#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sxa n THR 2 N 0.00 0.00 -3.81 0.00 -2.24 -1.26 -4.69 114.28 102.28 1sxa n THR 2 Ca 0.00 -0.36 -0.12 0.00 -2.27 0.00 0.00 64.05 61.30 1sxa n THR 2 Cb 0.00 1.03 -0.13 0.00 -2.10 0.00 0.00 70.33 69.13 1sxa n THR 2 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1sxa s LYS 3 N -1.52 0.18 0.10 -0.78 1.02 -1.26 -0.83 119.74 116.65 1sxa s LYS 3 Ca 0.04 0.23 -0.02 0.00 0.02 0.00 0.00 55.97 56.24 1sxa s LYS 3 Cb 0.06 0.07 -0.04 0.00 -0.52 0.00 0.00 37.83 37.40 1sxa s LYS 3 CO 0.26 -0.03 0.04 0.00 -0.92 0.00 0.00 175.35 174.70 1sxa s ALA 4 N 0.16 0.68 0.04 5.17 0.00 -0.09 -1.27 121.76 126.45 1sxa s ALA 4 Ca -0.01 -1.33 -0.08 0.00 0.00 0.00 0.00 51.96 50.53 1sxa s ALA 4 Cb -0.02 0.66 0.00 0.00 0.00 0.00 0.00 23.12 23.76 1sxa s ALA 4 CO -0.00 -0.46 0.17 0.54 0.00 0.00 0.00 175.76 176.01 1sxa s VAL 5 N -4.00 0.11 -0.11 0.00 0.11 -0.09 -1.12 120.40 115.31 1sxa s VAL 5 Ca 0.18 -0.93 -0.06 0.00 -2.93 0.00 0.00 61.98 58.23 1sxa s VAL 5 Cb 0.07 -0.90 0.04 0.00 -1.53 0.00 0.00 36.38 34.07 1sxa s VAL 5 CO -0.03 -0.52 0.27 0.00 -3.33 0.00 0.00 175.10 171.50 1sxa s VAL 7 N 1.07 3.69 -0.14 0.00 1.01 -1.26 -0.74 120.40 124.03 1sxa s VAL 7 Ca -0.08 -0.40 -0.12 0.00 0.00 0.00 0.00 61.98 61.38 1sxa s VAL 7 Cb -0.09 -2.67 -0.05 0.00 0.00 0.00 0.00 36.38 33.58 1sxa s VAL 7 CO -0.07 0.43 0.25 -0.76 0.00 0.00 0.00 175.10 174.95 1sxa s LEU 8 N 1.15 4.29 0.02 3.92 1.43 0.44 -3.97 118.68 125.97 1sxa s LEU 8 Ca 0.02 0.51 -0.10 0.00 -1.03 0.00 0.00 54.13 53.54 1sxa s LEU 8 Cb -0.15 -2.30 0.01 0.00 0.03 0.00 0.00 46.19 43.78 1sxa s LEU 8 CO 0.00 0.20 0.20 -0.54 0.23 0.00 0.00 176.35 176.44 1sxa s LYS 9 N -0.01 0.62 0.00 1.70 1.02 -0.62 -2.31 119.74 120.14 1sxa s LYS 9 Ca 0.16 -0.49 0.00 0.00 0.02 0.00 0.00 55.97 55.66 1sxa s LYS 9 Cb -0.13 0.26 0.00 0.00 -0.52 0.00 0.00 37.83 37.44 1sxa s LYS 9 CO 0.04 -0.17 0.00 0.41 -0.92 0.00 0.00 175.35 174.71 1sxa n GLY 10 N 1.02 3.93 0.11 -3.33 0.00 -1.25 -1.47 105.19 104.19 1sxa n GLY 10 Ca -0.21 -1.02 0.13 0.00 0.00 0.00 0.00 46.02 44.93 1sxa n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sxa n ASP 11 N 0.00 0.55 0.00 1.61 8.00 -1.26 -4.87 116.55 120.59 1sxa n ASP 11 Ca 0.00 -0.46 0.00 0.00 0.71 0.00 0.00 54.79 55.04 1sxa n ASP 11 Cb 0.00 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.09 1sxa n ASP 11 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sxa n GLY 12 N 1.36 5.46 0.00 0.44 0.00 -1.26 -5.03 105.19 106.16 1sxa n GLY 12 Ca 0.11 -1.92 0.15 0.00 0.00 0.00 0.00 46.02 44.36 1sxa n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1sxa n PRO 13 N 0.00 0.44 -2.38 1.61 -0.04 -1.26 -4.89 135.00 128.48 1sxa n PRO 13 Ca 0.00 -0.01 -0.43 0.00 -0.04 0.00 0.00 63.50 63.03 1sxa n PRO 13 Cb 0.00 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 31.94 1sxa n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1sxa s VAL 14 N -2.56 4.15 0.09 0.52 1.01 -1.26 -4.38 120.40 117.96 1sxa s VAL 14 Ca 0.29 1.44 -0.07 0.00 0.00 0.00 0.00 61.98 63.64 1sxa s VAL 14 Cb 0.20 -3.93 -0.01 0.00 0.00 0.00 0.00 36.38 32.64 1sxa s VAL 14 CO 0.46 -0.07 0.15 0.00 0.00 0.00 0.00 175.10 175.64 1sxa s GLN 15 N 2.95 0.84 -0.05 2.72 -2.07 -0.98 -3.80 119.66 119.27 1sxa s GLN 15 Ca 0.58 -1.07 -0.31 0.00 -1.82 0.00 0.00 55.36 52.73 1sxa s GLN 15 Cb -0.25 0.31 0.13 0.00 -1.09 0.00 0.00 33.01 32.12 1sxa s GLN 15 CO 0.20 -0.25 1.36 0.20 -1.32 0.00 0.00 175.29 175.48 1sxa s GLY 16 N -2.90 -0.44 -0.11 2.60 0.00 -0.98 -0.99 107.32 104.51 1sxa s GLY 16 Ca 0.08 0.78 0.00 0.00 0.00 0.00 0.00 44.72 45.58 1sxa s GLY 16 CO -0.09 0.52 -0.09 -1.59 0.00 0.00 0.00 173.10 171.85 1sxa s THR 17 N -2.21 1.12 -0.09 0.90 2.01 -0.97 -0.42 115.64 115.98 1sxa s THR 17 Ca 0.16 -0.37 0.02 0.00 0.31 0.00 0.00 61.69 61.80 1sxa s THR 17 Cb 0.06 -1.10 -0.02 0.00 0.01 0.00 0.00 72.50 71.45 1sxa s THR 17 CO -0.05 0.38 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.49 1sxa s ILE 18 N 1.45 3.02 0.06 1.82 -1.09 0.08 -2.72 121.20 123.83 1sxa s ILE 18 Ca 0.01 -0.71 0.06 0.00 -2.23 0.00 0.00 60.65 57.78 1sxa s ILE 18 Cb -0.13 -2.22 -0.04 0.00 -1.58 0.00 0.00 42.46 38.49 1sxa s ILE 18 CO -0.06 0.56 -0.10 -1.00 -1.23 0.00 0.00 174.94 173.11 1sxa s HIS 19 N -0.20 2.75 -0.02 3.97 3.76 0.10 -0.94 115.29 124.71 1sxa s HIS 19 Ca 0.00 -0.14 0.05 0.00 -0.15 0.00 0.00 55.06 54.82 1sxa s HIS 19 Cb -0.13 -1.49 -0.01 0.00 1.11 0.00 0.00 32.58 32.06 1sxa s HIS 19 CO 0.03 0.38 -0.17 -0.06 -0.85 0.00 0.00 174.74 174.07 1sxa s PHE 20 N -1.10 1.55 -0.08 1.40 0.40 -0.27 -1.59 117.98 118.29 1sxa s PHE 20 Ca 0.19 -0.33 -0.04 0.00 -0.60 0.00 0.00 56.93 56.14 1sxa s PHE 20 Cb -0.11 -1.01 0.04 0.00 0.51 0.00 0.00 43.02 42.45 1sxa s PHE 20 CO 0.10 -0.06 0.19 -2.00 0.70 0.00 0.00 175.22 174.16 1sxa s GLU 21 N -0.28 0.15 -0.35 0.44 2.12 -0.41 -0.91 118.70 119.45 1sxa s GLU 21 Ca 0.04 0.43 -0.28 0.00 0.36 0.00 0.00 54.97 55.52 1sxa s GLU 21 Cb -0.08 -0.13 0.02 0.00 0.26 0.00 0.00 34.13 34.20 1sxa s GLU 21 CO 0.00 -0.15 1.06 0.00 -0.54 0.00 0.00 175.26 175.63 1sxa s ALA 22 N 1.14 3.43 -0.28 6.30 0.00 -0.01 -0.99 121.76 131.35 1sxa s ALA 22 Ca -0.09 -0.18 0.02 0.00 0.00 0.00 0.00 51.96 51.72 1sxa s ALA 22 Cb -0.10 -3.68 0.07 0.00 0.00 0.00 0.00 23.12 19.41 1sxa s ALA 22 CO -0.07 -1.61 -0.03 0.15 0.00 0.00 0.00 175.76 174.20 1sxa s LYS 23 N 3.74 1.72 6.86 0.00 1.02 -0.87 -4.99 119.74 127.22 1sxa s LYS 23 Ca 0.45 -1.34 0.00 0.00 0.02 0.00 0.00 55.97 55.10 1sxa s LYS 23 Cb -0.11 -2.80 0.00 0.00 -0.52 0.00 0.00 37.83 34.40 1sxa s LYS 23 CO 0.18 -0.71 0.00 0.41 -0.92 0.00 0.00 175.35 174.32 1sxa n GLY 24 N 4.50 1.69 1.29 -3.33 0.00 -1.26 -2.55 105.19 105.52 1sxa n GLY 24 Ca -0.08 -0.45 0.12 0.00 0.00 0.00 0.00 46.02 45.61 1sxa n GLY 24 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sxa n ASP 25 N 6.37 3.81 -4.56 1.61 8.00 -1.26 -4.97 116.55 125.55 1sxa n ASP 25 Ca 0.00 -2.00 -0.31 0.00 0.71 0.00 0.00 54.79 53.19 1sxa n ASP 25 Cb 0.00 -0.42 -0.07 0.00 -0.02 0.00 0.00 41.12 40.60 1sxa n ASP 25 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1sxa s THR 26 N -1.12 0.90 -0.11 -3.53 -1.32 -1.06 -5.02 115.64 104.38 1sxa s THR 26 Ca 0.46 -2.00 0.03 0.00 -1.21 0.00 0.00 61.69 58.97 1sxa s THR 26 Cb 0.24 -2.14 0.01 0.00 -1.51 0.00 0.00 72.50 69.10 1sxa s THR 26 CO 0.32 0.00 -0.21 -0.69 -2.21 0.00 0.00 174.62 171.84 1sxa s VAL 27 N -2.98 1.87 -0.21 5.08 1.01 -1.22 -2.06 120.40 121.89 1sxa s VAL 27 Ca 0.08 -0.89 -0.11 0.00 0.00 0.00 0.00 61.98 61.06 1sxa s VAL 27 Cb 0.01 -1.65 -0.05 0.00 0.00 0.00 0.00 36.38 34.70 1sxa s VAL 27 CO 0.05 0.52 0.19 -0.69 0.00 0.00 0.00 175.10 175.17 1sxa s VAL 28 N 0.58 5.36 -0.23 2.92 1.01 -0.16 -2.13 120.40 127.75 1sxa s VAL 28 Ca -0.14 0.28 -0.05 0.00 0.00 0.00 0.00 61.98 62.08 1sxa s VAL 28 Cb -0.17 -3.53 -0.01 0.00 0.00 0.00 0.00 36.38 32.67 1sxa s VAL 28 CO 0.04 0.38 -0.02 -0.69 0.00 0.00 0.00 175.10 174.81 1sxa s VAL 29 N 0.75 3.55 0.21 2.92 1.01 0.06 -1.29 120.40 127.60 1sxa s VAL 29 Ca 0.10 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.64 1sxa s VAL 29 Cb -0.13 -2.63 -0.05 0.00 0.00 0.00 0.00 36.38 33.57 1sxa s VAL 29 CO 0.02 0.39 0.06 0.42 0.00 0.00 0.00 175.10 176.00 1sxa s THR 30 N 1.50 0.53 -5.00 3.92 -4.23 -0.62 -0.99 115.64 110.76 1sxa s THR 30 Ca 0.06 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 58.58 1sxa s THR 30 Cb -0.14 -2.39 0.00 0.00 1.34 0.00 0.00 72.50 71.30 1sxa s THR 30 CO -0.02 -0.21 0.00 0.61 -0.54 0.00 0.00 174.62 174.46 1sxa n GLY 31 N -0.34 0.76 3.40 3.99 0.00 -1.10 -0.72 105.19 111.18 1sxa n GLY 31 Ca -0.03 -1.79 -0.13 0.00 0.00 0.00 0.00 46.02 44.07 1sxa n GLY 31 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sxa s SER 32 N -4.00 -0.47 -0.03 1.61 1.04 -1.10 -1.23 113.70 109.52 1sxa s SER 32 Ca 0.00 0.14 0.01 0.00 0.48 0.00 0.00 55.95 56.58 1sxa s SER 32 Cb 0.00 0.52 0.02 0.00 0.10 0.00 0.00 66.02 66.66 1sxa s SER 32 CO 0.00 -0.78 -0.03 -0.63 0.98 0.00 0.00 173.24 172.78 1sxa s ILE 33 N -2.77 0.35 0.38 -1.02 1.01 -0.32 -2.28 121.20 116.54 1sxa s ILE 33 Ca -0.03 -0.07 0.08 0.00 0.00 0.00 0.00 60.65 60.63 1sxa s ILE 33 Cb -0.00 -0.37 -0.07 0.00 0.01 0.00 0.00 42.46 42.02 1sxa s ILE 33 CO -0.04 0.16 0.00 0.42 0.00 0.00 0.00 174.94 175.48 1sxa s THR 34 N 0.64 2.19 0.00 2.92 -4.23 -0.16 -0.06 115.64 116.93 1sxa s THR 34 Ca -0.07 -2.02 0.00 0.00 -1.18 0.00 0.00 61.69 58.42 1sxa s THR 34 Cb -0.10 -2.88 0.00 0.00 1.34 0.00 0.00 72.50 70.86 1sxa s THR 34 CO -0.01 -0.08 0.00 0.61 -0.54 0.00 0.00 174.62 174.60 1sxa n GLY 35 N -0.95 0.71 3.93 3.99 0.00 -1.04 -2.31 105.19 109.52 1sxa n GLY 35 Ca -0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.73 1sxa n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sxa s LEU 36 N 0.00 3.61 0.43 0.99 1.43 -0.55 -4.31 118.68 120.28 1sxa s LEU 36 Ca 0.00 0.53 -0.21 0.00 -1.03 0.00 0.00 54.13 53.42 1sxa s LEU 36 Cb 0.00 -3.41 -0.11 0.00 0.03 0.00 0.00 46.19 42.71 1sxa s LEU 36 CO 0.00 -0.70 0.94 0.42 0.23 0.00 0.00 176.35 177.25 1sxa s THR 37 N -2.65 4.41 0.44 5.49 -4.23 -1.26 -3.75 115.64 114.09 1sxa s THR 37 Ca 0.48 1.46 -0.25 0.00 -1.18 0.00 0.00 61.69 62.20 1sxa s THR 37 Cb -0.10 -3.61 -0.09 0.00 1.34 0.00 0.00 72.50 70.04 1sxa s THR 37 CO 0.41 -0.34 1.28 1.21 -0.54 0.00 0.00 174.62 176.64 1sxa n GLU 38 N -0.68 1.91 0.00 3.99 2.13 -1.26 -4.53 120.64 122.20 1sxa n GLU 38 Ca 0.07 0.68 0.00 0.00 0.66 0.00 0.00 57.16 58.57 1sxa n GLU 38 Cb 0.54 -2.42 0.00 0.00 0.27 0.00 0.00 31.44 29.83 1sxa n GLU 38 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1sxa n GLY 39 N 0.80 -0.60 3.77 8.31 0.00 -0.66 -4.87 105.19 111.93 1sxa n GLY 39 Ca 0.07 -2.24 -0.38 0.00 0.00 0.00 0.00 46.02 43.47 1sxa n GLY 39 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sxa s ASP 40 N -2.42 7.41 -0.02 1.61 1.01 -1.26 0.04 116.67 123.05 1sxa s ASP 40 Ca 0.00 1.89 0.01 0.00 0.71 0.00 0.00 52.55 55.15 1sxa s ASP 40 Cb 0.00 -2.59 0.02 0.00 1.01 0.00 0.00 42.92 41.36 1sxa s ASP 40 CO 0.00 -0.01 -0.02 -1.00 0.21 0.00 0.00 175.17 174.35 1sxa s HIS 41 N -1.48 0.36 0.29 4.23 3.76 0.35 -2.72 115.29 120.09 1sxa s HIS 41 Ca 0.47 -0.04 -0.30 0.00 -0.15 0.00 0.00 55.06 55.04 1sxa s HIS 41 Cb -0.21 -0.38 -0.12 0.00 1.11 0.00 0.00 32.58 32.98 1sxa s HIS 41 CO 0.27 -0.10 1.54 0.41 -0.85 0.00 0.00 174.74 176.00 1sxa n GLY 42 N 3.78 1.17 2.70 -2.22 0.00 -0.68 -1.06 105.19 108.88 1sxa n GLY 42 Ca -0.23 0.46 -0.29 0.00 0.00 0.00 0.00 46.02 45.96 1sxa n GLY 42 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1sxa s PHE 43 N -0.11 1.19 0.10 1.61 5.36 -0.06 -0.63 117.98 125.44 1sxa s PHE 43 Ca 0.64 -1.23 0.02 0.00 -0.96 0.00 0.00 56.93 55.40 1sxa s PHE 43 Cb -0.53 -1.29 -0.04 0.00 -0.34 0.00 0.00 43.02 40.81 1sxa s PHE 43 CO 0.50 -0.76 -0.07 -1.01 -1.46 0.00 0.00 175.22 172.42 1sxa s HIS 44 N 1.80 0.91 -0.30 10.12 3.76 -0.86 -2.89 115.29 127.84 1sxa s HIS 44 Ca 0.05 -0.89 -0.13 0.00 -0.15 0.00 0.00 55.06 53.94 1sxa s HIS 44 Cb -0.17 -0.52 -0.03 0.00 1.11 0.00 0.00 32.58 32.97 1sxa s HIS 44 CO -0.20 -0.13 0.29 0.08 -0.85 0.00 0.00 174.74 173.92 1sxa s VAL 45 N -3.53 5.23 0.25 -0.90 1.01 -0.07 -0.99 120.40 121.40 1sxa s VAL 45 Ca 0.11 0.23 -0.08 0.00 0.00 0.00 0.00 61.98 62.25 1sxa s VAL 45 Cb 0.05 -3.67 -0.06 0.00 0.00 0.00 0.00 36.38 32.70 1sxa s VAL 45 CO -0.04 0.12 0.54 -1.00 0.00 0.00 0.00 175.10 174.72 1sxa s HIS 46 N 1.91 3.45 0.14 5.22 3.76 0.47 -0.92 115.29 129.32 1sxa s HIS 46 Ca 0.10 0.77 -0.18 0.00 -0.15 0.00 0.00 55.06 55.61 1sxa s HIS 46 Cb -0.16 -2.19 -0.03 0.00 1.11 0.00 0.00 32.58 31.31 1sxa s HIS 46 CO 0.11 0.24 1.80 0.37 -0.85 0.00 0.00 174.74 176.40 1sxa h GLN 47 N 2.24 0.39 -5.83 1.40 4.15 -0.78 -2.66 115.11 114.02 1sxa h GLN 47 Ca -0.47 -0.02 -0.67 0.00 0.77 0.00 0.00 58.65 58.26 1sxa h GLN 47 Cb 1.18 -0.09 -0.10 0.00 0.21 0.00 0.00 27.48 28.68 1sxa h GLN 47 CO 0.68 0.26 -0.54 -0.06 -1.93 0.00 0.00 178.83 177.24 1sxa s PHE 48 N -6.17 3.40 -0.57 3.99 0.08 -0.06 -4.66 117.98 113.99 1sxa s PHE 48 Ca -0.13 0.35 -0.03 0.00 0.12 0.00 0.00 56.93 57.24 1sxa s PHE 48 Cb 0.10 -1.85 0.19 0.00 -0.57 0.00 0.00 43.02 40.89 1sxa s PHE 48 CO 0.71 0.61 2.44 0.41 -0.10 0.00 0.00 175.22 179.29 1sxa n GLY 49 N 1.80 4.77 3.33 4.36 0.00 -1.01 -3.54 105.19 114.90 1sxa n GLY 49 Ca -0.18 -2.02 -0.39 0.00 0.00 0.00 0.00 46.02 43.44 1sxa n GLY 49 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1sxa s ASP 50 N -0.23 5.55 -0.20 1.61 -1.08 -1.26 -4.95 116.67 116.10 1sxa s ASP 50 Ca 0.55 -1.05 0.16 0.00 -0.52 0.00 0.00 52.55 51.69 1sxa s ASP 50 Cb 0.40 -1.96 0.59 0.00 -1.46 0.00 0.00 42.92 40.49 1sxa s ASP 50 CO -0.25 -0.36 1.50 0.59 0.52 0.00 0.00 175.17 177.18 1sxa n ASN 51 N 4.92 4.23 0.19 -0.34 3.02 -1.26 -2.94 115.26 123.08 1sxa n ASN 51 Ca -0.12 -3.04 0.04 0.00 -0.03 0.00 0.00 54.58 51.43 1sxa n ASN 51 Cb 0.45 -0.58 0.43 0.00 -0.61 0.00 0.00 39.78 39.48 1sxa n ASN 51 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 1sxa h THR 52 N 2.22 1.19 -1.41 3.41 1.35 -1.92 -2.54 112.91 115.21 1sxa h THR 52 Ca 0.02 -0.88 -0.61 0.00 -0.55 0.00 0.00 66.41 64.39 1sxa h THR 52 Cb 1.59 1.45 -0.40 0.00 -1.73 0.00 0.00 68.15 69.05 1sxa h THR 52 CO 0.30 0.25 -0.49 1.67 -0.25 0.00 0.00 175.52 177.01 1sxa n GLN 53 N -4.24 3.36 0.00 4.72 7.27 -1.26 -5.05 117.38 122.19 1sxa n GLN 53 Ca -0.02 -4.29 0.00 0.00 0.07 0.00 0.00 57.00 52.76 1sxa n GLN 53 Cb 0.31 -2.26 0.00 0.00 2.41 0.00 0.00 30.24 30.70 1sxa n GLN 53 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1sxa n GLY 54 N -0.55 0.81 0.14 1.69 0.00 -0.96 -2.95 105.19 103.37 1sxa n GLY 54 Ca 0.43 -0.75 0.13 0.00 0.00 0.00 0.00 46.02 45.83 1sxa n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sxa h THR 56 N 0.00 1.22 0.00 0.00 2.02 -1.86 -2.64 112.91 111.65 1sxa h THR 56 Ca 0.00 -0.81 0.00 0.00 0.77 0.00 0.00 66.41 66.37 1sxa h THR 56 Cb 0.50 0.72 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1sxa h THR 56 CO 0.00 0.30 0.00 -1.54 0.37 0.00 0.00 175.52 174.65 1sxa n SER 57 N -4.28 0.00 0.26 4.18 3.41 -1.24 -3.25 113.62 112.72 1sxa n SER 57 Ca 0.03 -0.85 0.17 0.00 -0.26 0.00 0.00 58.87 57.97 1sxa n SER 57 Cb 0.23 -0.01 0.77 0.00 -0.26 0.00 0.00 64.21 64.94 1sxa n SER 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sxa h ALA 58 N 3.73 1.00 0.00 7.33 0.00 -1.35 -3.40 119.26 126.58 1sxa h ALA 58 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1sxa h ALA 58 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1sxa h ALA 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1sxa n GLY 59 N -0.26 -1.66 0.95 0.00 0.00 -1.20 -0.88 105.19 102.13 1sxa n GLY 59 Ca -0.00 -1.40 -0.07 0.00 0.00 0.00 0.00 46.02 44.55 1sxa n GLY 59 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1sxa n PRO 60 N 0.00 -0.12 -2.26 1.61 -0.04 -1.26 -4.63 135.00 128.30 1sxa n PRO 60 Ca 0.00 -0.55 -0.40 0.00 -0.04 0.00 0.00 63.50 62.51 1sxa n PRO 60 Cb 0.00 -0.29 -0.03 0.00 -0.04 0.00 0.00 33.50 33.14 1sxa n PRO 60 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1sxa s HIS 61 N -1.41 3.18 0.02 0.54 3.76 -1.26 -0.56 115.29 119.56 1sxa s HIS 61 Ca 0.18 1.53 -0.32 0.00 -0.15 0.00 0.00 55.06 56.30 1sxa s HIS 61 Cb -0.01 -3.50 -0.10 0.00 1.11 0.00 0.00 32.58 30.08 1sxa s HIS 61 CO 0.12 -1.37 1.90 0.34 -0.85 0.00 0.00 174.74 174.88 1sxa n PHE 62 N 0.68 2.47 -2.99 1.40 7.35 -0.09 -4.52 117.46 121.75 1sxa n PHE 62 Ca 0.01 -0.19 -0.16 0.00 -0.76 0.00 0.00 57.45 56.35 1sxa n PHE 62 Cb 0.44 -2.73 -0.02 0.00 0.35 0.00 0.00 39.48 37.52 1sxa n PHE 62 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 1sxa n ASN 63 N 6.65 -1.33 0.29 -2.13 5.15 -1.26 -1.94 115.26 120.68 1sxa n ASN 63 Ca 0.20 -2.96 0.18 0.00 -0.60 0.00 0.00 54.58 51.40 1sxa n ASN 63 Cb 0.36 0.54 0.77 0.00 -0.53 0.00 0.00 39.78 40.92 1sxa n ASN 63 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1sxa h PRO 64 N 4.09 0.00 -0.41 1.20 0.13 -1.95 -2.82 132.00 132.24 1sxa h PRO 64 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1sxa h PRO 64 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 1sxa h PRO 64 CO 0.39 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.44 1sxa n LEU 65 N -3.08 3.09 -3.77 1.56 4.77 -1.26 -4.98 117.00 113.32 1sxa n LEU 65 Ca 0.00 -1.38 -0.24 0.00 -0.03 0.00 0.00 56.01 54.36 1sxa n LEU 65 Cb 0.27 -0.27 0.02 0.00 -2.33 0.00 0.00 43.42 41.11 1sxa n LEU 65 CO 0.26 0.69 -0.12 -1.20 -1.33 0.00 0.00 177.39 175.69 1sxa n SER 66 N 1.23 -1.45 -4.96 -1.43 7.64 -1.06 -5.02 113.62 108.57 1sxa n SER 66 Ca 0.19 -0.90 -0.22 0.00 1.01 0.00 0.00 58.87 58.95 1sxa n SER 66 Cb 0.53 -3.66 0.02 0.00 -1.01 0.00 0.00 64.21 60.09 1sxa n SER 66 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1sxa s LYS 67 N -6.13 2.36 0.56 1.43 1.02 -1.26 -5.13 119.74 112.58 1sxa s LYS 67 Ca 0.07 -1.74 -0.02 0.00 0.02 0.00 0.00 55.97 54.29 1sxa s LYS 67 Cb -0.02 -2.40 0.02 0.00 -0.52 0.00 0.00 37.83 34.90 1sxa s LYS 67 CO 0.84 -0.62 0.82 0.15 -0.92 0.00 0.00 175.35 175.63 1sxa s LYS 68 N -4.41 2.76 0.60 1.68 1.02 -1.26 -4.77 119.74 115.35 1sxa s LYS 68 Ca 0.49 -0.37 -0.18 0.00 0.02 0.00 0.00 55.97 55.92 1sxa s LYS 68 Cb -0.04 -2.39 -0.03 0.00 -0.52 0.00 0.00 37.83 34.84 1sxa s LYS 68 CO 0.30 -0.66 1.18 -1.58 -0.92 0.00 0.00 175.35 173.66 1sxa s HIS 69 N -2.85 2.47 0.00 3.18 5.65 -0.54 -3.35 115.29 119.85 1sxa s HIS 69 Ca 0.54 1.53 0.00 0.00 0.25 0.00 0.00 55.06 57.38 1sxa s HIS 69 Cb -0.10 -3.39 0.00 0.00 -1.18 0.00 0.00 32.58 27.90 1sxa s HIS 69 CO 0.41 -2.01 0.00 0.41 -0.65 0.00 0.00 174.74 172.90 1sxa n GLY 70 N 0.29 2.07 3.93 1.59 0.00 -1.25 -4.35 105.19 107.48 1sxa n GLY 70 Ca 0.13 -0.92 -0.25 0.00 0.00 0.00 0.00 46.02 44.97 1sxa n GLY 70 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sxa s GLY 71 N -0.92 1.55 0.53 -0.02 0.00 -1.22 -4.58 107.32 102.67 1sxa s GLY 71 Ca 0.00 -0.83 0.22 0.00 0.00 0.00 0.00 44.72 44.11 1sxa s GLY 71 CO 0.00 -0.63 2.05 -0.56 0.00 0.00 0.00 173.10 173.96 1sxa h PRO 72 N 0.19 0.00 -0.00 2.90 0.13 -1.89 -2.24 132.00 131.09 1sxa h PRO 72 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1sxa h PRO 72 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1sxa h PRO 72 CO 0.59 0.00 -0.32 1.63 -0.23 0.00 0.00 178.00 179.68 1sxa n LYS 73 N -4.42 0.50 -2.00 0.86 5.02 -1.26 -4.91 118.16 111.95 1sxa n LYS 73 Ca 0.05 -0.28 -0.30 0.00 -2.02 0.00 0.00 58.31 55.77 1sxa n LYS 73 Cb 0.44 -1.49 0.01 0.00 -0.02 0.00 0.00 35.03 33.96 1sxa n LYS 73 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1sxa s ASP 74 N -2.69 6.14 -0.01 4.39 1.01 -0.84 -4.98 116.67 119.68 1sxa s ASP 74 Ca 0.20 1.29 -0.20 0.00 0.71 0.00 0.00 52.55 54.55 1sxa s ASP 74 Cb 0.19 -2.36 -0.29 0.00 1.01 0.00 0.00 42.92 41.47 1sxa s ASP 74 CO 0.58 -0.88 0.99 -0.08 0.21 0.00 0.00 175.17 175.99 1sxa h GLU 75 N -0.27 0.39 -5.05 8.23 4.57 -1.91 -3.40 114.58 117.15 1sxa h GLU 75 Ca -0.45 -0.56 -0.67 0.00 -1.18 0.00 0.00 59.36 56.51 1sxa h GLU 75 Cb 1.20 0.19 -0.17 0.00 -0.16 0.00 0.00 28.75 29.81 1sxa h GLU 75 CO 0.62 1.23 0.32 -2.00 -1.18 0.00 0.00 179.01 178.00 1sxa s GLU 76 N -2.73 3.08 0.20 1.92 2.56 -1.26 -4.96 118.70 117.50 1sxa s GLU 76 Ca -0.13 -1.09 -0.17 0.00 0.00 0.00 0.00 54.97 53.59 1sxa s GLU 76 Cb 0.02 -4.25 0.03 0.00 2.00 0.00 0.00 34.13 31.93 1sxa s GLU 76 CO 0.85 -1.67 0.51 -0.98 -0.56 0.00 0.00 175.26 173.41 1sxa s ARG 77 N 3.33 1.37 0.39 4.30 1.70 -1.21 -3.84 118.95 124.99 1sxa s ARG 77 Ca 0.16 -0.89 -0.10 0.00 -0.47 0.00 0.00 55.73 54.44 1sxa s ARG 77 Cb -0.21 0.51 -0.06 0.00 -0.57 0.00 0.00 34.95 34.62 1sxa s ARG 77 CO 0.08 -0.58 0.75 -1.01 -1.08 0.00 0.00 175.30 173.46 1sxa s HIS 78 N -3.88 3.47 0.41 5.89 3.76 -1.21 -4.64 115.29 119.09 1sxa s HIS 78 Ca 0.10 1.00 0.13 0.00 -0.15 0.00 0.00 55.06 56.14 1sxa s HIS 78 Cb -0.01 -2.41 0.97 0.00 1.11 0.00 0.00 32.58 32.24 1sxa s HIS 78 CO -0.02 -0.08 1.95 0.28 -0.85 0.00 0.00 174.74 176.01 1sxa h VAL 79 N 1.11 0.88 0.00 -0.90 2.07 -1.89 -1.92 116.25 115.59 1sxa h VAL 79 Ca -0.47 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 66.88 1sxa h VAL 79 Cb 1.19 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1sxa h VAL 79 CO 0.64 0.09 0.00 0.61 0.02 0.00 0.00 177.57 178.93 1sxa n GLY 80 N -1.50 -0.99 3.56 2.17 0.00 -0.82 -4.55 105.19 103.05 1sxa n GLY 80 Ca 0.12 -0.09 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 1sxa n GLY 80 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sxa s ASP 81 N -2.62 6.03 -0.16 1.61 1.01 -0.73 -0.89 116.67 120.93 1sxa s ASP 81 Ca 0.18 -0.88 0.15 0.00 0.71 0.00 0.00 52.55 52.71 1sxa s ASP 81 Cb 0.14 -2.56 0.73 0.00 1.01 0.00 0.00 42.92 42.24 1sxa s ASP 81 CO 0.32 -1.92 1.63 0.18 0.21 0.00 0.00 175.17 175.59 1sxa n LEU 82 N 10.40 4.97 0.00 1.23 4.77 -1.14 -3.77 117.00 133.46 1sxa n LEU 82 Ca 0.26 -2.52 0.00 0.00 -0.03 0.00 0.00 56.01 53.73 1sxa n LEU 82 Cb 0.50 -0.62 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 1sxa n LEU 82 CO 0.66 0.70 0.00 0.61 -1.33 0.00 0.00 177.39 178.03 1sxa n GLY 83 N 0.88 0.57 3.36 -0.72 0.00 -1.25 -4.79 105.19 103.24 1sxa n GLY 83 Ca 0.25 -0.88 -0.25 0.00 0.00 0.00 0.00 46.02 45.14 1sxa n GLY 83 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1sxa s ASN 84 N -4.00 2.99 0.13 1.61 0.01 -1.26 -0.88 114.94 113.54 1sxa s ASN 84 Ca 0.00 -0.81 0.06 0.00 -0.71 0.00 0.00 52.86 51.41 1sxa s ASN 84 Cb 0.00 -0.19 -0.04 0.00 0.41 0.00 0.00 41.25 41.43 1sxa s ASN 84 CO 0.00 0.07 -0.02 0.68 -1.51 0.00 0.00 177.10 176.32 1sxa s VAL 85 N -1.57 3.75 -0.20 1.60 -7.23 -0.23 -4.88 120.40 111.66 1sxa s VAL 85 Ca 0.15 -1.25 -0.01 0.00 -1.81 0.00 0.00 61.98 59.06 1sxa s VAL 85 Cb -0.08 -2.83 0.01 0.00 0.56 0.00 0.00 36.38 34.04 1sxa s VAL 85 CO 0.07 0.01 -0.14 -0.89 -0.31 0.00 0.00 175.10 173.83 1sxa s THR 86 N -1.49 2.50 0.16 5.32 2.01 -1.26 -0.49 115.64 122.39 1sxa s THR 86 Ca 0.26 -0.82 -0.21 0.00 0.31 0.00 0.00 61.69 61.23 1sxa s THR 86 Cb -0.10 -2.10 -0.08 0.00 0.01 0.00 0.00 72.50 70.23 1sxa s THR 86 CO 0.18 0.48 0.68 0.00 -0.69 0.00 0.00 174.62 175.27 1sxa s ALA 87 N 1.35 3.49 0.86 7.40 0.00 0.11 -4.24 121.76 130.72 1sxa s ALA 87 Ca 0.05 0.15 -0.06 0.00 0.00 0.00 0.00 51.96 52.10 1sxa s ALA 87 Cb -0.14 -2.78 0.11 0.00 0.00 0.00 0.00 23.12 20.31 1sxa s ALA 87 CO -0.10 0.35 0.66 -0.40 0.00 0.00 0.00 175.76 176.28 1sxa n ASP 88 N 1.21 0.28 -0.26 0.00 5.68 -0.25 -1.66 116.55 121.56 1sxa n ASP 88 Ca -0.06 -1.38 0.16 0.00 -0.50 0.00 0.00 54.79 53.01 1sxa n ASP 88 Cb 0.50 -0.48 0.45 0.00 -1.14 0.00 0.00 41.12 40.44 1sxa n ASP 88 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 1sxa h LYS 89 N 0.00 0.52 -0.04 0.11 1.63 -1.97 -0.74 116.57 116.09 1sxa h LYS 89 Ca -0.22 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.55 1sxa h LYS 89 Cb 0.65 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 32.16 1sxa h LYS 89 CO 0.17 0.35 0.00 0.09 -3.45 0.00 0.00 179.45 176.61 1sxa n ASN 90 N -4.55 0.71 0.00 4.20 3.02 -1.26 -4.81 115.26 112.56 1sxa n ASN 90 Ca 0.19 -1.39 0.00 0.00 -0.03 0.00 0.00 54.58 53.35 1sxa n ASN 90 Cb 0.60 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.74 1sxa n ASN 90 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sxa n GLY 91 N 1.01 0.51 3.64 7.41 0.00 -0.28 -4.73 105.19 112.74 1sxa n GLY 91 Ca 0.18 -0.22 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 1sxa n GLY 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sxa s VAL 92 N -2.00 4.98 -0.12 1.61 1.01 -1.26 -1.48 120.40 123.14 1sxa s VAL 92 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.02 1sxa s VAL 92 Cb 0.00 -3.28 -0.02 0.00 0.00 0.00 0.00 36.38 33.09 1sxa s VAL 92 CO 0.00 0.42 -0.13 0.00 0.00 0.00 0.00 175.10 175.39 1sxa s ALA 93 N 0.67 2.65 -0.17 5.51 0.00 0.91 -1.09 121.76 130.25 1sxa s ALA 93 Ca 0.05 -0.90 -0.08 0.00 0.00 0.00 0.00 51.96 51.03 1sxa s ALA 93 Cb -0.13 -1.19 -0.04 0.00 0.00 0.00 0.00 23.12 21.76 1sxa s ALA 93 CO 0.01 0.30 0.12 0.42 0.00 0.00 0.00 175.76 176.61 1sxa s ILE 94 N 0.17 5.29 -0.20 0.00 -1.09 -1.26 -1.18 121.20 122.93 1sxa s ILE 94 Ca -0.07 0.14 -0.10 0.00 -2.23 0.00 0.00 60.65 58.39 1sxa s ILE 94 Cb -0.15 -3.37 -0.05 0.00 -1.58 0.00 0.00 42.46 37.31 1sxa s ILE 94 CO 0.05 0.50 0.13 -0.69 -1.23 0.00 0.00 174.94 173.70 1sxa s VAL 95 N -0.10 5.36 -0.39 2.92 1.01 -0.37 -4.77 120.40 124.06 1sxa s VAL 95 Ca 0.10 0.17 0.04 0.00 0.00 0.00 0.00 61.98 62.29 1sxa s VAL 95 Cb -0.12 -3.45 0.16 0.00 0.00 0.00 0.00 36.38 32.98 1sxa s VAL 95 CO 0.00 0.43 0.43 -0.62 0.00 0.00 0.00 175.10 175.35 1sxa s ASP 96 N 0.43 0.63 0.08 3.32 -1.08 -1.23 -2.71 116.67 116.11 1sxa s ASP 96 Ca 0.08 -1.59 0.07 0.00 -0.52 0.00 0.00 52.55 50.59 1sxa s ASP 96 Cb -0.11 0.78 -0.03 0.00 -1.46 0.00 0.00 42.92 42.10 1sxa s ASP 96 CO -0.01 -0.23 -0.18 -0.63 0.52 0.00 0.00 175.17 174.65 1sxa s ILE 97 N 1.35 1.41 -0.08 4.11 1.01 -0.16 -5.00 121.20 123.85 1sxa s ILE 97 Ca 0.19 -1.40 0.03 0.00 0.00 0.00 0.00 60.65 59.47 1sxa s ILE 97 Cb -0.12 -1.31 0.01 0.00 0.01 0.00 0.00 42.46 41.05 1sxa s ILE 97 CO -0.04 -0.13 -0.18 -0.69 0.00 0.00 0.00 174.94 173.90 1sxa s VAL 98 N -1.19 1.58 -0.01 2.92 1.01 -1.26 -0.76 120.40 122.69 1sxa s VAL 98 Ca 0.02 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.28 1sxa s VAL 98 Cb -0.10 -1.39 -0.00 0.00 0.00 0.00 0.00 36.38 34.89 1sxa s VAL 98 CO 0.03 0.45 -0.07 -0.62 0.00 0.00 0.00 175.10 174.90 1sxa s ASP 99 N 0.46 0.86 0.00 3.32 2.15 -0.91 -5.01 116.67 117.54 1sxa s ASP 99 Ca -0.16 -0.13 0.27 0.00 0.43 0.00 0.00 52.55 52.96 1sxa s ASP 99 Cb -0.16 -0.13 0.80 0.00 -0.30 0.00 0.00 42.92 43.12 1sxa s ASP 99 CO 0.06 0.07 1.60 -0.81 -0.17 0.00 0.00 175.17 175.93 1sxa n PRO 100 N 3.03 0.33 -0.11 4.34 -0.04 -1.26 -3.46 135.00 137.82 1sxa n PRO 100 Ca -0.15 -0.16 -0.15 0.00 -0.04 0.00 0.00 63.50 63.00 1sxa n PRO 100 Cb 0.57 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.42 1sxa n PRO 100 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1sxa n LEU 101 N -1.19 2.81 -4.80 1.53 4.77 -1.26 -4.99 117.00 113.87 1sxa n LEU 101 Ca 0.09 -0.12 -0.30 0.00 -0.03 0.00 0.00 56.01 55.65 1sxa n LEU 101 Cb 0.33 -0.73 0.08 0.00 -2.33 0.00 0.00 43.42 40.77 1sxa n LEU 101 CO 0.30 0.86 0.71 0.27 -1.33 0.00 0.00 177.39 178.20 1sxa s ILE 102 N -2.46 3.26 0.21 -0.08 -4.36 -1.26 -4.86 121.20 111.65 1sxa s ILE 102 Ca -0.29 0.41 -0.12 0.00 -0.26 0.00 0.00 60.65 60.39 1sxa s ILE 102 Cb 0.08 -3.13 -0.00 0.00 1.25 0.00 0.00 42.46 40.65 1sxa s ILE 102 CO 0.54 -0.53 0.40 -0.55 0.24 0.00 0.00 174.94 175.03 1sxa s SER 103 N -3.84 -0.06 0.00 4.36 0.15 -0.83 -4.68 113.70 108.80 1sxa s SER 103 Ca 0.60 -0.87 0.17 0.00 0.70 0.00 0.00 55.95 56.55 1sxa s SER 103 Cb -0.15 0.52 0.36 0.00 -1.71 0.00 0.00 66.02 65.05 1sxa s SER 103 CO 0.55 -1.03 1.28 0.18 1.20 0.00 0.00 173.24 175.42 1sxa n LEU 104 N -0.31 3.12 -3.49 3.45 4.77 -1.26 -1.35 117.00 121.92 1sxa n LEU 104 Ca -0.04 -1.65 -0.16 0.00 -0.03 0.00 0.00 56.01 54.13 1sxa n LEU 104 Cb 0.63 -0.24 -0.05 0.00 -2.33 0.00 0.00 43.42 41.43 1sxa n LEU 104 CO 0.23 0.72 0.45 -0.94 -1.33 0.00 0.00 177.39 176.52 1sxa s SER 105 N -1.17 -0.61 0.00 -1.43 1.04 -1.26 -3.42 113.70 106.85 1sxa s SER 105 Ca 0.31 0.47 0.00 0.00 0.48 0.00 0.00 55.95 57.21 1sxa s SER 105 Cb 0.18 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.84 1sxa s SER 105 CO 0.24 -0.70 0.00 0.61 0.98 0.00 0.00 173.24 174.37 1sxa n GLY 106 N 0.49 -1.77 0.33 7.32 0.00 -1.26 -4.06 105.19 106.23 1sxa n GLY 106 Ca -0.18 -1.59 0.11 0.00 0.00 0.00 0.00 46.02 44.36 1sxa n GLY 106 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1sxa h GLU 107 N 0.00 0.30 -0.64 1.61 4.81 -2.01 -1.44 114.58 117.21 1sxa h GLU 107 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1sxa h GLU 107 Cb 0.00 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.31 1sxa h GLU 107 CO 0.00 0.20 0.00 0.66 -0.73 0.00 0.00 179.01 179.14 1sxa n TYR 108 N -4.47 1.44 -1.96 0.92 4.01 -1.26 -4.98 117.16 110.86 1sxa n TYR 108 Ca 0.06 -0.56 -0.41 0.00 -0.16 0.00 0.00 57.90 56.83 1sxa n TYR 108 Cb 0.29 -0.28 -0.02 0.00 -0.31 0.00 0.00 39.34 39.02 1sxa n TYR 108 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1sxa s SER 109 N -0.81 6.58 0.00 7.72 0.15 -0.55 -1.96 113.70 124.83 1sxa s SER 109 Ca 0.46 2.79 0.17 0.00 0.70 0.00 0.00 55.95 60.07 1sxa s SER 109 Cb 0.31 -2.64 0.30 0.00 -1.71 0.00 0.00 66.02 62.28 1sxa s SER 109 CO 0.20 -0.73 1.21 2.30 1.20 0.00 0.00 173.24 177.43 1sxa n ILE 110 N 1.56 0.47 -2.04 6.45 -5.35 -0.46 -4.90 119.36 115.09 1sxa n ILE 110 Ca 0.04 -0.73 -0.42 0.00 -0.27 0.00 0.00 62.75 61.37 1sxa n ILE 110 Cb 0.40 0.96 -0.03 0.00 -1.74 0.00 0.00 39.64 39.24 1sxa n ILE 110 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1sxa s ILE 111 N -1.24 2.80 0.00 7.28 -1.09 -1.26 -2.03 121.20 125.65 1sxa s ILE 111 Ca 0.28 0.64 0.00 0.00 -2.23 0.00 0.00 60.65 59.33 1sxa s ILE 111 Cb 0.17 -3.41 0.00 0.00 -1.58 0.00 0.00 42.46 37.64 1sxa s ILE 111 CO 0.23 0.08 0.00 0.61 -1.23 0.00 0.00 174.94 174.63 1sxa n GLY 112 N 2.72 0.90 2.08 6.18 0.00 0.11 -4.99 105.19 112.19 1sxa n GLY 112 Ca 0.09 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.98 1sxa n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sxa n ARG 113 N -2.00 0.98 -5.01 1.61 1.74 -0.86 -2.40 116.66 110.71 1sxa n ARG 113 Ca 0.00 -1.82 -0.32 0.00 -0.77 0.00 0.00 57.85 54.94 1sxa n ARG 113 Cb 0.00 0.11 -0.16 0.00 -1.02 0.00 0.00 32.46 31.39 1sxa n ARG 113 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1sxa s THR 114 N -1.33 2.56 -0.03 0.55 2.01 -1.00 -1.05 115.64 117.34 1sxa s THR 114 Ca 0.21 -0.85 -0.24 0.00 0.31 0.00 0.00 61.69 61.13 1sxa s THR 114 Cb -0.02 -2.02 -0.04 0.00 0.01 0.00 0.00 72.50 70.43 1sxa s THR 114 CO 0.14 0.55 0.71 -0.32 -0.69 0.00 0.00 174.62 175.01 1sxa s MET 115 N 0.23 4.44 -0.06 4.92 1.75 -0.79 -0.39 119.30 129.40 1sxa s MET 115 Ca -0.12 0.93 0.04 0.00 -1.25 0.00 0.00 55.69 55.29 1sxa s MET 115 Cb -0.16 -3.42 -0.00 0.00 2.84 0.00 0.00 34.83 34.09 1sxa s MET 115 CO 0.06 0.14 -0.19 0.08 -0.65 0.00 0.00 175.02 174.46 1sxa s VAL 116 N 0.53 1.61 -0.19 10.11 1.01 -0.17 -2.29 120.40 131.01 1sxa s VAL 116 Ca 0.38 -0.80 -0.06 0.00 0.00 0.00 0.00 61.98 61.50 1sxa s VAL 116 Cb -0.18 -1.39 -0.03 0.00 0.00 0.00 0.00 36.38 34.78 1sxa s VAL 116 CO 0.19 0.46 0.03 0.54 0.00 0.00 0.00 175.10 176.32 1sxa s VAL 117 N 0.14 4.36 0.27 2.92 0.11 -0.83 -2.02 120.40 125.35 1sxa s VAL 117 Ca -0.08 -0.18 0.05 0.00 -2.93 0.00 0.00 61.98 58.85 1sxa s VAL 117 Cb -0.14 -2.97 -0.02 0.00 -1.53 0.00 0.00 36.38 31.72 1sxa s VAL 117 CO 0.04 0.44 0.40 -1.00 -3.33 0.00 0.00 175.10 171.64 1sxa s HIS 118 N 0.72 3.35 0.16 1.54 3.76 0.20 -1.79 115.29 123.23 1sxa s HIS 118 Ca 0.02 -0.07 -0.11 0.00 -0.15 0.00 0.00 55.06 54.75 1sxa s HIS 118 Cb -0.14 -1.70 0.03 0.00 1.11 0.00 0.00 32.58 31.88 1sxa s HIS 118 CO 0.02 0.30 1.60 1.49 -0.85 0.00 0.00 174.74 177.30 1sxa h GLU 119 N 1.08 0.92 -5.82 1.40 4.81 -0.79 -3.38 114.58 112.80 1sxa h GLU 119 Ca -0.50 -0.30 -0.58 0.00 -0.13 0.00 0.00 59.36 57.84 1sxa h GLU 119 Cb 1.24 -0.08 -0.07 0.00 0.63 0.00 0.00 28.75 30.47 1sxa h GLU 119 CO 0.59 0.96 -0.42 0.15 -0.73 0.00 0.00 179.01 179.56 1sxa s LYS 120 N -4.98 2.26 0.53 1.92 -0.14 -0.32 -4.88 119.74 114.13 1sxa s LYS 120 Ca -0.12 -1.97 -0.21 0.00 -1.36 0.00 0.00 55.97 52.31 1sxa s LYS 120 Cb 0.12 -1.99 -0.05 0.00 -1.68 0.00 0.00 37.83 34.23 1sxa s LYS 120 CO 0.83 -0.35 1.20 -2.14 -0.76 0.00 0.00 175.35 174.14 1sxa s PRO 121 N -4.06 3.32 -0.14 -1.68 0.02 -1.10 -1.69 135.00 129.67 1sxa s PRO 121 Ca 0.34 1.84 -0.22 0.00 0.02 0.00 0.00 61.00 62.97 1sxa s PRO 121 Cb 0.01 -2.15 -0.03 0.00 0.02 0.00 0.00 34.50 32.35 1sxa s PRO 121 CO 0.19 -0.93 0.68 0.34 -0.33 0.00 0.00 177.00 176.96 1sxa s ASP 122 N -1.44 6.84 0.00 2.53 -1.08 -1.26 -4.09 116.67 118.17 1sxa s ASP 122 Ca 0.71 1.02 0.28 0.00 -0.52 0.00 0.00 52.55 54.04 1sxa s ASP 122 Cb -0.30 -2.39 1.28 0.00 -1.46 0.00 0.00 42.92 40.05 1sxa s ASP 122 CO 0.35 -0.22 1.87 -0.90 0.52 0.00 0.00 175.17 176.78 1sxa n ASP 123 N 4.53 0.95 -1.81 -0.34 5.68 -0.49 -4.90 116.55 120.16 1sxa n ASP 123 Ca -0.01 -1.37 -0.15 0.00 -0.50 0.00 0.00 54.79 52.76 1sxa n ASP 123 Cb 0.50 -0.01 -0.00 0.00 -1.14 0.00 0.00 41.12 40.47 1sxa n ASP 123 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1sxa n LEU 124 N -0.24 -1.80 0.00 -2.12 4.77 -1.26 -2.50 117.00 113.85 1sxa n LEU 124 Ca 0.20 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 1sxa n LEU 124 Cb 0.25 -2.28 0.00 0.00 -2.33 0.00 0.00 43.42 39.06 1sxa n LEU 124 CO 0.16 -0.11 0.00 0.61 -1.33 0.00 0.00 177.39 176.72 1sxa n GLY 125 N -1.06 0.74 1.24 -0.72 0.00 -1.24 -3.39 105.19 100.75 1sxa n GLY 125 Ca -0.17 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.94 1sxa n GLY 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sxa n ARG 126 N -2.36 3.60 0.22 1.61 1.74 -1.04 -4.61 116.66 115.82 1sxa n ARG 126 Ca 0.00 -2.91 0.12 0.00 -0.77 0.00 0.00 57.85 54.29 1sxa n ARG 126 Cb 0.01 -1.95 0.22 0.00 -1.02 0.00 0.00 32.46 29.72 1sxa n ARG 126 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1sxa h GLY 127 N 2.65 0.00 0.00 -0.13 0.00 -1.90 -3.48 103.07 100.20 1sxa h GLY 127 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1sxa h GLY 127 CO 0.30 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.45 1sxa n GLY 128 N 0.98 0.74 3.69 4.60 0.00 -1.26 -5.03 105.19 108.91 1sxa n GLY 128 Ca 0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.80 1sxa n GLY 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sxa s ASN 129 N -2.43 4.21 0.21 1.61 2.20 -1.26 -5.03 114.94 114.44 1sxa s ASN 129 Ca 0.00 -1.18 -0.09 0.00 -0.94 0.00 0.00 52.86 50.66 1sxa s ASN 129 Cb 0.00 -0.46 0.23 0.00 -2.00 0.00 0.00 41.25 39.03 1sxa s ASN 129 CO 0.00 -0.48 1.83 -0.08 -2.94 0.00 0.00 177.10 175.43 1sxa h GLU 130 N 1.59 0.78 -0.83 3.55 4.81 -2.01 -2.70 114.58 119.76 1sxa h GLU 130 Ca -0.43 -0.05 0.17 0.00 -0.13 0.00 0.00 59.36 58.93 1sxa h GLU 130 Cb 1.25 -0.18 -0.06 0.00 0.63 0.00 0.00 28.75 30.39 1sxa h GLU 130 CO 0.74 0.51 0.55 1.49 -0.73 0.00 0.00 179.01 181.57 1sxa h GLU 131 N 0.80 0.41 -0.75 1.92 4.57 -2.00 -1.57 114.58 117.97 1sxa h GLU 131 Ca 0.30 -0.02 0.06 0.00 -1.18 0.00 0.00 59.36 58.52 1sxa h GLU 131 Cb 0.12 -0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 28.57 1sxa h GLU 131 CO -0.15 0.27 0.49 1.03 -1.18 0.00 0.00 179.01 179.47 1sxa h SER 132 N 0.43 0.70 0.70 1.04 0.87 -1.82 -0.99 113.55 114.47 1sxa h SER 132 Ca 0.42 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.98 1sxa h SER 132 Cb 0.99 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.81 1sxa h SER 132 CO -0.15 0.45 0.00 0.35 -0.53 0.00 0.00 176.83 176.95 1sxa n THR 133 N -4.48 0.41 -0.05 2.23 -2.24 -0.59 -1.21 114.28 108.35 1sxa n THR 133 Ca 0.11 0.10 -0.10 0.00 -2.27 0.00 0.00 64.05 61.89 1sxa n THR 133 Cb 0.22 -0.72 -0.04 0.00 -2.10 0.00 0.00 70.33 67.69 1sxa n THR 133 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1sxa n LYS 134 N -1.45 0.21 0.00 -0.78 5.02 -0.50 -1.46 118.16 119.20 1sxa n LYS 134 Ca 0.07 0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.45 1sxa n LYS 134 Cb 0.25 -0.88 0.00 0.00 -0.02 0.00 0.00 35.03 34.38 1sxa n LYS 134 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1sxa n THR 135 N -3.39 0.05 -1.20 -0.18 -2.24 -0.50 -4.66 114.28 102.16 1sxa n THR 135 Ca -0.19 -0.26 -0.07 0.00 -2.27 0.00 0.00 64.05 61.26 1sxa n THR 135 Cb 0.64 1.45 -0.03 0.00 -2.10 0.00 0.00 70.33 70.29 1sxa n THR 135 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sxa n GLY 136 N -0.03 0.91 2.68 3.38 0.00 -0.35 -2.98 105.19 108.80 1sxa n GLY 136 Ca 0.00 -0.57 -0.20 0.00 0.00 0.00 0.00 46.02 45.26 1sxa n GLY 136 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1sxa n ASN 137 N 0.51 -5.31 0.06 1.61 3.02 -1.25 -1.40 115.26 112.50 1sxa n ASN 137 Ca -0.07 -0.08 0.13 0.00 -0.03 0.00 0.00 54.58 54.53 1sxa n ASN 137 Cb 0.26 -4.39 0.49 0.00 -0.61 0.00 0.00 39.78 35.53 1sxa n ASN 137 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sxa n ALA 138 N -2.64 2.26 -0.04 5.41 0.00 -1.16 -4.71 120.51 119.62 1sxa n ALA 138 Ca -0.16 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1sxa n ALA 138 Cb 0.64 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.63 1sxa n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sxa n GLY 139 N 1.29 -1.06 3.76 0.00 0.00 -1.26 -1.17 105.19 106.74 1sxa n GLY 139 Ca 0.06 -1.23 -0.31 0.00 0.00 0.00 0.00 46.02 44.54 1sxa n GLY 139 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sxa s SER 140 N -4.00 4.42 -0.62 1.61 1.04 -1.26 -4.66 113.70 110.23 1sxa s SER 140 Ca 0.00 1.80 -0.21 0.00 0.48 0.00 0.00 55.95 58.02 1sxa s SER 140 Cb 0.00 -2.50 0.08 0.00 0.10 0.00 0.00 66.02 63.70 1sxa s SER 140 CO 0.00 -2.09 0.86 -0.13 0.98 0.00 0.00 173.24 172.86 1sxa s ARG 141 N -4.90 3.11 0.22 4.02 0.52 -1.26 -0.54 118.95 120.12 1sxa s ARG 141 Ca 0.61 -0.92 0.00 0.00 -0.52 0.00 0.00 55.73 54.90 1sxa s ARG 141 Cb -0.17 -4.21 0.21 0.00 0.52 0.00 0.00 34.95 31.30 1sxa s ARG 141 CO 0.56 -1.65 1.56 -0.07 0.02 0.00 0.00 175.30 175.72 1sxa h LEU 142 N 10.77 0.48 -7.00 2.53 3.38 -1.67 -3.47 115.31 120.34 1sxa h LEU 142 Ca -0.29 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.39 1sxa h LEU 142 Cb 1.08 -0.14 -0.17 0.00 0.09 0.00 0.00 40.66 41.52 1sxa h LEU 142 CO 1.13 0.91 0.21 0.00 0.09 0.00 0.00 178.44 180.78 1sxa s ALA 143 N -4.00 -1.73 0.23 1.53 0.00 -1.23 -4.00 121.76 112.55 1sxa s ALA 143 Ca -0.06 1.12 -0.22 0.00 0.00 0.00 0.00 51.96 52.80 1sxa s ALA 143 Cb 0.12 0.20 0.04 0.00 0.00 0.00 0.00 23.12 23.48 1sxa s ALA 143 CO 0.82 -0.47 0.73 0.00 0.00 0.00 0.00 175.76 176.84 1sxa s GLY 145 N -2.87 -0.47 0.14 0.00 0.00 -0.97 -1.59 107.32 101.57 1sxa s GLY 145 Ca 0.09 1.24 -0.27 0.00 0.00 0.00 0.00 44.72 45.78 1sxa s GLY 145 CO 0.02 0.62 0.83 0.14 0.00 0.00 0.00 173.10 174.70 1sxa s VAL 146 N -2.30 4.42 -0.21 1.40 1.01 -1.26 -1.89 120.40 121.57 1sxa s VAL 146 Ca -0.01 1.80 -0.25 0.00 0.00 0.00 0.00 61.98 63.52 1sxa s VAL 146 Cb -0.01 -4.19 -0.01 0.00 0.00 0.00 0.00 36.38 32.17 1sxa s VAL 146 CO -0.03 0.45 0.86 -0.63 0.00 0.00 0.00 175.10 175.75 1sxa s ILE 147 N -0.75 4.83 0.29 2.22 1.01 -0.21 -4.53 121.20 124.06 1sxa s ILE 147 Ca 0.39 1.65 0.10 0.00 0.00 0.00 0.00 60.65 62.79 1sxa s ILE 147 Cb -0.23 -4.15 -0.05 0.00 0.01 0.00 0.00 42.46 38.04 1sxa s ILE 147 CO 0.27 -0.05 -0.15 -0.83 0.00 0.00 0.00 174.94 174.18 1sxa s GLY 148 N 1.25 1.90 0.15 6.18 0.00 -0.44 0.05 107.32 116.42 1sxa s GLY 148 Ca 0.37 -1.91 -0.31 0.00 0.00 0.00 0.00 44.72 42.87 1sxa s GLY 148 CO 0.09 -1.95 1.43 -0.42 0.00 0.00 0.00 173.10 172.26 1sxa s ILE 149 N -2.65 3.04 0.36 0.90 1.01 -1.26 -0.92 121.20 121.68 1sxa s ILE 149 Ca 0.30 0.77 0.08 0.00 0.00 0.00 0.00 60.65 61.80 1sxa s ILE 149 Cb -0.02 -3.49 -0.04 0.00 0.01 0.00 0.00 42.46 38.92 1sxa s ILE 149 CO 0.14 0.07 0.16 0.00 0.00 0.00 0.00 174.94 175.31 1sxa s ALA 150 N 0.87 3.54 -2.00 9.38 0.00 -0.39 -4.79 121.76 128.37 1sxa s ALA 150 Ca 0.64 -1.89 0.30 0.00 0.00 0.00 0.00 51.96 51.02 1sxa s ALA 150 Cb -0.39 -0.68 1.81 0.00 0.00 0.00 0.00 23.12 23.86 1sxa s ALA 150 CO 0.33 -0.02 2.14 1.17 0.00 0.00 0.00 175.76 179.38