#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sxn n THR 2 N 0.00 0.00 -4.47 0.00 -2.24 -1.26 -4.54 114.28 101.77 1sxn n THR 2 Ca 0.00 -0.26 -0.22 0.00 -2.27 0.00 0.00 64.05 61.30 1sxn n THR 2 Cb 0.00 0.73 -0.14 0.00 -2.10 0.00 0.00 70.33 68.83 1sxn n THR 2 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1sxn s LYS 3 N -1.66 1.12 0.12 -0.78 1.02 -1.26 -0.93 119.74 117.36 1sxn s LYS 3 Ca 0.00 -0.83 -0.02 0.00 0.02 0.00 0.00 55.97 55.14 1sxn s LYS 3 Cb 0.01 -1.17 -0.04 0.00 -0.52 0.00 0.00 37.83 36.12 1sxn s LYS 3 CO 0.09 0.29 0.06 0.00 -0.92 0.00 0.00 175.35 174.87 1sxn s ALA 4 N -0.82 0.67 -0.03 5.17 0.00 -0.13 -1.93 121.76 124.69 1sxn s ALA 4 Ca 0.04 -1.33 -0.14 0.00 0.00 0.00 0.00 51.96 50.53 1sxn s ALA 4 Cb -0.08 0.73 0.02 0.00 0.00 0.00 0.00 23.12 23.79 1sxn s ALA 4 CO 0.01 -0.48 0.31 0.54 0.00 0.00 0.00 175.76 176.14 1sxn s VAL 5 N -4.01 0.05 -0.03 0.00 0.11 -0.40 -1.56 120.40 114.56 1sxn s VAL 5 Ca 0.19 -0.41 0.01 0.00 -2.93 0.00 0.00 61.98 58.84 1sxn s VAL 5 Cb 0.07 -0.58 0.02 0.00 -1.53 0.00 0.00 36.38 34.35 1sxn s VAL 5 CO -0.01 -0.23 -0.03 0.00 -3.33 0.00 0.00 175.10 171.50 1sxn s VAL 7 N 0.69 3.84 -0.04 0.00 1.01 -1.26 -0.75 120.40 123.89 1sxn s VAL 7 Ca -0.08 -0.87 -0.21 0.00 0.00 0.00 0.00 61.98 60.83 1sxn s VAL 7 Cb -0.11 -3.05 -0.05 0.00 0.00 0.00 0.00 36.38 33.17 1sxn s VAL 7 CO -0.01 -0.00 0.60 -0.76 0.00 0.00 0.00 175.10 174.93 1sxn s LEU 8 N 1.46 4.37 0.02 3.92 1.43 0.18 -4.04 118.68 126.02 1sxn s LEU 8 Ca 0.01 1.11 -0.09 0.00 -1.03 0.00 0.00 54.13 54.13 1sxn s LEU 8 Cb -0.18 -2.92 0.00 0.00 0.03 0.00 0.00 46.19 43.12 1sxn s LEU 8 CO 0.02 0.03 0.19 -0.54 0.23 0.00 0.00 176.35 176.28 1sxn s LYS 9 N 0.18 0.62 0.00 1.70 1.02 -0.69 -2.69 119.74 119.88 1sxn s LYS 9 Ca 0.32 -0.51 0.00 0.00 0.02 0.00 0.00 55.97 55.80 1sxn s LYS 9 Cb -0.18 0.26 0.00 0.00 -0.52 0.00 0.00 37.83 37.39 1sxn s LYS 9 CO 0.16 -0.17 0.00 0.41 -0.92 0.00 0.00 175.35 174.83 1sxn n GLY 10 N 0.99 3.25 0.21 -3.33 0.00 -1.24 -0.66 105.19 104.41 1sxn n GLY 10 Ca -0.20 -1.30 0.11 0.00 0.00 0.00 0.00 46.02 44.62 1sxn n GLY 10 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1sxn h ASP 11 N 0.00 0.00 0.00 1.61 3.32 -1.92 -3.46 116.42 115.97 1sxn h ASP 11 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1sxn h ASP 11 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1sxn h ASP 11 CO 0.00 0.11 0.00 0.61 -1.72 0.00 0.00 179.24 178.24 1sxn n GLY 12 N 0.87 2.15 0.01 2.75 0.00 -1.26 -5.02 105.19 104.69 1sxn n GLY 12 Ca 0.03 -1.81 0.13 0.00 0.00 0.00 0.00 46.02 44.37 1sxn n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1sxn n PRO 13 N 0.00 0.03 -2.39 1.61 -0.04 -1.26 -4.88 135.00 128.07 1sxn n PRO 13 Ca 0.00 0.02 -0.42 0.00 -0.04 0.00 0.00 63.50 63.06 1sxn n PRO 13 Cb 0.00 -1.53 -0.03 0.00 -0.04 0.00 0.00 33.50 31.90 1sxn n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1sxn s VAL 14 N -3.02 3.80 0.05 0.52 1.01 -1.26 -4.46 120.40 117.04 1sxn s VAL 14 Ca 0.12 1.38 -0.08 0.00 0.00 0.00 0.00 61.98 63.40 1sxn s VAL 14 Cb 0.18 -3.88 -0.00 0.00 0.00 0.00 0.00 36.38 32.67 1sxn s VAL 14 CO 0.62 0.16 0.16 0.00 0.00 0.00 0.00 175.10 176.04 1sxn s GLN 15 N 0.50 0.68 0.00 2.72 -2.07 -1.16 -3.68 119.66 116.65 1sxn s GLN 15 Ca 0.56 -0.73 0.00 0.00 -1.82 0.00 0.00 55.36 53.37 1sxn s GLN 15 Cb -0.31 0.28 0.00 0.00 -1.09 0.00 0.00 33.01 31.88 1sxn s GLN 15 CO 0.32 -0.19 0.00 0.41 -1.32 0.00 0.00 175.29 174.51 1sxn n GLY 16 N 0.58 1.10 2.94 2.60 0.00 -1.10 -0.98 105.19 110.33 1sxn n GLY 16 Ca -0.18 -0.74 -0.27 0.00 0.00 0.00 0.00 46.02 44.83 1sxn n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sxn s THR 17 N -2.00 1.13 -0.08 2.61 2.01 -1.11 0.49 115.64 118.68 1sxn s THR 17 Ca 0.00 -0.37 0.02 0.00 0.31 0.00 0.00 61.69 61.65 1sxn s THR 17 Cb 0.00 -1.11 -0.02 0.00 0.01 0.00 0.00 72.50 71.38 1sxn s THR 17 CO 0.00 0.38 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.55 1sxn s ILE 18 N 1.50 3.10 -0.04 1.82 -1.09 0.07 -2.71 121.20 123.85 1sxn s ILE 18 Ca 0.02 -0.69 0.01 0.00 -2.23 0.00 0.00 60.65 57.76 1sxn s ILE 18 Cb -0.13 -2.25 -0.03 0.00 -1.58 0.00 0.00 42.46 38.47 1sxn s ILE 18 CO -0.07 0.57 -0.04 -1.00 -1.23 0.00 0.00 174.94 173.17 1sxn s HIS 19 N -0.38 3.00 -0.02 3.97 3.76 -0.31 -0.23 115.29 125.08 1sxn s HIS 19 Ca 0.04 0.05 0.04 0.00 -0.15 0.00 0.00 55.06 55.05 1sxn s HIS 19 Cb -0.12 -1.69 -0.01 0.00 1.11 0.00 0.00 32.58 31.87 1sxn s HIS 19 CO 0.02 0.40 -0.14 -0.06 -0.85 0.00 0.00 174.74 174.11 1sxn s PHE 20 N -0.93 1.30 -0.04 1.40 0.40 -0.60 -1.33 117.98 118.17 1sxn s PHE 20 Ca 0.15 -0.28 -0.01 0.00 -0.60 0.00 0.00 56.93 56.19 1sxn s PHE 20 Cb -0.11 -0.85 0.03 0.00 0.51 0.00 0.00 43.02 42.60 1sxn s PHE 20 CO 0.05 -0.05 0.08 -2.00 0.70 0.00 0.00 175.22 174.00 1sxn s GLU 21 N -0.21 0.01 -0.11 0.44 2.12 -0.84 -0.96 118.70 119.15 1sxn s GLU 21 Ca 0.03 0.31 -0.30 0.00 0.36 0.00 0.00 54.97 55.37 1sxn s GLU 21 Cb -0.07 -0.26 -0.01 0.00 0.26 0.00 0.00 34.13 34.05 1sxn s GLU 21 CO -0.00 -0.20 1.03 0.00 -0.54 0.00 0.00 175.26 175.55 1sxn s ALA 22 N 1.35 3.44 -0.31 6.30 0.00 -0.11 -0.41 121.76 132.02 1sxn s ALA 22 Ca -0.06 0.38 -0.00 0.00 0.00 0.00 0.00 51.96 52.28 1sxn s ALA 22 Cb -0.12 -3.46 0.10 0.00 0.00 0.00 0.00 23.12 19.64 1sxn s ALA 22 CO -0.04 -0.67 0.09 0.15 0.00 0.00 0.00 175.76 175.30 1sxn s LYS 23 N 2.15 0.78 7.77 0.00 3.01 -0.66 -4.95 119.74 127.86 1sxn s LYS 23 Ca 0.49 -1.15 0.00 0.00 -1.01 0.00 0.00 55.97 54.29 1sxn s LYS 23 Cb -0.19 -2.10 0.00 0.00 -1.01 0.00 0.00 37.83 34.53 1sxn s LYS 23 CO 0.17 -0.98 0.00 0.41 0.51 0.00 0.00 175.35 175.46 1sxn n GLY 24 N 4.78 4.19 1.52 -3.33 0.00 -1.26 -1.02 105.19 110.07 1sxn n GLY 24 Ca -0.01 0.11 0.08 0.00 0.00 0.00 0.00 46.02 46.19 1sxn n GLY 24 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sxn n ASP 25 N 7.97 5.05 -4.60 1.61 8.00 -1.26 -4.94 116.55 128.39 1sxn n ASP 25 Ca 0.00 -2.96 -0.28 0.00 0.71 0.00 0.00 54.79 52.26 1sxn n ASP 25 Cb 0.00 -0.63 -0.10 0.00 -0.02 0.00 0.00 41.12 40.36 1sxn n ASP 25 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1sxn s THR 26 N -2.78 1.74 -0.05 -3.53 -4.23 -0.19 -4.49 115.64 102.11 1sxn s THR 26 Ca 0.50 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 59.03 1sxn s THR 26 Cb 0.39 -2.85 0.02 0.00 1.34 0.00 0.00 72.50 71.40 1sxn s THR 26 CO 0.13 0.00 -0.08 -0.69 -0.54 0.00 0.00 174.62 173.45 1sxn s VAL 27 N -2.83 0.78 -0.34 2.29 1.01 0.13 -1.65 120.40 119.79 1sxn s VAL 27 Ca 0.31 -0.28 -0.15 0.00 0.00 0.00 0.00 61.98 61.87 1sxn s VAL 27 Cb 0.09 -0.75 -0.01 0.00 0.00 0.00 0.00 36.38 35.70 1sxn s VAL 27 CO 0.16 0.28 0.33 -0.69 0.00 0.00 0.00 175.10 175.17 1sxn s VAL 28 N 0.75 5.20 -0.30 2.92 1.01 0.45 -0.32 120.40 130.10 1sxn s VAL 28 Ca -0.12 -0.01 -0.11 0.00 0.00 0.00 0.00 61.98 61.73 1sxn s VAL 28 Cb -0.15 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 1sxn s VAL 28 CO 0.02 -0.06 0.20 -0.69 0.00 0.00 0.00 175.10 174.56 1sxn s VAL 29 N 1.94 5.21 0.39 2.92 1.01 0.02 -2.00 120.40 129.90 1sxn s VAL 29 Ca 0.10 -0.01 0.04 0.00 0.00 0.00 0.00 61.98 62.11 1sxn s VAL 29 Cb -0.17 -3.56 -0.05 0.00 0.00 0.00 0.00 36.38 32.60 1sxn s VAL 29 CO 0.11 0.15 0.06 0.42 0.00 0.00 0.00 175.10 175.84 1sxn s THR 30 N 1.73 1.20 -3.04 3.92 -4.23 -0.44 -1.17 115.64 113.61 1sxn s THR 30 Ca 0.07 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.58 1sxn s THR 30 Cb -0.16 -2.63 0.00 0.00 1.34 0.00 0.00 72.50 71.05 1sxn s THR 30 CO 0.10 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.79 1sxn n GLY 31 N -0.89 0.86 3.12 3.99 0.00 -1.12 -1.17 105.19 109.98 1sxn n GLY 31 Ca -0.06 -2.09 -0.10 0.00 0.00 0.00 0.00 46.02 43.77 1sxn n GLY 31 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sxn s SER 32 N -1.66 0.12 -0.02 1.61 1.04 -1.10 0.14 113.70 113.83 1sxn s SER 32 Ca 0.00 -0.43 0.05 0.00 0.48 0.00 0.00 55.95 56.05 1sxn s SER 32 Cb 0.00 0.22 -0.01 0.00 0.10 0.00 0.00 66.02 66.33 1sxn s SER 32 CO 0.00 -0.47 -0.16 -0.63 0.98 0.00 0.00 173.24 172.96 1sxn s ILE 33 N -2.23 1.27 0.35 -1.02 1.01 0.46 -2.75 121.20 118.28 1sxn s ILE 33 Ca -0.08 -0.67 0.04 0.00 0.00 0.00 0.00 60.65 59.94 1sxn s ILE 33 Cb -0.03 -1.07 -0.06 0.00 0.01 0.00 0.00 42.46 41.30 1sxn s ILE 33 CO -0.03 0.36 0.06 0.42 0.00 0.00 0.00 174.94 175.76 1sxn s THR 34 N -0.21 1.22 -0.14 2.92 -4.23 -0.15 -0.10 115.64 114.94 1sxn s THR 34 Ca 0.03 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.54 1sxn s THR 34 Cb -0.08 -2.76 0.00 0.00 1.34 0.00 0.00 72.50 71.00 1sxn s THR 34 CO 0.00 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 1sxn n GLY 35 N -0.75 0.50 3.83 3.99 0.00 -0.91 -2.98 105.19 108.87 1sxn n GLY 35 Ca -0.03 -0.33 -0.36 0.00 0.00 0.00 0.00 46.02 45.29 1sxn n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sxn s LEU 36 N -0.30 4.36 0.18 0.99 1.43 -0.07 -4.42 118.68 120.86 1sxn s LEU 36 Ca 0.00 1.19 -0.31 0.00 -1.03 0.00 0.00 54.13 53.99 1sxn s LEU 36 Cb 0.00 -3.30 -0.09 0.00 0.03 0.00 0.00 46.19 42.83 1sxn s LEU 36 CO 0.00 0.11 1.39 0.42 0.23 0.00 0.00 176.35 178.50 1sxn s THR 37 N -1.43 3.05 0.51 5.49 -4.23 -1.26 -3.50 115.64 114.27 1sxn s THR 37 Ca 0.38 0.82 -0.18 0.00 -1.18 0.00 0.00 61.69 61.52 1sxn s THR 37 Cb -0.16 -3.52 -0.14 0.00 1.34 0.00 0.00 72.50 70.02 1sxn s THR 37 CO 0.20 0.10 0.04 1.21 -0.54 0.00 0.00 174.62 175.62 1sxn n GLU 38 N 3.13 0.12 0.00 3.99 2.13 -1.23 -4.63 120.64 124.15 1sxn n GLU 38 Ca 0.09 0.05 0.00 0.00 0.66 0.00 0.00 57.16 57.95 1sxn n GLU 38 Cb 0.42 -1.16 0.00 0.00 0.27 0.00 0.00 31.44 30.97 1sxn n GLU 38 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1sxn n GLY 39 N 2.33 0.12 3.80 8.31 0.00 0.26 -4.84 105.19 115.16 1sxn n GLY 39 Ca 0.09 -2.29 -0.39 0.00 0.00 0.00 0.00 46.02 43.43 1sxn n GLY 39 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sxn s ASP 40 N -2.68 7.09 -0.03 1.61 1.01 -1.26 0.10 116.67 122.52 1sxn s ASP 40 Ca 0.00 1.30 0.01 0.00 0.71 0.00 0.00 52.55 54.57 1sxn s ASP 40 Cb 0.00 -2.38 0.01 0.00 1.01 0.00 0.00 42.92 41.56 1sxn s ASP 40 CO 0.00 0.23 -0.05 -1.00 0.21 0.00 0.00 175.17 174.56 1sxn s HIS 41 N -0.92 0.63 0.20 4.23 3.76 0.36 -2.48 115.29 121.08 1sxn s HIS 41 Ca 0.30 -0.15 -0.33 0.00 -0.15 0.00 0.00 55.06 54.74 1sxn s HIS 41 Cb -0.20 -0.53 -0.13 0.00 1.11 0.00 0.00 32.58 32.84 1sxn s HIS 41 CO 0.20 -0.12 1.60 0.41 -0.85 0.00 0.00 174.74 175.99 1sxn n GLY 42 N 3.63 1.23 2.80 -2.22 0.00 -1.00 0.50 105.19 110.14 1sxn n GLY 42 Ca -0.21 0.60 -0.30 0.00 0.00 0.00 0.00 46.02 46.11 1sxn n GLY 42 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1sxn s PHE 43 N 0.76 2.00 0.05 1.61 5.36 -0.21 0.21 117.98 127.76 1sxn s PHE 43 Ca 0.75 -1.80 0.00 0.00 -0.96 0.00 0.00 56.93 54.91 1sxn s PHE 43 Cb -0.60 -1.77 -0.03 0.00 -0.34 0.00 0.00 43.02 40.27 1sxn s PHE 43 CO 0.39 -0.84 -0.04 -1.01 -1.46 0.00 0.00 175.22 172.26 1sxn s HIS 44 N 1.52 0.51 -0.41 10.12 3.76 -0.42 -2.81 115.29 127.56 1sxn s HIS 44 Ca 0.06 -0.81 -0.22 0.00 -0.15 0.00 0.00 55.06 53.94 1sxn s HIS 44 Cb -0.18 -0.35 0.02 0.00 1.11 0.00 0.00 32.58 33.18 1sxn s HIS 44 CO -0.18 -0.25 0.71 0.08 -0.85 0.00 0.00 174.74 174.25 1sxn s VAL 45 N -2.81 4.77 0.57 -0.90 1.01 -0.69 -0.10 120.40 122.26 1sxn s VAL 45 Ca -0.01 0.49 -0.06 0.00 0.00 0.00 0.00 61.98 62.39 1sxn s VAL 45 Cb -0.00 -4.21 -0.01 0.00 0.00 0.00 0.00 36.38 32.16 1sxn s VAL 45 CO -0.05 -0.53 0.89 -1.00 0.00 0.00 0.00 175.10 174.42 1sxn s HIS 46 N 2.99 3.37 0.06 5.22 3.76 0.18 -0.03 115.29 130.84 1sxn s HIS 46 Ca 0.27 0.76 -0.20 0.00 -0.15 0.00 0.00 55.06 55.74 1sxn s HIS 46 Cb -0.13 -2.65 -0.11 0.00 1.11 0.00 0.00 32.58 30.80 1sxn s HIS 46 CO 0.19 -0.70 1.48 0.37 -0.85 0.00 0.00 174.74 175.23 1sxn h GLN 47 N -0.12 0.33 -6.08 1.40 4.15 -0.35 -3.15 115.11 111.30 1sxn h GLN 47 Ca -0.46 -0.11 -0.60 0.00 0.77 0.00 0.00 58.65 58.25 1sxn h GLN 47 Cb 1.24 -0.03 -0.06 0.00 0.21 0.00 0.00 27.48 28.84 1sxn h GLN 47 CO 0.61 0.56 -0.54 -0.06 -1.93 0.00 0.00 178.83 177.47 1sxn s PHE 48 N -4.91 3.33 -0.68 3.99 0.08 0.03 -4.65 117.98 115.18 1sxn s PHE 48 Ca -0.14 0.12 -0.01 0.00 0.12 0.00 0.00 56.93 57.02 1sxn s PHE 48 Cb 0.06 -1.65 0.42 0.00 -0.57 0.00 0.00 43.02 41.28 1sxn s PHE 48 CO 0.73 0.54 1.90 0.41 -0.10 0.00 0.00 175.22 178.70 1sxn n GLY 49 N 0.09 5.82 3.43 4.36 0.00 -1.10 -3.19 105.19 114.61 1sxn n GLY 49 Ca -0.07 -2.43 -0.43 0.00 0.00 0.00 0.00 46.02 43.09 1sxn n GLY 49 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1sxn s ASP 50 N -1.86 6.03 -0.18 1.61 -1.08 -1.26 -4.93 116.67 115.00 1sxn s ASP 50 Ca 0.58 -0.98 0.16 0.00 -0.52 0.00 0.00 52.55 51.80 1sxn s ASP 50 Cb 0.47 -2.13 0.57 0.00 -1.46 0.00 0.00 42.92 40.37 1sxn s ASP 50 CO -0.15 -0.46 1.47 -3.20 0.52 0.00 0.00 175.17 173.35 1sxn n ASN 51 N 5.13 4.17 0.29 -0.34 5.15 -1.26 -3.20 115.26 125.20 1sxn n ASN 51 Ca -0.11 -2.95 0.19 0.00 -0.60 0.00 0.00 54.58 51.11 1sxn n ASN 51 Cb 0.46 -0.56 0.89 0.00 -0.53 0.00 0.00 39.78 40.05 1sxn n ASN 51 CO 0.00 0.00 0.00 0.71 1.40 0.00 0.00 177.26 179.37 1sxn h THR 52 N 2.22 0.00 -1.09 -0.44 1.35 -1.93 -2.76 112.91 110.26 1sxn h THR 52 Ca 0.00 -0.29 -0.49 0.00 -0.55 0.00 0.00 66.41 65.08 1sxn h THR 52 Cb 1.50 1.27 -0.42 0.00 -1.73 0.00 0.00 68.15 68.78 1sxn h THR 52 CO 0.26 0.00 -0.90 0.00 -0.25 0.00 0.00 175.52 174.63 1sxn n GLN 53 N -3.04 2.79 0.00 4.72 6.02 -1.26 -5.04 117.38 121.57 1sxn n GLN 53 Ca -0.01 -4.04 0.00 0.00 -0.01 0.00 0.00 57.00 52.94 1sxn n GLN 53 Cb 0.21 -1.97 0.00 0.00 1.02 0.00 0.00 30.24 29.50 1sxn n GLN 53 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1sxn n GLY 54 N -0.46 2.50 0.06 1.08 0.00 -1.04 -2.84 105.19 104.48 1sxn n GLY 54 Ca 0.30 -0.42 0.12 0.00 0.00 0.00 0.00 46.02 46.02 1sxn n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sxn h THR 56 N 0.00 1.27 0.00 0.00 1.35 -1.86 -2.96 112.91 110.71 1sxn h THR 56 Ca 0.00 -1.27 0.00 0.00 -0.55 0.00 0.00 66.41 64.59 1sxn h THR 56 Cb 0.49 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 68.07 1sxn h THR 56 CO 0.00 0.43 0.00 -1.54 -0.25 0.00 0.00 175.52 174.16 1sxn n SER 57 N -4.24 0.00 0.06 5.36 3.41 -1.23 -3.05 113.62 113.94 1sxn n SER 57 Ca -0.00 -0.94 0.09 0.00 -0.26 0.00 0.00 58.87 57.76 1sxn n SER 57 Cb 0.40 0.00 0.38 0.00 -0.26 0.00 0.00 64.21 64.73 1sxn n SER 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sxn n ALA 58 N -0.90 1.64 -0.47 7.33 0.00 -1.12 -4.44 120.51 122.56 1sxn n ALA 58 Ca 0.15 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1sxn n ALA 58 Cb 0.07 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.22 1sxn n ALA 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sxn n GLY 59 N -0.04 -0.24 3.75 0.00 0.00 -1.17 -0.79 105.19 106.69 1sxn n GLY 59 Ca 0.03 -1.05 -0.28 0.00 0.00 0.00 0.00 46.02 44.72 1sxn n GLY 59 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1sxn n PRO 60 N 0.00 -1.18 -1.88 1.61 -0.04 -1.26 -4.61 135.00 127.63 1sxn n PRO 60 Ca 0.00 -2.04 -0.39 0.00 -0.04 0.00 0.00 63.50 61.03 1sxn n PRO 60 Cb 0.00 -1.28 0.02 0.00 -0.04 0.00 0.00 33.50 32.20 1sxn n PRO 60 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1sxn s HIS 61 N -3.77 2.49 -0.17 0.54 3.76 -1.26 -0.08 115.29 116.80 1sxn s HIS 61 Ca 0.73 1.36 -0.29 0.00 -0.15 0.00 0.00 55.06 56.70 1sxn s HIS 61 Cb -0.02 -3.78 -0.04 0.00 1.11 0.00 0.00 32.58 29.85 1sxn s HIS 61 CO 0.51 -2.64 1.84 0.12 -0.85 0.00 0.00 174.74 173.71 1sxn s PHE 62 N -1.29 1.70 -0.40 1.40 5.36 0.95 -4.40 117.98 121.30 1sxn s PHE 62 Ca 0.65 0.33 0.06 0.00 -0.96 0.00 0.00 56.93 57.01 1sxn s PHE 62 Cb -0.40 -4.03 0.22 0.00 -0.34 0.00 0.00 43.02 38.47 1sxn s PHE 62 CO 0.50 -3.77 0.45 -1.71 -1.46 0.00 0.00 175.22 169.23 1sxn n ASN 63 N 9.06 -0.02 0.18 6.13 5.15 -1.26 -0.76 115.26 133.74 1sxn n ASN 63 Ca 0.22 -2.58 0.04 0.00 -0.60 0.00 0.00 54.58 51.65 1sxn n ASN 63 Cb 0.44 -0.61 0.43 0.00 -0.53 0.00 0.00 39.78 39.52 1sxn n ASN 63 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1sxn h PRO 64 N 4.66 0.07 -0.65 1.20 0.13 -1.96 -2.89 132.00 132.56 1sxn h PRO 64 Ca 0.15 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1sxn h PRO 64 Cb 0.89 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.01 1sxn h PRO 64 CO 0.43 0.29 0.00 1.28 -0.23 0.00 0.00 178.00 179.77 1sxn n LEU 65 N -4.25 4.68 -3.90 1.56 4.77 -1.26 -4.97 117.00 113.63 1sxn n LEU 65 Ca -0.02 -2.37 -0.33 0.00 -0.03 0.00 0.00 56.01 53.27 1sxn n LEU 65 Cb 0.29 -0.62 0.01 0.00 -2.33 0.00 0.00 43.42 40.78 1sxn n LEU 65 CO 0.37 0.61 -0.14 -1.20 -1.33 0.00 0.00 177.39 175.70 1sxn n SER 66 N 0.65 -3.21 -4.98 -1.43 7.64 -1.09 -4.95 113.62 106.24 1sxn n SER 66 Ca 0.23 -0.94 -0.20 0.00 1.01 0.00 0.00 58.87 58.96 1sxn n SER 66 Cb 0.96 -1.20 0.02 0.00 -1.01 0.00 0.00 64.21 62.98 1sxn n SER 66 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1sxn s LYS 67 N -6.33 2.46 0.48 1.43 1.02 -1.26 -5.12 119.74 112.41 1sxn s LYS 67 Ca 0.30 -1.60 -0.06 0.00 0.02 0.00 0.00 55.97 54.62 1sxn s LYS 67 Cb -0.17 -2.52 -0.04 0.00 -0.52 0.00 0.00 37.83 34.58 1sxn s LYS 67 CO 0.73 -0.56 0.80 0.15 -0.92 0.00 0.00 175.35 175.55 1sxn s LYS 68 N -4.42 3.57 0.27 1.68 3.01 -1.26 -4.73 119.74 117.85 1sxn s LYS 68 Ca 0.53 0.26 -0.30 0.00 -1.01 0.00 0.00 55.97 55.44 1sxn s LYS 68 Cb -0.06 -2.36 -0.10 0.00 -1.01 0.00 0.00 37.83 34.30 1sxn s LYS 68 CO 0.32 -0.20 1.46 -1.58 0.51 0.00 0.00 175.35 175.86 1sxn s HIS 69 N -2.72 2.95 0.00 3.18 2.46 0.27 -3.25 115.29 118.18 1sxn s HIS 69 Ca 0.48 1.01 0.00 0.00 0.47 0.00 0.00 55.06 57.02 1sxn s HIS 69 Cb -0.10 -3.87 0.00 0.00 -0.13 0.00 0.00 32.58 28.48 1sxn s HIS 69 CO 0.44 -2.81 0.00 0.41 -2.47 0.00 0.00 174.74 170.30 1sxn n GLY 70 N 2.03 4.67 3.77 1.59 0.00 -1.26 -4.27 105.19 111.73 1sxn n GLY 70 Ca 0.06 -1.30 -0.24 0.00 0.00 0.00 0.00 46.02 44.54 1sxn n GLY 70 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sxn s GLY 71 N -0.07 2.26 0.31 -0.02 0.00 -1.25 -4.68 107.32 103.89 1sxn s GLY 71 Ca 0.00 -2.04 -0.01 0.00 0.00 0.00 0.00 44.72 42.67 1sxn s GLY 71 CO 0.00 -1.85 1.98 -0.56 0.00 0.00 0.00 173.10 172.67 1sxn h PRO 72 N 1.33 1.03 0.00 2.90 0.13 -1.88 -2.31 132.00 133.20 1sxn h PRO 72 Ca -0.42 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1sxn h PRO 72 Cb 1.26 -0.23 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1sxn h PRO 72 CO 0.66 0.68 0.00 1.63 -0.23 0.00 0.00 178.00 180.74 1sxn n LYS 73 N -4.42 0.19 -1.56 0.86 5.02 -1.26 -4.84 118.16 112.15 1sxn n LYS 73 Ca 0.09 0.21 -0.30 0.00 -2.02 0.00 0.00 58.31 56.28 1sxn n LYS 73 Cb 0.03 -1.75 0.07 0.00 -0.02 0.00 0.00 35.03 33.37 1sxn n LYS 73 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1sxn s ASP 74 N -4.14 4.91 -0.11 4.39 1.01 -0.87 -5.00 116.67 116.86 1sxn s ASP 74 Ca 0.10 1.45 -0.02 0.00 0.71 0.00 0.00 52.55 54.79 1sxn s ASP 74 Cb 0.13 -2.25 -0.25 0.00 1.01 0.00 0.00 42.92 41.55 1sxn s ASP 74 CO 0.54 -1.72 0.38 -1.84 0.21 0.00 0.00 175.17 172.74 1sxn n GLU 75 N -3.29 0.73 -3.07 8.23 0.28 -1.26 -4.62 120.64 117.64 1sxn n GLU 75 Ca 0.07 0.26 -0.45 0.00 -0.16 0.00 0.00 57.16 56.88 1sxn n GLU 75 Cb 0.55 -1.71 -0.03 0.00 1.43 0.00 0.00 31.44 31.67 1sxn n GLU 75 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1sxn s GLU 76 N -2.56 3.31 0.25 3.44 2.56 -1.26 -4.94 118.70 119.50 1sxn s GLU 76 Ca -0.20 -1.60 -0.18 0.00 0.00 0.00 0.00 54.97 52.99 1sxn s GLU 76 Cb 0.07 -4.48 0.02 0.00 2.00 0.00 0.00 34.13 31.73 1sxn s GLU 76 CO 0.77 -1.59 0.60 -0.98 -0.56 0.00 0.00 175.26 173.49 1sxn s ARG 77 N 2.38 1.60 0.47 4.30 1.70 -1.20 -4.01 118.95 124.20 1sxn s ARG 77 Ca 0.20 -1.02 -0.13 0.00 -0.47 0.00 0.00 55.73 54.31 1sxn s ARG 77 Cb -0.15 0.55 -0.07 0.00 -0.57 0.00 0.00 34.95 34.70 1sxn s ARG 77 CO -0.01 -0.70 0.89 -1.01 -1.08 0.00 0.00 175.30 173.39 1sxn s HIS 78 N -3.93 3.48 0.36 5.89 3.76 -1.22 -4.60 115.29 119.03 1sxn s HIS 78 Ca 0.14 1.24 0.04 0.00 -0.15 0.00 0.00 55.06 56.33 1sxn s HIS 78 Cb -0.03 -2.61 0.69 0.00 1.11 0.00 0.00 32.58 31.73 1sxn s HIS 78 CO 0.05 -0.28 1.98 0.28 -0.85 0.00 0.00 174.74 175.92 1sxn h VAL 79 N 0.87 1.16 0.00 -0.90 2.07 -1.77 -2.36 116.25 115.32 1sxn h VAL 79 Ca -0.47 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 66.62 1sxn h VAL 79 Cb 1.19 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 1sxn h VAL 79 CO 0.63 0.18 0.00 0.61 0.02 0.00 0.00 177.57 179.00 1sxn n GLY 80 N -1.26 -0.95 3.55 2.17 0.00 0.06 -4.43 105.19 104.34 1sxn n GLY 80 Ca 0.04 -0.13 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 1sxn n GLY 80 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sxn s ASP 81 N -1.73 6.03 -0.17 1.61 1.01 -0.89 -1.70 116.67 120.83 1sxn s ASP 81 Ca 0.32 -0.52 0.16 0.00 0.71 0.00 0.00 52.55 53.22 1sxn s ASP 81 Cb 0.15 -2.56 0.67 0.00 1.01 0.00 0.00 42.92 42.19 1sxn s ASP 81 CO 0.25 -1.91 1.58 0.18 0.21 0.00 0.00 175.17 175.48 1sxn n LEU 82 N 10.06 4.70 0.00 1.23 4.77 -1.12 -3.76 117.00 132.87 1sxn n LEU 82 Ca 0.13 -2.78 0.00 0.00 -0.03 0.00 0.00 56.01 53.33 1sxn n LEU 82 Cb 0.50 -0.58 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 1sxn n LEU 82 CO 0.70 0.70 0.00 0.61 -1.33 0.00 0.00 177.39 178.06 1sxn n GLY 83 N 0.35 3.49 3.19 -0.72 0.00 -1.24 -4.80 105.19 105.46 1sxn n GLY 83 Ca 0.24 -0.09 -0.17 0.00 0.00 0.00 0.00 46.02 46.01 1sxn n GLY 83 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1sxn s ASN 84 N -4.00 1.68 0.18 1.61 0.01 -1.26 -1.04 114.94 112.11 1sxn s ASN 84 Ca 0.00 -0.75 0.09 0.00 -0.71 0.00 0.00 52.86 51.49 1sxn s ASN 84 Cb 0.00 -0.03 -0.04 0.00 0.41 0.00 0.00 41.25 41.59 1sxn s ASN 84 CO 0.00 -0.17 -0.14 0.68 -1.51 0.00 0.00 177.10 175.96 1sxn s VAL 85 N -1.99 2.94 -0.17 1.60 -7.23 0.18 -4.87 120.40 110.86 1sxn s VAL 85 Ca 0.04 -1.73 0.01 0.00 -1.81 0.00 0.00 61.98 58.49 1sxn s VAL 85 Cb -0.06 -2.43 0.03 0.00 0.56 0.00 0.00 36.38 34.47 1sxn s VAL 85 CO 0.02 -0.09 -0.16 -0.89 -0.31 0.00 0.00 175.10 173.67 1sxn s THR 86 N -1.63 1.79 0.01 5.32 2.01 -1.26 0.14 115.64 122.02 1sxn s THR 86 Ca 0.23 -0.84 -0.26 0.00 0.31 0.00 0.00 61.69 61.13 1sxn s THR 86 Cb -0.09 -1.69 -0.04 0.00 0.01 0.00 0.00 72.50 70.69 1sxn s THR 86 CO 0.13 0.43 0.82 0.00 -0.69 0.00 0.00 174.62 175.32 1sxn s ALA 87 N 1.38 3.29 1.01 7.40 0.00 0.29 -4.18 121.76 130.96 1sxn s ALA 87 Ca 0.04 0.34 -0.01 0.00 0.00 0.00 0.00 51.96 52.33 1sxn s ALA 87 Cb -0.14 -3.10 0.01 0.00 0.00 0.00 0.00 23.12 19.89 1sxn s ALA 87 CO -0.11 -0.06 0.06 -0.40 0.00 0.00 0.00 175.76 175.25 1sxn n ASP 88 N 3.32 -0.44 0.24 0.00 5.68 -0.66 0.89 116.55 125.58 1sxn n ASP 88 Ca 0.00 -0.81 0.07 0.00 -0.50 0.00 0.00 54.79 53.55 1sxn n ASP 88 Cb 0.51 -0.05 0.61 0.00 -1.14 0.00 0.00 41.12 41.04 1sxn n ASP 88 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 1sxn h LYS 89 N 0.00 0.04 -0.00 0.11 3.11 -1.95 -1.52 116.57 116.36 1sxn h LYS 89 Ca -0.02 -0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.82 1sxn h LYS 89 Cb 0.06 -0.01 0.00 0.00 -1.00 0.00 0.00 32.23 31.28 1sxn h LYS 89 CO 0.01 0.05 -0.12 0.09 -2.81 0.00 0.00 179.45 176.68 1sxn n ASN 90 N -4.51 0.55 0.00 4.20 3.02 -1.26 -4.68 115.26 112.58 1sxn n ASN 90 Ca -0.02 -0.65 0.00 0.00 -0.03 0.00 0.00 54.58 53.87 1sxn n ASN 90 Cb 0.11 -0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.23 1sxn n ASN 90 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sxn n GLY 91 N 1.27 0.61 3.58 7.41 0.00 -0.57 -4.56 105.19 112.94 1sxn n GLY 91 Ca 0.15 -0.37 -0.37 0.00 0.00 0.00 0.00 46.02 45.43 1sxn n GLY 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sxn s VAL 92 N -2.00 5.17 -0.20 1.61 1.01 -1.26 -0.89 120.40 123.84 1sxn s VAL 92 Ca 0.00 0.12 -0.06 0.00 0.00 0.00 0.00 61.98 62.05 1sxn s VAL 92 Cb 0.00 -3.45 -0.03 0.00 0.00 0.00 0.00 36.38 32.90 1sxn s VAL 92 CO 0.00 0.28 0.02 0.00 0.00 0.00 0.00 175.10 175.40 1sxn s ALA 93 N 1.59 3.10 -0.23 5.51 0.00 0.85 -1.65 121.76 130.93 1sxn s ALA 93 Ca 0.07 -0.97 -0.09 0.00 0.00 0.00 0.00 51.96 50.97 1sxn s ALA 93 Cb -0.15 -1.82 -0.04 0.00 0.00 0.00 0.00 23.12 21.10 1sxn s ALA 93 CO 0.09 -0.13 0.11 0.42 0.00 0.00 0.00 175.76 176.24 1sxn s ILE 94 N 0.97 4.86 -0.09 0.00 -1.09 -1.26 -0.40 121.20 124.19 1sxn s ILE 94 Ca 0.02 0.01 -0.11 0.00 -2.23 0.00 0.00 60.65 58.33 1sxn s ILE 94 Cb -0.14 -3.26 -0.05 0.00 -1.58 0.00 0.00 42.46 37.43 1sxn s ILE 94 CO 0.02 0.36 0.27 -0.69 -1.23 0.00 0.00 174.94 173.67 1sxn s VAL 95 N 1.17 5.29 -0.35 2.92 1.01 0.12 -4.81 120.40 125.75 1sxn s VAL 95 Ca 0.06 0.51 0.04 0.00 0.00 0.00 0.00 61.98 62.59 1sxn s VAL 95 Cb -0.14 -3.57 0.19 0.00 0.00 0.00 0.00 36.38 32.86 1sxn s VAL 95 CO 0.04 0.54 0.68 -0.62 0.00 0.00 0.00 175.10 175.75 1sxn s ASP 96 N -0.64 -1.38 0.10 3.32 -1.08 -1.20 -2.78 116.67 113.00 1sxn s ASP 96 Ca 0.18 -0.31 0.06 0.00 -0.52 0.00 0.00 52.55 51.96 1sxn s ASP 96 Cb -0.14 1.80 -0.03 0.00 -1.46 0.00 0.00 42.92 43.09 1sxn s ASP 96 CO 0.07 -0.20 -0.15 -0.63 0.52 0.00 0.00 175.17 174.78 1sxn s ILE 97 N 2.30 1.31 -0.17 4.11 1.01 -0.32 -5.00 121.20 124.44 1sxn s ILE 97 Ca 0.15 -1.51 0.00 0.00 0.00 0.00 0.00 60.65 59.29 1sxn s ILE 97 Cb -0.05 -1.34 0.04 0.00 0.01 0.00 0.00 42.46 41.12 1sxn s ILE 97 CO -0.16 -0.27 -0.09 -0.69 0.00 0.00 0.00 174.94 173.74 1sxn s VAL 98 N -1.59 1.38 -0.01 2.92 1.01 -1.26 -0.80 120.40 122.05 1sxn s VAL 98 Ca 0.04 -0.75 0.07 0.00 0.00 0.00 0.00 61.98 61.34 1sxn s VAL 98 Cb -0.08 -1.46 -0.02 0.00 0.00 0.00 0.00 36.38 34.82 1sxn s VAL 98 CO 0.03 0.21 -0.22 -0.62 0.00 0.00 0.00 175.10 174.50 1sxn s ASP 99 N 1.53 2.61 0.01 3.32 2.15 0.56 -4.90 116.67 121.95 1sxn s ASP 99 Ca 0.01 -0.42 0.23 0.00 0.43 0.00 0.00 52.55 52.80 1sxn s ASP 99 Cb -0.15 -0.28 0.09 0.00 -0.30 0.00 0.00 42.92 42.28 1sxn s ASP 99 CO -0.08 0.26 1.10 -0.81 -0.17 0.00 0.00 175.17 175.47 1sxn n PRO 100 N 2.45 0.10 -0.12 4.34 -0.04 -1.26 0.18 135.00 140.65 1sxn n PRO 100 Ca -0.16 -0.01 -0.22 0.00 -0.04 0.00 0.00 63.50 63.08 1sxn n PRO 100 Cb 0.52 -1.53 -0.12 0.00 -0.04 0.00 0.00 33.50 32.34 1sxn n PRO 100 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1sxn n LEU 101 N -1.65 2.62 -4.77 1.53 7.94 -1.26 -4.78 117.00 116.63 1sxn n LEU 101 Ca 0.04 0.06 -0.33 0.00 -1.11 0.00 0.00 56.01 54.66 1sxn n LEU 101 Cb 0.37 -0.92 0.04 0.00 0.53 0.00 0.00 43.42 43.44 1sxn n LEU 101 CO 0.40 0.80 0.75 0.27 -1.11 0.00 0.00 177.39 178.49 1sxn s ILE 102 N -2.51 3.23 0.05 1.96 -4.36 -1.26 -4.92 121.20 113.38 1sxn s ILE 102 Ca -0.34 0.59 -0.04 0.00 -0.26 0.00 0.00 60.65 60.60 1sxn s ILE 102 Cb 0.10 -3.12 -0.02 0.00 1.25 0.00 0.00 42.46 40.67 1sxn s ILE 102 CO 0.59 -0.34 0.07 -0.55 0.24 0.00 0.00 174.94 174.95 1sxn s SER 103 N -2.49 0.26 0.00 4.36 0.15 -1.16 -4.56 113.70 110.26 1sxn s SER 103 Ca 0.68 -0.68 0.23 0.00 0.70 0.00 0.00 55.95 56.88 1sxn s SER 103 Cb -0.21 0.23 0.58 0.00 -1.71 0.00 0.00 66.02 64.91 1sxn s SER 103 CO 0.40 -0.55 1.48 0.18 1.20 0.00 0.00 173.24 175.94 1sxn n LEU 104 N 0.51 2.48 -3.76 3.45 4.77 -1.26 -0.22 117.00 122.97 1sxn n LEU 104 Ca -0.17 -0.98 -0.08 0.00 -0.03 0.00 0.00 56.01 54.75 1sxn n LEU 104 Cb 0.60 -0.11 -0.02 0.00 -2.33 0.00 0.00 43.42 41.55 1sxn n LEU 104 CO 0.24 0.49 0.43 -0.94 -1.33 0.00 0.00 177.39 176.28 1sxn s SER 105 N -1.70 -0.32 0.00 -1.43 1.04 -1.26 -4.27 113.70 105.76 1sxn s SER 105 Ca 0.34 -0.47 0.00 0.00 0.48 0.00 0.00 55.95 56.30 1sxn s SER 105 Cb 0.20 0.68 0.00 0.00 0.10 0.00 0.00 66.02 67.01 1sxn s SER 105 CO 0.30 -1.23 0.00 0.61 0.98 0.00 0.00 173.24 173.89 1sxn n GLY 106 N -0.43 -1.84 0.36 7.32 0.00 -1.26 -3.69 105.19 105.65 1sxn n GLY 106 Ca -0.07 -1.40 -0.03 0.00 0.00 0.00 0.00 46.02 44.52 1sxn n GLY 106 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1sxn h GLU 107 N 0.00 1.26 -0.58 1.61 4.39 -2.00 -1.55 114.58 117.71 1sxn h GLU 107 Ca 0.00 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.57 1sxn h GLU 107 Cb 0.00 -0.26 0.00 0.00 -0.10 0.00 0.00 28.75 28.39 1sxn h GLU 107 CO 0.00 0.90 0.00 0.66 -1.16 0.00 0.00 179.01 179.41 1sxn n TYR 108 N -4.34 0.59 -1.70 4.33 4.01 -1.26 -4.93 117.16 113.85 1sxn n TYR 108 Ca 0.10 -0.23 -0.43 0.00 -0.16 0.00 0.00 57.90 57.18 1sxn n TYR 108 Cb 0.08 -0.14 -0.02 0.00 -0.31 0.00 0.00 39.34 38.95 1sxn n TYR 108 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1sxn n SER 109 N 0.26 3.13 -0.97 7.72 2.88 -0.58 -2.97 113.62 123.09 1sxn n SER 109 Ca 0.10 1.15 0.10 0.00 -1.33 0.00 0.00 58.87 58.89 1sxn n SER 109 Cb 0.43 -1.49 0.17 0.00 -0.75 0.00 0.00 64.21 62.57 1sxn n SER 109 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 1sxn n ILE 110 N 1.83 0.41 -1.79 2.46 -5.35 0.70 -4.92 119.36 112.70 1sxn n ILE 110 Ca 0.10 -0.70 -0.41 0.00 -0.27 0.00 0.00 62.75 61.46 1sxn n ILE 110 Cb 0.34 1.05 -0.01 0.00 -1.74 0.00 0.00 39.64 39.28 1sxn n ILE 110 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1sxn s ILE 111 N -1.43 2.07 0.00 7.28 -1.09 -1.26 -1.68 121.20 125.10 1sxn s ILE 111 Ca 0.32 0.06 0.00 0.00 -2.23 0.00 0.00 60.65 58.80 1sxn s ILE 111 Cb 0.19 -3.04 0.00 0.00 -1.58 0.00 0.00 42.46 38.03 1sxn s ILE 111 CO 0.27 0.01 0.00 0.61 -1.23 0.00 0.00 174.94 174.60 1sxn n GLY 112 N 1.77 0.86 3.12 6.18 0.00 0.96 -4.98 105.19 113.10 1sxn n GLY 112 Ca 0.06 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 1sxn n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sxn n ARG 113 N -2.09 0.84 -4.77 1.61 1.74 -0.67 -2.70 116.66 110.62 1sxn n ARG 113 Ca 0.00 -2.85 -0.33 0.00 -0.77 0.00 0.00 57.85 53.90 1sxn n ARG 113 Cb 0.00 0.34 -0.13 0.00 -1.02 0.00 0.00 32.46 31.65 1sxn n ARG 113 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1sxn s THR 114 N -2.27 3.22 -0.10 0.55 2.01 -1.19 -1.08 115.64 116.78 1sxn s THR 114 Ca 0.24 -0.63 -0.24 0.00 0.31 0.00 0.00 61.69 61.36 1sxn s THR 114 Cb -0.02 -2.32 -0.03 0.00 0.01 0.00 0.00 72.50 70.14 1sxn s THR 114 CO 0.15 0.56 0.74 -0.32 -0.69 0.00 0.00 174.62 175.05 1sxn s MET 115 N -0.22 4.39 -0.03 4.92 1.75 -0.71 0.50 119.30 129.91 1sxn s MET 115 Ca 0.01 0.91 0.05 0.00 -1.25 0.00 0.00 55.69 55.41 1sxn s MET 115 Cb -0.13 -3.49 -0.01 0.00 2.84 0.00 0.00 34.83 34.04 1sxn s MET 115 CO 0.03 -0.06 -0.17 0.08 -0.65 0.00 0.00 175.02 174.25 1sxn s VAL 116 N 1.22 1.40 -0.15 10.11 1.01 0.86 -2.03 120.40 132.82 1sxn s VAL 116 Ca 0.38 -0.74 -0.02 0.00 0.00 0.00 0.00 61.98 61.60 1sxn s VAL 116 Cb -0.17 -1.18 -0.02 0.00 0.00 0.00 0.00 36.38 35.01 1sxn s VAL 116 CO 0.17 0.40 -0.09 0.54 0.00 0.00 0.00 175.10 176.12 1sxn s VAL 117 N -0.23 3.32 0.47 2.92 0.11 -0.87 -1.30 120.40 124.82 1sxn s VAL 117 Ca 0.03 -0.55 0.08 0.00 -2.93 0.00 0.00 61.98 58.60 1sxn s VAL 117 Cb -0.09 -2.43 0.03 0.00 -1.53 0.00 0.00 36.38 32.36 1sxn s VAL 117 CO 0.00 0.50 0.59 -1.00 -3.33 0.00 0.00 175.10 171.86 1sxn s HIS 118 N 0.58 2.30 0.01 1.54 3.76 0.56 -1.45 115.29 122.58 1sxn s HIS 118 Ca -0.06 -0.54 -0.25 0.00 -0.15 0.00 0.00 55.06 54.06 1sxn s HIS 118 Cb -0.15 -2.26 -0.19 0.00 1.11 0.00 0.00 32.58 31.09 1sxn s HIS 118 CO 0.03 -0.59 1.37 1.49 -0.85 0.00 0.00 174.74 176.19 1sxn h GLU 119 N 0.58 -0.04 -6.11 1.40 4.81 -0.68 -3.37 114.58 111.17 1sxn h GLU 119 Ca -0.37 0.00 -0.53 0.00 -0.13 0.00 0.00 59.36 58.34 1sxn h GLU 119 Cb 1.28 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 30.61 1sxn h GLU 119 CO 0.47 0.32 -0.49 0.15 -0.73 0.00 0.00 179.01 178.73 1sxn s LYS 120 N -4.72 2.48 0.59 1.92 -0.14 0.10 -4.89 119.74 115.08 1sxn s LYS 120 Ca -0.15 -1.50 -0.18 0.00 -1.36 0.00 0.00 55.97 52.77 1sxn s LYS 120 Cb 0.03 -2.27 -0.04 0.00 -1.68 0.00 0.00 37.83 33.87 1sxn s LYS 120 CO 0.66 0.05 1.17 -2.14 -0.76 0.00 0.00 175.35 174.32 1sxn s PRO 121 N -3.93 3.06 -0.10 -1.68 0.02 -1.03 -2.38 135.00 128.96 1sxn s PRO 121 Ca 0.40 1.70 -0.28 0.00 0.02 0.00 0.00 61.00 62.84 1sxn s PRO 121 Cb -0.03 -1.96 -0.02 0.00 0.02 0.00 0.00 34.50 32.52 1sxn s PRO 121 CO 0.24 -1.10 0.95 0.34 -0.33 0.00 0.00 177.00 177.10 1sxn s ASP 122 N -1.78 7.19 0.00 2.53 -1.08 -1.26 -3.98 116.67 118.29 1sxn s ASP 122 Ca 0.74 1.46 0.18 0.00 -0.52 0.00 0.00 52.55 54.41 1sxn s ASP 122 Cb -0.27 -2.53 1.06 0.00 -1.46 0.00 0.00 42.92 39.73 1sxn s ASP 122 CO 0.32 -0.38 1.59 -0.90 0.52 0.00 0.00 175.17 176.32 1sxn n ASP 123 N 4.77 0.00 -1.78 -0.34 5.68 0.16 -4.87 116.55 120.17 1sxn n ASP 123 Ca 0.07 -1.18 -0.19 0.00 -0.50 0.00 0.00 54.79 52.99 1sxn n ASP 123 Cb 0.49 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.41 1sxn n ASP 123 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1sxn n LEU 124 N -0.82 -1.48 0.00 -2.12 4.77 -1.26 -1.97 117.00 114.12 1sxn n LEU 124 Ca 0.13 0.35 0.00 0.00 -0.03 0.00 0.00 56.01 56.47 1sxn n LEU 124 Cb 0.06 -2.67 0.00 0.00 -2.33 0.00 0.00 43.42 38.48 1sxn n LEU 124 CO 0.10 -0.78 0.00 0.61 -1.33 0.00 0.00 177.39 175.99 1sxn n GLY 125 N -0.51 0.44 1.04 -0.72 0.00 -1.21 -3.81 105.19 100.41 1sxn n GLY 125 Ca -0.20 -0.72 -0.03 0.00 0.00 0.00 0.00 46.02 45.07 1sxn n GLY 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sxn n ARG 126 N -2.97 2.12 0.00 1.61 3.00 -0.83 -4.67 116.66 114.91 1sxn n ARG 126 Ca 0.00 -3.50 0.11 0.00 -0.01 0.00 0.00 57.85 54.45 1sxn n ARG 126 Cb 0.00 -1.81 0.09 0.00 0.00 0.00 0.00 32.46 30.74 1sxn n ARG 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1sxn n GLY 127 N -1.02 -0.70 3.56 -0.13 0.00 -1.26 -5.00 105.19 100.64 1sxn n GLY 127 Ca 0.28 -0.52 -0.20 0.00 0.00 0.00 0.00 46.02 45.58 1sxn n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sxn n GLY 128 N 1.45 -0.42 3.53 -0.02 0.00 -1.26 -4.98 105.19 103.49 1sxn n GLY 128 Ca 0.07 0.17 -0.17 0.00 0.00 0.00 0.00 46.02 46.10 1sxn n GLY 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sxn s ASN 129 N -4.24 -0.61 0.25 1.61 2.20 -1.26 -5.06 114.94 107.83 1sxn s ASN 129 Ca 0.06 0.68 -0.05 0.00 -0.94 0.00 0.00 52.86 52.61 1sxn s ASN 129 Cb -0.01 0.51 0.28 0.00 -2.00 0.00 0.00 41.25 40.03 1sxn s ASN 129 CO 0.78 -0.56 1.82 -0.08 -2.94 0.00 0.00 177.10 176.12 1sxn h GLU 130 N 2.95 1.06 -0.98 3.55 4.81 -2.01 -2.69 114.58 121.27 1sxn h GLU 130 Ca -0.26 -0.18 0.15 0.00 -0.13 0.00 0.00 59.36 58.94 1sxn h GLU 130 Cb 1.14 -0.18 -0.09 0.00 0.63 0.00 0.00 28.75 30.25 1sxn h GLU 130 CO 0.37 0.86 0.60 1.49 -0.73 0.00 0.00 179.01 181.60 1sxn h GLU 131 N 1.03 0.83 -0.63 1.92 4.57 -1.99 -0.51 114.58 119.81 1sxn h GLU 131 Ca 0.24 -0.05 0.12 0.00 -1.18 0.00 0.00 59.36 58.49 1sxn h GLU 131 Cb 0.20 -0.19 -0.04 0.00 -0.16 0.00 0.00 28.75 28.57 1sxn h GLU 131 CO -0.02 0.55 0.43 1.03 -1.18 0.00 0.00 179.01 179.82 1sxn h SER 132 N 0.86 0.30 0.32 1.04 0.87 -1.82 0.24 113.55 115.36 1sxn h SER 132 Ca 0.52 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 61.09 1sxn h SER 132 Cb 0.66 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.57 1sxn h SER 132 CO -0.32 0.17 -0.18 0.35 -0.53 0.00 0.00 176.83 176.32 1sxn n THR 133 N -4.46 0.00 -0.08 2.23 -2.24 -0.21 -1.97 114.28 107.55 1sxn n THR 133 Ca 0.11 -0.09 -0.17 0.00 -2.27 0.00 0.00 64.05 61.64 1sxn n THR 133 Cb 0.46 0.12 -0.06 0.00 -2.10 0.00 0.00 70.33 68.76 1sxn n THR 133 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1sxn n LYS 134 N -0.84 0.37 0.00 -0.78 5.02 0.13 -0.56 118.16 121.50 1sxn n LYS 134 Ca 0.13 0.16 0.00 0.00 -2.02 0.00 0.00 58.31 56.58 1sxn n LYS 134 Cb 0.31 -1.13 0.00 0.00 -0.02 0.00 0.00 35.03 34.19 1sxn n LYS 134 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1sxn n THR 135 N -3.87 0.00 -1.38 -0.18 -2.24 0.60 -4.55 114.28 102.67 1sxn n THR 135 Ca -0.31 -0.39 -0.07 0.00 -2.27 0.00 0.00 64.05 61.02 1sxn n THR 135 Cb 0.67 1.16 -0.03 0.00 -2.10 0.00 0.00 70.33 70.04 1sxn n THR 135 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sxn n GLY 136 N 0.22 0.78 3.96 3.38 0.00 -0.83 -3.41 105.19 109.29 1sxn n GLY 136 Ca 0.00 -0.70 -0.32 0.00 0.00 0.00 0.00 46.02 45.00 1sxn n GLY 136 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1sxn n ASN 137 N 0.80 -3.74 0.00 1.61 3.02 -1.26 0.38 115.26 116.08 1sxn n ASN 137 Ca -0.07 -0.82 0.12 0.00 -0.03 0.00 0.00 54.58 53.78 1sxn n ASN 137 Cb 0.30 -3.05 0.60 0.00 -0.61 0.00 0.00 39.78 37.02 1sxn n ASN 137 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sxn n ALA 138 N -4.25 2.23 -0.60 5.41 0.00 -1.22 -4.72 120.51 117.37 1sxn n ALA 138 Ca 0.05 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1sxn n ALA 138 Cb 0.51 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.54 1sxn n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sxn n GLY 139 N 1.02 -0.07 3.41 0.00 0.00 -1.26 0.02 105.19 108.30 1sxn n GLY 139 Ca 0.09 -1.03 -0.36 0.00 0.00 0.00 0.00 46.02 44.73 1sxn n GLY 139 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1sxn n SER 140 N -1.78 -1.83 -4.57 1.61 3.41 -1.26 -4.52 113.62 104.68 1sxn n SER 140 Ca 0.00 0.53 -0.41 0.00 -0.26 0.00 0.00 58.87 58.73 1sxn n SER 140 Cb 0.00 -1.16 -0.08 0.00 -0.26 0.00 0.00 64.21 62.71 1sxn n SER 140 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1sxn s ARG 141 N -2.72 3.71 0.00 4.33 0.52 -1.26 -0.61 118.95 122.91 1sxn s ARG 141 Ca 0.62 -0.15 -0.15 0.00 -0.52 0.00 0.00 55.73 55.53 1sxn s ARG 141 Cb -0.33 -3.77 -0.34 0.00 0.52 0.00 0.00 34.95 31.03 1sxn s ARG 141 CO 0.62 -0.53 0.89 -0.07 0.02 0.00 0.00 175.30 176.22 1sxn h LEU 142 N 8.91 0.76 -7.47 2.53 3.38 -1.55 -3.48 115.31 118.38 1sxn h LEU 142 Ca -0.29 -0.93 -0.10 0.00 0.09 0.00 0.00 57.88 56.66 1sxn h LEU 142 Cb 1.14 -0.25 -0.18 0.00 0.09 0.00 0.00 40.66 41.46 1sxn h LEU 142 CO 0.73 1.72 -0.20 0.00 0.09 0.00 0.00 178.44 180.78 1sxn s ALA 143 N -2.58 -0.84 0.25 1.53 0.00 -1.24 -3.97 121.76 114.91 1sxn s ALA 143 Ca -0.11 0.24 -0.19 0.00 0.00 0.00 0.00 51.96 51.90 1sxn s ALA 143 Cb 0.04 0.24 0.02 0.00 0.00 0.00 0.00 23.12 23.42 1sxn s ALA 143 CO 0.91 -0.37 0.63 0.00 0.00 0.00 0.00 175.76 176.93 1sxn s GLY 145 N -2.92 -0.59 0.17 0.00 0.00 -0.86 -1.71 107.32 101.40 1sxn s GLY 145 Ca 0.12 0.54 -0.24 0.00 0.00 0.00 0.00 44.72 45.14 1sxn s GLY 145 CO 0.05 0.18 0.76 0.14 0.00 0.00 0.00 173.10 174.22 1sxn s VAL 146 N -3.67 4.41 -0.22 1.40 1.01 -1.26 -1.74 120.40 120.33 1sxn s VAL 146 Ca 0.02 1.63 -0.25 0.00 0.00 0.00 0.00 61.98 63.37 1sxn s VAL 146 Cb -0.01 -4.09 -0.01 0.00 0.00 0.00 0.00 36.38 32.27 1sxn s VAL 146 CO -0.12 0.49 0.85 -0.63 0.00 0.00 0.00 175.10 175.69 1sxn s ILE 147 N -1.19 4.83 0.27 2.22 1.01 -0.24 -4.52 121.20 123.59 1sxn s ILE 147 Ca 0.36 1.62 0.12 0.00 0.00 0.00 0.00 60.65 62.75 1sxn s ILE 147 Cb -0.22 -4.14 -0.05 0.00 0.01 0.00 0.00 42.46 38.06 1sxn s ILE 147 CO 0.25 -0.06 -0.18 -0.83 0.00 0.00 0.00 174.94 174.12 1sxn s GLY 148 N 1.28 1.86 0.27 6.18 0.00 -0.35 -0.02 107.32 116.54 1sxn s GLY 148 Ca 0.36 -1.85 -0.30 0.00 0.00 0.00 0.00 44.72 42.94 1sxn s GLY 148 CO 0.08 -1.93 1.40 -0.42 0.00 0.00 0.00 173.10 172.23 1sxn s ILE 149 N -2.46 2.69 0.20 0.90 1.01 -1.26 -1.28 121.20 121.00 1sxn s ILE 149 Ca 0.30 0.61 0.11 0.00 0.00 0.00 0.00 60.65 61.66 1sxn s ILE 149 Cb -0.05 -3.39 -0.04 0.00 0.01 0.00 0.00 42.46 38.99 1sxn s ILE 149 CO 0.15 0.11 -0.22 0.00 0.00 0.00 0.00 174.94 174.98 1sxn s ALA 150 N -0.30 2.43 -2.00 9.38 0.00 -0.81 -4.77 121.76 125.69 1sxn s ALA 150 Ca 0.56 -1.64 0.11 0.00 0.00 0.00 0.00 51.96 51.00 1sxn s ALA 150 Cb -0.41 -0.28 0.67 0.00 0.00 0.00 0.00 23.12 23.10 1sxn s ALA 150 CO 0.46 0.36 1.11 1.17 0.00 0.00 0.00 175.76 178.85