 -2.57 119.74 120.71 1sxb s LYS 9 Ca 0.27 -0.36 0.00 0.00 0.02 0.00 0.00 55.97 55.89 1sxb s LYS 9 Cb -0.15 0.25 0.00 0.00 -0.52 0.00 0.00 37.83 37.41 1sxb s LYS 9 CO 0.11 -0.15 0.00 0.41 -0.92 0.00 0.00 175.35 174.79 1sxb n GLY 10 N 1.26 3.68 0.13 -3.33 0.00 -1.25 -1.30 105.19 104.38 1sxb n GLY 10 Ca -0.22 -1.14 0.14 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.60 0.56 0.00 1.61 8.00 -1.26 -4.87 116.55 119.99 1sxb n ASP 11 Ca 0.00 -0.60 0.00 0.00 0.71 0.00 0.00 54.79 54.90 1sxb n ASP 11 Cb 0.00 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.06 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 1.30 5.38 0.02 0.44 0.00 -1.26 -5.03 105.19 106.04 1sxb n GLY 12 Ca 0.14 -1.88 0.14 0.00 0.00 0.00 0.00 46.02 44.41 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 0.00 0.22 -2.23 1.61 -0.04 -1.26 -4.90 135.00 128.40 1sxb n PRO 13 Ca 0.00 -0.05 -0.42 0.00 -0.04 0.00 0.00 63.50 62.99 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 -2.81 3.67 0.09 0.52 1.01 -1.26 -4.46 120.40 117.15 1sxb s VAL 14 Ca 0.19 1.09 -0.09 0.00 0.00 0.00 0.00 61.98 63.17 1sxb s VAL 14 Cb 0.19 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.87 1sxb s VAL 14 CO 0.53 0.02 0.20 0.00 0.00 0.00 0.00 175.10 175.85 1sxb s GLN 15 N 2.13 0.85 -0.05 2.72 -2.07 -0.89 -3.90 119.66 118.44 1sxb s GLN 15 Ca 0.64 -0.93 -0.31 0.00 -1.82 0.00 0.00 55.36 52.94 1sxb s GLN 15 Cb -0.32 0.35 0.13 0.00 -1.09 0.00 0.00 33.01 32.07 1sxb s GLN 15 CO 0.27 -0.27 1.36 0.20 -1.32 0.00 0.00 175.29 175.53 1sxb s GLY 16 N -2.82 -0.40 -0.09 2.60 0.00 -1.06 -0.74 107.32 104.81 1sxb s GLY 16 Ca 0.04 0.67 0.00 0.00 0.00 0.00 0.00 44.72 45.44 1sxb s GLY 16 CO -0.11 1.42 -0.07 -1.59 0.00 0.00 0.00 173.10 172.75 1sxb s THR 17 N -2.18 0.93 -0.09 0.90 2.01 -0.95 -0.85 115.64 115.40 1sxb s THR 17 Ca 0.18 -0.27 0.01 0.00 0.31 0.00 0.00 61.69 61.93 1sxb s THR 17 Cb 0.05 -0.94 -0.02 0.00 0.01 0.00 0.00 72.50 71.60 1sxb s THR 17 CO -0.05 0.34 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.46 1sxb s ILE 18 N 1.45 3.08 0.04 1.82 -1.09 -0.04 -2.81 121.20 123.65 1sxb s ILE 18 Ca -0.01 -0.68 0.03 0.00 -2.23 0.00 0.00 60.65 57.77 1sxb s ILE 18 Cb -0.13 -2.26 -0.04 0.00 -1.58 0.00 0.00 42.46 38.45 1sxb s ILE 18 CO -0.05 0.55 0.00 -1.00 -1.23 0.00 0.00 174.94 173.22 1sxb s HIS 19 N -0.14 3.04 -0.04 3.97 3.76 0.15 -1.09 115.29 124.93 1sxb s HIS 19 Ca -0.01 0.03 0.03 0.00 -0.15 0.00 0.00 55.06 54.96 1sxb s HIS 19 Cb -0.14 -1.61 0.00 0.00 1.11 0.00 0.00 32.58 31.95 1sxb s HIS 19 CO 0.03 0.47 -0.14 -0.06 -0.85 0.00 0.00 174.74 174.20 1sxb s PHE 20 N -1.20 1.39 -0.03 1.40 0.40 -0.02 -1.16 117.98 118.76 1sxb s PHE 20 Ca 0.23 -0.39 -0.01 0.00 -0.60 0.00 0.00 56.93 56.16 1sxb s PHE 20 Cb -0.12 -0.95 0.03 0.00 0.51 0.00 0.00 43.02 42.49 1sxb s PHE 20 CO 0.14 -0.14 0.05 -2.00 0.70 0.00 0.00 175.22 173.97 1sxb s GLU 21 N 0.13 0.00 -0.38 0.44 2.12 -0.51 -0.82 118.70 119.68 1sxb s GLU 21 Ca -0.04 0.20 -0.27 0.00 0.36 0.00 0.00 54.97 55.22 1sxb s GLU 21 Cb -0.10 -0.18 0.02 0.00 0.26 0.00 0.00 34.13 34.12 1sxb s GLU 21 CO 0.01 -0.14 0.99 0.00 -0.54 0.00 0.00 175.26 175.59 1sxb s ALA 22 N 0.89 3.38 -0.27 6.30 0.00 -0.25 -0.91 121.76 130.90 1sxb s ALA 22 Ca -0.07 -0.38 0.02 0.00 0.00 0.00 0.00 51.96 51.52 1sxb s ALA 22 Cb -0.10 -3.62 0.07 0.00 0.00 0.00 0.00 23.12 19.47 1sxb s ALA 22 CO -0.03 -1.69 -0.04 0.15 0.00 0.00 0.00 175.76 174.14 1sxb s LYS 23 N 3.67 1.76 6.87 0.00 1.02 -0.86 -4.99 119.74 127.20 1sxb s LYS 23 Ca 0.41 -1.30 0.00 0.00 0.02 0.00 0.00 55.97 55.10 1sxb s LYS 23 Cb -0.11 -2.78 0.00 0.00 -0.52 0.00 0.00 37.83 34.41 1sxb s LYS 23 CO 0.20 -0.68 0.00 0.41 -0.92 0.00 0.00 175.35 174.36 1sxb n GLY 24 N 4.51 1.79 1.21 -3.33 0.00 -1.26 -2.02 105.19 106.09 1sxb n GLY 24 Ca -0.09 -0.43 0.11 0.00 0.00 0.00 0.00 46.02 45.61 1sxb n GLY 24 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sxb n ASP 25 N 6.03 3.65 -4.73 1.61 8.00 -1.26 -4.98 116.55 124.87 1sxb n ASP 25 Ca 0.00 -1.99 -0.31 0.00 0.71 0.00 0.00 54.79 53.20 1sxb n ASP 25 Cb 0.00 -0.35 -0.08 0.00 -0.02 0.00 0.00 41.12 40.66 1sxb n ASP 25 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1sxb s THR 26 N -1.23 1.43 -0.10 -3.53 -1.32 -0.86 -5.02 115.64 105.01 1sxb s THR 26 Ca 0.42 -1.98 0.03 0.00 -1.21 0.00 0.00 61.69 58.96 1sxb s THR 26 Cb 0.23 -2.41 0.00 0.00 -1.51 0.00 0.00 72.50 68.82 1sxb s THR 26 CO 0.31 0.00 -0.22 -0.69 -2.21 0.00 0.00 174.62 171.82 1sxb s VAL 27 N -2.82 1.91 -0.24 5.08 1.01 -1.21 -2.04 120.40 122.09 1sxb s VAL 27 Ca 0.15 -0.92 -0.11 0.00 0.00 0.00 0.00 61.98 61.10 1sxb s VAL 27 Cb 0.04 -1.67 -0.05 0.00 0.00 0.00 0.00 36.38 34.70 1sxb s VAL 27 CO 0.08 0.53 0.18 -0.69 0.00 0.00 0.00 175.10 175.20 1sxb s VAL 28 N 0.49 5.34 -0.26 2.92 1.01 -0.09 -2.02 120.40 127.80 1sxb s VAL 28 Ca -0.16 0.23 -0.05 0.00 0.00 0.00 0.00 61.98 62.00 1sxb s VAL 28 Cb -0.17 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.69 1sxb s VAL 28 CO 0.06 0.33 0.01 -0.69 0.00 0.00 0.00 175.10 174.82 1sxb s VAL 29 N 1.12 3.63 0.19 2.92 1.01 -0.23 -1.42 120.40 127.63 1sxb s VAL 29 Ca 0.09 -0.60 0.02 0.00 0.00 0.00 0.00 61.98 61.48 1sxb s VAL 29 Cb -0.14 -2.77 -0.05 0.00 0.00 0.00 0.00 36.38 33.42 1sxb s VAL 29 CO 0.05 0.25 0.00 0.42 0.00 0.00 0.00 175.10 175.83 1sxb s THR 30 N 1.48 0.77 -5.00 3.92 -4.23 -0.31 -0.93 115.64 111.34 1sxb s THR 30 Ca 0.04 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.55 1sxb s THR 30 Cb -0.16 -2.21 0.00 0.00 1.34 0.00 0.00 72.50 71.48 1sxb s THR 30 CO -0.00 -0.41 0.00 0.61 -0.54 0.00 0.00 174.62 174.28 1sxb n GLY 31 N -0.30 0.06 3.37 3.99 0.00 -0.92 -0.68 105.19 110.73 1sxb n GLY 31 Ca -0.06 -1.54 -0.14 0.00 0.00 0.00 0.00 46.02 44.28 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 -0.03 1.61 1.04 -1.12 -0.85 113.70 109.94 1sxb s SER 32 Ca 0.00 0.19 0.01 0.00 0.48 0.00 0.00 55.95 56.63 1sxb s SER 32 Cb 0.00 0.46 0.02 0.00 0.10 0.00 0.00 66.02 66.60 1sxb s SER 32 CO 0.00 -0.66 -0.04 -0.63 0.98 0.00 0.00 173.24 172.89 1sxb s ILE 33 N -2.15 0.48 0.37 -1.02 1.01 0.06 -2.25 121.20 117.71 1sxb s ILE 33 Ca -0.07 -0.12 0.08 0.00 0.00 0.00 0.00 60.65 60.54 1sxb s ILE 33 Cb -0.01 -0.50 -0.06 0.00 0.01 0.00 0.00 42.46 41.91 1sxb s ILE 33 CO 0.00 0.20 0.08 0.42 0.00 0.00 0.00 174.94 175.64 1sxb s THR 34 N 0.73 2.47 0.00 2.92 -4.23 0.08 -0.20 115.64 117.41 1sxb s THR 34 Ca -0.09 -1.86 0.00 0.00 -1.18 0.00 0.00 61.69 58.56 1sxb s THR 34 Cb -0.12 -2.91 0.00 0.00 1.34 0.00 0.00 72.50 70.81 1sxb s THR 34 CO -0.00 -0.10 0.00 0.61 -0.54 0.00 0.00 174.62 174.59 1sxb n GLY 35 N -1.07 0.62 3.90 3.99 0.00 -0.89 -2.10 105.19 109.63 1sxb n GLY 35 Ca -0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 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 3.80 0.60 0.99 1.43 -0.45 -4.32 118.68 120.72 1sxb s LEU 36 Ca 0.00 0.87 -0.13 0.00 -1.03 0.00 0.00 54.13 53.83 1sxb s LEU 36 Cb 0.00 -3.77 -0.04 0.00 0.03 0.00 0.00 46.19 42.41 1sxb s LEU 36 CO 0.00 -0.43 1.03 0.42 0.23 0.00 0.00 176.35 177.60 1sxb s THR 37 N -2.48 4.38 0.45 5.49 -4.23 -1.26 -3.78 115.64 114.21 1sxb s THR 37 Ca 0.47 0.94 -0.25 0.00 -1.18 0.00 0.00 61.69 61.66 1sxb s THR 37 Cb -0.10 -3.66 -0.08 0.00 1.34 0.00 0.00 72.50 70.00 1sxb s THR 37 CO 0.38 -0.85 1.39 1.21 -0.54 0.00 0.00 174.62 176.21 1sxb n GLU 38 N -2.35 2.14 0.00 3.99 2.13 -1.26 -4.57 120.64 120.72 1sxb n GLU 38 Ca 0.07 0.76 0.00 0.00 0.66 0.00 0.00 57.16 58.65 1sxb n GLU 38 Cb 0.54 -2.57 0.00 0.00 0.27 0.00 0.00 31.44 29.67 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 0.64 -1.08 3.77 8.31 0.00 -0.15 -4.88 105.19 111.80 1sxb n GLY 39 Ca 0.06 -2.16 -0.38 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 -3.62 7.27 -0.02 1.61 1.11 -1.26 -0.04 116.67 121.72 1sxb s ASP 40 Ca 0.00 1.99 0.00 0.00 0.18 0.00 0.00 52.55 54.73 1sxb s ASP 40 Cb 0.00 -2.60 0.03 0.00 1.07 0.00 0.00 42.92 41.42 1sxb s ASP 40 CO 0.00 -0.12 0.01 -1.00 1.18 0.00 0.00 175.17 175.24 1sxb s HIS 41 N -1.43 0.21 0.34 4.23 3.76 0.38 -2.73 115.29 120.05 1sxb s HIS 41 Ca 0.49 0.04 -0.28 0.00 -0.15 0.00 0.00 55.06 55.15 1sxb s HIS 41 Cb -0.24 -0.33 -0.12 0.00 1.11 0.00 0.00 32.58 33.00 1sxb s HIS 41 CO 0.30 -0.11 1.36 0.41 -0.85 0.00 0.00 174.74 175.85 1sxb n GLY 42 N 4.07 0.78 2.76 -2.22 0.00 -0.60 -1.22 105.19 108.75 1sxb n GLY 42 Ca -0.26 0.34 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 1sxb n GLY 42 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1sxb s PHE 43 N -0.96 1.28 0.05 1.61 5.36 -0.11 -0.97 117.98 124.23 1sxb s PHE 43 Ca 0.56 -1.11 -0.01 0.00 -0.96 0.00 0.00 56.93 55.42 1sxb s PHE 43 Cb -0.55 -1.20 -0.04 0.00 -0.34 0.00 0.00 43.02 40.89 1sxb s PHE 43 CO 0.61 -0.68 -0.03 -1.01 -1.46 0.00 0.00 175.22 172.65 1sxb s HIS 44 N 1.77 0.49 -0.25 10.12 3.76 -0.66 -2.90 115.29 127.62 1sxb s HIS 44 Ca 0.00 -1.02 -0.15 0.00 -0.15 0.00 0.00 55.06 53.74 1sxb s HIS 44 Cb -0.17 -0.37 -0.04 0.00 1.11 0.00 0.00 32.58 33.11 1sxb s HIS 44 CO -0.11 -0.36 0.39 0.08 -0.85 0.00 0.00 174.74 173.88 1sxb s VAL 45 N -3.70 5.17 0.26 -0.90 1.01 -0.02 -1.14 120.40 121.08 1sxb s VAL 45 Ca 0.05 0.63 -0.07 0.00 0.00 0.00 0.00 61.98 62.59 1sxb s VAL 45 Cb 0.06 -3.71 -0.06 0.00 0.00 0.00 0.00 36.38 32.67 1sxb s VAL 45 CO -0.09 0.18 0.55 -1.00 0.00 0.00 0.00 175.10 174.74 1sxb s HIS 46 N 1.86 3.45 0.14 5.22 3.76 0.19 -1.71 115.29 128.21 1sxb s HIS 46 Ca 0.17 0.76 -0.16 0.00 -0.15 0.00 0.00 55.06 55.68 1sxb s HIS 46 Cb -0.15 -2.18 0.01 0.00 1.11 0.00 0.00 32.58 31.37 1sxb s HIS 46 CO 0.09 0.22 1.73 0.37 -0.85 0.00 0.00 174.74 176.30 1sxb h GLN 47 N 2.12 0.61 -5.71 1.40 4.15 -0.58 -2.90 115.11 114.21 1sxb h GLN 47 Ca -0.47 -0.08 -0.66 0.00 0.77 0.00 0.00 58.65 58.21 1sxb h GLN 47 Cb 1.18 -0.11 -0.07 0.00 0.21 0.00 0.00 27.48 28.69 1sxb h GLN 47 CO 0.68 0.51 -0.43 -0.06 -1.93 0.00 0.00 178.83 177.60 1sxb s PHE 48 N -5.76 3.62 -0.84 3.99 0.08 -0.35 -4.67 117.98 114.05 1sxb s PHE 48 Ca -0.13 0.60 -0.03 0.00 0.12 0.00 0.00 56.93 57.49 1sxb s PHE 48 Cb 0.11 -1.99 0.20 0.00 -0.57 0.00 0.00 43.02 40.77 1sxb s PHE 48 CO 0.75 0.72 2.31 0.41 -0.10 0.00 0.00 175.22 179.31 1sxb n GLY 49 N 1.92 5.19 3.19 4.36 0.00 -0.98 -3.59 105.19 115.27 1sxb n GLY 49 Ca -0.19 -2.22 -0.36 0.00 0.00 0.00 0.00 46.02 43.25 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 -0.38 5.04 -0.24 1.61 -1.08 -1.26 -4.95 116.67 115.41 1sxb s ASP 50 Ca 0.52 -1.34 0.14 0.00 -0.52 0.00 0.00 52.55 51.35 1sxb s ASP 50 Cb 0.33 -1.76 0.63 0.00 -1.46 0.00 0.00 42.92 40.66 1sxb s ASP 50 CO -0.24 -0.31 1.58 0.59 0.52 0.00 0.00 175.17 177.31 1sxb n ASN 51 N 4.66 4.28 0.11 -0.34 4.13 -1.26 -2.88 115.26 123.97 1sxb n ASN 51 Ca -0.12 -3.15 0.05 0.00 1.68 0.00 0.00 54.58 53.04 1sxb n ASN 51 Cb 0.43 -0.63 0.49 0.00 -1.54 0.00 0.00 39.78 38.53 1sxb n ASN 51 CO 0.00 0.00 0.00 0.71 0.28 0.00 0.00 177.26 178.25 1sxb h THR 52 N 2.30 1.08 -1.73 3.41 1.35 -1.93 -2.54 112.91 114.85 1sxb h THR 52 Ca 0.10 -0.24 -0.60 0.00 -0.55 0.00 0.00 66.41 65.11 1sxb h THR 52 Cb 1.80 0.81 -0.41 0.00 -1.73 0.00 0.00 68.15 68.62 1sxb h THR 52 CO 0.42 0.09 -0.58 0.00 -0.25 0.00 0.00 175.52 175.21 1sxb n GLN 53 N -4.46 3.39 0.00 4.72 6.02 -1.26 -5.04 117.38 120.74 1sxb n GLN 53 Ca 0.00 -4.53 0.00 0.00 -0.01 0.00 0.00 57.00 52.46 1sxb n GLN 53 Cb 0.11 -2.25 0.00 0.00 1.02 0.00 0.00 30.24 29.12 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 -0.43 0.93 0.16 1.08 0.00 -0.96 -3.01 105.19 102.96 1sxb n GLY 54 Ca 0.38 -0.69 0.13 0.00 0.00 0.00 0.00 46.02 45.85 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 1.25 0.00 0.00 2.02 -1.87 -2.59 112.91 111.73 1sxb h THR 56 Ca 0.00 -0.60 0.00 0.00 0.77 0.00 0.00 66.41 66.58 1sxb h THR 56 Cb 0.55 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.01 1sxb h THR 56 CO 0.00 0.28 0.00 -1.54 0.37 0.00 0.00 175.52 174.63 1sxb n SER 57 N -4.37 0.00 0.15 4.18 3.41 -1.24 -3.27 113.62 112.49 1sxb n SER 57 Ca 0.09 -1.00 0.12 0.00 -0.26 0.00 0.00 58.87 57.82 1sxb n SER 57 Cb 0.08 0.00 0.55 0.00 -0.26 0.00 0.00 64.21 64.58 1sxb n SER 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sxb h ALA 58 N 3.72 1.00 -0.18 7.33 0.00 -1.32 -3.40 119.26 126.41 1sxb h ALA 58 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1sxb h ALA 58 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1sxb h ALA 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1sxb n GLY 59 N -0.32 -1.38 1.40 0.00 0.00 -1.20 -1.21 105.19 102.48 1sxb n GLY 59 Ca 0.01 -1.28 -0.10 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 -0.08 -0.26 -2.31 1.61 -0.04 -1.26 -4.62 135.00 128.04 1sxb n PRO 60 Ca 0.00 -0.80 -0.40 0.00 -0.04 0.00 0.00 63.50 62.26 1sxb n PRO 60 Cb 0.00 -0.43 -0.03 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 -1.78 3.23 -0.01 0.54 3.76 -1.26 -0.31 115.29 119.46 1sxb s HIS 61 Ca 0.26 1.57 -0.32 0.00 -0.15 0.00 0.00 55.06 56.42 1sxb s HIS 61 Cb -0.01 -3.43 -0.10 0.00 1.11 0.00 0.00 32.58 30.15 1sxb s HIS 61 CO 0.18 -1.20 1.92 0.34 -0.85 0.00 0.00 174.74 175.13 1sxb n PHE 62 N 0.63 2.43 -3.01 1.40 7.35 -0.69 -4.51 117.46 121.06 1sxb n PHE 62 Ca 0.01 -0.19 -0.17 0.00 -0.76 0.00 0.00 57.45 56.34 1sxb n PHE 62 Cb 0.45 -2.73 -0.02 0.00 0.35 0.00 0.00 39.48 37.52 1sxb n PHE 62 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 1sxb n ASN 63 N 6.94 -1.05 0.30 -2.13 5.15 -1.26 -1.93 115.26 121.28 1sxb n ASN 63 Ca 0.21 -2.96 0.19 0.00 -0.60 0.00 0.00 54.58 51.42 1sxb n ASN 63 Cb 0.35 0.37 0.89 0.00 -0.53 0.00 0.00 39.78 40.86 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 3.95 0.00 -0.64 1.20 0.13 -1.95 -2.55 132.00 132.14 1sxb h PRO 64 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1sxb h PRO 64 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 1sxb h PRO 64 CO 0.40 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.45 1sxb n LEU 65 N -3.05 3.71 -3.82 1.56 4.77 -1.26 -4.99 117.00 113.92 1sxb n LEU 65 Ca -0.01 -1.80 -0.31 0.00 -0.03 0.00 0.00 56.01 53.86 1sxb n LEU 65 Cb 0.21 -0.42 0.02 0.00 -2.33 0.00 0.00 43.42 40.89 1sxb n LEU 65 CO 0.24 0.90 -0.14 -1.20 -1.33 0.00 0.00 177.39 175.86 1sxb n SER 66 N 1.55 -3.36 -4.94 -1.43 7.64 -0.96 -5.02 113.62 107.09 1sxb n SER 66 Ca 0.23 -1.05 -0.24 0.00 1.01 0.00 0.00 58.87 58.82 1sxb n SER 66 Cb 0.60 -3.07 0.01 0.00 -1.01 0.00 0.00 64.21 60.75 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 -6.35 2.29 0.51 1.43 1.02 -1.26 -5.13 119.74 112.24 1sxb s LYS 67 Ca 0.31 -1.87 -0.00 0.00 0.02 0.00 0.00 55.97 54.43 1sxb s LYS 67 Cb -0.12 -2.29 0.01 0.00 -0.52 0.00 0.00 37.83 34.91 1sxb s LYS 67 CO 0.88 -0.66 0.75 0.15 -0.92 0.00 0.00 175.35 175.55 1sxb s LYS 68 N -4.39 2.83 0.52 1.68 1.02 -1.26 -4.77 119.74 115.37 1sxb s LYS 68 Ca 0.44 -0.52 -0.20 0.00 0.02 0.00 0.00 55.97 55.71 1sxb s LYS 68 Cb -0.03 -2.48 -0.07 0.00 -0.52 0.00 0.00 37.83 34.72 1sxb s LYS 68 CO 0.27 -0.51 1.08 -1.58 -0.92 0.00 0.00 175.35 173.69 1sxb s HIS 69 N -2.71 2.83 0.11 3.18 5.65 -0.43 -3.38 115.29 120.54 1sxb s HIS 69 Ca 0.52 1.56 -0.03 0.00 0.25 0.00 0.00 55.06 57.36 1sxb s HIS 69 Cb -0.10 -3.17 0.01 0.00 -1.18 0.00 0.00 32.58 28.14 1sxb s HIS 69 CO 0.39 -1.21 0.20 0.41 -0.65 0.00 0.00 174.74 173.88 1sxb n GLY 70 N -0.08 1.96 3.93 1.59 0.00 -1.25 -4.34 105.19 107.00 1sxb n GLY 70 Ca 0.10 -1.16 -0.25 0.00 0.00 0.00 0.00 46.02 44.72 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 -1.57 1.65 0.51 -0.02 0.00 -1.22 -4.60 107.32 102.06 1sxb s GLY 71 Ca 0.05 -0.90 0.21 0.00 0.00 0.00 0.00 44.72 44.09 1sxb s GLY 71 CO 0.04 -0.61 2.01 -0.56 0.00 0.00 0.00 173.10 173.98 1sxb h PRO 72 N -0.11 0.08 -0.00 2.90 0.13 -1.89 -1.41 132.00 131.70 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 0.59 0.06 -0.25 1.63 -0.23 0.00 0.00 178.00 179.80 1sxb n LYS 73 N -4.42 0.61 -2.49 0.86 5.02 -1.26 -4.90 118.16 111.57 1sxb n LYS 73 Ca 0.08 -0.31 -0.27 0.00 -2.02 0.00 0.00 58.31 55.79 1sxb n LYS 73 Cb 0.48 -1.49 0.01 0.00 -0.02 0.00 0.00 35.03 34.01 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 -2.61 5.95 0.07 4.39 1.01 -0.53 -4.97 116.67 119.98 1sxb s ASP 74 Ca 0.23 0.85 -0.15 0.00 0.71 0.00 0.00 52.55 54.19 1sxb s ASP 74 Cb 0.19 -2.00 -0.22 0.00 1.01 0.00 0.00 42.92 41.89 1sxb s ASP 74 CO 0.54 -0.82 1.19 -0.08 0.21 0.00 0.00 175.17 176.21 1sxb h GLU 75 N 0.02 0.67 -4.73 8.23 4.57 -1.90 -3.39 114.58 118.05 1sxb h GLU 75 Ca -0.46 -0.70 -0.70 0.00 -1.18 0.00 0.00 59.36 56.32 1sxb h GLU 75 Cb 1.23 0.19 -0.20 0.00 -0.16 0.00 0.00 28.75 29.82 1sxb h GLU 75 CO 0.61 1.29 0.06 -2.00 -1.18 0.00 0.00 179.01 177.79 1sxb s GLU 76 N -3.35 3.06 0.20 1.92 2.56 -1.26 -4.95 118.70 116.88 1sxb s GLU 76 Ca -0.10 -1.21 -0.20 0.00 0.00 0.00 0.00 54.97 53.46 1sxb s GLU 76 Cb 0.07 -4.21 0.04 0.00 2.00 0.00 0.00 34.13 32.02 1sxb s GLU 76 CO 0.91 -1.41 0.59 -0.98 -0.56 0.00 0.00 175.26 173.80 1sxb s ARG 77 N 2.57 1.44 0.40 4.30 1.70 -1.22 -3.76 118.95 124.39 1sxb s ARG 77 Ca 0.12 -0.78 -0.11 0.00 -0.47 0.00 0.00 55.73 54.49 1sxb s ARG 77 Cb -0.23 0.56 -0.07 0.00 -0.57 0.00 0.00 34.95 34.65 1sxb s ARG 77 CO 0.08 -0.63 0.77 -1.01 -1.08 0.00 0.00 175.30 173.43 1sxb s HIS 78 N -3.85 3.46 0.42 5.89 3.76 -1.23 -4.58 115.29 119.16 1sxb s HIS 78 Ca 0.07 1.07 0.10 0.00 -0.15 0.00 0.00 55.06 56.15 1sxb s HIS 78 Cb -0.02 -2.46 0.94 0.00 1.11 0.00 0.00 32.58 32.14 1sxb s HIS 78 CO -0.04 -0.10 2.02 0.28 -0.85 0.00 0.00 174.74 176.06 1sxb h VAL 79 N 1.16 1.01 0.00 -0.90 2.07 -1.85 -2.04 116.25 115.70 1sxb h VAL 79 Ca -0.47 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 66.88 1sxb h VAL 79 Cb 1.19 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 1sxb h VAL 79 CO 0.64 0.09 0.00 0.61 0.02 0.00 0.00 177.57 178.93 1sxb n GLY 80 N -1.49 -0.96 3.56 2.17 0.00 -0.81 -4.55 105.19 103.10 1sxb n GLY 80 Ca 0.06 -0.09 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.58 6.16 -0.25 1.61 1.01 -0.77 -0.84 116.67 121.01 1sxb s ASP 81 Ca 0.19 -0.86 0.13 0.00 0.71 0.00 0.00 52.55 52.72 1sxb s ASP 81 Cb 0.14 -2.56 0.81 0.00 1.01 0.00 0.00 42.92 42.31 1sxb s ASP 81 CO 0.31 -1.81 1.76 0.18 0.21 0.00 0.00 175.17 175.83 1sxb n LEU 82 N 9.78 5.82 0.00 1.23 4.77 -1.14 -3.86 117.00 133.60 1sxb n LEU 82 Ca 0.21 -3.00 0.00 0.00 -0.03 0.00 0.00 56.01 53.19 1sxb n LEU 82 Cb 0.50 -0.70 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 1sxb n LEU 82 CO 0.68 0.66 0.00 0.61 -1.33 0.00 0.00 177.39 178.01 1sxb n GLY 83 N 0.46 1.23 3.35 -0.72 0.00 -1.25 -4.78 105.19 103.49 1sxb n GLY 83 Ca 0.30 -0.72 -0.27 0.00 0.00 0.00 0.00 46.02 45.33 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 3.02 0.13 1.61 0.01 -1.26 -0.94 114.94 113.51 1sxb s ASN 84 Ca 0.00 -0.73 0.04 0.00 -0.71 0.00 0.00 52.86 51.47 1sxb s ASN 84 Cb 0.00 -0.19 -0.04 0.00 0.41 0.00 0.00 41.25 41.43 1sxb s ASN 84 CO 0.00 0.13 0.09 0.68 -1.51 0.00 0.00 177.10 176.50 1sxb s VAL 85 N -1.11 4.41 -0.17 1.60 -7.23 -0.36 -4.87 120.40 112.67 1sxb s VAL 85 Ca 0.11 -0.99 0.01 0.00 -1.81 0.00 0.00 61.98 59.30 1sxb s VAL 85 Cb -0.10 -3.19 0.02 0.00 0.56 0.00 0.00 36.38 33.67 1sxb s VAL 85 CO 0.05 -0.01 -0.20 -0.89 -0.31 0.00 0.00 175.10 173.75 1sxb s THR 86 N -1.59 2.10 0.06 5.32 2.01 -1.26 -0.47 115.64 121.81 1sxb s THR 86 Ca 0.30 -0.93 -0.18 0.00 0.31 0.00 0.00 61.69 61.18 1sxb s THR 86 Cb -0.11 -1.87 -0.06 0.00 0.01 0.00 0.00 72.50 70.46 1sxb s THR 86 CO 0.22 0.54 0.54 0.00 -0.69 0.00 0.00 174.62 175.23 1sxb s ALA 87 N 1.21 3.61 0.77 7.40 0.00 0.94 -4.18 121.76 131.51 1sxb s ALA 87 Ca 0.03 -0.01 -0.03 0.00 0.00 0.00 0.00 51.96 51.94 1sxb s ALA 87 Cb -0.13 -2.59 0.06 0.00 0.00 0.00 0.00 23.12 20.46 1sxb s ALA 87 CO -0.11 0.41 0.40 -0.40 0.00 0.00 0.00 175.76 176.06 1sxb n ASP 88 N 1.77 0.23 -0.33 0.00 5.68 -0.23 -0.98 116.55 122.71 1sxb n ASP 88 Ca -0.11 -1.27 0.18 0.00 -0.50 0.00 0.00 54.79 53.09 1sxb n ASP 88 Cb 0.51 -0.29 0.42 0.00 -1.14 0.00 0.00 41.12 40.62 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 0.55 -0.00 0.11 1.63 -1.97 0.71 116.57 117.60 1sxb h LYS 89 Ca -0.13 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.64 1sxb h LYS 89 Cb 0.41 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 31.92 1sxb h LYS 89 CO 0.11 0.37 0.00 0.09 -3.45 0.00 0.00 179.45 176.57 1sxb n ASN 90 N -4.70 0.28 -0.07 4.20 3.02 -1.26 -4.83 115.26 111.90 1sxb n ASN 90 Ca 0.24 -1.10 -0.01 0.00 -0.03 0.00 0.00 54.58 53.68 1sxb n ASN 90 Cb 0.71 -0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.88 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 1.03 0.47 3.55 7.41 0.00 0.24 -4.69 105.19 113.20 1sxb n GLY 91 Ca 0.23 -0.73 -0.35 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.02 4.41 -0.14 1.61 1.01 -1.26 -1.35 120.40 122.67 1sxb s VAL 92 Ca 0.00 -0.16 -0.00 0.00 0.00 0.00 0.00 61.98 61.82 1sxb s VAL 92 Cb 0.00 -2.99 -0.01 0.00 0.00 0.00 0.00 36.38 33.38 1sxb s VAL 92 CO 0.00 0.44 -0.14 0.00 0.00 0.00 0.00 175.10 175.40 1sxb s ALA 93 N 0.70 2.57 -0.20 5.51 0.00 0.72 -1.06 121.76 130.00 1sxb s ALA 93 Ca 0.02 -0.96 -0.11 0.00 0.00 0.00 0.00 51.96 50.91 1sxb s ALA 93 Cb -0.14 -1.23 -0.05 0.00 0.00 0.00 0.00 23.12 21.70 1sxb s ALA 93 CO 0.02 0.11 0.16 0.42 0.00 0.00 0.00 175.76 176.47 1sxb s ILE 94 N 0.59 5.38 -0.22 0.00 -1.09 -1.26 -0.76 121.20 123.85 1sxb s ILE 94 Ca -0.08 0.24 -0.14 0.00 -2.23 0.00 0.00 60.65 58.44 1sxb s ILE 94 Cb -0.16 -3.50 -0.04 0.00 -1.58 0.00 0.00 42.46 37.18 1sxb s ILE 94 CO 0.03 0.41 0.33 -0.69 -1.23 0.00 0.00 174.94 173.79 1sxb s VAL 95 N 0.52 5.24 -0.37 2.92 1.01 -0.03 -4.77 120.40 124.93 1sxb s VAL 95 Ca 0.09 0.55 0.03 0.00 0.00 0.00 0.00 61.98 62.64 1sxb s VAL 95 Cb -0.12 -3.66 0.15 0.00 0.00 0.00 0.00 36.38 32.75 1sxb s VAL 95 CO 0.00 0.27 0.36 -0.62 0.00 0.00 0.00 175.10 175.11 1sxb s ASP 96 N 1.10 1.36 0.10 3.32 -1.08 -1.24 -2.15 116.67 118.08 1sxb s ASP 96 Ca 0.15 -1.62 0.06 0.00 -0.52 0.00 0.00 52.55 50.62 1sxb s ASP 96 Cb -0.14 0.46 -0.03 0.00 -1.46 0.00 0.00 42.92 41.74 1sxb s ASP 96 CO 0.07 -0.27 -0.15 -0.63 0.52 0.00 0.00 175.17 174.72 1sxb s ILE 97 N 1.42 1.26 -0.08 4.11 1.01 -0.10 -5.00 121.20 123.82 1sxb s ILE 97 Ca 0.17 -1.50 0.04 0.00 0.00 0.00 0.00 60.65 59.35 1sxb s ILE 97 Cb -0.16 -1.31 0.00 0.00 0.01 0.00 0.00 42.46 41.00 1sxb s ILE 97 CO -0.04 -0.29 -0.19 -0.69 0.00 0.00 0.00 174.94 173.72 1sxb s VAL 98 N -1.63 1.69 -0.01 2.92 1.01 -1.26 -1.06 120.40 122.05 1sxb s VAL 98 Ca 0.03 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.23 1sxb s VAL 98 Cb -0.08 -1.48 -0.01 0.00 0.00 0.00 0.00 36.38 34.82 1sxb s VAL 98 CO 0.03 0.48 -0.08 -0.62 0.00 0.00 0.00 175.10 174.90 1sxb s ASP 99 N 0.39 1.00 0.00 3.32 2.15 -0.85 -5.00 116.67 117.67 1sxb s ASP 99 Ca -0.15 -0.15 0.25 0.00 0.43 0.00 0.00 52.55 52.93 1sxb s ASP 99 Cb -0.16 -0.13 0.51 0.00 -0.30 0.00 0.00 42.92 42.83 1sxb s ASP 99 CO 0.06 0.10 1.42 -0.81 -0.17 0.00 0.00 175.17 175.77 1sxb n PRO 100 N 2.93 0.01 -0.12 4.34 -0.04 -1.26 -3.34 135.00 137.52 1sxb n PRO 100 Ca -0.14 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.15 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 1.28 -0.04 0.00 0.00 175.50 176.74 1sxb n LEU 101 N -1.52 2.59 -4.83 1.53 4.77 -1.26 -4.99 117.00 113.30 1sxb n LEU 101 Ca 0.05 -0.09 -0.30 0.00 -0.03 0.00 0.00 56.01 55.64 1sxb n LEU 101 Cb 0.34 -0.75 0.07 0.00 -2.33 0.00 0.00 43.42 40.74 1sxb n LEU 101 CO 0.35 0.88 0.72 0.27 -1.33 0.00 0.00 177.39 178.28 1sxb s ILE 102 N -2.52 3.50 0.23 -0.08 -4.36 -1.26 -4.85 121.20 111.86 1sxb s ILE 102 Ca -0.31 0.49 -0.09 0.00 -0.26 0.00 0.00 60.65 60.48 1sxb s ILE 102 Cb 0.08 -3.30 -0.01 0.00 1.25 0.00 0.00 42.46 40.48 1sxb s ILE 102 CO 0.64 -0.64 0.37 -0.55 0.24 0.00 0.00 174.94 175.00 1sxb s SER 103 N -3.99 -0.02 0.00 4.36 0.15 -0.87 -4.68 113.70 108.65 1sxb s SER 103 Ca 0.59 -1.04 0.16 0.00 0.70 0.00 0.00 55.95 56.36 1sxb s SER 103 Cb -0.13 0.52 0.40 0.00 -1.71 0.00 0.00 66.02 65.09 1sxb s SER 103 CO 0.54 -1.04 1.32 0.18 1.20 0.00 0.00 173.24 175.44 1sxb n LEU 104 N -0.34 3.20 -3.51 3.45 4.77 -1.26 -1.73 117.00 121.58 1sxb n LEU 104 Ca -0.01 -1.82 -0.13 0.00 -0.03 0.00 0.00 56.01 54.02 1sxb n LEU 104 Cb 0.63 -0.28 -0.04 0.00 -2.33 0.00 0.00 43.42 41.40 1sxb n LEU 104 CO 0.25 0.77 0.56 -0.94 -1.33 0.00 0.00 177.39 176.71 1sxb s SER 105 N -1.07 -0.51 0.00 -1.43 1.04 -1.26 -4.05 113.70 106.42 1sxb s SER 105 Ca 0.32 0.34 0.00 0.00 0.48 0.00 0.00 55.95 57.09 1sxb s SER 105 Cb 0.17 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.76 1sxb s SER 105 CO 0.23 -0.62 0.00 0.61 0.98 0.00 0.00 173.24 174.44 1sxb n GLY 106 N 0.35 -1.77 0.33 7.32 0.00 -1.26 -4.02 105.19 106.14 1sxb n GLY 106 Ca -0.14 -1.58 0.09 0.00 0.00 0.00 0.00 46.02 44.39 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 0.38 -0.60 1.61 4.81 -2.00 -2.05 114.58 116.73 1sxb h GLU 107 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1sxb h GLU 107 Cb 0.00 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.29 1sxb h GLU 107 CO 0.00 0.25 0.00 0.66 -0.73 0.00 0.00 179.01 179.19 1sxb n TYR 108 N -4.48 0.98 -1.77 0.92 4.01 -1.26 -4.97 117.16 110.59 1sxb n TYR 108 Ca 0.06 -0.42 -0.42 0.00 -0.16 0.00 0.00 57.90 56.96 1sxb n TYR 108 Cb 0.24 -0.12 -0.03 0.00 -0.31 0.00 0.00 39.34 39.13 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 -0.88 6.41 0.00 7.72 0.15 -0.77 -2.05 113.70 124.27 1sxb s SER 109 Ca 0.38 2.85 0.17 0.00 0.70 0.00 0.00 55.95 60.05 1sxb s SER 109 Cb 0.23 -2.61 0.32 0.00 -1.71 0.00 0.00 66.02 62.25 1sxb s SER 109 CO 0.22 -0.94 1.23 2.30 1.20 0.00 0.00 173.24 177.25 1sxb n ILE 110 N 3.52 0.55 -2.08 6.45 -5.35 -0.71 -4.90 119.36 116.84 1sxb n ILE 110 Ca 0.14 -0.78 -0.42 0.00 -0.27 0.00 0.00 62.75 61.42 1sxb n ILE 110 Cb 0.36 0.88 -0.03 0.00 -1.74 0.00 0.00 39.64 39.12 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 -1.19 2.96 0.00 7.28 -1.09 -1.26 -1.78 121.20 126.13 1sxb s ILE 111 Ca 0.28 0.73 0.00 0.00 -2.23 0.00 0.00 60.65 59.43 1sxb s ILE 111 Cb 0.16 -3.46 0.00 0.00 -1.58 0.00 0.00 42.46 37.58 1sxb s ILE 111 CO 0.23 0.08 0.00 0.61 -1.23 0.00 0.00 174.94 174.62 1sxb n GLY 112 N 3.12 0.74 1.44 6.18 0.00 0.12 -4.99 105.19 111.80 1sxb n GLY 112 Ca 0.10 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.04 1.14 -5.11 1.61 1.74 -0.73 -2.33 116.66 110.94 1sxb n ARG 113 Ca 0.00 -1.28 -0.31 0.00 -0.77 0.00 0.00 57.85 55.50 1sxb n ARG 113 Cb 0.00 0.11 -0.17 0.00 -1.02 0.00 0.00 32.46 31.38 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 -0.94 1.89 -0.12 0.55 2.01 -1.10 -0.78 115.64 117.16 1sxb s THR 114 Ca 0.13 -0.93 -0.23 0.00 0.31 0.00 0.00 61.69 60.97 1sxb s THR 114 Cb -0.01 -1.64 -0.03 0.00 0.01 0.00 0.00 72.50 70.83 1sxb s THR 114 CO 0.08 0.52 0.70 -0.32 -0.69 0.00 0.00 174.62 174.91 1sxb s MET 115 N 0.30 4.36 -0.05 4.92 1.75 -0.79 0.57 119.30 130.36 1sxb s MET 115 Ca -0.15 0.82 0.05 0.00 -1.25 0.00 0.00 55.69 55.16 1sxb s MET 115 Cb -0.17 -3.50 -0.00 0.00 2.84 0.00 0.00 34.83 34.00 1sxb s MET 115 CO 0.07 -0.07 -0.20 0.08 -0.65 0.00 0.00 175.02 174.25 1sxb s VAL 116 N 1.28 1.63 -0.21 10.11 1.01 -0.29 -2.01 120.40 131.93 1sxb s VAL 116 Ca 0.35 -0.83 -0.06 0.00 0.00 0.00 0.00 61.98 61.44 1sxb s VAL 116 Cb -0.17 -1.40 -0.03 0.00 0.00 0.00 0.00 36.38 34.78 1sxb s VAL 116 CO 0.15 0.46 0.04 0.54 0.00 0.00 0.00 175.10 176.29 1sxb s VAL 117 N 0.00 4.34 0.29 2.92 0.11 -0.78 -1.66 120.40 125.63 1sxb s VAL 117 Ca -0.05 -0.18 0.01 0.00 -2.93 0.00 0.00 61.98 58.84 1sxb s VAL 117 Cb -0.13 -2.98 -0.03 0.00 -1.53 0.00 0.00 36.38 31.71 1sxb s VAL 117 CO 0.03 0.41 0.46 -1.00 -3.33 0.00 0.00 175.10 171.67 1sxb s HIS 118 N 0.95 3.48 0.18 1.54 3.76 -0.15 -1.47 115.29 123.59 1sxb s HIS 118 Ca 0.03 0.25 -0.03 0.00 -0.15 0.00 0.00 55.06 55.16 1sxb s HIS 118 Cb -0.14 -1.80 0.09 0.00 1.11 0.00 0.00 32.58 31.84 1sxb s HIS 118 CO 0.02 0.27 1.48 1.49 -0.85 0.00 0.00 174.74 177.15 1sxb h GLU 119 N 1.15 0.53 -5.85 1.40 4.81 -0.64 -3.38 114.58 112.59 1sxb h GLU 119 Ca -0.50 -0.36 -0.58 0.00 -0.13 0.00 0.00 59.36 57.80 1sxb h GLU 119 Cb 1.22 0.05 -0.09 0.00 0.63 0.00 0.00 28.75 30.56 1sxb h GLU 119 CO 0.63 0.97 -0.50 0.15 -0.73 0.00 0.00 179.01 179.53 1sxb s LYS 120 N -3.90 2.20 0.49 1.92 -0.14 -0.01 -4.87 119.74 115.44 1sxb s LYS 120 Ca -0.07 -1.89 -0.24 0.00 -1.36 0.00 0.00 55.97 52.41 1sxb s LYS 120 Cb 0.11 -1.94 -0.07 0.00 -1.68 0.00 0.00 37.83 34.25 1sxb s LYS 120 CO 0.84 -0.14 1.42 -2.30 -0.76 0.00 0.00 175.35 174.41 1sxb n PRO 121 N -1.23 2.06 -3.04 -1.68 -0.02 -1.10 -1.56 135.00 128.42 1sxb n PRO 121 Ca -0.02 0.74 -0.40 0.00 -2.02 0.00 0.00 63.50 61.80 1sxb n PRO 121 Cb 0.65 -2.62 -0.05 0.00 -0.02 0.00 0.00 33.50 31.46 1sxb n PRO 121 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1sxb s ASP 122 N -0.63 6.96 0.00 2.55 -1.08 -1.26 -4.09 116.67 119.11 1sxb s ASP 122 Ca 0.65 1.15 0.22 0.00 -0.52 0.00 0.00 52.55 54.06 1sxb s ASP 122 Cb -0.43 -2.41 1.15 0.00 -1.46 0.00 0.00 42.92 39.77 1sxb s ASP 122 CO 0.54 -0.15 1.77 -0.90 0.52 0.00 0.00 175.17 176.95 1sxb n ASP 123 N 3.98 0.58 -1.76 -0.34 5.68 -0.23 -4.89 116.55 119.58 1sxb n ASP 123 Ca -0.01 -1.43 -0.16 0.00 -0.50 0.00 0.00 54.79 52.70 1sxb n ASP 123 Cb 0.51 -0.03 -0.01 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 -0.44 -1.70 0.00 -2.12 4.77 -1.26 -2.40 117.00 113.84 1sxb n LEU 124 Ca 0.17 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 1sxb n LEU 124 Cb 0.17 -2.32 0.00 0.00 -2.33 0.00 0.00 43.42 38.94 1sxb n LEU 124 CO 0.13 -0.17 0.00 0.61 -1.33 0.00 0.00 177.39 176.63 1sxb n GLY 125 N -1.02 0.81 1.21 -0.72 0.00 -1.25 -3.38 105.19 100.85 1sxb n GLY 125 Ca -0.18 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.27 3.56 0.19 1.61 1.74 -1.01 -4.61 116.66 115.86 1sxb n ARG 126 Ca 0.00 -2.93 0.07 0.00 -0.77 0.00 0.00 57.85 54.23 1sxb n ARG 126 Cb 0.01 -1.96 0.25 0.00 -1.02 0.00 0.00 32.46 29.73 1sxb n ARG 126 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1sxb h GLY 127 N 2.55 0.00 0.00 -0.13 0.00 -1.90 -3.48 103.07 100.11 1sxb h GLY 127 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1sxb h GLY 127 CO 0.30 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.45 1sxb n GLY 128 N 0.71 0.73 3.71 4.60 0.00 -1.26 -5.03 105.19 108.64 1sxb n GLY 128 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 1sxb n GLY 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sxb s ASN 129 N -2.75 4.30 0.24 1.61 2.20 -1.26 -5.03 114.94 114.25 1sxb s ASN 129 Ca 0.00 -1.15 -0.06 0.00 -0.94 0.00 0.00 52.86 50.70 1sxb s ASN 129 Cb 0.00 -0.44 0.30 0.00 -2.00 0.00 0.00 41.25 39.11 1sxb s ASN 129 CO 0.00 -0.53 1.86 -0.08 -2.94 0.00 0.00 177.10 175.40 1sxb h GLU 130 N 1.49 0.95 -0.55 3.55 4.81 -2.01 -2.69 114.58 120.14 1sxb h GLU 130 Ca -0.43 -0.06 0.11 0.00 -0.13 0.00 0.00 59.36 58.86 1sxb h GLU 130 Cb 1.25 -0.22 -0.03 0.00 0.63 0.00 0.00 28.75 30.39 1sxb h GLU 130 CO 0.72 0.63 0.38 1.49 -0.73 0.00 0.00 179.01 181.50 1sxb h GLU 131 N 0.98 0.24 -0.82 1.92 4.57 -2.00 -1.62 114.58 117.86 1sxb h GLU 131 Ca 0.36 -0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.53 1sxb h GLU 131 Cb 0.11 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.61 1sxb h GLU 131 CO -0.15 0.16 0.54 1.03 -1.18 0.00 0.00 179.01 179.41 1sxb h SER 132 N 0.25 0.94 0.33 1.04 0.87 -1.82 -0.55 113.55 114.62 1sxb h SER 132 Ca 0.26 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.79 1sxb h SER 132 Cb 0.68 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.41 1sxb h SER 132 CO -0.05 0.68 0.00 0.35 -0.53 0.00 0.00 176.83 177.28 1sxb n THR 133 N -4.41 0.08 -0.04 2.23 -2.24 -0.61 -1.41 114.28 107.87 1sxb n THR 133 Ca 0.09 0.02 -0.09 0.00 -2.27 0.00 0.00 64.05 61.80 1sxb n THR 133 Cb 0.03 -0.58 -0.03 0.00 -2.10 0.00 0.00 70.33 67.65 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 -1.19 0.20 0.00 -0.78 5.02 -0.39 -1.32 118.16 119.70 1sxb n LYS 134 Ca 0.16 0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.52 1sxb n LYS 134 Cb 0.17 -0.91 0.00 0.00 -0.02 0.00 0.00 35.03 34.28 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 -3.23 0.00 -1.23 -0.18 -2.24 -0.35 -4.66 114.28 102.38 1sxb n THR 135 Ca -0.17 -0.21 -0.08 0.00 -2.27 0.00 0.00 64.05 61.32 1sxb n THR 135 Cb 0.63 1.56 -0.03 0.00 -2.10 0.00 0.00 70.33 70.39 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 0.01 0.97 2.41 3.38 0.00 -0.50 -3.00 105.19 108.45 1sxb n GLY 136 Ca 0.00 -0.52 -0.19 0.00 0.00 0.00 0.00 46.02 45.31 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 0.35 -5.58 0.08 1.61 3.02 -1.25 -1.06 115.26 112.43 1sxb n ASN 137 Ca -0.08 0.03 0.12 0.00 -0.03 0.00 0.00 54.58 54.63 1sxb n ASN 137 Cb 0.29 -4.66 0.46 0.00 -0.61 0.00 0.00 39.78 35.26 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 -1.94 2.05 0.00 5.41 0.00 -1.16 -4.75 120.51 120.11 1sxb n ALA 138 Ca -0.23 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1sxb n ALA 138 Cb 0.67 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.70 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 0.84 -1.20 3.76 0.00 0.00 -1.26 -0.83 105.19 106.50 1sxb n GLY 139 Ca 0.05 -1.29 -0.31 0.00 0.00 0.00 0.00 46.02 44.47 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 4.52 -0.55 1.61 1.04 -1.26 -4.64 113.70 110.42 1sxb s SER 140 Ca 0.00 1.88 -0.23 0.00 0.48 0.00 0.00 55.95 58.08 1sxb s SER 140 Cb 0.00 -2.53 0.05 0.00 0.10 0.00 0.00 66.02 63.64 1sxb s SER 140 CO 0.00 -2.02 0.88 -0.13 0.98 0.00 0.00 173.24 172.95 1sxb s ARG 141 N -4.73 3.27 0.25 4.02 0.52 -1.26 -0.36 118.95 120.66 1sxb s ARG 141 Ca 0.63 -0.45 0.08 0.00 -0.52 0.00 0.00 55.73 55.47 1sxb s ARG 141 Cb -0.18 -4.08 0.29 0.00 0.52 0.00 0.00 34.95 31.50 1sxb s ARG 141 CO 0.53 -1.47 1.58 -0.07 0.02 0.00 0.00 175.30 175.89 1sxb h LEU 142 N 10.77 0.08 -7.00 2.53 3.38 -1.56 -3.47 115.31 120.04 1sxb h LEU 142 Ca -0.27 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1sxb h LEU 142 Cb 1.08 -0.02 -0.18 0.00 0.09 0.00 0.00 40.66 41.62 1sxb h LEU 142 CO 1.08 0.70 0.32 0.00 0.09 0.00 0.00 178.44 180.63 1sxb s ALA 143 N -3.60 -1.78 0.24 1.53 0.00 -1.23 -4.05 121.76 112.87 1sxb s ALA 143 Ca -0.02 1.19 -0.22 0.00 0.00 0.00 0.00 51.96 52.91 1sxb s ALA 143 Cb 0.12 0.06 0.03 0.00 0.00 0.00 0.00 23.12 23.33 1sxb s ALA 143 CO 0.78 -0.47 0.74 0.00 0.00 0.00 0.00 175.76 176.80 1sxb s GLY 145 N -2.89 -0.50 0.14 0.00 0.00 -0.85 -1.59 107.32 101.63 1sxb s GLY 145 Ca 0.10 1.29 -0.27 0.00 0.00 0.00 0.00 44.72 45.84 1sxb s GLY 145 CO 0.03 0.76 0.85 0.14 0.00 0.00 0.00 173.10 174.89 1sxb s VAL 146 N -1.85 4.41 -0.28 1.40 1.01 -1.26 -1.88 120.40 121.95 1sxb s VAL 146 Ca -0.05 1.86 -0.28 0.00 0.00 0.00 0.00 61.98 63.51 1sxb s VAL 146 Cb -0.00 -4.22 0.01 0.00 0.00 0.00 0.00 36.38 32.17 1sxb s VAL 146 CO 0.02 0.44 1.00 -0.63 0.00 0.00 0.00 175.10 175.93 1sxb s ILE 147 N -0.65 4.64 0.28 2.22 1.01 0.04 -4.56 121.20 124.18 1sxb s ILE 147 Ca 0.40 1.77 0.11 0.00 0.00 0.00 0.00 60.65 62.92 1sxb s ILE 147 Cb -0.23 -4.32 -0.05 0.00 0.01 0.00 0.00 42.46 37.87 1sxb s ILE 147 CO 0.28 -0.30 -0.16 -0.83 0.00 0.00 0.00 174.94 173.92 1sxb s GLY 148 N 1.45 1.89 0.13 6.18 0.00 -0.24 0.14 107.32 116.87 1sxb s GLY 148 Ca 0.42 -1.90 -0.31 0.00 0.00 0.00 0.00 44.72 42.93 1sxb s GLY 148 CO 0.11 -1.95 1.41 -0.42 0.00 0.00 0.00 173.10 172.25 1sxb s ILE 149 N -2.63 3.20 0.29 0.90 1.01 -1.26 -0.67 121.20 122.05 1sxb s ILE 149 Ca 0.30 0.87 0.09 0.00 0.00 0.00 0.00 60.65 61.91 1sxb s ILE 149 Cb -0.02 -3.56 -0.04 0.00 0.01 0.00 0.00 42.46 38.85 1sxb s ILE 149 CO 0.14 0.07 0.07 0.00 0.00 0.00 0.00 174.94 175.22 1sxb s ALA 150 N 1.03 3.32 -2.10 9.38 0.00 -0.64 -4.78 121.76 127.97 1sxb s ALA 150 Ca 0.65 -1.70 0.31 0.00 0.00 0.00 0.00 51.96 51.22 1sxb s ALA 150 Cb -0.38 -0.80 1.74 0.00 0.00 0.00 0.00 23.12 23.69 1sxb s ALA 150 CO 0.31 0.18 2.13 1.17 0.00 0.00 0.00 175.76 179.55