#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ya8 s SER 22 N 0.00 6.71 0.15 4.04 0.15 -1.26 -5.01 113.70 118.49 1ya8 s SER 22 Ca 0.00 0.86 -0.31 0.00 0.70 0.00 0.00 55.95 57.20 1ya8 s SER 22 Cb 0.00 -2.36 -0.18 0.00 -1.71 0.00 0.00 66.02 61.77 1ya8 s SER 22 CO 0.00 -0.30 0.65 -2.65 1.20 0.00 0.00 173.24 172.14 1ya8 n PRO 23 N 5.15 0.01 -2.19 5.44 -0.02 -1.26 -4.86 135.00 137.28 1ya8 n PRO 23 Ca -0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.05 1ya8 n PRO 23 Cb 0.49 -1.12 -0.03 0.00 -0.02 0.00 0.00 33.50 32.82 1ya8 n PRO 23 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1ya8 s PRO 24 N -0.76 4.24 -0.21 0.52 0.02 -1.25 -4.84 135.00 132.72 1ya8 s PRO 24 Ca 0.70 1.99 -0.00 0.00 0.02 0.00 0.00 61.00 63.71 1ya8 s PRO 24 Cb -1.01 -3.71 0.02 0.00 0.02 0.00 0.00 34.50 29.82 1ya8 s PRO 24 CO 0.56 -0.67 -0.14 0.08 -0.33 0.00 0.00 177.00 176.50 1ya8 s VAL 25 N 3.01 2.49 0.02 3.83 1.01 -1.26 -1.11 120.40 128.39 1ya8 s VAL 25 Ca 0.65 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.76 1ya8 s VAL 25 Cb -0.31 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 33.90 1ya8 s VAL 25 CO 0.25 0.42 -0.05 -0.69 0.00 0.00 0.00 175.10 175.03 1ya8 s VAL 26 N 1.32 3.75 -0.27 2.92 1.01 -0.02 -4.92 120.40 124.19 1ya8 s VAL 26 Ca 0.03 -0.81 -0.12 0.00 0.00 0.00 0.00 61.98 61.08 1ya8 s VAL 26 Cb -0.14 -2.66 -0.05 0.00 0.00 0.00 0.00 36.38 33.53 1ya8 s VAL 26 CO -0.09 0.34 0.24 -0.62 0.00 0.00 0.00 175.10 174.97 1ya8 s ASP 27 N -1.60 6.11 0.33 3.32 -1.08 -1.26 0.05 116.67 122.54 1ya8 s ASP 27 Ca 0.19 0.11 0.10 0.00 -0.52 0.00 0.00 52.55 52.42 1ya8 s ASP 27 Cb -0.11 -2.15 -0.06 0.00 -1.46 0.00 0.00 42.92 39.14 1ya8 s ASP 27 CO 0.10 -0.07 -0.12 0.42 0.52 0.00 0.00 175.17 176.01 1ya8 s THR 28 N 1.74 2.27 0.20 1.71 -4.23 0.47 -4.83 115.64 112.97 1ya8 s THR 28 Ca 0.10 -2.25 -0.20 0.00 -1.18 0.00 0.00 61.69 58.16 1ya8 s THR 28 Cb -0.16 -2.55 0.16 0.00 1.34 0.00 0.00 72.50 71.29 1ya8 s THR 28 CO 0.10 -0.26 1.58 0.58 -0.54 0.00 0.00 174.62 176.08 1ya8 h VAL 29 N 2.10 0.13 0.00 2.29 2.07 -1.96 0.30 116.25 121.18 1ya8 h VAL 29 Ca -0.41 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.11 1ya8 h VAL 29 Cb 1.25 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1ya8 h VAL 29 CO 0.68 0.00 0.00 1.41 0.02 0.00 0.00 177.57 179.68 1ya8 n HIS 30 N -5.45 0.00 0.00 1.57 8.25 -1.26 -4.98 115.22 113.36 1ya8 n HIS 30 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 1ya8 n HIS 30 Cb 0.37 -0.43 0.00 0.00 1.12 0.00 0.00 29.99 31.05 1ya8 n HIS 30 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ya8 n GLY 31 N 0.21 0.99 3.85 -1.41 0.00 0.11 -0.93 105.19 108.00 1ya8 n GLY 31 Ca 0.05 -1.95 -0.33 0.00 0.00 0.00 0.00 46.02 43.80 1ya8 n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ya8 s LYS 32 N -1.50 4.03 0.01 1.61 1.02 -1.26 -0.40 119.74 123.26 1ya8 s LYS 32 Ca 0.00 0.72 0.06 0.00 0.02 0.00 0.00 55.97 56.77 1ya8 s LYS 32 Cb 0.00 -2.41 -0.02 0.00 -0.52 0.00 0.00 37.83 34.88 1ya8 s LYS 32 CO 0.00 0.14 -0.17 0.14 -0.92 0.00 0.00 175.35 174.54 1ya8 s VAL 33 N -2.00 1.35 -0.13 3.17 -7.23 0.11 -1.57 120.40 114.09 1ya8 s VAL 33 Ca 0.55 -0.87 0.00 0.00 -1.81 0.00 0.00 61.98 59.85 1ya8 s VAL 33 Cb -0.10 -1.15 -0.01 0.00 0.56 0.00 0.00 36.38 35.68 1ya8 s VAL 33 CO 0.17 0.27 -0.14 -0.22 -0.31 0.00 0.00 175.10 174.86 1ya8 s LEU 34 N -0.70 2.60 0.00 1.32 1.98 0.87 -0.84 118.68 123.90 1ya8 s LEU 34 Ca 0.06 -0.39 0.00 0.00 -2.89 0.00 0.00 54.13 50.91 1ya8 s LEU 34 Cb -0.07 -1.58 0.00 0.00 0.66 0.00 0.00 46.19 45.20 1ya8 s LEU 34 CO 0.00 0.14 0.00 0.61 -1.89 0.00 0.00 176.35 175.21 1ya8 n GLY 35 N 3.68 7.13 3.12 7.98 0.00 -0.26 -0.25 105.19 126.58 1ya8 n GLY 35 Ca -0.18 -1.91 -0.13 0.00 0.00 0.00 0.00 46.02 43.80 1ya8 n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ya8 s LYS 36 N 0.84 0.69 -0.10 1.61 -2.85 -1.02 -3.92 119.74 115.00 1ya8 s LYS 36 Ca 0.00 -1.00 -0.13 0.00 -1.00 0.00 0.00 55.97 53.85 1ya8 s LYS 36 Cb 0.00 -0.36 -0.05 0.00 -2.06 0.00 0.00 37.83 35.37 1ya8 s LYS 36 CO 0.00 0.05 0.31 -0.06 0.10 0.00 0.00 175.35 175.74 1ya8 s PHE 37 N -2.15 3.58 -0.07 1.78 2.99 -1.26 -1.40 117.98 121.45 1ya8 s PHE 37 Ca -0.01 0.73 0.00 0.00 0.00 0.00 0.00 56.93 57.65 1ya8 s PHE 37 Cb -0.05 -2.25 0.02 0.00 0.00 0.00 0.00 43.02 40.75 1ya8 s PHE 37 CO -0.01 0.48 -0.05 0.08 -0.00 0.00 0.00 175.22 175.72 1ya8 s VAL 38 N -0.38 0.71 0.07 -0.44 1.01 -0.23 -4.95 120.40 116.19 1ya8 s VAL 38 Ca 0.19 -0.15 -0.06 0.00 0.00 0.00 0.00 61.98 61.96 1ya8 s VAL 38 Cb -0.14 -0.75 -0.05 0.00 0.00 0.00 0.00 36.38 35.44 1ya8 s VAL 38 CO 0.07 0.29 0.32 -0.44 0.00 0.00 0.00 175.10 175.35 1ya8 s SER 39 N 1.37 6.50 -0.05 3.32 0.01 -1.26 0.10 113.70 123.70 1ya8 s SER 39 Ca -0.03 0.58 0.05 0.00 1.31 0.00 0.00 55.95 57.86 1ya8 s SER 39 Cb -0.13 -2.09 -0.02 0.00 0.21 0.00 0.00 66.02 63.98 1ya8 s SER 39 CO -0.03 0.16 -0.19 -0.22 0.41 0.00 0.00 173.24 173.37 1ya8 s LEU 40 N -2.16 2.45 -0.48 2.44 2.96 -1.26 -4.97 118.68 117.66 1ya8 s LEU 40 Ca 0.34 -0.32 -0.44 0.00 -0.22 0.00 0.00 54.13 53.49 1ya8 s LEU 40 Cb -0.13 -1.47 -0.19 0.00 0.50 0.00 0.00 46.19 44.90 1ya8 s LEU 40 CO 0.20 0.32 1.82 1.21 -1.32 0.00 0.00 176.35 178.58 1ya8 n GLU 41 N 2.48 0.00 -0.47 1.98 4.07 -1.26 -0.93 120.64 126.51 1ya8 n GLU 41 Ca -0.17 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.93 1ya8 n GLU 41 Cb 0.52 -1.45 0.00 0.00 -0.06 0.00 0.00 31.44 30.45 1ya8 n GLU 41 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1ya8 n GLY 42 N 5.62 0.73 2.82 8.31 0.00 -1.26 -5.08 105.19 116.33 1ya8 n GLY 42 Ca 0.42 -0.33 -0.21 0.00 0.00 0.00 0.00 46.02 45.90 1ya8 n GLY 42 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ya8 s PHE 43 N -2.00 0.61 0.07 1.61 0.40 -0.11 -5.06 117.98 113.50 1ya8 s PHE 43 Ca 0.00 -0.14 -0.36 0.00 -0.60 0.00 0.00 56.93 55.83 1ya8 s PHE 43 Cb 0.00 -0.67 -0.19 0.00 0.51 0.00 0.00 43.02 42.67 1ya8 s PHE 43 CO 0.00 -0.24 1.58 0.00 0.70 0.00 0.00 175.22 177.26 1ya8 h ALA 44 N 7.75 -1.18 -1.89 5.36 0.00 -1.98 -3.41 119.26 123.91 1ya8 h ALA 44 Ca -0.30 -0.24 -0.57 0.00 0.00 0.00 0.00 54.91 53.81 1ya8 h ALA 44 Cb 1.14 0.55 -0.05 0.00 0.00 0.00 0.00 17.79 19.43 1ya8 h ALA 44 CO 0.37 -1.18 0.99 -1.14 0.00 0.00 0.00 179.25 178.29 1ya8 s GLN 45 N -5.97 3.81 0.52 0.00 2.00 -1.26 -5.01 119.66 113.74 1ya8 s GLN 45 Ca -0.19 1.10 -0.21 0.00 -2.00 0.00 0.00 55.36 54.06 1ya8 s GLN 45 Cb 0.03 -3.92 -0.06 0.00 0.80 0.00 0.00 33.01 29.87 1ya8 s GLN 45 CO 0.61 -1.26 1.20 -1.25 -0.50 0.00 0.00 175.29 174.09 1ya8 s PRO 46 N 4.39 3.42 0.07 1.67 0.04 -1.26 -4.82 135.00 138.51 1ya8 s PRO 46 Ca 0.57 1.82 -0.27 0.00 0.04 0.00 0.00 61.00 63.16 1ya8 s PRO 46 Cb -0.15 -2.20 -0.06 0.00 0.04 0.00 0.00 34.50 32.13 1ya8 s PRO 46 CO 0.26 -0.84 0.83 0.08 0.04 0.00 0.00 177.00 177.37 1ya8 s VAL 47 N -1.56 4.65 -0.16 -0.36 1.01 0.11 -4.80 120.40 119.29 1ya8 s VAL 47 Ca 0.69 1.78 -0.23 0.00 0.00 0.00 0.00 61.98 64.22 1ya8 s VAL 47 Cb -0.30 -4.18 -0.02 0.00 0.00 0.00 0.00 36.38 31.88 1ya8 s VAL 47 CO 0.35 0.35 0.73 0.00 0.00 0.00 0.00 175.10 176.53 1ya8 s ALA 48 N -0.05 3.50 0.01 5.51 0.00 0.78 -1.07 121.76 130.44 1ya8 s ALA 48 Ca 0.41 -0.07 0.07 0.00 0.00 0.00 0.00 51.96 52.37 1ya8 s ALA 48 Cb -0.21 -3.09 -0.03 0.00 0.00 0.00 0.00 23.12 19.79 1ya8 s ALA 48 CO 0.25 -0.53 -0.19 0.42 0.00 0.00 0.00 175.76 175.71 1ya8 s ILE 49 N 1.85 2.68 -0.05 0.00 1.01 -0.49 -1.25 121.20 124.94 1ya8 s ILE 49 Ca 0.34 -1.08 0.01 0.00 0.00 0.00 0.00 60.65 59.93 1ya8 s ILE 49 Cb -0.16 -2.07 0.02 0.00 0.01 0.00 0.00 42.46 40.25 1ya8 s ILE 49 CO 0.12 0.44 -0.06 -0.36 0.00 0.00 0.00 174.94 175.09 1ya8 s PHE 50 N -0.82 0.90 -0.10 3.97 0.40 -0.13 -2.43 117.98 119.77 1ya8 s PHE 50 Ca 0.13 -0.28 0.04 0.00 -0.60 0.00 0.00 56.93 56.21 1ya8 s PHE 50 Cb -0.10 -0.76 -0.00 0.00 0.51 0.00 0.00 43.02 42.66 1ya8 s PHE 50 CO 0.03 -0.22 -0.23 -0.51 0.70 0.00 0.00 175.22 174.99 1ya8 s LEU 51 N 0.93 2.17 -0.57 -0.37 1.43 -0.55 -1.13 118.68 120.59 1ya8 s LEU 51 Ca -0.11 -0.53 -0.01 0.00 -1.03 0.00 0.00 54.13 52.46 1ya8 s LEU 51 Cb -0.14 -1.44 0.00 0.00 0.03 0.00 0.00 46.19 44.64 1ya8 s LEU 51 CO 0.00 0.16 0.48 0.61 0.23 0.00 0.00 176.35 177.84 1ya8 n GLY 52 N 3.50 0.12 3.66 -3.19 0.00 -1.24 -3.31 105.19 104.72 1ya8 n GLY 52 Ca -0.19 -0.22 -0.40 0.00 0.00 0.00 0.00 46.02 45.21 1ya8 n GLY 52 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ya8 s ILE 53 N -3.16 5.04 0.20 -0.61 1.01 -1.02 -4.86 121.20 117.78 1ya8 s ILE 53 Ca 0.06 1.14 -0.30 0.00 0.00 0.00 0.00 60.65 61.55 1ya8 s ILE 53 Cb -0.03 -3.93 -0.08 0.00 0.01 0.00 0.00 42.46 38.44 1ya8 s ILE 53 CO 0.33 0.13 1.22 -2.16 0.00 0.00 0.00 174.94 174.46 1ya8 s PRO 54 N 1.84 4.47 0.00 2.79 0.04 -1.26 -1.90 135.00 140.98 1ya8 s PRO 54 Ca 0.28 1.92 0.03 0.00 0.04 0.00 0.00 61.00 63.27 1ya8 s PRO 54 Cb -0.16 -3.22 0.01 0.00 0.04 0.00 0.00 34.50 31.17 1ya8 s PRO 54 CO 0.10 -0.12 0.42 1.97 0.04 0.00 0.00 177.00 179.41 1ya8 n PHE 55 N 2.43 0.00 -3.90 0.56 1.16 -1.16 -4.92 117.46 111.63 1ya8 n PHE 55 Ca 0.04 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.53 1ya8 n PHE 55 Cb 0.44 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 38.25 1ya8 n PHE 55 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1ya8 s ALA 56 N -0.57 -0.25 0.20 1.98 0.00 -1.26 -4.36 121.76 117.50 1ya8 s ALA 56 Ca 0.02 -0.70 -0.30 0.00 0.00 0.00 0.00 51.96 50.98 1ya8 s ALA 56 Cb 0.02 0.85 -0.08 0.00 0.00 0.00 0.00 23.12 23.91 1ya8 s ALA 56 CO 0.06 -0.69 0.96 0.21 0.00 0.00 0.00 175.76 176.30 1ya8 s LYS 57 N -3.94 4.79 -0.25 0.00 2.20 0.24 -4.41 119.74 118.38 1ya8 s LYS 57 Ca 0.15 1.50 -0.39 0.00 -0.36 0.00 0.00 55.97 56.87 1ya8 s LYS 57 Cb 0.02 -3.31 -0.14 0.00 -1.51 0.00 0.00 37.83 32.89 1ya8 s LYS 57 CO -0.01 0.40 1.81 -2.30 -0.36 0.00 0.00 175.35 174.90 1ya8 n PRO 58 N 1.90 1.37 -0.96 4.03 -0.02 -1.26 -4.53 135.00 135.53 1ya8 n PRO 58 Ca -0.01 0.50 -0.29 0.00 -2.02 0.00 0.00 63.50 61.68 1ya8 n PRO 58 Cb 0.48 -2.25 -0.02 0.00 -0.02 0.00 0.00 33.50 31.68 1ya8 n PRO 58 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1ya8 n PRO 59 N 5.91 2.56 -3.57 0.52 -0.04 -1.26 -4.91 135.00 134.21 1ya8 n PRO 59 Ca 0.27 -1.74 -0.20 0.00 -0.04 0.00 0.00 63.50 61.79 1ya8 n PRO 59 Cb 0.17 -2.61 -0.02 0.00 -0.04 0.00 0.00 33.50 31.00 1ya8 n PRO 59 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1ya8 s LEU 60 N 0.24 3.61 0.00 1.53 1.43 -1.26 -3.92 118.68 120.32 1ya8 s LEU 60 Ca 0.50 -0.50 0.00 0.00 -1.03 0.00 0.00 54.13 53.09 1ya8 s LEU 60 Cb 0.13 -2.32 0.00 0.00 0.03 0.00 0.00 46.19 44.03 1ya8 s LEU 60 CO -0.04 -0.51 0.00 0.61 0.23 0.00 0.00 176.35 176.65 1ya8 n GLY 61 N -1.53 3.07 0.00 -3.19 0.00 -1.26 -0.76 105.19 101.51 1ya8 n GLY 61 Ca 0.01 0.01 0.01 0.00 0.00 0.00 0.00 46.02 46.06 1ya8 n GLY 61 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ya8 n PRO 62 N 14.00 0.02 0.00 1.61 -0.04 -1.26 -2.11 135.00 147.22 1ya8 n PRO 62 Ca 0.00 0.37 0.13 0.00 -0.04 0.00 0.00 63.50 63.97 1ya8 n PRO 62 Cb 0.00 -1.50 0.48 0.00 -0.04 0.00 0.00 33.50 32.44 1ya8 n PRO 62 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1ya8 n LEU 63 N -1.41 0.66 -4.73 1.53 4.77 0.06 -4.86 117.00 113.01 1ya8 n LEU 63 Ca 0.01 -0.07 -0.41 0.00 -0.03 0.00 0.00 56.01 55.51 1ya8 n LEU 63 Cb 0.03 -0.18 -0.03 0.00 -2.33 0.00 0.00 43.42 40.90 1ya8 n LEU 63 CO 0.02 0.13 0.95 -0.60 -1.33 0.00 0.00 177.39 176.56 1ya8 s ARG 64 N -2.57 4.42 -0.82 3.23 3.52 -0.90 -3.16 118.95 122.67 1ya8 s ARG 64 Ca 0.24 1.97 -0.05 0.00 -0.13 0.00 0.00 55.73 57.77 1ya8 s ARG 64 Cb 0.19 -3.23 0.01 0.00 -1.56 0.00 0.00 34.95 30.36 1ya8 s ARG 64 CO 0.52 -0.22 0.71 1.19 -0.81 0.00 0.00 175.30 176.69 1ya8 n PHE 65 N 2.86 -1.71 -3.95 5.12 3.72 -1.26 -4.98 117.46 117.25 1ya8 n PHE 65 Ca 0.06 0.62 -0.09 0.00 -0.05 0.00 0.00 57.45 57.99 1ya8 n PHE 65 Cb 0.44 -3.58 -0.07 0.00 -0.94 0.00 0.00 39.48 35.32 1ya8 n PHE 65 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1ya8 s THR 66 N -3.20 0.08 0.44 4.37 -4.23 -1.19 -4.85 115.64 107.05 1ya8 s THR 66 Ca 0.30 -1.38 -0.25 0.00 -1.18 0.00 0.00 61.69 59.18 1ya8 s THR 66 Cb -0.13 -1.78 -0.08 0.00 1.34 0.00 0.00 72.50 71.85 1ya8 s THR 66 CO 0.45 -0.35 1.27 -2.84 -0.54 0.00 0.00 174.62 172.61 1ya8 s PRO 67 N -3.96 3.80 0.30 3.99 0.02 -1.26 -4.92 135.00 132.97 1ya8 s PRO 67 Ca 0.16 2.06 -0.29 0.00 0.02 0.00 0.00 61.00 62.95 1ya8 s PRO 67 Cb 0.04 -2.60 -0.11 0.00 0.02 0.00 0.00 34.50 31.85 1ya8 s PRO 67 CO -0.01 -0.60 1.45 -1.25 -0.33 0.00 0.00 177.00 176.26 1ya8 s PRO 68 N -2.44 4.23 0.22 5.54 0.04 -1.26 -5.02 135.00 136.30 1ya8 s PRO 68 Ca 0.61 2.39 0.06 0.00 0.04 0.00 0.00 61.00 64.09 1ya8 s PRO 68 Cb -0.36 -3.06 -0.04 0.00 0.04 0.00 0.00 34.50 31.09 1ya8 s PRO 68 CO 0.45 -0.43 0.20 -0.65 0.04 0.00 0.00 177.00 176.61 1ya8 s GLN 69 N -1.04 2.99 0.59 4.56 -0.21 -1.26 -4.96 119.66 120.33 1ya8 s GLN 69 Ca 0.56 -0.95 -0.18 0.00 0.02 0.00 0.00 55.36 54.81 1ya8 s GLN 69 Cb -0.43 -2.64 -0.06 0.00 1.00 0.00 0.00 33.01 30.88 1ya8 s GLN 69 CO 0.50 0.43 0.81 -2.30 -2.12 0.00 0.00 175.29 172.61 1ya8 n PRO 70 N -0.94 0.75 -2.66 2.91 -0.02 -1.26 0.82 135.00 134.59 1ya8 n PRO 70 Ca -0.08 0.29 -0.36 0.00 -2.02 0.00 0.00 63.50 61.34 1ya8 n PRO 70 Cb 0.57 -2.00 -0.05 0.00 -0.02 0.00 0.00 33.50 31.99 1ya8 n PRO 70 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ya8 s ALA 71 N -1.59 3.08 0.13 3.55 0.00 -1.26 -3.28 121.76 122.39 1ya8 s ALA 71 Ca 0.74 0.58 -0.30 0.00 0.00 0.00 0.00 51.96 52.98 1ya8 s ALA 71 Cb -0.43 -3.22 -0.06 0.00 0.00 0.00 0.00 23.12 19.41 1ya8 s ALA 71 CO 0.49 -0.05 1.05 -1.21 0.00 0.00 0.00 175.76 176.04 1ya8 s GLU 72 N -2.61 4.61 0.57 0.00 0.41 -1.26 -4.91 118.70 115.51 1ya8 s GLU 72 Ca 0.58 1.60 -0.20 0.00 -0.41 0.00 0.00 54.97 56.54 1ya8 s GLU 72 Cb -0.18 -3.34 -0.04 0.00 -1.78 0.00 0.00 34.13 28.79 1ya8 s GLU 72 CO 0.23 0.08 1.22 -1.25 -0.49 0.00 0.00 175.26 175.05 1ya8 s PRO 73 N 0.03 3.10 -0.06 0.39 0.04 -1.26 -5.03 135.00 132.20 1ya8 s PRO 73 Ca 0.50 1.88 0.00 0.00 0.04 0.00 0.00 61.00 63.42 1ya8 s PRO 73 Cb -0.26 -2.03 -0.03 0.00 0.04 0.00 0.00 34.50 32.21 1ya8 s PRO 73 CO 0.32 -1.12 -0.04 1.67 0.04 0.00 0.00 177.00 177.87 1ya8 s TRP 74 N -1.55 3.01 0.12 0.56 -2.14 -0.11 -5.04 118.94 113.80 1ya8 s TRP 74 Ca 0.75 0.08 -0.18 0.00 2.66 0.00 0.00 56.10 59.40 1ya8 s TRP 74 Cb -0.32 -1.72 -0.04 0.00 -3.10 0.00 0.00 33.47 28.29 1ya8 s TRP 74 CO 0.35 0.39 1.73 0.77 -2.66 0.00 0.00 176.95 177.53 1ya8 h SER 75 N 5.06 0.36 0.00 -2.66 0.02 -1.96 -3.43 113.55 110.94 1ya8 h SER 75 Ca -0.49 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.37 1ya8 h SER 75 Cb 1.18 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.63 1ya8 h SER 75 CO 0.54 0.34 0.00 0.49 -1.14 0.00 0.00 176.83 177.05 1ya8 n PHE 76 N -4.82 0.00 -3.64 3.45 3.01 -1.26 -5.00 117.46 109.19 1ya8 n PHE 76 Ca -0.02 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 58.07 1ya8 n PHE 76 Cb 0.07 0.00 -0.11 0.00 -0.01 0.00 0.00 39.48 39.43 1ya8 n PHE 76 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1ya8 s VAL 77 N 4.16 4.97 -0.16 -4.37 1.01 -1.26 -4.02 120.40 120.73 1ya8 s VAL 77 Ca 0.00 0.03 -0.20 0.00 0.00 0.00 0.00 61.98 61.81 1ya8 s VAL 77 Cb 0.00 -3.37 -0.03 0.00 0.00 0.00 0.00 36.38 32.98 1ya8 s VAL 77 CO 0.00 0.26 0.58 -0.75 0.00 0.00 0.00 175.10 175.19 1ya8 s LYS 78 N 1.71 4.26 -1.04 2.72 2.20 -0.61 -4.91 119.74 124.07 1ya8 s LYS 78 Ca 0.07 0.57 -0.23 0.00 -0.36 0.00 0.00 55.97 56.02 1ya8 s LYS 78 Cb -0.16 -3.53 0.05 0.00 -1.51 0.00 0.00 37.83 32.68 1ya8 s LYS 78 CO 0.09 -0.10 1.51 -0.80 -0.36 0.00 0.00 175.35 175.69 1ya8 s ASN 79 N 1.02 6.45 -1.35 1.43 -0.87 -1.26 -0.09 114.94 120.26 1ya8 s ASN 79 Ca 0.28 -1.50 -0.16 0.00 -1.57 0.00 0.00 52.86 49.91 1ya8 s ASN 79 Cb -0.16 -2.57 0.04 0.00 -0.02 0.00 0.00 41.25 38.54 1ya8 s ASN 79 CO 0.11 -1.56 2.01 0.00 -2.57 0.00 0.00 177.10 175.10 1ya8 n ALA 80 N 9.16 4.52 -2.01 0.60 0.00 0.65 -4.40 120.51 129.03 1ya8 n ALA 80 Ca 0.35 -3.80 0.03 0.00 0.00 0.00 0.00 53.44 50.01 1ya8 n ALA 80 Cb 0.50 -3.57 0.04 0.00 0.00 0.00 0.00 19.45 16.42 1ya8 n ALA 80 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1ya8 n THR 81 N 5.75 0.39 -3.71 0.00 -2.24 -1.21 -1.48 114.28 111.79 1ya8 n THR 81 Ca 0.50 -0.82 -0.17 0.00 -2.27 0.00 0.00 64.05 61.30 1ya8 n THR 81 Cb 0.42 0.51 -0.16 0.00 -2.10 0.00 0.00 70.33 69.00 1ya8 n THR 81 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1ya8 s SER 82 N -1.70 0.53 0.09 3.42 0.01 -1.25 -4.95 113.70 109.84 1ya8 s SER 82 Ca 0.17 0.19 -0.36 0.00 1.31 0.00 0.00 55.95 57.26 1ya8 s SER 82 Cb 0.18 0.06 -0.16 0.00 0.21 0.00 0.00 66.02 66.31 1ya8 s SER 82 CO -0.05 -0.20 1.38 -1.22 0.41 0.00 0.00 173.24 173.56 1ya8 n TYR 83 N 4.83 1.62 -1.82 2.43 4.01 -1.26 -4.08 117.16 122.89 1ya8 n TYR 83 Ca -0.14 0.59 -0.30 0.00 -0.16 0.00 0.00 57.90 57.89 1ya8 n TYR 83 Cb 0.50 -2.36 0.04 0.00 -0.31 0.00 0.00 39.34 37.21 1ya8 n TYR 83 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1ya8 s PRO 84 N 0.62 2.96 0.71 -0.72 0.04 -1.26 -4.95 135.00 132.40 1ya8 s PRO 84 Ca 0.84 0.59 -0.15 0.00 0.04 0.00 0.00 61.00 62.32 1ya8 s PRO 84 Cb -0.92 -2.02 0.03 0.00 0.04 0.00 0.00 34.50 31.62 1ya8 s PRO 84 CO 0.46 -0.99 1.17 -2.14 0.04 0.00 0.00 177.00 175.54 1ya8 s PRO 85 N -5.27 2.37 -0.13 0.56 0.02 -1.26 -4.80 135.00 126.48 1ya8 s PRO 85 Ca 0.58 1.63 -0.09 0.00 0.02 0.00 0.00 61.00 63.14 1ya8 s PRO 85 Cb -0.12 -1.87 -0.04 0.00 0.02 0.00 0.00 34.50 32.49 1ya8 s PRO 85 CO 0.53 -1.63 0.18 0.00 -0.33 0.00 0.00 177.00 175.75 1ya8 s MET 86 N -3.96 3.72 0.42 5.54 0.23 0.24 -4.70 119.30 120.78 1ya8 s MET 86 Ca 0.72 -0.07 -0.22 0.00 -1.03 0.00 0.00 55.69 55.08 1ya8 s MET 86 Cb -0.26 -3.26 -0.13 0.00 -1.53 0.00 0.00 34.83 29.65 1ya8 s MET 86 CO 0.44 0.62 0.51 0.00 -2.03 0.00 0.00 175.02 174.56 1ya8 n THR 88 N -0.89 0.11 -3.58 0.00 -1.04 -1.13 -4.66 114.28 103.09 1ya8 n THR 88 Ca 0.11 -0.02 -0.07 0.00 -2.04 0.00 0.00 64.05 62.04 1ya8 n THR 88 Cb 0.40 -1.06 0.02 0.00 -1.82 0.00 0.00 70.33 67.86 1ya8 n THR 88 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ya8 n GLN 89 N 3.60 0.74 -2.14 -2.82 10.64 -1.26 -4.75 117.38 121.39 1ya8 n GLN 89 Ca 0.21 -1.57 -0.43 0.00 -1.83 0.00 0.00 57.00 53.38 1ya8 n GLN 89 Cb 0.19 1.90 -0.02 0.00 -0.86 0.00 0.00 30.24 31.44 1ya8 n GLN 89 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 1ya8 s ASP 90 N -2.42 6.05 0.29 2.61 -1.08 -1.26 -4.85 116.67 116.01 1ya8 s ASP 90 Ca 0.12 1.09 0.01 0.00 -0.52 0.00 0.00 52.55 53.24 1ya8 s ASP 90 Cb -0.03 -2.53 0.53 0.00 -1.46 0.00 0.00 42.92 39.42 1ya8 s ASP 90 CO 0.09 -1.62 1.87 1.55 0.52 0.00 0.00 175.17 177.58 1ya8 h PRO 91 N 12.05 1.01 0.71 4.34 0.13 -1.97 1.30 132.00 149.57 1ya8 h PRO 91 Ca -0.31 -0.06 -0.03 0.00 -0.87 0.00 0.00 66.00 64.72 1ya8 h PRO 91 Cb 1.14 -0.23 0.01 0.00 0.13 0.00 0.00 31.00 32.05 1ya8 h PRO 91 CO 1.06 0.67 -0.34 -0.22 -0.23 0.00 0.00 178.00 178.93 1ya8 h LYS 92 N 1.04 -0.92 -0.75 0.86 3.64 -2.00 -0.33 116.57 118.11 1ya8 h LYS 92 Ca 0.45 0.06 0.05 0.00 -1.27 0.00 0.00 60.65 59.94 1ya8 h LYS 92 Cb 0.35 0.21 -0.05 0.00 -0.41 0.00 0.00 32.23 32.33 1ya8 h LYS 92 CO -0.21 -0.61 0.46 0.00 -2.27 0.00 0.00 179.45 176.82 1ya8 h ALA 93 N -1.21 1.01 0.71 5.00 0.00 -1.88 -2.37 119.26 120.53 1ya8 h ALA 93 Ca -0.10 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1ya8 h ALA 93 Cb 0.74 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1ya8 h ALA 93 CO 0.16 0.20 -0.39 0.78 0.00 0.00 0.00 179.25 180.00 1ya8 h GLY 94 N 0.86 -1.09 0.71 0.00 0.00 0.17 -2.71 103.07 101.01 1ya8 h GLY 94 Ca 0.32 0.43 0.13 0.00 0.00 0.00 0.00 47.33 48.21 1ya8 h GLY 94 CO -0.15 -0.39 0.52 -1.61 0.00 0.00 0.00 176.54 174.91 1ya8 h GLN 95 N -1.02 0.58 0.21 4.80 4.15 -0.90 -2.20 115.11 120.73 1ya8 h GLN 95 Ca -0.09 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.28 1ya8 h GLN 95 Cb 0.80 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.37 1ya8 h GLN 95 CO 0.13 0.38 -0.10 1.25 -1.93 0.00 0.00 178.83 178.56 1ya8 h LEU 96 N 0.59 -0.24 -1.42 -2.39 5.85 -1.25 -1.74 115.31 114.72 1ya8 h LEU 96 Ca 0.39 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 59.00 1ya8 h LEU 96 Cb 0.67 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.73 1ya8 h LEU 96 CO -0.15 -0.05 0.23 0.25 -0.34 0.00 0.00 178.44 178.38 1ya8 h LEU 97 N -0.41 0.56 -0.59 2.25 5.85 -1.19 -0.97 115.31 120.81 1ya8 h LEU 97 Ca -0.03 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.65 1ya8 h LEU 97 Cb 0.31 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 1ya8 h LEU 97 CO 0.05 0.47 0.37 -1.28 -0.34 0.00 0.00 178.44 177.71 1ya8 h SER 98 N 0.63 0.69 0.33 1.25 0.87 -1.17 -0.06 113.55 116.11 1ya8 h SER 98 Ca 0.16 -0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.67 1ya8 h SER 98 Cb 0.04 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 61.83 1ya8 h SER 98 CO -0.02 0.53 -0.16 -0.33 -0.53 0.00 0.00 176.83 176.31 1ya8 h GLU 99 N 0.80 -0.43 -0.89 2.24 5.08 -0.39 0.20 114.58 121.18 1ya8 h GLU 99 Ca 0.21 0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.64 1ya8 h GLU 99 Cb -0.05 0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.24 1ya8 h GLU 99 CO -0.04 -0.17 0.57 -0.07 -1.00 0.00 0.00 179.01 178.30 1ya8 h LEU 100 N -0.65 0.94 0.00 1.33 3.38 -1.07 -3.14 115.31 116.09 1ya8 h LEU 100 Ca -0.05 -0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.79 1ya8 h LEU 100 Cb 0.46 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1ya8 h LEU 100 CO 0.08 0.63 -1.25 -0.26 0.09 0.00 0.00 178.44 177.73 1ya8 h PHE 101 N 1.09 0.00 -3.17 1.13 -1.00 -1.02 -3.48 116.94 110.49 1ya8 h PHE 101 Ca 0.36 0.00 -0.55 0.00 2.81 0.00 0.00 57.97 60.59 1ya8 h PHE 101 Cb 0.05 0.00 0.20 0.00 3.61 0.00 0.00 35.95 39.81 1ya8 h PHE 101 CO -0.02 0.46 -0.57 -2.37 -1.61 0.00 0.00 178.31 174.20 1ya8 n THR 102 N -2.88 1.02 0.02 -1.55 5.66 0.69 -4.87 114.28 112.37 1ya8 n THR 102 Ca -0.07 -0.34 0.00 0.00 -3.05 0.00 0.00 64.05 60.60 1ya8 n THR 102 Cb 0.78 -0.63 0.00 0.00 -1.55 0.00 0.00 70.33 68.93 1ya8 n THR 102 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 1ya8 n ASN 103 N -0.31 0.72 -4.90 1.09 6.94 -1.24 -4.98 115.26 112.58 1ya8 n ASN 103 Ca 0.08 -0.86 -0.28 0.00 -0.02 0.00 0.00 54.58 53.50 1ya8 n ASN 103 Cb 0.51 0.32 -0.01 0.00 -2.36 0.00 0.00 39.78 38.24 1ya8 n ASN 103 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ya8 s ARG 104 N -0.37 3.60 0.07 -3.83 1.70 -1.26 -4.42 118.95 114.44 1ya8 s ARG 104 Ca 0.01 0.23 -0.18 0.00 -0.47 0.00 0.00 55.73 55.31 1ya8 s ARG 104 Cb 0.00 -2.40 -0.07 0.00 -0.57 0.00 0.00 34.95 31.92 1ya8 s ARG 104 CO 0.01 -0.13 1.30 1.57 -1.08 0.00 0.00 175.30 176.97 1ya8 h LYS 105 N 0.55 -0.26 -5.82 3.89 2.10 -1.94 -3.41 116.57 111.67 1ya8 h LYS 105 Ca -0.47 0.02 -0.67 0.00 -2.00 0.00 0.00 60.65 57.52 1ya8 h LYS 105 Cb 1.20 0.06 -0.11 0.00 -0.90 0.00 0.00 32.23 32.48 1ya8 h LYS 105 CO 0.62 -0.17 -0.55 -1.83 -2.00 0.00 0.00 179.45 175.52 1ya8 s GLU 106 N -4.47 3.19 0.31 0.07 -1.05 -1.26 -5.02 118.70 110.47 1ya8 s GLU 106 Ca -0.08 -0.28 -0.27 0.00 -0.15 0.00 0.00 54.97 54.18 1ya8 s GLU 106 Cb 0.04 -2.98 -0.10 0.00 -0.44 0.00 0.00 34.13 30.66 1ya8 s GLU 106 CO 0.34 0.74 0.95 1.21 0.95 0.00 0.00 175.26 179.45 1ya8 s ASN 107 N -0.99 7.37 -0.36 0.83 3.04 -1.26 -5.02 114.94 118.55 1ya8 s ASN 107 Ca 0.15 1.89 -0.15 0.00 0.04 0.00 0.00 52.86 54.79 1ya8 s ASN 107 Cb -0.12 -2.59 -0.00 0.00 -1.54 0.00 0.00 41.25 37.00 1ya8 s ASN 107 CO 0.04 -0.05 0.32 -0.63 -3.04 0.00 0.00 177.10 173.75 1ya8 s ILE 108 N -1.51 5.21 0.47 -5.21 -1.09 -1.26 -5.06 121.20 112.75 1ya8 s ILE 108 Ca 0.48 -0.19 -0.23 0.00 -2.23 0.00 0.00 60.65 58.48 1ya8 s ILE 108 Cb -0.21 -3.83 -0.07 0.00 -1.58 0.00 0.00 42.46 36.77 1ya8 s ILE 108 CO 0.26 -0.14 1.24 -2.16 -1.23 0.00 0.00 174.94 172.92 1ya8 s PRO 109 N 1.89 3.62 0.12 2.79 0.04 -1.26 -4.97 135.00 137.23 1ya8 s PRO 109 Ca 0.09 1.97 0.05 0.00 0.04 0.00 0.00 61.00 63.16 1ya8 s PRO 109 Cb -0.17 -2.43 -0.04 0.00 0.04 0.00 0.00 34.50 31.90 1ya8 s PRO 109 CO 0.11 -0.72 -0.13 -0.51 0.04 0.00 0.00 177.00 175.79 1ya8 s LEU 110 N -3.06 2.42 0.22 -3.56 1.43 -1.26 -5.12 118.68 109.74 1ya8 s LEU 110 Ca 0.65 -0.83 0.00 0.00 -1.03 0.00 0.00 54.13 52.92 1ya8 s LEU 110 Cb -0.34 -0.48 -0.04 0.00 0.03 0.00 0.00 46.19 45.37 1ya8 s LEU 110 CO 0.41 -0.19 0.40 -0.54 0.23 0.00 0.00 176.35 176.66 1ya8 s LYS 111 N -2.79 3.51 0.29 1.70 1.02 -1.26 -4.91 119.74 117.30 1ya8 s LYS 111 Ca 0.09 -0.39 -0.01 0.00 0.02 0.00 0.00 55.97 55.68 1ya8 s LYS 111 Cb -0.04 -2.83 -0.04 0.00 -0.52 0.00 0.00 37.83 34.40 1ya8 s LYS 111 CO 0.02 0.38 0.51 -0.51 -0.92 0.00 0.00 175.35 174.83 1ya8 s LEU 112 N -3.49 4.08 0.00 3.17 1.43 -1.26 -0.60 118.68 122.02 1ya8 s LEU 112 Ca 0.38 0.50 0.00 0.00 -1.03 0.00 0.00 54.13 53.98 1ya8 s LEU 112 Cb -0.11 -3.32 0.00 0.00 0.03 0.00 0.00 46.19 42.79 1ya8 s LEU 112 CO 0.30 -0.20 0.00 -0.24 0.23 0.00 0.00 176.35 176.43 1ya8 n SER 113 N -1.29 0.00 0.21 2.29 2.88 -1.16 -4.86 113.62 111.70 1ya8 n SER 113 Ca -0.04 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.58 1ya8 n SER 113 Cb 0.55 0.00 0.43 0.00 -0.75 0.00 0.00 64.21 64.44 1ya8 n SER 113 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1ya8 h GLU 114 N 0.00 0.00 -5.58 -1.46 5.08 -1.95 -2.99 114.58 107.68 1ya8 h GLU 114 Ca 0.00 0.00 -0.67 0.00 -1.00 0.00 0.00 59.36 57.69 1ya8 h GLU 114 Cb 0.00 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.13 1ya8 h GLU 114 CO 0.00 0.27 1.64 0.34 -1.00 0.00 0.00 179.01 180.26 1ya8 s ASP 115 N -6.28 6.77 0.00 1.42 2.15 -1.26 -4.49 116.67 114.97 1ya8 s ASP 115 Ca 0.00 -2.23 0.00 0.00 0.43 0.00 0.00 52.55 50.75 1ya8 s ASP 115 Cb 0.11 -2.51 0.00 0.00 -0.30 0.00 0.00 42.92 40.21 1ya8 s ASP 115 CO 0.65 -1.16 0.02 0.00 -0.17 0.00 0.00 175.17 174.51 1ya8 n LEU 117 N -0.00 4.29 -4.52 0.00 4.77 -1.26 -4.73 117.00 115.54 1ya8 n LEU 117 Ca 0.00 -3.25 -0.24 0.00 -0.03 0.00 0.00 56.01 52.49 1ya8 n LEU 117 Cb 0.23 -1.42 -0.11 0.00 -2.33 0.00 0.00 43.42 39.79 1ya8 n LEU 117 CO 0.00 -0.50 -0.28 -0.31 -1.33 0.00 0.00 177.39 174.97 1ya8 s TYR 118 N 6.31 2.17 -0.03 -1.77 1.51 -1.26 -2.99 117.35 121.30 1ya8 s TYR 118 Ca 0.59 -0.85 -0.08 0.00 -1.01 0.00 0.00 57.07 55.71 1ya8 s TYR 118 Cb 0.09 -1.47 0.01 0.00 -0.11 0.00 0.00 41.96 40.48 1ya8 s TYR 118 CO 0.09 0.17 0.18 -0.48 -1.11 0.00 0.00 175.55 174.41 1ya8 s LEU 119 N -3.58 1.34 0.02 -1.29 0.05 -0.80 -1.96 118.68 112.47 1ya8 s LEU 119 Ca 0.35 0.04 0.01 0.00 0.05 0.00 0.00 54.13 54.59 1ya8 s LEU 119 Cb 0.09 0.77 -0.04 0.00 -2.05 0.00 0.00 46.19 44.96 1ya8 s LEU 119 CO 0.16 -0.28 0.04 0.20 -0.55 0.00 0.00 176.35 175.92 1ya8 s ASN 120 N -0.87 5.34 -0.03 1.48 0.01 0.71 -2.45 114.94 119.13 1ya8 s ASN 120 Ca -0.10 0.02 0.05 0.00 -0.71 0.00 0.00 52.86 52.13 1ya8 s ASN 120 Cb -0.05 -1.43 -0.01 0.00 0.41 0.00 0.00 41.25 40.16 1ya8 s ASN 120 CO 0.02 0.25 -0.19 -0.63 -1.51 0.00 0.00 177.10 175.04 1ya8 s ILE 121 N -1.18 1.51 -0.31 0.60 1.01 -0.29 -1.26 121.20 121.28 1ya8 s ILE 121 Ca 0.22 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 60.09 1ya8 s ILE 121 Cb -0.12 -1.27 0.10 0.00 0.01 0.00 0.00 42.46 41.18 1ya8 s ILE 121 CO 0.14 0.43 0.08 -0.31 0.00 0.00 0.00 174.94 175.27 1ya8 s TYR 122 N -0.24 2.25 -0.13 3.97 1.51 0.25 -0.96 117.35 124.00 1ya8 s TYR 122 Ca 0.02 -2.04 -0.01 0.00 -1.01 0.00 0.00 57.07 54.03 1ya8 s TYR 122 Cb -0.09 -2.00 -0.02 0.00 -0.11 0.00 0.00 41.96 39.74 1ya8 s TYR 122 CO 0.01 -0.88 -0.09 -0.08 -1.11 0.00 0.00 175.55 173.39 1ya8 s THR 123 N 1.43 3.45 -0.96 -0.71 -1.32 -0.38 -1.30 115.64 115.86 1ya8 s THR 123 Ca 0.09 -0.53 0.23 0.00 -1.21 0.00 0.00 61.69 60.27 1ya8 s THR 123 Cb -0.18 -2.46 -0.13 0.00 -1.51 0.00 0.00 72.50 68.22 1ya8 s THR 123 CO -0.20 0.53 1.10 -0.81 -2.21 0.00 0.00 174.62 173.03 1ya8 n PRO 124 N 3.30 0.03 -1.04 7.08 -0.04 -1.26 -0.15 135.00 142.92 1ya8 n PRO 124 Ca -0.18 -0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 62.94 1ya8 n PRO 124 Cb 0.53 -1.51 0.12 0.00 -0.04 0.00 0.00 33.50 32.60 1ya8 n PRO 124 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ya8 n ALA 125 N -1.54 -0.69 -3.04 0.55 0.00 -1.26 -4.83 120.51 109.71 1ya8 n ALA 125 Ca 0.04 -0.38 -0.45 0.00 0.00 0.00 0.00 53.44 52.66 1ya8 n ALA 125 Cb 0.34 -2.12 -0.03 0.00 0.00 0.00 0.00 19.45 17.65 1ya8 n ALA 125 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1ya8 s ASP 126 N -2.06 6.61 0.63 0.00 2.15 -1.26 -4.80 116.67 117.94 1ya8 s ASP 126 Ca 0.69 -2.12 0.23 0.00 0.43 0.00 0.00 52.55 51.78 1ya8 s ASP 126 Cb -0.28 -2.35 1.14 0.00 -0.30 0.00 0.00 42.92 41.13 1ya8 s ASP 126 CO 0.55 -0.96 1.62 -0.07 -0.17 0.00 0.00 175.17 176.14 1ya8 h LEU 127 N 9.76 0.00 -2.46 -1.34 3.38 -1.92 -0.10 115.31 122.62 1ya8 h LEU 127 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1ya8 h LEU 127 Cb 1.03 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.78 1ya8 h LEU 127 CO 1.02 0.00 0.02 0.71 0.09 0.00 0.00 178.44 180.28 1ya8 h THR 128 N 0.00 0.51 -3.18 0.22 1.35 -2.00 -3.44 112.91 106.37 1ya8 h THR 128 Ca 0.15 0.00 -0.46 0.00 -0.55 0.00 0.00 66.41 65.55 1ya8 h THR 128 Cb 1.48 0.99 -0.14 0.00 -1.73 0.00 0.00 68.15 68.75 1ya8 h THR 128 CO -0.00 0.00 -0.58 -1.59 -0.25 0.00 0.00 175.52 173.10 1ya8 s LYS 129 N -4.63 1.66 0.37 4.72 -2.85 -0.05 -5.13 119.74 113.83 1ya8 s LYS 129 Ca -0.05 -1.95 -0.27 0.00 -1.00 0.00 0.00 55.97 52.71 1ya8 s LYS 129 Cb 0.15 -0.53 -0.09 0.00 -2.06 0.00 0.00 37.83 35.30 1ya8 s LYS 129 CO 0.54 -0.33 1.21 0.21 0.10 0.00 0.00 175.35 177.08 1ya8 s LYS 130 N -3.87 4.17 -0.17 1.78 2.20 -1.26 -4.81 119.74 117.78 1ya8 s LYS 130 Ca 0.33 1.97 -0.19 0.00 -0.36 0.00 0.00 55.97 57.72 1ya8 s LYS 130 Cb 0.06 -2.83 0.05 0.00 -1.51 0.00 0.00 37.83 33.60 1ya8 s LYS 130 CO 0.15 -0.26 0.52 -0.80 -0.36 0.00 0.00 175.35 174.60 1ya8 s ASN 131 N -0.90 -0.52 -0.46 1.43 0.01 -1.26 -5.01 114.94 108.22 1ya8 s ASN 131 Ca 0.54 0.95 0.08 0.00 -0.71 0.00 0.00 52.86 53.72 1ya8 s ASN 131 Cb -0.34 0.97 0.27 0.00 0.41 0.00 0.00 41.25 42.56 1ya8 s ASN 131 CO 0.44 -0.23 0.63 0.54 -1.51 0.00 0.00 177.10 176.96 1ya8 n ARG 132 N 2.54 1.35 -2.84 -0.60 3.00 -1.17 -3.72 116.66 115.21 1ya8 n ARG 132 Ca -0.15 -3.70 -0.36 0.00 -0.01 0.00 0.00 57.85 53.63 1ya8 n ARG 132 Cb 0.56 -1.60 -0.06 0.00 0.00 0.00 0.00 32.46 31.36 1ya8 n ARG 132 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1ya8 s LEU 133 N -1.82 4.27 0.48 0.55 1.43 0.58 -4.35 118.68 119.81 1ya8 s LEU 133 Ca 0.38 1.74 -0.24 0.00 -1.03 0.00 0.00 54.13 54.98 1ya8 s LEU 133 Cb 0.20 -4.04 -0.08 0.00 0.03 0.00 0.00 46.19 42.30 1ya8 s LEU 133 CO -0.08 -0.11 1.32 -0.81 0.23 0.00 0.00 176.35 176.90 1ya8 n PRO 134 N 0.35 1.87 -4.51 1.29 -0.04 -1.26 -1.09 135.00 131.61 1ya8 n PRO 134 Ca 0.02 0.68 -0.34 0.00 -0.04 0.00 0.00 63.50 63.82 1ya8 n PRO 134 Cb 0.51 -2.49 -0.11 0.00 -0.04 0.00 0.00 33.50 31.37 1ya8 n PRO 134 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1ya8 s VAL 135 N -1.24 3.95 -0.23 0.52 1.01 -0.50 -1.55 120.40 122.35 1ya8 s VAL 135 Ca 0.65 -0.38 0.01 0.00 0.00 0.00 0.00 61.98 62.26 1ya8 s VAL 135 Cb -0.46 -2.64 0.06 0.00 0.00 0.00 0.00 36.38 33.34 1ya8 s VAL 135 CO 0.54 0.59 -0.07 -0.04 0.00 0.00 0.00 175.10 176.12 1ya8 s MET 136 N -0.71 1.79 -0.24 2.72 -1.94 -0.06 -0.21 119.30 120.65 1ya8 s MET 136 Ca 0.11 -1.03 -0.14 0.00 -1.71 0.00 0.00 55.69 52.92 1ya8 s MET 136 Cb -0.11 -2.61 -0.04 0.00 2.01 0.00 0.00 34.83 34.07 1ya8 s MET 136 CO 0.02 -0.57 0.31 0.08 -0.01 0.00 0.00 175.02 174.85 1ya8 s VAL 137 N 1.35 5.24 -0.15 -6.03 1.01 0.69 -1.30 120.40 121.21 1ya8 s VAL 137 Ca -0.06 0.49 -0.07 0.00 0.00 0.00 0.00 61.98 62.34 1ya8 s VAL 137 Cb -0.19 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 1ya8 s VAL 137 CO -0.06 0.25 0.10 0.86 0.00 0.00 0.00 175.10 176.24 1ya8 s TRP 138 N 1.49 3.40 -0.28 5.22 -0.11 0.65 -1.24 118.94 128.06 1ya8 s TRP 138 Ca 0.14 0.31 0.01 0.00 1.22 0.00 0.00 56.10 57.78 1ya8 s TRP 138 Cb -0.15 -2.00 0.06 0.00 -1.50 0.00 0.00 33.47 29.88 1ya8 s TRP 138 CO 0.08 0.44 -0.05 0.42 -4.62 0.00 0.00 176.95 173.22 1ya8 s ILE 139 N -0.31 2.51 0.80 5.86 1.01 -0.81 -2.61 121.20 127.64 1ya8 s ILE 139 Ca 0.10 -1.60 -0.12 0.00 0.00 0.00 0.00 60.65 59.03 1ya8 s ILE 139 Cb -0.12 -2.50 0.08 0.00 0.01 0.00 0.00 42.46 39.93 1ya8 s ILE 139 CO 0.01 -0.11 1.14 -1.38 0.00 0.00 0.00 174.94 174.59 1ya8 s HIS 140 N 1.14 2.14 0.00 3.97 -3.43 -1.26 -3.44 115.29 114.41 1ya8 s HIS 140 Ca -0.06 1.65 0.00 0.00 -0.80 0.00 0.00 55.06 55.85 1ya8 s HIS 140 Cb -0.20 -3.25 0.00 0.00 -1.43 0.00 0.00 32.58 27.70 1ya8 s HIS 140 CO -0.04 -2.30 0.00 0.41 -2.00 0.00 0.00 174.74 170.81 1ya8 n GLY 141 N -0.32 1.17 0.00 -1.38 0.00 -1.18 -3.46 105.19 100.02 1ya8 n GLY 141 Ca 0.11 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 44.12 1ya8 n GLY 141 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ya8 n GLY 142 N 5.00 0.99 2.33 -0.02 0.00 -1.26 -4.47 105.19 107.76 1ya8 n GLY 142 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 1ya8 n GLY 142 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ya8 n GLY 143 N 0.00 0.41 2.86 -0.02 0.00 -1.26 -1.65 105.19 105.53 1ya8 n GLY 143 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ya8 n GLY 143 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ya8 n LEU 144 N -2.50 0.73 -0.03 0.99 4.77 -1.26 -4.76 117.00 114.94 1ya8 n LEU 144 Ca -0.17 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.79 1ya8 n LEU 144 Cb 0.59 -1.85 -0.08 0.00 -2.33 0.00 0.00 43.42 39.75 1ya8 n LEU 144 CO 0.23 -0.68 -0.75 0.23 -1.33 0.00 0.00 177.39 175.09 1ya8 n MET 145 N -0.33 1.73 -4.04 3.23 2.81 -0.66 -0.39 117.12 119.47 1ya8 n MET 145 Ca 0.00 -0.03 -0.12 0.00 -1.81 0.00 0.00 57.70 55.74 1ya8 n MET 145 Cb 0.32 -1.24 -0.05 0.00 -0.71 0.00 0.00 33.22 31.54 1ya8 n MET 145 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1ya8 s VAL 146 N -2.39 0.00 0.00 2.03 -7.23 -0.78 -4.46 120.40 107.56 1ya8 s VAL 146 Ca -0.04 -1.52 0.00 0.00 -1.81 0.00 0.00 61.98 58.61 1ya8 s VAL 146 Cb 0.04 -2.45 0.00 0.00 0.56 0.00 0.00 36.38 34.53 1ya8 s VAL 146 CO 0.40 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.80 1ya8 n GLY 147 N -0.46 3.02 3.57 2.32 0.00 -1.26 -4.13 105.19 108.26 1ya8 n GLY 147 Ca -0.01 -2.01 -0.09 0.00 0.00 0.00 0.00 46.02 43.91 1ya8 n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ya8 s ALA 148 N -2.44 -1.09 0.00 4.61 0.00 -1.26 -4.59 121.76 116.99 1ya8 s ALA 148 Ca 0.00 -0.13 -0.06 0.00 0.00 0.00 0.00 51.96 51.77 1ya8 s ALA 148 Cb 0.00 0.86 -0.29 0.00 0.00 0.00 0.00 23.12 23.69 1ya8 s ALA 148 CO 0.00 -0.84 0.86 0.00 0.00 0.00 0.00 175.76 175.77 1ya8 h ALA 149 N 2.13 0.19 0.00 0.00 0.00 -1.92 -3.32 119.26 116.34 1ya8 h ALA 149 Ca -0.28 -1.07 0.00 0.00 0.00 0.00 0.00 54.91 53.56 1ya8 h ALA 149 Cb 1.27 0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.34 1ya8 h ALA 149 CO 0.35 1.06 0.00 0.43 0.00 0.00 0.00 179.25 181.09 1ya8 n SER 150 N -3.51 0.38 0.25 0.00 7.64 -1.26 -1.78 113.62 115.35 1ya8 n SER 150 Ca -0.17 0.67 0.12 0.00 1.01 0.00 0.00 58.87 60.50 1ya8 n SER 150 Cb 1.05 -0.73 0.68 0.00 -1.01 0.00 0.00 64.21 64.21 1ya8 n SER 150 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1ya8 h THR 151 N 0.00 0.60 -3.46 0.44 2.02 -1.94 -3.41 112.91 107.17 1ya8 h THR 151 Ca 0.00 -0.63 -0.67 0.00 0.77 0.00 0.00 66.41 65.89 1ya8 h THR 151 Cb 0.02 1.40 -0.29 0.00 -1.74 0.00 0.00 68.15 67.54 1ya8 h THR 151 CO 0.00 0.14 -0.72 -0.31 0.37 0.00 0.00 175.52 175.00 1ya8 s TYR 152 N -4.14 3.02 -0.27 3.16 1.51 -0.73 -3.67 117.35 116.23 1ya8 s TYR 152 Ca -0.02 -1.14 -0.19 0.00 -1.01 0.00 0.00 57.07 54.70 1ya8 s TYR 152 Cb 0.13 -2.11 -0.02 0.00 -0.11 0.00 0.00 41.96 39.85 1ya8 s TYR 152 CO 0.60 -0.61 0.57 0.34 -1.11 0.00 0.00 175.55 175.33 1ya8 s ASP 153 N 1.43 6.49 -0.15 2.29 3.68 -1.26 -4.94 116.67 124.20 1ya8 s ASP 153 Ca 0.04 0.55 0.05 0.00 2.13 0.00 0.00 52.55 55.32 1ya8 s ASP 153 Cb -0.15 -2.31 0.38 0.00 -1.45 0.00 0.00 42.92 39.39 1ya8 s ASP 153 CO -0.03 -0.35 1.23 0.61 0.13 0.00 0.00 175.17 176.77 1ya8 n GLY 154 N 4.33 2.57 0.42 2.66 0.00 -1.26 -4.51 105.19 109.40 1ya8 n GLY 154 Ca -0.03 -0.49 -0.16 0.00 0.00 0.00 0.00 46.02 45.35 1ya8 n GLY 154 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1ya8 h LEU 155 N 1.66 -0.89 0.04 0.99 5.85 -1.92 -2.63 115.31 118.42 1ya8 h LEU 155 Ca 0.10 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.88 1ya8 h LEU 155 Cb 1.47 0.23 -0.03 0.00 0.37 0.00 0.00 40.66 42.70 1ya8 h LEU 155 CO 0.35 -0.56 -0.18 0.00 -0.34 0.00 0.00 178.44 177.70 1ya8 h ALA 156 N -1.37 -0.26 -0.49 1.25 0.00 -1.84 -2.29 119.26 114.25 1ya8 h ALA 156 Ca -0.11 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 54.89 1ya8 h ALA 156 Cb 0.80 0.31 -0.08 0.00 0.00 0.00 0.00 17.79 18.82 1ya8 h ALA 156 CO 0.18 -0.69 -0.03 1.25 0.00 0.00 0.00 179.25 179.96 1ya8 h LEU 157 N -0.32 -0.27 0.12 0.00 5.85 -1.81 0.53 115.31 119.41 1ya8 h LEU 157 Ca 0.05 0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 1ya8 h LEU 157 Cb 0.37 0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.63 1ya8 h LEU 157 CO -0.15 -0.10 -0.06 0.00 -0.34 0.00 0.00 178.44 177.80 1ya8 h ALA 158 N 1.45 -0.16 -0.03 1.25 0.00 -1.27 -1.17 119.26 119.33 1ya8 h ALA 158 Ca 0.24 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1ya8 h ALA 158 Cb 0.37 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1ya8 h ALA 158 CO -0.43 -0.59 -0.01 0.00 0.00 0.00 0.00 179.25 178.21 1ya8 h ALA 159 N 0.72 0.04 -0.40 0.00 0.00 -1.00 0.60 119.26 119.22 1ya8 h ALA 159 Ca -0.02 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 1ya8 h ALA 159 Cb 0.13 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1ya8 h ALA 159 CO 0.02 -0.24 0.08 0.45 0.00 0.00 0.00 179.25 179.56 1ya8 h HIS 160 N -0.35 0.60 0.00 0.00 -0.00 0.02 -3.28 115.15 112.14 1ya8 h HIS 160 Ca 0.01 -0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.33 1ya8 h HIS 160 Cb 0.44 -0.18 0.00 0.00 -0.00 0.00 0.00 27.41 27.66 1ya8 h HIS 160 CO 0.07 0.53 -0.01 0.39 -0.00 0.00 0.00 177.93 178.91 1ya8 n GLU 161 N -4.31 2.25 -3.88 2.45 -0.58 -0.44 -5.02 120.64 111.09 1ya8 n GLU 161 Ca 0.02 -1.71 -0.39 0.00 -0.42 0.00 0.00 57.16 54.66 1ya8 n GLU 161 Cb 0.20 -1.08 0.03 0.00 -0.57 0.00 0.00 31.44 30.02 1ya8 n GLU 161 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1ya8 n ASN 162 N -0.70 -4.73 -4.20 1.62 2.85 0.19 -4.99 115.26 105.30 1ya8 n ASN 162 Ca 0.04 -1.16 -0.13 0.00 -0.11 0.00 0.00 54.58 53.22 1ya8 n ASN 162 Cb 0.38 -2.51 -0.10 0.00 1.24 0.00 0.00 39.78 38.79 1ya8 n ASN 162 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 1ya8 s VAL 163 N -3.50 0.93 -0.37 3.44 -7.23 -1.13 -4.60 120.40 107.94 1ya8 s VAL 163 Ca 0.49 -1.87 -0.19 0.00 -1.81 0.00 0.00 61.98 58.60 1ya8 s VAL 163 Cb -0.22 -1.61 0.00 0.00 0.56 0.00 0.00 36.38 35.11 1ya8 s VAL 163 CO 0.92 -0.72 0.58 -0.69 -0.31 0.00 0.00 175.10 174.88 1ya8 s VAL 164 N -3.11 4.93 -0.22 1.32 1.01 -0.59 -4.29 120.40 119.45 1ya8 s VAL 164 Ca 0.11 0.40 -0.14 0.00 0.00 0.00 0.00 61.98 62.34 1ya8 s VAL 164 Cb 0.01 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 1ya8 s VAL 164 CO -0.01 -0.32 0.33 -0.69 0.00 0.00 0.00 175.10 174.41 1ya8 s VAL 165 N 2.59 5.24 -0.17 2.92 1.01 -0.42 -0.88 120.40 130.69 1ya8 s VAL 165 Ca 0.22 0.54 0.01 0.00 0.00 0.00 0.00 61.98 62.75 1ya8 s VAL 165 Cb -0.15 -3.66 0.02 0.00 0.00 0.00 0.00 36.38 32.59 1ya8 s VAL 165 CO 0.15 0.26 -0.18 -0.69 0.00 0.00 0.00 175.10 174.64 1ya8 s VAL 166 N 1.38 1.88 -0.23 2.92 1.01 -0.42 -0.58 120.40 126.36 1ya8 s VAL 166 Ca 0.15 -0.85 -0.07 0.00 0.00 0.00 0.00 61.98 61.21 1ya8 s VAL 166 Cb -0.15 -1.73 -0.03 0.00 0.00 0.00 0.00 36.38 34.47 1ya8 s VAL 166 CO 0.07 0.49 0.07 0.42 0.00 0.00 0.00 175.10 176.16 1ya8 s THR 167 N 1.36 4.50 0.19 3.92 -4.23 -0.39 -0.25 115.64 120.74 1ya8 s THR 167 Ca 0.05 -0.12 0.07 0.00 -1.18 0.00 0.00 61.69 60.51 1ya8 s THR 167 Cb -0.13 -3.08 -0.04 0.00 1.34 0.00 0.00 72.50 70.59 1ya8 s THR 167 CO -0.12 0.37 0.03 0.27 -0.54 0.00 0.00 174.62 174.63 1ya8 s ILE 168 N 1.24 3.85 0.17 2.99 -4.36 -1.07 -0.21 121.20 123.80 1ya8 s ILE 168 Ca 0.05 -1.45 0.10 0.00 -0.26 0.00 0.00 60.65 59.09 1ya8 s ILE 168 Cb -0.14 -2.97 -0.04 0.00 1.25 0.00 0.00 42.46 40.55 1ya8 s ILE 168 CO 0.04 -0.17 -0.18 -1.10 0.24 0.00 0.00 174.94 173.76 1ya8 s GLN 169 N -3.16 1.75 0.06 0.37 -0.21 -0.83 -4.49 119.66 113.16 1ya8 s GLN 169 Ca 0.29 -1.35 -0.09 0.00 0.02 0.00 0.00 55.36 54.23 1ya8 s GLN 169 Cb -0.09 -2.01 -0.00 0.00 1.00 0.00 0.00 33.01 31.91 1ya8 s GLN 169 CO 0.20 0.43 0.18 1.52 -2.12 0.00 0.00 175.29 175.50 1ya8 s TYR 170 N -1.53 0.11 0.23 0.91 1.13 -1.26 -4.57 117.35 112.37 1ya8 s TYR 170 Ca 0.21 -0.41 -0.32 0.00 -1.41 0.00 0.00 57.07 55.14 1ya8 s TYR 170 Cb -0.09 -0.06 -0.12 0.00 -1.10 0.00 0.00 41.96 40.59 1ya8 s TYR 170 CO 0.11 -0.46 1.66 0.54 -2.51 0.00 0.00 175.55 174.89 1ya8 n ARG 171 N 0.42 2.65 -4.03 -3.49 1.74 -1.26 -4.83 116.66 107.86 1ya8 n ARG 171 Ca -0.17 0.95 -0.24 0.00 -0.77 0.00 0.00 57.85 57.62 1ya8 n ARG 171 Cb 0.60 -2.76 -0.06 0.00 -1.02 0.00 0.00 32.46 29.21 1ya8 n ARG 171 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1ya8 s LEU 172 N 0.63 3.15 0.00 0.55 1.43 -1.26 -4.15 118.68 119.03 1ya8 s LEU 172 Ca 0.72 -1.03 0.00 0.00 -1.03 0.00 0.00 54.13 52.79 1ya8 s LEU 172 Cb -0.53 -1.53 0.00 0.00 0.03 0.00 0.00 46.19 44.16 1ya8 s LEU 172 CO 0.38 -0.58 0.00 0.61 0.23 0.00 0.00 176.35 176.99 1ya8 n GLY 173 N -1.30 2.23 0.22 -3.19 0.00 0.48 -2.24 105.19 101.38 1ya8 n GLY 173 Ca -0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 46.02 45.73 1ya8 n GLY 173 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1ya8 h ILE 174 N 0.00 0.85 -0.50 -0.61 2.04 -1.94 -0.86 117.51 116.50 1ya8 h ILE 174 Ca 0.00 -0.15 0.13 0.00 1.00 0.00 0.00 64.86 65.84 1ya8 h ILE 174 Cb 0.00 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 36.44 1ya8 h ILE 174 CO 0.00 0.08 0.35 -0.50 0.00 0.00 0.00 178.15 178.08 1ya8 h TRP 175 N 0.43 0.11 -0.00 1.37 6.55 -1.86 -2.05 115.95 120.50 1ya8 h TRP 175 Ca 0.26 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.11 1ya8 h TRP 175 Cb 0.26 -0.04 0.00 0.00 -0.86 0.00 0.00 29.16 28.53 1ya8 h TRP 175 CO -0.14 0.05 -0.25 0.41 -1.05 0.00 0.00 178.44 177.46 1ya8 n GLY 176 N -1.60 0.09 0.00 1.49 0.00 -0.90 -4.44 105.19 99.84 1ya8 n GLY 176 Ca 0.09 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1ya8 n GLY 176 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ya8 n PHE 177 N -0.77 0.00 -1.85 1.61 3.72 -0.38 -0.02 117.46 119.77 1ya8 n PHE 177 Ca 0.02 -0.03 -0.42 0.00 -0.05 0.00 0.00 57.45 56.97 1ya8 n PHE 177 Cb 0.13 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.64 1ya8 n PHE 177 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 176.76 176.83 1ya8 s PHE 178 N -0.07 2.97 -0.05 1.38 2.19 -0.78 -4.52 117.98 119.11 1ya8 s PHE 178 Ca 0.00 0.57 -0.03 0.00 0.33 0.00 0.00 56.93 57.80 1ya8 s PHE 178 Cb 0.00 -4.01 0.02 0.00 -1.31 0.00 0.00 43.02 37.73 1ya8 s PHE 178 CO 0.00 -3.69 0.12 0.45 1.83 0.00 0.00 175.22 173.93 1ya8 s SER 179 N 1.03 -0.10 0.00 6.13 0.15 -1.26 -4.09 113.70 115.56 1ya8 s SER 179 Ca 0.70 0.23 0.26 0.00 0.70 0.00 0.00 55.95 57.85 1ya8 s SER 179 Cb -0.46 0.18 0.60 0.00 -1.71 0.00 0.00 66.02 64.63 1ya8 s SER 179 CO 0.34 -0.09 1.49 0.35 1.20 0.00 0.00 173.24 176.53 1ya8 n THR 180 N 3.60 0.00 -1.04 6.45 -2.24 -0.79 -4.47 114.28 115.79 1ya8 n THR 180 Ca -0.19 -0.35 -0.02 0.00 -2.27 0.00 0.00 64.05 61.22 1ya8 n THR 180 Cb 0.55 0.96 -0.01 0.00 -2.10 0.00 0.00 70.33 69.74 1ya8 n THR 180 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ya8 n GLY 181 N 1.27 0.47 1.18 3.38 0.00 -1.26 -4.34 105.19 105.89 1ya8 n GLY 181 Ca 0.16 -0.17 -0.07 0.00 0.00 0.00 0.00 46.02 45.94 1ya8 n GLY 181 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ya8 n ASP 182 N -0.03 -0.28 0.00 1.61 3.85 -1.26 -5.00 116.55 115.43 1ya8 n ASP 182 Ca -0.02 -1.79 0.06 0.00 -0.71 0.00 0.00 54.79 52.33 1ya8 n ASP 182 Cb 0.17 0.64 0.34 0.00 -1.35 0.00 0.00 41.12 40.92 1ya8 n ASP 182 CO 0.00 0.00 0.00 -1.84 -1.01 0.00 0.00 177.20 174.35 1ya8 n GLU 183 N -0.23 0.25 0.12 0.11 0.00 -1.26 -2.10 120.64 117.52 1ya8 n GLU 183 Ca 0.03 0.11 0.12 0.00 0.00 0.00 0.00 57.16 57.42 1ya8 n GLU 183 Cb 0.22 -1.50 0.15 0.00 0.00 0.00 0.00 31.44 30.31 1ya8 n GLU 183 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1ya8 h HIS 184 N 0.00 0.00 0.00 -1.84 3.86 -1.96 -3.41 115.15 111.80 1ya8 h HIS 184 Ca 0.00 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.09 1ya8 h HIS 184 Cb 0.08 0.00 -0.13 0.00 1.06 0.00 0.00 27.41 28.42 1ya8 h HIS 184 CO 0.00 0.00 -0.18 0.45 0.86 0.00 0.00 177.93 179.06 1ya8 n SER 185 N -2.54 -1.79 -0.27 2.45 2.88 -1.08 -4.97 113.62 108.29 1ya8 n SER 185 Ca 0.03 -2.31 0.06 0.00 -1.33 0.00 0.00 58.87 55.32 1ya8 n SER 185 Cb 0.49 1.13 0.16 0.00 -0.75 0.00 0.00 64.21 65.24 1ya8 n SER 185 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1ya8 h ARG 186 N 3.29 0.08 0.00 -1.46 3.08 -1.67 -2.10 114.38 115.60 1ya8 h ARG 186 Ca -0.21 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.83 1ya8 h ARG 186 Cb 1.15 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.19 1ya8 h ARG 186 CO -0.01 0.05 0.00 0.41 -1.07 0.00 0.00 179.97 179.35 1ya8 n GLY 187 N -1.44 -0.48 2.86 0.04 0.00 -1.26 -4.51 105.19 100.41 1ya8 n GLY 187 Ca 0.14 -2.19 -0.21 0.00 0.00 0.00 0.00 46.02 43.76 1ya8 n GLY 187 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ya8 n ASN 188 N 0.00 -5.49 -0.18 1.61 3.02 -1.24 -4.88 115.26 108.11 1ya8 n ASN 188 Ca 0.00 -0.19 -0.06 0.00 -0.03 0.00 0.00 54.58 54.30 1ya8 n ASN 188 Cb 0.00 -4.50 0.09 0.00 -0.61 0.00 0.00 39.78 34.77 1ya8 n ASN 188 CO 0.00 0.00 0.00 -0.50 -2.62 0.00 0.00 177.26 174.14 1ya8 h TRP 189 N -0.85 1.03 -0.34 3.10 4.06 -0.77 -1.31 115.95 120.87 1ya8 h TRP 189 Ca -0.48 -0.15 0.05 0.00 2.06 0.00 0.00 58.89 60.37 1ya8 h TRP 189 Cb 1.34 -0.28 -0.05 0.00 -1.00 0.00 0.00 29.16 29.17 1ya8 h TRP 189 CO 0.58 0.90 0.05 0.78 -3.56 0.00 0.00 178.44 177.19 1ya8 h GLY 190 N 1.01 0.38 1.63 1.49 0.00 -1.04 -0.62 103.07 105.92 1ya8 h GLY 190 Ca 0.18 -0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.44 1ya8 h GLY 190 CO 0.02 -0.04 -0.09 0.45 0.00 0.00 0.00 176.54 176.88 1ya8 h HIS 191 N 0.16 0.48 0.00 5.60 3.86 -1.72 -1.89 115.15 121.63 1ya8 h HIS 191 Ca 0.16 -0.06 -0.08 0.00 -1.16 0.00 0.00 60.37 59.24 1ya8 h HIS 191 Cb 0.19 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.52 1ya8 h HIS 191 CO -0.20 0.54 -0.36 -0.07 0.86 0.00 0.00 177.93 178.70 1ya8 h LEU 192 N 0.43 0.00 -0.69 2.43 3.38 -0.36 -2.08 115.31 118.42 1ya8 h LEU 192 Ca 0.08 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.93 1ya8 h LEU 192 Cb 0.42 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1ya8 h LEU 192 CO 0.02 0.36 -0.37 0.44 0.09 0.00 0.00 178.44 178.98 1ya8 h ASP 193 N 0.00 0.63 -0.26 -0.43 3.32 -0.33 -0.17 116.42 119.18 1ya8 h ASP 193 Ca -0.00 -0.27 -0.02 0.00 0.02 0.00 0.00 57.03 56.76 1ya8 h ASP 193 Cb 0.72 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 1ya8 h ASP 193 CO 0.05 0.94 0.08 1.56 -1.72 0.00 0.00 179.24 180.14 1ya8 h GLN 194 N 0.50 0.41 0.00 3.56 4.20 -1.05 0.20 115.11 122.93 1ya8 h GLN 194 Ca 0.05 -0.09 -0.05 0.00 0.06 0.00 0.00 58.65 58.62 1ya8 h GLN 194 Cb 0.86 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.58 1ya8 h GLN 194 CO 0.07 0.48 -0.25 0.28 -0.67 0.00 0.00 178.83 178.74 1ya8 h VAL 195 N 0.26 0.88 -0.05 -0.54 2.07 -1.29 -0.26 116.25 117.31 1ya8 h VAL 195 Ca 0.08 -0.98 -0.25 0.00 0.82 0.00 0.00 66.70 66.37 1ya8 h VAL 195 Cb 0.24 1.58 0.02 0.00 -1.52 0.00 0.00 31.29 31.61 1ya8 h VAL 195 CO -0.00 0.25 -0.94 0.00 0.02 0.00 0.00 177.57 176.89 1ya8 h ALA 196 N 1.75 0.22 -0.46 1.67 0.00 -0.45 -2.65 119.26 119.34 1ya8 h ALA 196 Ca -0.00 -0.67 -0.10 0.00 0.00 0.00 0.00 54.91 54.14 1ya8 h ALA 196 Cb 0.56 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1ya8 h ALA 196 CO 0.03 0.70 -0.13 0.00 0.00 0.00 0.00 179.25 179.85 1ya8 h ALA 197 N 0.50 0.91 -0.76 0.00 0.00 -0.10 -2.72 119.26 117.08 1ya8 h ALA 197 Ca -0.10 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.43 1ya8 h ALA 197 Cb 1.58 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 19.16 1ya8 h ALA 197 CO 0.19 0.63 0.32 -0.07 0.00 0.00 0.00 179.25 180.31 1ya8 h LEU 198 N 0.76 1.02 -0.79 0.00 3.38 -1.01 -2.23 115.31 116.45 1ya8 h LEU 198 Ca 0.12 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 1ya8 h LEU 198 Cb 0.64 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 1ya8 h LEU 198 CO 0.04 0.90 0.23 0.03 0.09 0.00 0.00 178.44 179.73 1ya8 h ARG 199 N 1.10 1.14 -0.93 1.13 3.08 -1.28 -1.49 114.38 117.13 1ya8 h ARG 199 Ca 0.26 -0.24 0.05 0.00 0.07 0.00 0.00 59.98 60.12 1ya8 h ARG 199 Cb 0.18 -0.17 -0.06 0.00 0.08 0.00 0.00 29.97 30.00 1ya8 h ARG 199 CO -0.02 0.97 0.60 2.35 -1.07 0.00 0.00 179.97 182.79 1ya8 h TRP 200 N 1.09 1.11 -0.05 3.04 7.01 -1.15 -0.53 115.95 126.47 1ya8 h TRP 200 Ca 0.24 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.27 1ya8 h TRP 200 Cb 0.30 -0.36 -0.00 0.00 -2.10 0.00 0.00 29.16 26.99 1ya8 h TRP 200 CO 0.02 0.60 0.03 0.28 -2.79 0.00 0.00 178.44 176.59 1ya8 h VAL 201 N 1.11 1.02 -0.69 2.65 2.07 -0.83 0.03 116.25 121.61 1ya8 h VAL 201 Ca 0.39 -0.04 0.05 0.00 0.82 0.00 0.00 66.70 67.92 1ya8 h VAL 201 Cb 0.10 0.95 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 1ya8 h VAL 201 CO -0.15 0.02 0.46 1.56 0.02 0.00 0.00 177.57 179.47 1ya8 h GLN 202 N 0.06 0.74 0.00 1.57 1.08 -0.26 -0.24 115.11 118.07 1ya8 h GLN 202 Ca 0.02 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 1ya8 h GLN 202 Cb -0.00 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.26 1ya8 h GLN 202 CO -0.00 0.49 -0.76 -0.25 -0.95 0.00 0.00 178.83 177.36 1ya8 n ASP 203 N -4.47 0.66 0.00 1.46 8.00 -0.31 -4.69 116.55 117.20 1ya8 n ASP 203 Ca 0.09 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.60 1ya8 n ASP 203 Cb 0.19 0.37 0.00 0.00 -0.02 0.00 0.00 41.12 41.66 1ya8 n ASP 203 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1ya8 n ASN 204 N -2.05 3.07 -0.17 -2.24 3.02 -0.03 -4.81 115.26 112.05 1ya8 n ASN 204 Ca 0.03 0.00 0.27 0.00 -0.03 0.00 0.00 54.58 54.85 1ya8 n ASN 204 Cb 0.44 0.12 0.48 0.00 -0.61 0.00 0.00 39.78 40.20 1ya8 n ASN 204 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1ya8 h ILE 205 N 0.00 0.05 0.00 2.41 6.09 -1.19 0.45 117.51 125.31 1ya8 h ILE 205 Ca 0.00 0.00 -0.02 0.00 -1.37 0.00 0.00 64.86 63.47 1ya8 h ILE 205 Cb 0.71 0.09 -0.00 0.00 0.47 0.00 0.00 36.82 38.09 1ya8 h ILE 205 CO 0.00 0.00 -0.08 0.00 -3.07 0.00 0.00 178.15 175.00 1ya8 h ALA 206 N 0.66 1.27 0.00 0.18 0.00 -1.79 -0.12 119.26 119.46 1ya8 h ALA 206 Ca 0.45 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1ya8 h ALA 206 Cb 2.67 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 20.45 1ya8 h ALA 206 CO -0.00 0.10 0.00 0.43 0.00 0.00 0.00 179.25 179.78 1ya8 n SER 207 N -3.58 0.00 -0.68 0.00 7.64 0.16 -2.83 113.62 114.33 1ya8 n SER 207 Ca -0.02 0.50 0.07 0.00 1.01 0.00 0.00 58.87 60.42 1ya8 n SER 207 Cb 0.20 -0.50 0.19 0.00 -1.01 0.00 0.00 64.21 63.09 1ya8 n SER 207 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1ya8 n PHE 208 N -1.50 0.62 -0.66 1.43 3.01 -0.21 -4.79 117.46 115.36 1ya8 n PHE 208 Ca 0.06 -0.67 0.00 0.00 1.01 0.00 0.00 57.45 57.85 1ya8 n PHE 208 Cb 0.30 -0.15 0.00 0.00 -0.01 0.00 0.00 39.48 39.62 1ya8 n PHE 208 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ya8 n GLY 209 N -0.04 0.66 3.95 1.37 0.00 -1.13 -4.69 105.19 105.31 1ya8 n GLY 209 Ca 0.15 -0.08 -0.23 0.00 0.00 0.00 0.00 46.02 45.86 1ya8 n GLY 209 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ya8 s GLY 210 N -2.07 1.55 -0.41 -0.02 0.00 -0.32 -0.31 107.32 105.75 1ya8 s GLY 210 Ca 0.00 -1.01 -0.05 0.00 0.00 0.00 0.00 44.72 43.66 1ya8 s GLY 210 CO 0.00 -0.84 0.21 0.21 0.00 0.00 0.00 173.10 172.68 1ya8 s ASN 211 N -4.21 5.35 0.09 1.64 2.47 -0.25 -3.86 114.94 116.17 1ya8 s ASN 211 Ca 0.48 -1.83 0.05 0.00 0.42 0.00 0.00 52.86 51.98 1ya8 s ASN 211 Cb -0.10 -1.87 0.28 0.00 -1.45 0.00 0.00 41.25 38.11 1ya8 s ASN 211 CO 0.38 -0.53 1.10 -0.81 -3.72 0.00 0.00 177.10 173.52 1ya8 n PRO 212 N 4.70 0.03 0.00 0.43 -0.04 -1.26 -0.18 135.00 138.68 1ya8 n PRO 212 Ca -0.06 0.48 0.13 0.00 -0.04 0.00 0.00 63.50 64.02 1ya8 n PRO 212 Cb 0.42 -1.69 0.35 0.00 -0.04 0.00 0.00 33.50 32.54 1ya8 n PRO 212 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ya8 n GLY 213 N -1.39 -0.04 2.25 0.55 0.00 -1.26 -4.38 105.19 100.92 1ya8 n GLY 213 Ca -0.00 -0.49 -0.21 0.00 0.00 0.00 0.00 46.02 45.32 1ya8 n GLY 213 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ya8 n SER 214 N 0.07 1.01 -4.73 1.61 2.88 0.74 -4.93 113.62 110.28 1ya8 n SER 214 Ca 0.15 -2.98 -0.36 0.00 -1.33 0.00 0.00 58.87 54.35 1ya8 n SER 214 Cb 0.40 -0.62 -0.08 0.00 -0.75 0.00 0.00 64.21 63.16 1ya8 n SER 214 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1ya8 s VAL 215 N -2.19 5.35 -0.11 2.46 1.01 -1.26 -1.41 120.40 124.25 1ya8 s VAL 215 Ca 0.39 0.38 0.02 0.00 0.00 0.00 0.00 61.98 62.78 1ya8 s VAL 215 Cb 0.28 -3.56 -0.01 0.00 0.00 0.00 0.00 36.38 33.09 1ya8 s VAL 215 CO -0.09 0.41 -0.19 -0.89 0.00 0.00 0.00 175.10 174.34 1ya8 s THR 216 N 0.44 2.52 -0.20 3.92 2.01 0.71 0.54 115.64 125.58 1ya8 s THR 216 Ca 0.13 -0.86 -0.07 0.00 0.31 0.00 0.00 61.69 61.19 1ya8 s THR 216 Cb -0.12 -2.00 -0.04 0.00 0.01 0.00 0.00 72.50 70.35 1ya8 s THR 216 CO 0.01 0.55 0.07 0.27 -0.69 0.00 0.00 174.62 174.82 1ya8 s ILE 217 N 0.28 4.70 -0.04 1.82 -4.36 -0.51 -0.22 121.20 122.87 1ya8 s ILE 217 Ca -0.14 -0.06 -0.03 0.00 -0.26 0.00 0.00 60.65 60.16 1ya8 s ILE 217 Cb -0.17 -3.14 0.01 0.00 1.25 0.00 0.00 42.46 40.42 1ya8 s ILE 217 CO 0.07 0.43 0.10 0.72 0.24 0.00 0.00 174.94 176.50 1ya8 s PHE 218 N 0.65 -0.11 0.26 1.37 -0.71 -0.37 -0.54 117.98 118.53 1ya8 s PHE 218 Ca 0.03 0.28 -0.09 0.00 -1.04 0.00 0.00 56.93 56.12 1ya8 s PHE 218 Cb -0.13 0.01 -0.01 0.00 -1.21 0.00 0.00 43.02 41.68 1ya8 s PHE 218 CO 0.02 -0.07 0.41 0.20 -1.34 0.00 0.00 175.22 174.44 1ya8 s GLY 219 N 0.23 0.88 0.00 1.99 0.00 -1.02 -1.93 107.32 107.47 1ya8 s GLY 219 Ca -0.02 -1.15 0.07 0.00 0.00 0.00 0.00 44.72 43.62 1ya8 s GLY 219 CO -0.01 -0.84 -0.21 1.85 0.00 0.00 0.00 173.10 173.89 1ya8 s GLU 220 N -3.86 1.61 7.98 2.90 -6.30 -1.22 -1.32 118.70 118.49 1ya8 s GLU 220 Ca 0.27 -0.80 0.00 0.00 -2.50 0.00 0.00 54.97 51.94 1ya8 s GLU 220 Cb 0.01 -1.61 0.00 0.00 0.00 0.00 0.00 34.13 32.53 1ya8 s GLU 220 CO 0.12 0.43 0.00 0.45 0.02 0.00 0.00 175.26 176.28 1ya8 n SER 221 N 2.37 0.00 -0.01 -1.70 2.88 0.20 -0.76 113.62 116.60 1ya8 n SER 221 Ca -0.16 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.52 1ya8 n SER 221 Cb 0.53 0.00 0.58 0.00 -0.75 0.00 0.00 64.21 64.57 1ya8 n SER 221 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ya8 h ALA 222 N -1.00 2.15 -0.03 -1.46 0.00 -1.86 0.93 119.26 118.00 1ya8 h ALA 222 Ca 0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 1ya8 h ALA 222 Cb 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1ya8 h ALA 222 CO 0.00 -0.27 -0.59 0.78 0.00 0.00 0.00 179.25 179.17 1ya8 h GLY 223 N 0.23 0.11 0.95 0.00 0.00 -0.98 0.14 103.07 103.51 1ya8 h GLY 223 Ca 0.23 -0.13 -0.10 0.00 0.00 0.00 0.00 47.33 47.33 1ya8 h GLY 223 CO -0.04 0.12 -0.20 -1.33 0.00 0.00 0.00 176.54 175.09 1ya8 h GLY 224 N 1.65 0.74 1.02 4.60 0.00 0.74 -1.50 103.07 110.31 1ya8 h GLY 224 Ca -0.01 -0.70 -0.02 0.00 0.00 0.00 0.00 47.33 46.61 1ya8 h GLY 224 CO 0.08 0.63 0.41 -2.09 0.00 0.00 0.00 176.54 175.57 1ya8 h GLU 225 N 0.44 1.12 -0.22 4.80 4.22 0.01 -1.27 114.58 123.67 1ya8 h GLU 225 Ca 0.06 -0.15 0.01 0.00 0.08 0.00 0.00 59.36 59.37 1ya8 h GLU 225 Cb 0.74 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 1ya8 h GLU 225 CO 0.05 0.84 0.11 0.77 -2.18 0.00 0.00 179.01 178.61 1ya8 h SER 226 N 1.10 0.16 -0.60 1.04 0.02 -0.47 0.22 113.55 115.02 1ya8 h SER 226 Ca 0.27 0.01 0.01 0.00 -0.84 0.00 0.00 61.79 61.24 1ya8 h SER 226 Cb 0.07 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.56 1ya8 h SER 226 CO -0.04 0.12 0.40 0.58 -1.14 0.00 0.00 176.83 176.75 1ya8 h VAL 227 N 0.23 1.15 -0.52 2.27 2.07 -0.94 0.26 116.25 120.77 1ya8 h VAL 227 Ca 0.09 -0.28 -0.06 0.00 0.82 0.00 0.00 66.70 67.28 1ya8 h VAL 227 Cb 0.02 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.04 1ya8 h VAL 227 CO -0.06 0.15 0.11 -1.28 0.02 0.00 0.00 177.57 176.50 1ya8 h SER 228 N 0.81 0.81 -0.20 0.57 0.87 -0.23 -0.77 113.55 115.42 1ya8 h SER 228 Ca 0.22 -0.25 -0.04 0.00 -1.23 0.00 0.00 61.79 60.50 1ya8 h SER 228 Cb -0.09 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.65 1ya8 h SER 228 CO -0.05 0.85 -0.02 0.58 -0.53 0.00 0.00 176.83 177.66 1ya8 h VAL 229 N 0.74 1.27 -0.65 2.23 2.07 0.70 -3.08 116.25 119.52 1ya8 h VAL 229 Ca 0.16 -0.94 -0.01 0.00 0.82 0.00 0.00 66.70 66.73 1ya8 h VAL 229 Cb 0.37 1.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 1ya8 h VAL 229 CO 0.01 0.28 0.35 -0.07 0.02 0.00 0.00 177.57 178.16 1ya8 h LEU 230 N 0.11 0.80 -2.29 2.57 3.38 -0.41 0.43 115.31 119.90 1ya8 h LEU 230 Ca 0.05 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1ya8 h LEU 230 Cb 0.44 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1ya8 h LEU 230 CO 0.01 0.65 0.00 0.58 0.09 0.00 0.00 178.44 179.78 1ya8 h VAL 231 N 0.91 0.00 0.00 1.22 2.07 -1.06 -2.25 116.25 117.14 1ya8 h VAL 231 Ca 0.23 -0.14 -0.06 0.00 0.82 0.00 0.00 66.70 67.55 1ya8 h VAL 231 Cb 0.03 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1ya8 h VAL 231 CO -0.04 0.00 -2.03 0.18 0.02 0.00 0.00 177.57 175.70 1ya8 n LEU 232 N -2.93 0.00 -4.70 2.57 4.77 -0.04 -4.98 117.00 111.69 1ya8 n LEU 232 Ca -0.02 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.55 1ya8 n LEU 232 Cb 0.13 0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.27 1ya8 n LEU 232 CO 0.21 0.08 0.68 -0.55 -1.33 0.00 0.00 177.39 176.47 1ya8 s SER 233 N -4.61 7.21 0.61 -1.43 0.15 -0.15 -4.92 113.70 110.56 1ya8 s SER 233 Ca -0.08 1.48 0.41 0.00 0.70 0.00 0.00 55.95 58.46 1ya8 s SER 233 Cb 0.12 -2.53 2.16 0.00 -1.71 0.00 0.00 66.02 64.07 1ya8 s SER 233 CO 0.87 -0.34 2.25 -0.65 1.20 0.00 0.00 173.24 176.57 1ya8 h PRO 234 N 6.99 0.00 0.00 5.44 0.11 -1.85 -0.69 132.00 142.00 1ya8 h PRO 234 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1ya8 h PRO 234 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1ya8 h PRO 234 CO 0.80 0.00 0.00 -0.07 -0.21 0.00 0.00 178.00 178.52 1ya8 h LEU 235 N 0.00 0.00 0.00 2.35 3.38 -1.83 -3.21 115.31 116.00 1ya8 h LEU 235 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1ya8 h LEU 235 Cb 0.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1ya8 h LEU 235 CO 0.00 0.00 -1.89 0.00 0.09 0.00 0.00 178.44 176.64 1ya8 n ALA 236 N -2.01 2.66 -1.22 1.53 0.00 -0.28 -4.94 120.51 116.25 1ya8 n ALA 236 Ca 0.03 -0.54 -0.47 0.00 0.00 0.00 0.00 53.44 52.45 1ya8 n ALA 236 Cb 0.42 -0.76 -0.07 0.00 0.00 0.00 0.00 19.45 19.04 1ya8 n ALA 236 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1ya8 n LYS 237 N -2.36 0.00 -1.00 0.00 4.81 -1.16 0.90 118.16 119.34 1ya8 n LYS 237 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.38 1ya8 n LYS 237 Cb 0.62 -1.08 0.00 0.00 0.02 0.00 0.00 35.03 34.59 1ya8 n LYS 237 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1ya8 n ASN 238 N 2.49 -3.11 0.01 3.14 3.02 -1.26 -4.89 115.26 114.66 1ya8 n ASN 238 Ca 0.21 0.00 0.11 0.00 -0.03 0.00 0.00 54.58 54.86 1ya8 n ASN 238 Cb -0.02 -0.72 -0.08 0.00 -0.61 0.00 0.00 39.78 38.36 1ya8 n ASN 238 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1ya8 n LEU 239 N 0.00 0.53 -4.10 3.41 4.77 0.26 -4.98 117.00 116.90 1ya8 n LEU 239 Ca 0.00 -0.13 -0.11 0.00 -0.03 0.00 0.00 56.01 55.74 1ya8 n LEU 239 Cb 0.04 -0.04 -0.08 0.00 -2.33 0.00 0.00 43.42 41.01 1ya8 n LEU 239 CO 0.00 0.08 -0.09 0.72 -1.33 0.00 0.00 177.39 176.76 1ya8 s PHE 240 N -3.25 0.78 0.00 -1.77 -0.71 -1.26 -4.87 117.98 106.90 1ya8 s PHE 240 Ca 0.01 -1.08 0.00 0.00 -1.04 0.00 0.00 56.93 54.82 1ya8 s PHE 240 Cb 0.15 -0.26 0.00 0.00 -1.21 0.00 0.00 43.02 41.69 1ya8 s PHE 240 CO 0.85 -0.74 0.00 0.72 -1.34 0.00 0.00 175.22 174.71 1ya8 n HIS 241 N -0.27 0.00 -3.69 3.49 8.25 0.19 -4.93 115.22 118.26 1ya8 n HIS 241 Ca -0.01 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.31 1ya8 n HIS 241 Cb 0.64 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.68 1ya8 n HIS 241 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1ya8 s ARG 242 N -0.94 0.83 0.01 -0.41 0.52 -1.19 -4.02 118.95 113.75 1ya8 s ARG 242 Ca 0.00 -0.21 -0.00 0.00 -0.52 0.00 0.00 55.73 55.00 1ya8 s ARG 242 Cb 0.00 0.37 -0.01 0.00 0.52 0.00 0.00 34.95 35.84 1ya8 s ARG 242 CO 0.00 -0.26 -0.01 0.00 0.02 0.00 0.00 175.30 175.05 1ya8 s ALA 243 N -1.83 0.04 -0.09 2.13 0.00 -0.85 -1.42 121.76 119.74 1ya8 s ALA 243 Ca -0.09 -0.24 0.01 0.00 0.00 0.00 0.00 51.96 51.63 1ya8 s ALA 243 Cb -0.02 0.06 0.02 0.00 0.00 0.00 0.00 23.12 23.18 1ya8 s ALA 243 CO 0.02 -0.07 -0.09 0.42 0.00 0.00 0.00 175.76 176.04 1ya8 s ILE 244 N -0.62 1.02 -0.31 0.00 1.01 0.30 -0.63 121.20 121.98 1ya8 s ILE 244 Ca -0.07 -0.33 -0.05 0.00 0.00 0.00 0.00 60.65 60.20 1ya8 s ILE 244 Cb -0.04 -1.01 0.04 0.00 0.01 0.00 0.00 42.46 41.46 1ya8 s ILE 244 CO -0.00 0.35 0.06 -0.44 0.00 0.00 0.00 174.94 174.91 1ya8 s SER 245 N 1.33 5.08 -0.41 3.58 0.01 0.01 -2.43 113.70 120.87 1ya8 s SER 245 Ca -0.02 -1.12 -0.15 0.00 1.31 0.00 0.00 55.95 55.97 1ya8 s SER 245 Cb -0.14 -1.80 0.02 0.00 0.21 0.00 0.00 66.02 64.31 1ya8 s SER 245 CO -0.04 -0.28 0.32 -1.61 0.41 0.00 0.00 173.24 172.05 1ya8 s GLU 246 N 1.36 2.99 -1.04 12.44 2.02 -0.44 -2.23 118.70 133.81 1ya8 s GLU 246 Ca -0.02 -0.98 -0.14 0.00 0.02 0.00 0.00 54.97 53.85 1ya8 s GLU 246 Cb -0.19 -3.98 -0.02 0.00 0.10 0.00 0.00 34.13 30.05 1ya8 s GLU 246 CO 0.01 -0.76 0.78 0.43 0.02 0.00 0.00 175.26 175.74 1ya8 n SER 247 N 5.23 -5.83 0.00 -0.19 7.64 0.02 -0.63 113.62 119.86 1ya8 n SER 247 Ca -0.10 -0.84 0.00 0.00 1.01 0.00 0.00 58.87 58.94 1ya8 n SER 247 Cb 0.47 -3.73 0.00 0.00 -1.01 0.00 0.00 64.21 59.94 1ya8 n SER 247 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ya8 n GLY 248 N -1.63 2.62 2.10 0.23 0.00 -1.26 -2.43 105.19 104.82 1ya8 n GLY 248 Ca -0.10 0.20 -0.14 0.00 0.00 0.00 0.00 46.02 45.98 1ya8 n GLY 248 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1ya8 n VAL 249 N 0.00 0.00 0.06 1.61 0.24 -1.26 -3.12 118.33 115.85 1ya8 n VAL 249 Ca 0.00 -1.57 -0.04 0.00 -2.04 0.00 0.00 64.34 60.69 1ya8 n VAL 249 Cb 0.00 0.74 -0.09 0.00 -1.47 0.00 0.00 33.84 33.02 1ya8 n VAL 249 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ya8 h ALA 250 N 1.64 0.56 0.00 2.33 0.00 -1.88 -3.23 119.26 118.67 1ya8 h ALA 250 Ca -0.16 -0.92 0.00 0.00 0.00 0.00 0.00 54.91 53.83 1ya8 h ALA 250 Cb 0.78 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1ya8 h ALA 250 CO 0.25 1.13 0.00 1.28 0.00 0.00 0.00 179.25 181.91 1ya8 n LEU 251 N -3.19 0.00 -4.12 0.00 4.77 -1.26 -4.22 117.00 108.97 1ya8 n LEU 251 Ca -0.04 0.44 -0.37 0.00 -0.03 0.00 0.00 56.01 56.00 1ya8 n LEU 251 Cb 0.90 -0.44 -0.05 0.00 -2.33 0.00 0.00 43.42 41.51 1ya8 n LEU 251 CO 0.45 -0.28 1.92 0.41 -1.33 0.00 0.00 177.39 178.55 1ya8 n THR 252 N -1.44 2.28 -0.38 -5.08 -1.04 -1.22 -4.82 114.28 102.59 1ya8 n THR 252 Ca 0.03 -2.20 0.31 0.00 -2.04 0.00 0.00 64.05 60.15 1ya8 n THR 252 Cb 0.11 -2.29 0.52 0.00 -1.82 0.00 0.00 70.33 66.85 1ya8 n THR 252 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1ya8 n SER 253 N 10.13 0.14 -0.29 8.00 7.64 -1.26 -1.79 113.62 136.19 1ya8 n SER 253 Ca 0.48 1.02 0.12 0.00 1.01 0.00 0.00 58.87 61.50 1ya8 n SER 253 Cb 0.43 -0.50 0.28 0.00 -1.01 0.00 0.00 64.21 63.41 1ya8 n SER 253 CO 0.00 0.00 0.00 1.62 -3.01 0.00 0.00 175.04 173.65 1ya8 h VAL 254 N 0.00 0.45 0.00 0.44 3.04 -1.87 0.20 116.25 118.51 1ya8 h VAL 254 Ca 0.67 -0.12 0.00 0.00 -1.01 0.00 0.00 66.70 66.25 1ya8 h VAL 254 Cb 2.22 0.09 0.00 0.00 -2.01 0.00 0.00 31.29 31.58 1ya8 h VAL 254 CO -0.32 0.06 -0.40 0.18 -1.01 0.00 0.00 177.57 176.08 1ya8 n LEU 255 N -5.10 0.44 -4.29 3.16 4.77 -0.74 -4.76 117.00 110.48 1ya8 n LEU 255 Ca 0.20 0.17 -0.37 0.00 -0.03 0.00 0.00 56.01 55.99 1ya8 n LEU 255 Cb 0.62 -0.29 -0.13 0.00 -2.33 0.00 0.00 43.42 41.29 1ya8 n LEU 255 CO 0.11 0.05 -0.29 -0.69 -1.33 0.00 0.00 177.39 175.25 1ya8 s VAL 256 N -3.04 3.69 -0.98 4.08 1.01 0.06 -1.48 120.40 123.75 1ya8 s VAL 256 Ca 0.11 -0.96 -0.21 0.00 0.00 0.00 0.00 61.98 60.92 1ya8 s VAL 256 Cb 0.17 -2.99 0.09 0.00 0.00 0.00 0.00 36.38 33.65 1ya8 s VAL 256 CO 0.66 -0.03 1.28 -0.54 0.00 0.00 0.00 175.10 176.48 1ya8 s LYS 257 N 1.42 3.60 0.55 2.72 -0.14 0.30 -4.81 119.74 123.38 1ya8 s LYS 257 Ca -0.00 -1.48 -0.05 0.00 -1.36 0.00 0.00 55.97 53.08 1ya8 s LYS 257 Cb -0.18 -5.13 -0.01 0.00 -1.68 0.00 0.00 37.83 30.83 1ya8 s LYS 257 CO 0.02 -1.98 0.86 0.15 -0.76 0.00 0.00 175.35 173.63 1ya8 s LYS 258 N 3.74 3.13 0.07 1.68 1.02 -1.26 -4.51 119.74 123.61 1ya8 s LYS 258 Ca 0.39 0.05 0.00 0.00 0.02 0.00 0.00 55.97 56.43 1ya8 s LYS 258 Cb -0.02 -2.31 0.00 0.00 -0.52 0.00 0.00 37.83 34.97 1ya8 s LYS 258 CO -0.10 -0.52 0.00 0.41 -0.92 0.00 0.00 175.35 174.22 1ya8 n GLY 259 N -2.46 -2.92 3.63 -3.33 0.00 -1.26 -4.83 105.19 94.01 1ya8 n GLY 259 Ca 0.03 -1.74 -0.43 0.00 0.00 0.00 0.00 46.02 43.88 1ya8 n GLY 259 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ya8 s ASP 260 N -1.59 6.35 0.14 1.61 2.15 -1.26 -4.89 116.67 119.18 1ya8 s ASP 260 Ca 0.00 1.60 0.25 0.00 0.43 0.00 0.00 52.55 54.83 1ya8 s ASP 260 Cb 0.00 -2.53 0.44 0.00 -0.30 0.00 0.00 42.92 40.53 1ya8 s ASP 260 CO 0.00 -1.29 1.42 -0.37 -0.17 0.00 0.00 175.17 174.76 1ya8 h VAL 261 N 6.19 0.00 -0.80 1.11 -1.51 -1.90 -3.39 116.25 115.95 1ya8 h VAL 261 Ca -0.34 -0.50 0.18 0.00 -1.23 0.00 0.00 66.70 64.81 1ya8 h VAL 261 Cb 1.15 1.18 -0.14 0.00 -2.13 0.00 0.00 31.29 31.35 1ya8 h VAL 261 CO 1.00 0.00 -0.02 0.50 -1.23 0.00 0.00 177.57 177.82 1ya8 h LYS 262 N 0.00 0.07 -0.58 5.19 1.63 -1.81 -1.36 116.57 119.70 1ya8 h LYS 262 Ca 0.00 -0.00 0.07 0.00 -0.85 0.00 0.00 60.65 59.86 1ya8 h LYS 262 Cb 0.75 -0.02 -0.06 0.00 -0.60 0.00 0.00 32.23 32.31 1ya8 h LYS 262 CO 0.00 0.05 0.28 -1.35 -3.45 0.00 0.00 179.45 174.97 1ya8 h PRO 263 N 0.08 0.50 -0.36 1.90 0.11 -1.95 -1.33 132.00 130.95 1ya8 h PRO 263 Ca 0.43 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 66.47 1ya8 h PRO 263 Cb 0.77 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.75 1ya8 h PRO 263 CO -0.73 0.33 0.03 1.25 -0.21 0.00 0.00 178.00 178.67 1ya8 h LEU 264 N 0.51 0.51 -0.12 2.35 7.12 -1.55 -1.94 115.31 122.19 1ya8 h LEU 264 Ca 0.27 -0.09 -0.01 0.00 0.13 0.00 0.00 57.88 58.19 1ya8 h LEU 264 Cb 0.24 -0.13 -0.01 0.00 -0.53 0.00 0.00 40.66 40.23 1ya8 h LEU 264 CO -0.22 0.56 0.05 0.00 -0.13 0.00 0.00 178.44 178.71 1ya8 h ALA 265 N 1.51 0.15 -0.79 1.25 0.00 -0.85 -2.29 119.26 118.24 1ya8 h ALA 265 Ca 0.12 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1ya8 h ALA 265 Cb 0.30 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1ya8 h ALA 265 CO 0.01 -0.27 0.43 0.93 0.00 0.00 0.00 179.25 180.34 1ya8 h GLU 266 N 0.05 1.10 -0.32 0.00 5.08 -1.08 -1.22 114.58 118.19 1ya8 h GLU 266 Ca 0.04 -0.13 0.04 0.00 -1.00 0.00 0.00 59.36 58.31 1ya8 h GLU 266 Cb 0.14 -0.22 -0.04 0.00 0.50 0.00 0.00 28.75 29.14 1ya8 h GLU 266 CO -0.00 0.81 0.10 0.37 -1.00 0.00 0.00 179.01 179.29 1ya8 h GLN 267 N 1.11 0.23 -0.50 2.33 4.15 -1.04 -0.91 115.11 120.48 1ya8 h GLN 267 Ca 0.28 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.68 1ya8 h GLN 267 Cb 0.04 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.65 1ya8 h GLN 267 CO -0.04 0.15 0.27 0.82 -1.93 0.00 0.00 178.83 178.10 1ya8 h ILE 268 N 0.24 1.17 -0.15 2.39 2.04 -0.87 -2.16 117.51 120.17 1ya8 h ILE 268 Ca 0.14 -0.43 0.04 0.00 1.00 0.00 0.00 64.86 65.61 1ya8 h ILE 268 Cb 0.12 0.55 -0.04 0.00 -0.74 0.00 0.00 36.82 36.71 1ya8 h ILE 268 CO -0.15 0.18 -0.09 0.00 0.00 0.00 0.00 178.15 178.09 1ya8 h ALA 269 N 1.12 0.04 -0.72 1.87 0.00 -0.73 -1.44 119.26 119.39 1ya8 h ALA 269 Ca 0.18 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.15 1ya8 h ALA 269 Cb 0.05 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1ya8 h ALA 269 CO -0.03 -0.53 0.47 0.82 0.00 0.00 0.00 179.25 179.98 1ya8 h ILE 270 N -0.08 1.19 -0.58 0.00 2.04 -1.01 0.54 117.51 119.60 1ya8 h ILE 270 Ca 0.09 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.60 1ya8 h ILE 270 Cb 0.21 0.14 -0.03 0.00 -0.74 0.00 0.00 36.82 36.41 1ya8 h ILE 270 CO -0.20 0.18 0.38 0.74 0.00 0.00 0.00 178.15 179.25 1ya8 h THR 271 N 0.97 1.15 0.00 -0.27 2.02 -1.02 0.93 112.91 116.69 1ya8 h THR 271 Ca 0.26 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 67.15 1ya8 h THR 271 Cb -0.10 0.31 0.00 0.00 -1.74 0.00 0.00 68.15 66.61 1ya8 h THR 271 CO -0.06 0.15 -0.11 0.00 0.37 0.00 0.00 175.52 175.87 1ya8 n ALA 272 N -2.45 2.60 -1.18 6.16 0.00 -0.58 -4.93 120.51 120.12 1ya8 n ALA 272 Ca 0.06 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1ya8 n ALA 272 Cb 0.05 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.11 1ya8 n ALA 272 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ya8 n GLY 273 N 1.50 0.47 3.19 0.00 0.00 0.32 -5.08 105.19 105.59 1ya8 n GLY 273 Ca 0.07 -0.29 -0.19 0.00 0.00 0.00 0.00 46.02 45.60 1ya8 n GLY 273 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ya8 s LYS 275 N -1.70 2.66 -0.20 0.00 1.02 -1.26 -3.99 119.74 116.27 1ya8 s LYS 275 Ca -0.00 1.43 0.13 0.00 0.02 0.00 0.00 55.97 57.55 1ya8 s LYS 275 Cb -0.10 -1.93 0.40 0.00 -0.52 0.00 0.00 37.83 35.69 1ya8 s LYS 275 CO 0.02 -1.37 1.25 0.25 -0.92 0.00 0.00 175.35 174.58 1ya8 n THR 276 N -2.54 2.18 -0.23 2.17 -2.24 -1.26 -4.28 114.28 108.08 1ya8 n THR 276 Ca 0.11 -2.85 -0.05 0.00 -2.27 0.00 0.00 64.05 58.99 1ya8 n THR 276 Cb 0.52 -0.25 0.01 0.00 -2.10 0.00 0.00 70.33 68.50 1ya8 n THR 276 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1ya8 h THR 277 N 0.77 0.15 -3.86 4.28 2.02 -1.96 -3.44 112.91 110.88 1ya8 h THR 277 Ca 0.03 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.12 1ya8 h THR 277 Cb 1.11 0.15 -0.14 0.00 -1.74 0.00 0.00 68.15 67.53 1ya8 h THR 277 CO 0.06 0.00 -0.38 0.42 0.37 0.00 0.00 175.52 175.99 1ya8 s THR 278 N -5.98 0.13 0.11 3.16 -4.23 -1.26 -5.04 115.64 102.53 1ya8 s THR 278 Ca -0.14 -1.26 -0.32 0.00 -1.18 0.00 0.00 61.69 58.79 1ya8 s THR 278 Cb 0.16 -1.46 -0.11 0.00 1.34 0.00 0.00 72.50 72.44 1ya8 s THR 278 CO 0.69 -0.60 1.59 0.28 -0.54 0.00 0.00 174.62 176.04 1ya8 h SER 279 N 2.73 -1.21 -1.15 3.99 0.02 -1.97 -1.42 113.55 114.53 1ya8 h SER 279 Ca -0.34 0.13 0.33 0.00 -0.84 0.00 0.00 61.79 61.08 1ya8 h SER 279 Cb 1.20 0.44 -0.05 0.00 0.14 0.00 0.00 62.40 64.14 1ya8 h SER 279 CO 0.55 -0.51 0.86 0.00 -1.14 0.00 0.00 176.83 176.60 1ya8 h ALA 280 N -0.26 3.08 0.12 3.77 0.00 -1.97 0.39 119.26 124.39 1ya8 h ALA 280 Ca 0.01 -0.04 -0.29 0.00 0.00 0.00 0.00 54.91 54.58 1ya8 h ALA 280 Cb 0.70 0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.60 1ya8 h ALA 280 CO -0.20 -1.46 -1.24 0.28 0.00 0.00 0.00 179.25 176.64 1ya8 h VAL 281 N 0.00 1.32 0.27 0.00 2.07 -1.65 -2.42 116.25 115.84 1ya8 h VAL 281 Ca 0.55 -2.55 -0.01 0.00 0.82 0.00 0.00 66.70 65.50 1ya8 h VAL 281 Cb 2.27 2.72 0.00 0.00 -1.52 0.00 0.00 31.29 34.76 1ya8 h VAL 281 CO -0.01 0.77 -0.13 0.24 0.02 0.00 0.00 177.57 178.46 1ya8 h MET 282 N 0.24 -0.35 -0.24 1.57 0.00 0.33 -1.36 114.93 115.12 1ya8 h MET 282 Ca -0.18 0.02 0.04 0.00 0.00 0.00 0.00 59.70 59.59 1ya8 h MET 282 Cb 1.91 0.08 -0.04 0.00 0.00 0.00 0.00 31.60 33.55 1ya8 h MET 282 CO 0.23 -0.18 -0.03 0.28 0.00 0.00 0.00 176.91 177.21 1ya8 h VAL 283 N -0.44 0.80 -0.87 -2.22 2.07 -1.34 0.35 116.25 114.60 1ya8 h VAL 283 Ca -0.04 -0.01 0.10 0.00 0.82 0.00 0.00 66.70 67.57 1ya8 h VAL 283 Cb 0.33 0.76 -0.08 0.00 -1.52 0.00 0.00 31.29 30.78 1ya8 h VAL 283 CO 0.06 0.01 0.51 -0.74 0.02 0.00 0.00 177.57 177.42 1ya8 h HIS 284 N 0.03 0.92 -0.41 1.57 -0.00 -1.31 -0.54 115.15 115.40 1ya8 h HIS 284 Ca 0.11 0.03 -0.11 0.00 -0.00 0.00 0.00 60.37 60.40 1ya8 h HIS 284 Cb 0.16 -0.28 -0.01 0.00 -0.00 0.00 0.00 27.41 27.28 1ya8 h HIS 284 CO -0.22 0.36 -0.19 0.00 -0.00 0.00 0.00 177.93 177.89 1ya8 h LEU 286 N 0.67 0.00 -1.39 0.00 3.38 -0.35 -1.51 115.31 116.11 1ya8 h LEU 286 Ca 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1ya8 h LEU 286 Cb 0.75 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.50 1ya8 h LEU 286 CO 0.06 0.34 -0.03 0.03 0.09 0.00 0.00 178.44 178.92 1ya8 h ARG 287 N 0.00 0.00 0.00 1.13 3.08 -0.90 -2.93 114.38 114.76 1ya8 h ARG 287 Ca -0.00 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.87 1ya8 h ARG 287 Cb 0.65 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.68 1ya8 h ARG 287 CO 0.04 0.03 -0.84 1.96 -1.07 0.00 0.00 179.97 180.09 1ya8 h GLN 288 N 0.00 0.00 -7.27 0.04 1.08 -1.08 -3.47 115.11 104.41 1ya8 h GLN 288 Ca -0.00 0.00 -0.51 0.00 -1.45 0.00 0.00 58.65 56.69 1ya8 h GLN 288 Cb 0.55 0.00 0.13 0.00 -0.05 0.00 0.00 27.48 28.11 1ya8 h GLN 288 CO 0.00 0.84 0.33 0.15 -0.95 0.00 0.00 178.83 179.21 1ya8 s LYS 289 N -2.88 2.28 0.43 1.46 -0.14 -1.11 -5.04 119.74 114.74 1ya8 s LYS 289 Ca 0.01 1.29 -0.01 0.00 -1.36 0.00 0.00 55.97 55.90 1ya8 s LYS 289 Cb 0.10 -1.89 -0.02 0.00 -1.68 0.00 0.00 37.83 34.34 1ya8 s LYS 289 CO 0.80 -1.64 0.67 0.95 -0.76 0.00 0.00 175.35 175.36 1ya8 s THR 290 N -2.70 4.53 0.18 2.17 -4.23 -1.26 -4.92 115.64 109.40 1ya8 s THR 290 Ca 0.64 -0.32 -0.18 0.00 -1.18 0.00 0.00 61.69 60.65 1ya8 s THR 290 Cb -0.19 -3.68 0.12 0.00 1.34 0.00 0.00 72.50 70.09 1ya8 s THR 290 CO 0.52 -0.52 1.63 -0.08 -0.54 0.00 0.00 174.62 175.63 1ya8 h GLU 291 N 0.44 -0.09 -0.91 3.99 4.81 -1.98 0.40 114.58 121.23 1ya8 h GLU 291 Ca -0.47 0.01 0.12 0.00 -0.13 0.00 0.00 59.36 58.88 1ya8 h GLU 291 Cb 1.23 0.02 -0.07 0.00 0.63 0.00 0.00 28.75 30.56 1ya8 h GLU 291 CO 0.60 -0.06 0.59 1.49 -0.73 0.00 0.00 179.01 180.89 1ya8 h GLU 292 N -0.10 0.79 -0.40 1.92 4.57 -1.99 0.03 114.58 119.41 1ya8 h GLU 292 Ca 0.21 -0.05 -0.12 0.00 -1.18 0.00 0.00 59.36 58.22 1ya8 h GLU 292 Cb 0.43 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.83 1ya8 h GLU 292 CO -0.51 0.53 -0.23 0.93 -1.18 0.00 0.00 179.01 178.55 1ya8 h GLU 293 N 0.82 0.86 0.00 1.92 5.08 -1.34 -1.67 114.58 120.24 1ya8 h GLU 293 Ca 0.45 -0.39 -0.10 0.00 -1.00 0.00 0.00 59.36 58.32 1ya8 h GLU 293 Cb 0.57 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 1ya8 h GLU 293 CO -0.21 1.03 -0.46 -0.07 -1.00 0.00 0.00 179.01 178.30 1ya8 h LEU 294 N 0.67 0.00 -0.18 1.33 3.38 -0.44 -1.82 115.31 118.24 1ya8 h LEU 294 Ca 0.08 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.90 1ya8 h LEU 294 Cb 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.55 1ya8 h LEU 294 CO 0.07 0.46 -0.49 0.25 0.09 0.00 0.00 178.44 178.82 1ya8 h LEU 295 N 0.00 0.75 -0.54 1.67 5.85 -0.82 0.38 115.31 122.60 1ya8 h LEU 295 Ca -0.00 -0.58 -0.01 0.00 0.84 0.00 0.00 57.88 58.13 1ya8 h LEU 295 Cb 0.92 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.71 1ya8 h LEU 295 CO 0.06 1.19 0.31 -0.33 -0.34 0.00 0.00 178.44 179.33 1ya8 h GLU 296 N 0.34 0.74 -0.52 1.25 5.08 -1.19 0.10 114.58 120.39 1ya8 h GLU 296 Ca -0.01 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 1ya8 h GLU 296 Cb 1.11 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.18 1ya8 h GLU 296 CO 0.11 0.56 0.25 1.15 -1.00 0.00 0.00 179.01 180.08 1ya8 h THR 297 N 0.72 1.19 -0.76 1.13 2.02 -1.24 0.77 112.91 116.74 1ya8 h THR 297 Ca 0.19 -0.55 0.15 0.00 0.77 0.00 0.00 66.41 66.98 1ya8 h THR 297 Cb 0.03 0.60 -0.05 0.00 -1.74 0.00 0.00 68.15 66.98 1ya8 h THR 297 CO -0.03 0.22 0.51 0.74 0.37 0.00 0.00 175.52 177.33 1ya8 h THR 298 N 0.69 0.79 0.04 3.16 2.02 0.11 -1.99 112.91 117.73 1ya8 h THR 298 Ca 0.18 -0.14 -0.28 0.00 0.77 0.00 0.00 66.41 66.94 1ya8 h THR 298 Cb 0.11 0.33 -0.03 0.00 -1.74 0.00 0.00 68.15 66.83 1ya8 h THR 298 CO -0.02 0.08 -1.48 -0.07 0.37 0.00 0.00 175.52 174.39 1ya8 h LEU 299 N 0.42 0.15 -1.06 2.58 3.38 0.17 -3.31 115.31 117.64 1ya8 h LEU 299 Ca 0.38 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 1ya8 h LEU 299 Cb 0.86 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.54 1ya8 h LEU 299 CO -0.12 1.19 0.18 0.11 0.09 0.00 0.00 178.44 179.89 1ya8 h LYS 300 N 0.03 0.85 0.00 1.13 1.57 -0.24 -1.86 116.57 118.04 1ya8 h LYS 300 Ca -0.21 -0.15 -0.00 0.00 -1.87 0.00 0.00 60.65 58.42 1ya8 h LYS 300 Cb 1.95 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 34.12 1ya8 h LYS 300 CO 0.12 0.73 -0.02 0.52 -0.57 0.00 0.00 179.45 180.24 1ya8 h MET 301 N 0.83 0.00 -6.86 3.15 2.86 -1.47 -3.47 114.93 109.98 1ya8 h MET 301 Ca 0.19 0.00 -0.58 0.00 -2.06 0.00 0.00 59.70 57.25 1ya8 h MET 301 Cb 0.24 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.83 1ya8 h MET 301 CO -0.01 0.02 -0.98 1.63 1.06 0.00 0.00 176.91 178.63 1ya8 n LYS 302 N -3.23 -0.87 -0.00 1.72 5.02 -0.70 -4.87 118.16 115.23 1ya8 n LYS 302 Ca -0.02 0.15 -0.02 0.00 -2.02 0.00 0.00 58.31 56.40 1ya8 n LYS 302 Cb 0.15 -3.21 0.24 0.00 -0.02 0.00 0.00 35.03 32.19 1ya8 n LYS 302 CO 0.00 0.00 0.00 0.74 -0.52 0.00 0.00 177.40 177.62 1ya8 h PHE 303 N -2.24 0.57 0.00 2.13 0.05 -1.86 -3.22 116.94 112.37 1ya8 h PHE 303 Ca -0.69 -0.09 -0.07 0.00 3.82 0.00 0.00 57.97 60.95 1ya8 h PHE 303 Cb 1.40 -0.15 -0.01 0.00 2.00 0.00 0.00 35.95 39.18 1ya8 h PHE 303 CO 0.42 0.63 -0.44 -0.07 -0.18 0.00 0.00 178.31 178.67 1ya8 h LEU 304 N 0.49 0.00 -9.91 1.54 3.38 -1.93 -3.46 115.31 105.42 1ya8 h LEU 304 Ca 0.09 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.48 1ya8 h LEU 304 Cb 0.49 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 1ya8 h LEU 304 CO 0.03 0.30 -0.28 -0.55 0.09 0.00 0.00 178.44 178.03 1ya8 s SER 305 N -6.24 6.54 -0.13 -0.43 0.15 -1.22 -4.66 113.70 107.70 1ya8 s SER 305 Ca 0.04 0.67 -0.19 0.00 0.70 0.00 0.00 55.95 57.17 1ya8 s SER 305 Cb 0.07 -2.13 -0.04 0.00 -1.71 0.00 0.00 66.02 62.21 1ya8 s SER 305 CO 0.73 0.08 0.51 -0.22 1.20 0.00 0.00 173.24 175.53 1ya8 s LEU 306 N -2.45 4.25 -0.45 3.45 2.96 -1.25 -5.01 118.68 120.20 1ya8 s LEU 306 Ca 0.39 0.82 -0.27 0.00 -0.22 0.00 0.00 54.13 54.86 1ya8 s LEU 306 Cb -0.12 -2.73 0.03 0.00 0.50 0.00 0.00 46.19 43.86 1ya8 s LEU 306 CO 0.22 -0.05 0.99 -0.62 -1.32 0.00 0.00 176.35 175.58 1ya8 s ASP 307 N 0.75 6.58 0.02 3.68 3.68 -1.26 -4.95 116.67 125.17 1ya8 s ASP 307 Ca 0.27 0.33 -0.28 0.00 2.13 0.00 0.00 52.55 54.99 1ya8 s ASP 307 Cb -0.15 -2.48 -0.16 0.00 -1.45 0.00 0.00 42.92 38.67 1ya8 s ASP 307 CO 0.11 -1.07 1.20 -0.07 0.13 0.00 0.00 175.17 175.46 1ya8 h LEU 308 N 10.66 -0.82-10.66 -1.34 3.38 -1.96 -3.46 115.31 111.11 1ya8 h LEU 308 Ca -0.23 0.01 -0.44 0.00 0.09 0.00 0.00 57.88 57.31 1ya8 h LEU 308 Cb 1.07 0.21 0.16 0.00 0.09 0.00 0.00 40.66 42.20 1ya8 h LEU 308 CO 1.05 -0.46 0.33 0.00 0.09 0.00 0.00 178.44 179.45 1ya8 s GLN 309 N -4.90 0.25 0.58 1.13 -2.07 -1.26 -4.93 119.66 108.45 1ya8 s GLN 309 Ca -0.15 -0.21 0.00 0.00 -1.82 0.00 0.00 55.36 53.18 1ya8 s GLN 309 Cb 0.02 -1.78 0.00 0.00 -1.09 0.00 0.00 33.01 30.16 1ya8 s GLN 309 CO 0.46 -2.71 0.00 0.41 -1.32 0.00 0.00 175.29 172.13 1ya8 n GLY 310 N -2.78 -1.91 3.74 2.60 0.00 -1.26 -4.88 105.19 100.69 1ya8 n GLY 310 Ca 0.13 -1.70 -0.37 0.00 0.00 0.00 0.00 46.02 44.08 1ya8 n GLY 310 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ya8 s ASP 311 N -4.00 6.61 0.27 1.61 -1.08 -1.26 -4.98 116.67 113.84 1ya8 s ASP 311 Ca 0.00 0.72 0.00 0.00 -0.52 0.00 0.00 52.55 52.75 1ya8 s ASP 311 Cb 0.00 -2.24 0.59 0.00 -1.46 0.00 0.00 42.92 39.81 1ya8 s ASP 311 CO 0.00 0.09 1.74 -0.65 0.52 0.00 0.00 175.17 176.86 1ya8 h PRO 312 N 6.41 0.51 0.00 4.34 0.11 -1.90 0.12 132.00 141.60 1ya8 h PRO 312 Ca -0.43 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.57 1ya8 h PRO 312 Cb 1.18 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1ya8 h PRO 312 CO 0.73 0.34 -0.38 0.00 -0.21 0.00 0.00 178.00 178.48 1ya8 h ARG 313 N 0.53 0.00 0.00 1.05 3.08 -1.94 -3.36 114.38 113.74 1ya8 h ARG 313 Ca 0.49 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.48 1ya8 h ARG 313 Cb 0.79 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.83 1ya8 h ARG 313 CO -0.42 0.38 -0.37 0.93 -1.07 0.00 0.00 179.97 179.42 1ya8 h GLU 314 N 0.00 0.00 -1.75 0.04 5.08 -1.56 -3.46 114.58 112.92 1ya8 h GLU 314 Ca -0.00 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.18 1ya8 h GLU 314 Cb 1.17 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.39 1ya8 h GLU 314 CO 0.05 0.68 0.60 0.45 -1.00 0.00 0.00 179.01 179.79 1ya8 n SER 315 N -4.60 0.11 -2.91 1.42 2.88 0.29 -4.52 113.62 106.28 1ya8 n SER 315 Ca -0.13 0.07 -0.39 0.00 -1.33 0.00 0.00 58.87 57.09 1ya8 n SER 315 Cb 0.41 -0.32 -0.06 0.00 -0.75 0.00 0.00 64.21 63.49 1ya8 n SER 315 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ya8 n GLN 316 N 2.93 0.00 0.00 -1.46 10.64 -1.26 -4.94 117.38 123.29 1ya8 n GLN 316 Ca 0.23 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.40 1ya8 n GLN 316 Cb 0.01 -0.95 0.00 0.00 -0.86 0.00 0.00 30.24 28.44 1ya8 n GLN 316 CO 0.00 0.00 0.00 -2.30 -1.83 0.00 0.00 177.06 172.93 1ya8 n PRO 317 N 1.50 0.00 0.00 2.61 -0.02 -1.26 -5.00 135.00 132.82 1ya8 n PRO 317 Ca 0.15 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 1ya8 n PRO 317 Cb 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.50 1ya8 n PRO 317 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 1ya8 n LEU 318 N 0.00 0.00 -3.81 2.45 -0.00 -1.26 -4.88 117.00 109.50 1ya8 n LEU 318 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 55.88 1ya8 n LEU 318 Cb 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 43.28 1ya8 n LEU 318 CO 0.00 0.00 -0.25 -1.48 -0.00 0.00 0.00 177.39 175.66 1ya8 s LEU 319 N 0.00 1.33 0.00 1.47 2.34 -1.26 -5.06 118.68 117.50 1ya8 s LEU 319 Ca 0.00 0.22 0.00 0.00 0.06 0.00 0.00 54.13 54.41 1ya8 s LEU 319 Cb 0.00 0.32 0.00 0.00 -0.56 0.00 0.00 46.19 45.95 1ya8 s LEU 319 CO 0.00 -0.07 0.00 0.61 -1.06 0.00 0.00 176.35 175.83 1ya8 n GLY 320 N 3.44 3.43 3.71 -3.48 0.00 -1.26 -4.94 105.19 106.08 1ya8 n GLY 320 Ca -0.17 -0.34 -0.41 0.00 0.00 0.00 0.00 46.02 45.10 1ya8 n GLY 320 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ya8 n THR 321 N 0.00 2.54 -4.36 2.61 -1.04 -0.55 -4.74 114.28 108.75 1ya8 n THR 321 Ca 0.00 -0.50 -0.19 0.00 -2.04 0.00 0.00 64.05 61.32 1ya8 n THR 321 Cb 0.00 -1.59 -0.10 0.00 -1.82 0.00 0.00 70.33 66.82 1ya8 n THR 321 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 1ya8 s VAL 322 N -1.19 0.52 -0.90 12.58 -7.23 -1.26 -0.54 120.40 122.37 1ya8 s VAL 322 Ca 0.61 -2.00 -0.13 0.00 -1.81 0.00 0.00 61.98 58.65 1ya8 s VAL 322 Cb -0.51 -2.57 0.24 0.00 0.56 0.00 0.00 36.38 34.10 1ya8 s VAL 322 CO 0.58 0.00 0.86 -0.63 -0.31 0.00 0.00 175.10 175.60 1ya8 s ILE 323 N -3.60 5.72 -0.29 -0.62 -1.09 -1.26 -4.78 121.20 115.29 1ya8 s ILE 323 Ca 0.35 -2.73 0.27 0.00 -2.23 0.00 0.00 60.65 56.31 1ya8 s ILE 323 Cb 0.06 -4.51 0.35 0.00 -1.58 0.00 0.00 42.46 36.79 1ya8 s ILE 323 CO 0.16 -1.07 1.76 -2.24 -1.23 0.00 0.00 174.94 172.31 1ya8 h ASP 324 N 7.48 0.00 0.00 3.58 -0.00 -1.86 -3.47 116.42 122.14 1ya8 h ASP 324 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.16 1ya8 h ASP 324 Cb 1.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.33 1ya8 h ASP 324 CO 0.82 0.00 0.00 0.61 -0.00 0.00 0.00 179.24 180.67 1ya8 n GLY 325 N 0.71 0.41 1.55 7.15 0.00 0.57 -4.85 105.19 110.72 1ya8 n GLY 325 Ca 0.03 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.02 1ya8 n GLY 325 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ya8 n MET 326 N -2.96 0.00 0.09 1.61 2.81 -1.26 -4.81 117.12 112.60 1ya8 n MET 326 Ca 0.00 0.00 -0.16 0.00 -1.81 0.00 0.00 57.70 55.73 1ya8 n MET 326 Cb 0.00 -0.15 -0.14 0.00 -0.71 0.00 0.00 33.22 32.22 1ya8 n MET 326 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 1ya8 h LEU 327 N 0.00 0.41 -7.52 4.03 5.85 -1.95 -3.42 115.31 112.72 1ya8 h LEU 327 Ca 0.00 -0.47 -0.46 0.00 0.84 0.00 0.00 57.88 57.79 1ya8 h LEU 327 Cb 0.00 -0.13 -0.38 0.00 0.37 0.00 0.00 40.66 40.52 1ya8 h LEU 327 CO 0.00 1.38 -0.77 -0.76 -0.34 0.00 0.00 178.44 177.94 1ya8 s LEU 328 N -7.09 0.73 0.00 2.25 1.43 -1.26 -4.16 118.68 110.58 1ya8 s LEU 328 Ca -0.05 -0.16 0.29 0.00 -1.03 0.00 0.00 54.13 53.18 1ya8 s LEU 328 Cb 0.07 -0.53 1.24 0.00 0.03 0.00 0.00 46.19 47.00 1ya8 s LEU 328 CO 0.88 -0.18 1.89 0.18 0.23 0.00 0.00 176.35 179.34 1ya8 n LEU 329 N 5.10 0.22 -3.63 1.79 4.77 -1.26 -0.32 117.00 123.67 1ya8 n LEU 329 Ca -0.08 0.21 -0.02 0.00 -0.03 0.00 0.00 56.01 56.09 1ya8 n LEU 329 Cb 0.50 -0.30 -0.02 0.00 -2.33 0.00 0.00 43.42 41.27 1ya8 n LEU 329 CO 0.12 0.04 1.18 -1.59 -1.33 0.00 0.00 177.39 175.81 1ya8 s LYS 330 N -2.69 0.04 0.46 3.23 -2.85 -1.26 -4.80 119.74 111.87 1ya8 s LYS 330 Ca 0.23 -0.01 -0.21 0.00 -1.00 0.00 0.00 55.97 54.98 1ya8 s LYS 330 Cb 0.20 0.02 -0.13 0.00 -2.06 0.00 0.00 37.83 35.85 1ya8 s LYS 330 CO 0.51 -0.02 0.32 0.25 0.10 0.00 0.00 175.35 176.51 1ya8 n THR 331 N -0.07 1.30 -0.36 3.79 -2.24 -1.26 -4.59 114.28 110.84 1ya8 n THR 331 Ca 0.04 -0.50 -0.02 0.00 -2.27 0.00 0.00 64.05 61.30 1ya8 n THR 331 Cb 0.57 -0.34 0.12 0.00 -2.10 0.00 0.00 70.33 68.58 1ya8 n THR 331 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1ya8 h PRO 332 N 0.45 1.30 -0.73 -0.78 0.11 -1.99 -1.23 132.00 129.12 1ya8 h PRO 332 Ca -0.41 -0.08 0.09 0.00 0.11 0.00 0.00 66.00 65.72 1ya8 h PRO 332 Cb 1.42 -0.29 -0.07 0.00 0.11 0.00 0.00 31.00 32.17 1ya8 h PRO 332 CO 0.48 0.86 0.38 0.93 -0.21 0.00 0.00 178.00 180.44 1ya8 h GLU 333 N 1.33 0.62 0.36 1.05 3.07 -1.90 -1.31 114.58 117.80 1ya8 h GLU 333 Ca 0.36 -0.04 -0.02 0.00 -0.50 0.00 0.00 59.36 59.16 1ya8 h GLU 333 Cb -0.15 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 27.63 1ya8 h GLU 333 CO -0.08 0.41 -0.17 0.93 -1.40 0.00 0.00 179.01 178.70 1ya8 h GLU 334 N 0.64 -0.46 -0.97 2.33 5.08 -1.76 -3.35 114.58 116.09 1ya8 h GLU 334 Ca 0.36 0.03 0.25 0.00 -1.00 0.00 0.00 59.36 59.00 1ya8 h GLU 334 Cb 0.37 0.10 -0.18 0.00 0.50 0.00 0.00 28.75 29.54 1ya8 h GLU 334 CO -0.26 -0.31 -0.01 -0.07 -1.00 0.00 0.00 179.01 177.36 1ya8 h LEU 335 N -0.85 -0.53 -0.55 1.33 3.38 -1.09 0.32 115.31 117.32 1ya8 h LEU 335 Ca -0.05 0.28 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1ya8 h LEU 335 Cb 0.37 0.49 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1ya8 h LEU 335 CO 0.08 -0.34 0.00 0.00 0.09 0.00 0.00 178.44 178.28 1ya8 n GLN 336 N -5.50 0.08 -1.02 1.13 10.64 -0.51 -1.35 117.38 120.85 1ya8 n GLN 336 Ca 0.21 0.48 -0.19 0.00 -1.83 0.00 0.00 57.00 55.67 1ya8 n GLN 336 Cb 0.70 -1.70 0.16 0.00 -0.86 0.00 0.00 30.24 28.53 1ya8 n GLN 336 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1ya8 n ALA 337 N -1.63 5.03 -3.54 2.61 0.00 0.11 -4.73 120.51 118.37 1ya8 n ALA 337 Ca 0.01 -2.39 -0.29 0.00 0.00 0.00 0.00 53.44 50.77 1ya8 n ALA 337 Cb 0.08 -1.36 -0.14 0.00 0.00 0.00 0.00 19.45 18.03 1ya8 n ALA 337 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1ya8 s GLU 338 N -2.75 0.45 -1.50 0.00 2.12 -0.46 -5.04 118.70 111.53 1ya8 s GLU 338 Ca 0.48 -1.00 -0.09 0.00 0.36 0.00 0.00 54.97 54.72 1ya8 s GLU 338 Cb 0.40 -1.37 0.00 0.00 0.26 0.00 0.00 34.13 33.42 1ya8 s GLU 338 CO 0.09 -1.10 2.67 0.54 -0.54 0.00 0.00 175.26 176.92 1ya8 n ARG 339 N 4.62 3.91 -0.14 4.30 3.00 -1.26 -3.94 116.66 127.15 1ya8 n ARG 339 Ca 0.03 -2.70 0.00 0.00 -0.01 0.00 0.00 57.85 55.17 1ya8 n ARG 339 Cb 0.40 -2.80 0.00 0.00 0.00 0.00 0.00 32.46 30.06 1ya8 n ARG 339 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1ya8 n ASN 340 N 3.23 0.19 -4.83 0.55 4.13 -1.26 -5.08 115.26 112.20 1ya8 n ASN 340 Ca 0.69 -1.40 -0.25 0.00 1.68 0.00 0.00 54.58 55.31 1ya8 n ASN 340 Cb 0.26 -0.07 -0.05 0.00 -1.54 0.00 0.00 39.78 38.38 1ya8 n ASN 340 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1ya8 s PHE 341 N -0.14 3.19 0.09 3.10 5.36 -1.25 -5.06 117.98 123.26 1ya8 s PHE 341 Ca 0.01 -0.02 -0.31 0.00 -0.96 0.00 0.00 56.93 55.65 1ya8 s PHE 341 Cb 0.01 -1.51 -0.09 0.00 -0.34 0.00 0.00 43.02 41.08 1ya8 s PHE 341 CO 0.00 0.52 1.74 -1.58 -1.46 0.00 0.00 175.22 174.43 1ya8 s HIS 342 N -1.82 2.28 0.20 10.12 5.65 -1.26 -5.00 115.29 125.46 1ya8 s HIS 342 Ca 0.32 0.16 0.07 0.00 0.25 0.00 0.00 55.06 55.85 1ya8 s HIS 342 Cb -0.10 -4.06 -0.04 0.00 -1.18 0.00 0.00 32.58 27.20 1ya8 s HIS 342 CO 0.24 -4.33 0.10 0.95 -0.65 0.00 0.00 174.74 171.05 1ya8 s THR 343 N 2.73 4.14 0.07 0.89 -4.23 -1.26 -5.02 115.64 112.95 1ya8 s THR 343 Ca 0.77 -1.36 -0.14 0.00 -1.18 0.00 0.00 61.69 59.79 1ya8 s THR 343 Cb -0.42 -3.15 0.02 0.00 1.34 0.00 0.00 72.50 70.29 1ya8 s THR 343 CO 0.34 -0.20 0.32 0.68 -0.54 0.00 0.00 174.62 175.22 1ya8 s VAL 344 N -1.91 0.09 0.20 2.29 -7.23 -1.26 -5.07 120.40 107.51 1ya8 s VAL 344 Ca 0.30 -0.72 -0.32 0.00 -1.81 0.00 0.00 61.98 59.44 1ya8 s VAL 344 Cb -0.09 -1.05 -0.15 0.00 0.56 0.00 0.00 36.38 35.65 1ya8 s VAL 344 CO 0.22 -0.40 1.16 -2.65 -0.31 0.00 0.00 175.10 173.13 1ya8 n PRO 345 N 0.30 1.31 -3.74 4.82 -0.02 -1.26 -4.63 135.00 131.77 1ya8 n PRO 345 Ca -0.17 0.46 -0.20 0.00 -2.02 0.00 0.00 63.50 61.57 1ya8 n PRO 345 Cb 0.61 -1.96 -0.17 0.00 -0.02 0.00 0.00 33.50 31.96 1ya8 n PRO 345 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1ya8 s TYR 346 N -0.33 0.26 -0.22 6.00 6.04 -0.12 -2.01 117.35 126.96 1ya8 s TYR 346 Ca 0.70 0.10 -0.08 0.00 0.04 0.00 0.00 57.07 57.83 1ya8 s TYR 346 Cb -0.80 -0.54 -0.04 0.00 -1.04 0.00 0.00 41.96 39.55 1ya8 s TYR 346 CO 0.53 -0.21 0.07 1.41 -1.54 0.00 0.00 175.55 175.81 1ya8 s MET 347 N 1.88 3.81 -0.07 4.97 -2.45 0.20 -1.98 119.30 125.68 1ya8 s MET 347 Ca 0.02 -0.41 0.04 0.00 -1.25 0.00 0.00 55.69 54.09 1ya8 s MET 347 Cb -0.12 -3.30 0.00 0.00 1.25 0.00 0.00 34.83 32.66 1ya8 s MET 347 CO -0.03 0.02 -0.19 0.08 1.05 0.00 0.00 175.02 175.94 1ya8 s VAL 348 N 1.08 1.61 0.10 10.11 1.01 0.45 -0.81 120.40 133.95 1ya8 s VAL 348 Ca 0.04 -0.78 -0.17 0.00 0.00 0.00 0.00 61.98 61.08 1ya8 s VAL 348 Cb -0.14 -1.40 0.03 0.00 0.00 0.00 0.00 36.38 34.88 1ya8 s VAL 348 CO 0.03 0.46 0.40 -0.83 0.00 0.00 0.00 175.10 175.16 1ya8 s GLY 349 N 0.26 -0.27 0.29 4.51 0.00 -0.95 -2.83 107.32 108.33 1ya8 s GLY 349 Ca -0.11 0.05 0.02 0.00 0.00 0.00 0.00 44.72 44.69 1ya8 s GLY 349 CO 0.05 -0.21 0.08 -0.26 0.00 0.00 0.00 173.10 172.76 1ya8 s ILE 350 N -3.40 0.81 0.28 0.90 -4.36 -0.52 -0.80 121.20 114.11 1ya8 s ILE 350 Ca 0.00 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 58.46 1ya8 s ILE 350 Cb 0.01 -2.70 -0.03 0.00 1.25 0.00 0.00 42.46 41.00 1ya8 s ILE 350 CO -0.09 0.00 0.34 0.20 0.24 0.00 0.00 174.94 175.63 1ya8 s ASN 351 N -3.39 5.93 0.10 4.36 0.02 -1.26 -0.64 114.94 120.06 1ya8 s ASN 351 Ca 0.37 -0.13 -0.26 0.00 -1.02 0.00 0.00 52.86 51.82 1ya8 s ASN 351 Cb 0.08 -1.50 -0.12 0.00 0.02 0.00 0.00 41.25 39.73 1ya8 s ASN 351 CO 0.14 -0.19 1.68 0.50 0.02 0.00 0.00 177.10 179.26 1ya8 h LYS 352 N 1.18 -0.31 -3.07 -0.60 1.63 -0.67 -3.34 116.57 111.39 1ya8 h LYS 352 Ca -0.49 0.02 -0.62 0.00 -0.85 0.00 0.00 60.65 58.71 1ya8 h LYS 352 Cb 1.24 0.07 -0.42 0.00 -0.60 0.00 0.00 32.23 32.53 1ya8 h LYS 352 CO 0.59 -0.21 -0.61 -0.65 -3.45 0.00 0.00 179.45 175.13 1ya8 s GLN 353 N -6.13 2.30 0.34 1.90 -0.21 0.10 -4.93 119.66 113.03 1ya8 s GLN 353 Ca -0.15 -3.18 0.01 0.00 0.02 0.00 0.00 55.36 52.06 1ya8 s GLN 353 Cb 0.07 -3.27 0.59 0.00 1.00 0.00 0.00 33.01 31.40 1ya8 s GLN 353 CO 0.65 -1.27 2.00 0.93 -2.12 0.00 0.00 175.29 175.48 1ya8 h GLU 354 N 5.54 0.89 -0.64 2.91 4.39 -1.69 -2.06 114.58 123.92 1ya8 h GLU 354 Ca 0.13 -0.06 -0.17 0.00 0.34 0.00 0.00 59.36 59.60 1ya8 h GLU 354 Cb 0.78 -0.20 -0.10 0.00 -0.10 0.00 0.00 28.75 29.13 1ya8 h GLU 354 CO 0.69 0.59 0.19 0.34 -1.16 0.00 0.00 179.01 179.67 1ya8 n PHE 355 N -4.43 2.14 0.00 4.33 -0.00 -1.26 -3.58 117.46 114.66 1ya8 n PHE 355 Ca 0.07 -1.17 0.00 0.00 -0.00 0.00 0.00 57.45 56.35 1ya8 n PHE 355 Cb 0.04 -0.62 0.00 0.00 -0.00 0.00 0.00 39.48 38.90 1ya8 n PHE 355 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1ya8 n GLY 356 N -0.23 -3.04 0.95 7.13 0.00 -0.78 -4.67 105.19 104.55 1ya8 n GLY 356 Ca 0.37 0.08 -0.00 0.00 0.00 0.00 0.00 46.02 46.47 1ya8 n GLY 356 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1ya8 n TRP 357 N -0.56 0.00 0.00 1.61 -0.00 -1.26 -4.82 117.44 112.41 1ya8 n TRP 357 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 1ya8 n TRP 357 Cb 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 31.31 31.29 1ya8 n TRP 357 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 177.69 177.58 1ya8 n LEU 358 N -3.13 0.00 0.11 5.87 7.94 -1.26 -1.65 117.00 124.88 1ya8 n LEU 358 Ca -0.01 0.78 -0.15 0.00 -1.11 0.00 0.00 56.01 55.53 1ya8 n LEU 358 Cb 0.02 -0.39 -0.08 0.00 0.53 0.00 0.00 43.42 43.51 1ya8 n LEU 358 CO 0.01 -0.39 0.57 0.40 -1.11 0.00 0.00 177.39 176.87 1ya8 h ILE 359 N 0.00 0.13 -0.53 1.96 2.04 -1.91 -0.78 117.51 118.42 1ya8 h ILE 359 Ca 0.00 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.97 1ya8 h ILE 359 Cb 0.00 0.13 -0.09 0.00 -0.74 0.00 0.00 36.82 36.12 1ya8 h ILE 359 CO 0.00 0.00 -0.02 -0.65 0.00 0.00 0.00 178.15 177.48 1ya8 h PRO 360 N -0.66 0.09 -0.09 2.37 0.11 -1.79 -0.89 132.00 131.13 1ya8 h PRO 360 Ca 0.02 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.16 1ya8 h PRO 360 Cb 0.69 -0.02 -0.04 0.00 0.11 0.00 0.00 31.00 31.75 1ya8 h PRO 360 CO -0.26 0.06 -0.11 1.98 -0.21 0.00 0.00 178.00 179.46 1ya8 h MET 361 N 0.09 -0.14 0.00 1.05 -1.53 -0.99 0.14 114.93 113.55 1ya8 h MET 361 Ca 0.27 0.01 -0.02 0.00 -3.44 0.00 0.00 59.70 56.52 1ya8 h MET 361 Cb 0.42 0.03 -0.00 0.00 -0.55 0.00 0.00 31.60 31.49 1ya8 h MET 361 CO -0.47 -0.09 -0.07 -0.07 0.14 0.00 0.00 176.91 176.35 1ya8 h LEU 363 N -0.14 0.00 -0.38 3.39 3.38 -0.43 -1.47 115.31 119.66 1ya8 h LEU 363 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1ya8 h LEU 363 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1ya8 h LEU 363 CO -0.18 0.07 -0.55 0.23 0.09 0.00 0.00 178.44 178.10 1ya8 n MET 364 N -3.52 0.52 -2.50 1.13 2.81 -0.41 -4.83 117.12 110.33 1ya8 n MET 364 Ca -0.02 -0.38 -0.12 0.00 -1.81 0.00 0.00 57.70 55.37 1ya8 n MET 364 Cb 0.20 -1.49 0.01 0.00 -0.71 0.00 0.00 33.22 31.22 1ya8 n MET 364 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1ya8 n SER 365 N -0.91 -3.96 -4.60 7.83 7.64 0.24 -3.74 113.62 116.12 1ya8 n SER 365 Ca 0.08 -0.10 -0.46 0.00 1.01 0.00 0.00 58.87 59.40 1ya8 n SER 365 Cb 0.37 -2.98 -0.02 0.00 -1.01 0.00 0.00 64.21 60.56 1ya8 n SER 365 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ya8 n TYR 366 N -3.98 1.40 -1.53 1.43 9.36 0.16 -4.80 117.16 119.21 1ya8 n TYR 366 Ca -0.09 0.66 -0.35 0.00 3.32 0.00 0.00 57.90 61.44 1ya8 n TYR 366 Cb 0.58 -2.28 -0.07 0.00 -0.63 0.00 0.00 39.34 36.94 1ya8 n TYR 366 CO 0.00 0.00 0.00 -2.30 0.22 0.00 0.00 176.86 174.78 1ya8 n PRO 367 N 1.13 1.34 -3.04 2.98 -0.02 -1.26 -4.66 135.00 131.47 1ya8 n PRO 367 Ca 0.11 -2.05 -0.19 0.00 -2.02 0.00 0.00 63.50 59.35 1ya8 n PRO 367 Cb 0.30 -3.30 -0.02 0.00 -0.02 0.00 0.00 33.50 30.46 1ya8 n PRO 367 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1ya8 n LEU 368 N 11.37 1.90 0.13 2.45 4.77 -1.26 -4.88 117.00 131.48 1ya8 n LEU 368 Ca 0.47 -5.02 -0.21 0.00 -0.03 0.00 0.00 56.01 51.22 1ya8 n LEU 368 Cb 0.44 0.34 -0.15 0.00 -2.33 0.00 0.00 43.42 41.72 1ya8 n LEU 368 CO 0.87 2.22 -0.17 0.28 -1.33 0.00 0.00 177.39 179.26 1ya8 h SER 369 N 2.98 0.67 -0.35 -1.43 0.02 -1.96 -3.35 113.55 110.13 1ya8 h SER 369 Ca 0.09 -0.72 -0.14 0.00 -0.84 0.00 0.00 61.79 60.18 1ya8 h SER 369 Cb 0.89 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.20 1ya8 h SER 369 CO 0.59 1.56 -0.32 -0.33 -1.14 0.00 0.00 176.83 177.20 1ya8 h GLU 370 N 0.12 0.88 0.00 3.45 4.39 -2.00 -3.47 114.58 117.95 1ya8 h GLU 370 Ca -0.21 -0.42 0.00 0.00 0.34 0.00 0.00 59.36 59.07 1ya8 h GLU 370 Cb 2.09 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.73 1ya8 h GLU 370 CO 0.24 1.07 0.00 0.41 -1.16 0.00 0.00 179.01 179.57 1ya8 n GLY 371 N -0.01 0.41 3.44 -3.84 0.00 -1.26 -5.01 105.19 98.92 1ya8 n GLY 371 Ca -0.01 -0.85 -0.12 0.00 0.00 0.00 0.00 46.02 45.04 1ya8 n GLY 371 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1ya8 s GLN 372 N -1.54 1.55 0.28 1.61 -2.07 -1.26 -4.54 119.66 113.68 1ya8 s GLN 372 Ca 0.00 -1.52 -0.20 0.00 -1.82 0.00 0.00 55.36 51.81 1ya8 s GLN 372 Cb 0.00 0.40 0.04 0.00 -1.09 0.00 0.00 33.01 32.36 1ya8 s GLN 372 CO 0.00 -0.61 0.80 -1.17 -1.32 0.00 0.00 175.29 172.99 1ya8 s LEU 373 N -3.13 -0.17 0.02 2.60 2.96 0.84 -4.76 118.68 117.04 1ya8 s LEU 373 Ca 0.30 -0.71 -0.07 0.00 -0.22 0.00 0.00 54.13 53.43 1ya8 s LEU 373 Cb 0.02 2.62 -0.00 0.00 0.50 0.00 0.00 46.19 49.33 1ya8 s LEU 373 CO 0.13 -1.33 0.14 1.51 -1.32 0.00 0.00 176.35 175.48 1ya8 s ASP 374 N -2.99 0.07 0.60 3.68 -4.77 -1.26 -4.37 116.67 107.63 1ya8 s ASP 374 Ca 0.13 -0.32 0.29 0.00 -3.30 0.00 0.00 52.55 49.35 1ya8 s ASP 374 Cb -0.05 0.23 1.17 0.00 -1.09 0.00 0.00 42.92 43.18 1ya8 s ASP 374 CO 0.07 -0.45 1.52 1.56 0.70 0.00 0.00 175.17 178.58 1ya8 h GLN 375 N 3.93 0.00 0.00 2.11 1.08 -1.98 -0.21 115.11 120.04 1ya8 h GLN 375 Ca -0.31 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.89 1ya8 h GLN 375 Cb 1.19 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.62 1ya8 h GLN 375 CO 0.45 0.00 0.00 1.63 -0.95 0.00 0.00 178.83 179.96 1ya8 n LYS 376 N -3.45 0.00 -0.32 1.46 5.02 -1.26 -2.88 118.16 116.73 1ya8 n LYS 376 Ca 0.20 0.44 0.20 0.00 -2.02 0.00 0.00 58.31 57.13 1ya8 n LYS 376 Cb 1.29 -1.01 0.40 0.00 -0.02 0.00 0.00 35.03 35.69 1ya8 n LYS 376 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1ya8 h THR 377 N 0.00 0.29 -0.16 -0.18 2.02 -1.86 0.39 112.91 113.41 1ya8 h THR 377 Ca 0.00 -0.09 0.05 0.00 0.77 0.00 0.00 66.41 67.14 1ya8 h THR 377 Cb 0.00 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.35 1ya8 h THR 377 CO 0.00 0.05 -0.33 0.00 0.37 0.00 0.00 175.52 175.61 1ya8 h ALA 378 N 1.83 -0.37 0.00 6.16 0.00 -1.18 1.47 119.26 127.17 1ya8 h ALA 378 Ca 0.67 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.60 1ya8 h ALA 378 Cb 1.47 0.63 0.00 0.00 0.00 0.00 0.00 17.79 19.89 1ya8 h ALA 378 CO -0.64 -0.80 0.00 0.52 0.00 0.00 0.00 179.25 178.33 1ya8 h MET 379 N -0.39 0.00 0.09 0.00 2.07 -0.14 -1.24 114.93 115.32 1ya8 h MET 379 Ca 0.10 0.00 -0.34 0.00 -2.07 0.00 0.00 59.70 57.39 1ya8 h MET 379 Cb 0.55 0.00 -0.03 0.00 -1.87 0.00 0.00 31.60 30.25 1ya8 h MET 379 CO -0.37 0.00 -1.89 0.45 1.07 0.00 0.00 176.91 176.17 1ya8 n SER 380 N -2.64 2.06 -0.16 1.22 2.88 0.13 -3.39 113.62 113.72 1ya8 n SER 380 Ca -0.01 0.24 -0.11 0.00 -1.33 0.00 0.00 58.87 57.66 1ya8 n SER 380 Cb 0.14 -0.86 -0.01 0.00 -0.75 0.00 0.00 64.21 62.74 1ya8 n SER 380 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1ya8 h LEU 381 N -0.20 0.93 -0.79 2.46 3.38 0.20 -1.96 115.31 119.33 1ya8 h LEU 381 Ca -0.43 -0.38 -0.06 0.00 0.09 0.00 0.00 57.88 57.11 1ya8 h LEU 381 Cb 1.86 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 42.32 1ya8 h LEU 381 CO -0.00 1.09 0.22 0.25 0.09 0.00 0.00 178.44 180.09 1ya8 h LEU 382 N 0.75 1.05 -0.01 1.67 5.85 -1.42 0.17 115.31 123.38 1ya8 h LEU 382 Ca 0.11 -0.20 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 1ya8 h LEU 382 Cb 0.71 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.46 1ya8 h LEU 382 CO 0.05 0.98 0.01 -0.25 -0.34 0.00 0.00 178.44 178.89 1ya8 h TRP 383 N 1.08 0.02 0.00 1.25 -0.00 -1.54 -2.06 115.95 114.71 1ya8 h TRP 383 Ca 0.23 -0.00 -0.02 0.00 -0.00 0.00 0.00 58.89 59.10 1ya8 h TRP 383 Cb 0.31 -0.01 -0.00 0.00 -0.00 0.00 0.00 29.16 29.46 1ya8 h TRP 383 CO 0.02 0.19 -0.11 0.87 -0.00 0.00 0.00 178.44 179.41 1ya8 h LYS 384 N -0.16 0.00 -0.63 2.65 1.57 -1.17 0.07 116.57 118.91 1ya8 h LYS 384 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1ya8 h LYS 384 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1ya8 h LYS 384 CO -0.00 0.11 0.00 0.43 -0.57 0.00 0.00 179.45 179.42 1ya8 n SER 385 N -3.68 1.13 -0.34 0.86 7.64 0.60 -4.16 113.62 115.66 1ya8 n SER 385 Ca -0.02 -2.07 0.07 0.00 1.01 0.00 0.00 58.87 57.86 1ya8 n SER 385 Cb 0.23 -0.35 0.26 0.00 -1.01 0.00 0.00 64.21 63.34 1ya8 n SER 385 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 1ya8 h TYR 386 N 0.46 1.08 0.00 1.43 3.20 -0.78 0.42 116.97 122.79 1ya8 h TYR 386 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1ya8 h TYR 386 Cb 0.46 -0.35 0.00 0.00 1.54 0.00 0.00 36.73 38.38 1ya8 h TYR 386 CO 0.10 0.47 0.00 -0.35 -1.64 0.00 0.00 178.16 176.74 1ya8 n PRO 387 N -4.57 0.43 -0.01 1.82 -0.04 -1.26 -0.74 135.00 130.64 1ya8 n PRO 387 Ca 0.17 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.61 1ya8 n PRO 387 Cb 0.32 -1.47 -0.01 0.00 -0.04 0.00 0.00 33.50 32.30 1ya8 n PRO 387 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1ya8 n LEU 388 N -0.97 1.49 -0.51 1.53 4.77 0.02 -4.82 117.00 118.51 1ya8 n LEU 388 Ca 0.10 0.01 0.07 0.00 -0.03 0.00 0.00 56.01 56.16 1ya8 n LEU 388 Cb 0.05 -0.09 0.04 0.00 -2.33 0.00 0.00 43.42 41.09 1ya8 n LEU 388 CO 0.07 0.28 0.42 1.33 -1.33 0.00 0.00 177.39 178.16 1ya8 n VAL 389 N -2.87 0.00 -3.19 4.08 0.24 -0.47 -4.77 118.33 111.35 1ya8 n VAL 389 Ca -0.05 -0.46 -0.26 0.00 -2.04 0.00 0.00 64.34 61.53 1ya8 n VAL 389 Cb 0.54 1.26 0.02 0.00 -1.47 0.00 0.00 33.84 34.20 1ya8 n VAL 389 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ya8 s ILE 391 N -1.81 1.31 0.39 0.00 1.01 -1.26 -5.09 121.20 115.75 1ya8 s ILE 391 Ca 0.17 -0.49 -0.28 0.00 0.00 0.00 0.00 60.65 60.05 1ya8 s ILE 391 Cb -0.02 -1.25 -0.11 0.00 0.01 0.00 0.00 42.46 41.10 1ya8 s ILE 391 CO 0.69 0.41 1.49 0.00 0.00 0.00 0.00 174.94 177.53 1ya8 s ALA 392 N 1.36 3.54 0.26 9.38 0.00 -1.26 -4.77 121.76 130.27 1ya8 s ALA 392 Ca 0.00 1.59 -0.02 0.00 0.00 0.00 0.00 51.96 53.53 1ya8 s ALA 392 Cb -0.13 -3.62 0.45 0.00 0.00 0.00 0.00 23.12 19.82 1ya8 s ALA 392 CO -0.06 -1.10 1.84 -0.22 0.00 0.00 0.00 175.76 176.22 1ya8 h LYS 393 N 2.89 0.97 0.00 0.00 3.64 -1.99 0.38 116.57 122.46 1ya8 h LYS 393 Ca -0.51 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 58.81 1ya8 h LYS 393 Cb 1.24 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.84 1ya8 h LYS 393 CO 0.64 0.64 0.00 -0.85 -2.27 0.00 0.00 179.45 177.61 1ya8 n GLU 394 N -4.61 0.08 -0.07 1.90 0.00 -1.26 -1.60 120.64 115.07 1ya8 n GLU 394 Ca 0.16 0.26 -0.07 0.00 0.00 0.00 0.00 57.16 57.51 1ya8 n GLU 394 Cb 0.27 -1.50 -0.12 0.00 0.00 0.00 0.00 31.44 30.09 1ya8 n GLU 394 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1ya8 n LEU 395 N -1.36 0.00 -0.26 -1.84 4.77 0.12 -4.70 117.00 113.72 1ya8 n LEU 395 Ca 0.03 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.96 1ya8 n LEU 395 Cb 0.08 0.36 -0.04 0.00 -2.33 0.00 0.00 43.42 41.49 1ya8 n LEU 395 CO 0.07 0.36 0.32 -0.38 -1.33 0.00 0.00 177.39 176.44 1ya8 n ILE 396 N -2.55 -0.41 0.02 -0.08 2.08 -0.29 -2.11 119.36 116.02 1ya8 n ILE 396 Ca -0.24 1.54 -0.04 0.00 0.56 0.00 0.00 62.75 64.57 1ya8 n ILE 396 Cb 0.98 -1.93 -0.02 0.00 -0.75 0.00 0.00 39.64 37.91 1ya8 n ILE 396 CO 0.00 0.00 0.00 -0.65 0.56 0.00 0.00 176.55 176.46 1ya8 h PRO 397 N 0.00 -0.16 -0.98 0.38 0.11 -1.84 0.25 132.00 129.75 1ya8 h PRO 397 Ca 0.13 0.01 0.31 0.00 0.11 0.00 0.00 66.00 66.56 1ya8 h PRO 397 Cb 0.29 0.04 -0.18 0.00 0.11 0.00 0.00 31.00 31.26 1ya8 h PRO 397 CO -0.61 -0.11 0.18 0.93 -0.21 0.00 0.00 178.00 178.18 1ya8 h GLU 398 N -0.17 0.02 0.15 1.05 5.08 -1.74 0.43 114.58 119.41 1ya8 h GLU 398 Ca -0.00 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1ya8 h GLU 398 Cb 0.17 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1ya8 h GLU 398 CO -0.07 0.02 -0.07 0.00 -1.00 0.00 0.00 179.01 177.88 1ya8 h ALA 399 N 1.97 -0.20 -0.99 3.43 0.00 -1.09 -2.35 119.26 120.03 1ya8 h ALA 399 Ca 0.66 -0.21 0.14 0.00 0.00 0.00 0.00 54.91 55.51 1ya8 h ALA 399 Cb 1.49 0.08 -0.09 0.00 0.00 0.00 0.00 17.79 19.27 1ya8 h ALA 399 CO -0.86 -0.39 0.62 1.15 0.00 0.00 0.00 179.25 179.77 1ya8 h THR 400 N -0.64 0.85 0.50 0.00 2.02 0.28 -2.93 112.91 112.99 1ya8 h THR 400 Ca -0.02 -0.31 -0.02 0.00 0.77 0.00 0.00 66.41 66.83 1ya8 h THR 400 Cb 0.48 -0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.77 1ya8 h THR 400 CO 0.03 0.16 -0.24 -0.08 0.37 0.00 0.00 175.52 175.77 1ya8 h GLU 401 N 0.89 -0.65 -1.38 6.66 4.57 -0.30 -0.43 114.58 123.94 1ya8 h GLU 401 Ca 0.52 0.04 0.41 0.00 -1.18 0.00 0.00 59.36 59.15 1ya8 h GLU 401 Cb 0.64 0.15 -0.09 0.00 -0.16 0.00 0.00 28.75 29.30 1ya8 h GLU 401 CO -0.29 -0.35 0.95 -0.22 -1.18 0.00 0.00 179.01 177.92 1ya8 h LYS 402 N -1.04 0.09 0.00 1.92 1.63 -1.24 -0.10 116.57 117.82 1ya8 h LYS 402 Ca -0.07 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.73 1ya8 h LYS 402 Cb 0.60 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.21 1ya8 h LYS 402 CO 0.11 0.06 -0.61 0.66 -3.45 0.00 0.00 179.45 176.22 1ya8 n TYR 403 N -4.34 0.25 1.49 1.91 4.02 -1.15 -4.57 117.16 114.77 1ya8 n TYR 403 Ca 0.33 0.11 0.00 0.00 -0.01 0.00 0.00 57.90 58.33 1ya8 n TYR 403 Cb 1.42 -0.47 0.00 0.00 -0.02 0.00 0.00 39.34 40.27 1ya8 n TYR 403 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1ya8 n LEU 404 N -3.98 0.46 -0.21 7.72 4.77 -0.18 -3.73 117.00 121.86 1ya8 n LEU 404 Ca -0.09 -0.23 0.13 0.00 -0.03 0.00 0.00 56.01 55.80 1ya8 n LEU 404 Cb 0.32 -0.23 0.39 0.00 -2.33 0.00 0.00 43.42 41.57 1ya8 n LEU 404 CO 0.13 0.11 0.66 0.61 -1.33 0.00 0.00 177.39 177.57 1ya8 n GLY 405 N 0.26 -0.71 0.00 -0.72 0.00 -0.06 -4.62 105.19 99.33 1ya8 n GLY 405 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1ya8 n GLY 405 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ya8 n GLY 406 N 1.35 -2.18 1.92 -0.02 0.00 -1.24 -4.90 105.19 100.11 1ya8 n GLY 406 Ca 0.12 0.11 -0.13 0.00 0.00 0.00 0.00 46.02 46.11 1ya8 n GLY 406 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ya8 n THR 407 N -0.25 0.00 1.01 2.61 -2.24 -1.26 -5.04 114.28 109.11 1ya8 n THR 407 Ca 0.00 -1.11 0.11 0.00 -2.27 0.00 0.00 64.05 60.78 1ya8 n THR 407 Cb 0.00 -0.24 -0.02 0.00 -2.10 0.00 0.00 70.33 67.97 1ya8 n THR 407 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1ya8 n ASP 408 N -1.89 1.04 -4.53 3.42 8.00 -1.26 -4.93 116.55 116.40 1ya8 n ASP 408 Ca -0.02 -0.93 -0.53 0.00 0.71 0.00 0.00 54.79 54.03 1ya8 n ASP 408 Cb 0.32 0.77 -0.07 0.00 -0.02 0.00 0.00 41.12 42.12 1ya8 n ASP 408 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1ya8 n ASP 409 N -1.29 2.23 0.27 -2.24 -0.08 -1.26 -4.82 116.55 109.36 1ya8 n ASP 409 Ca 0.05 0.68 0.10 0.00 -1.51 0.00 0.00 54.79 54.11 1ya8 n ASP 409 Cb 0.35 -1.21 0.72 0.00 2.34 0.00 0.00 41.12 43.32 1ya8 n ASP 409 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 1ya8 h THR 410 N 6.39 0.86 0.05 5.18 1.35 -1.93 -1.10 112.91 123.71 1ya8 h THR 410 Ca -0.34 -0.03 -0.08 0.00 -0.55 0.00 0.00 66.41 65.41 1ya8 h THR 410 Cb 1.32 1.02 0.01 0.00 -1.73 0.00 0.00 68.15 68.77 1ya8 h THR 410 CO 1.00 0.01 -0.34 0.58 -0.25 0.00 0.00 175.52 176.52 1ya8 h VAL 411 N 0.00 1.66 -0.33 6.82 2.07 -1.85 0.24 116.25 124.86 1ya8 h VAL 411 Ca -0.00 -2.36 0.10 0.00 0.82 0.00 0.00 66.70 65.26 1ya8 h VAL 411 Cb 0.02 3.23 -0.01 0.00 -1.52 0.00 0.00 31.29 33.01 1ya8 h VAL 411 CO 0.00 0.64 0.27 0.11 0.02 0.00 0.00 177.57 178.61 1ya8 h LYS 412 N -0.69 0.00 0.45 1.57 1.57 -1.82 -2.47 116.57 115.18 1ya8 h LYS 412 Ca -0.06 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 1ya8 h LYS 412 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1ya8 h LYS 412 CO 0.06 0.00 -0.22 0.87 -0.57 0.00 0.00 179.45 179.60 1ya8 h LYS 413 N 0.00 -0.58 -0.85 3.15 1.57 -1.21 -2.45 116.57 116.20 1ya8 h LYS 413 Ca 0.16 0.04 0.16 0.00 -1.87 0.00 0.00 60.65 59.13 1ya8 h LYS 413 Cb 0.69 0.13 -0.16 0.00 0.08 0.00 0.00 32.23 32.98 1ya8 h LYS 413 CO -0.00 -0.28 -0.28 -0.22 -0.57 0.00 0.00 179.45 178.10 1ya8 h LYS 414 N -0.97 -0.03 -0.45 3.15 3.64 -1.32 0.13 116.57 120.72 1ya8 h LYS 414 Ca -0.06 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.36 1ya8 h LYS 414 Cb 0.57 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.36 1ya8 h LYS 414 CO 0.10 -0.02 0.21 -0.44 -2.27 0.00 0.00 179.45 177.03 1ya8 h ASP 415 N -0.03 0.29 0.20 4.20 3.32 -1.54 -1.19 116.42 121.67 1ya8 h ASP 415 Ca 0.37 0.03 -0.08 0.00 0.02 0.00 0.00 57.03 57.37 1ya8 h ASP 415 Cb 0.61 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.13 1ya8 h ASP 415 CO -0.88 0.20 -0.29 -0.07 -1.72 0.00 0.00 179.24 176.48 1ya8 h LEU 416 N 0.42 0.15 -0.55 1.55 3.38 -0.50 -1.92 115.31 117.83 1ya8 h LEU 416 Ca 0.20 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 1ya8 h LEU 416 Cb 0.13 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1ya8 h LEU 416 CO -0.16 0.45 0.19 0.15 0.09 0.00 0.00 178.44 179.16 1ya8 h PHE 417 N 0.13 0.88 -0.17 1.13 3.57 0.14 0.38 116.94 123.00 1ya8 h PHE 417 Ca 0.02 -0.08 -0.05 0.00 3.53 0.00 0.00 57.97 61.39 1ya8 h PHE 417 Cb 0.59 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 1ya8 h PHE 417 CO 0.01 0.73 -0.10 -0.07 -2.23 0.00 0.00 178.31 176.65 1ya8 h LEU 418 N 0.77 0.24 -0.17 0.59 3.38 -0.78 -1.26 115.31 118.09 1ya8 h LEU 418 Ca 0.18 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 58.03 1ya8 h LEU 418 Cb 0.26 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 1ya8 h LEU 418 CO -0.01 0.38 -0.20 0.44 0.09 0.00 0.00 178.44 179.14 1ya8 h ASP 419 N 0.25 0.47 -0.52 -0.43 3.32 -0.55 0.62 116.42 119.58 1ya8 h ASP 419 Ca 0.05 -0.50 0.06 0.00 0.02 0.00 0.00 57.03 56.66 1ya8 h ASP 419 Cb 0.35 -0.13 -0.08 0.00 0.22 0.00 0.00 39.33 39.68 1ya8 h ASP 419 CO 0.02 0.88 -0.52 0.25 -1.72 0.00 0.00 179.24 178.14 1ya8 h LEU 420 N 0.08 -1.79 -0.44 1.55 7.12 0.81 0.11 115.31 122.75 1ya8 h LEU 420 Ca 0.02 0.25 -0.02 0.00 0.13 0.00 0.00 57.88 58.26 1ya8 h LEU 420 Cb 0.76 0.75 -0.02 0.00 -0.53 0.00 0.00 40.66 41.62 1ya8 h LEU 420 CO 0.05 -0.33 0.20 0.40 -0.13 0.00 0.00 178.44 178.63 1ya8 h ILE 421 N -0.27 1.19 -0.08 4.05 2.04 -1.28 -2.51 117.51 120.65 1ya8 h ILE 421 Ca 0.09 -0.55 0.02 0.00 1.00 0.00 0.00 64.86 65.42 1ya8 h ILE 421 Cb 0.50 0.75 -0.00 0.00 -0.74 0.00 0.00 36.82 37.32 1ya8 h ILE 421 CO -0.63 0.21 0.15 0.00 0.00 0.00 0.00 178.15 177.87 1ya8 h ALA 422 N 1.04 1.50 0.03 1.87 0.00 0.30 -0.95 119.26 123.04 1ya8 h ALA 422 Ca 0.15 -0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.78 1ya8 h ALA 422 Cb 0.15 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1ya8 h ALA 422 CO -0.02 -0.19 -1.52 -0.44 0.00 0.00 0.00 179.25 177.08 1ya8 h ASP 423 N 0.00 0.09 -0.06 0.00 3.32 -0.39 -2.04 116.42 117.34 1ya8 h ASP 423 Ca 0.04 -0.15 -0.06 0.00 0.02 0.00 0.00 57.03 56.88 1ya8 h ASP 423 Cb 0.33 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1ya8 h ASP 423 CO -0.00 1.13 -0.20 0.58 -1.72 0.00 0.00 179.24 179.03 1ya8 h VAL 424 N 0.02 1.44 0.04 -1.35 2.07 -0.97 0.23 116.25 117.72 1ya8 h VAL 424 Ca -0.22 -1.61 -0.27 0.00 0.82 0.00 0.00 66.70 65.42 1ya8 h VAL 424 Cb 1.96 2.34 0.02 0.00 -1.52 0.00 0.00 31.29 34.09 1ya8 h VAL 424 CO 0.11 0.45 -1.10 0.24 0.02 0.00 0.00 177.57 177.29 1ya8 h MET 425 N -0.29 0.65 0.00 1.57 2.86 -1.50 -3.41 114.93 114.81 1ya8 h MET 425 Ca -0.01 -0.75 -0.01 0.00 -2.06 0.00 0.00 59.70 56.88 1ya8 h MET 425 Cb 0.84 0.22 -0.00 0.00 0.06 0.00 0.00 31.60 32.72 1ya8 h MET 425 CO 0.04 1.32 -1.02 1.19 1.06 0.00 0.00 176.91 179.50 1ya8 n PHE 426 N -3.82 0.00 0.00 -0.22 3.01 -1.16 -4.77 117.46 110.50 1ya8 n PHE 426 Ca -0.11 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.35 1ya8 n PHE 426 Cb 0.91 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 40.37 1ya8 n PHE 426 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ya8 n GLY 427 N 3.09 -3.24 0.35 1.37 0.00 -0.78 -1.94 105.19 104.04 1ya8 n GLY 427 Ca -0.01 0.40 -0.11 0.00 0.00 0.00 0.00 46.02 46.30 1ya8 n GLY 427 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1ya8 h VAL 428 N 0.00 0.25 -0.45 1.61 2.07 -0.83 -2.52 116.25 116.39 1ya8 h VAL 428 Ca 0.00 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.60 1ya8 h VAL 428 Cb 0.00 0.25 -0.10 0.00 -1.52 0.00 0.00 31.29 29.93 1ya8 h VAL 428 CO 0.00 0.00 -0.38 -0.65 0.02 0.00 0.00 177.57 176.56 1ya8 h PRO 429 N -0.44 -0.26 -0.07 1.57 0.11 -1.77 -0.98 132.00 130.17 1ya8 h PRO 429 Ca 0.08 0.02 0.04 0.00 0.11 0.00 0.00 66.00 66.25 1ya8 h PRO 429 Cb 0.57 0.06 -0.06 0.00 0.11 0.00 0.00 31.00 31.68 1ya8 h PRO 429 CO -0.34 -0.17 -0.37 0.77 -0.21 0.00 0.00 178.00 177.67 1ya8 h SER 430 N -0.27 -1.14 -0.84 -2.05 0.02 -1.14 0.56 113.55 108.69 1ya8 h SER 430 Ca 0.17 0.15 0.02 0.00 -0.84 0.00 0.00 61.79 61.29 1ya8 h SER 430 Cb 0.56 0.46 -0.05 0.00 0.14 0.00 0.00 62.40 63.52 1ya8 h SER 430 CO -0.59 -0.41 0.55 0.58 -1.14 0.00 0.00 176.83 175.82 1ya8 h VAL 431 N -0.49 1.17 0.37 2.27 2.07 -1.13 -1.42 116.25 119.09 1ya8 h VAL 431 Ca 0.07 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 1ya8 h VAL 431 Cb 0.60 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 1ya8 h VAL 431 CO -0.34 0.20 -0.29 0.40 0.02 0.00 0.00 177.57 177.56 1ya8 h ILE 432 N 1.09 0.39 -0.57 4.57 2.04 -0.61 0.29 117.51 124.71 1ya8 h ILE 432 Ca 0.33 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.30 1ya8 h ILE 432 Cb -0.05 0.39 -0.10 0.00 -0.74 0.00 0.00 36.82 36.32 1ya8 h ILE 432 CO -0.10 0.00 -0.05 0.58 0.00 0.00 0.00 178.15 178.58 1ya8 h VAL 433 N -0.66 0.50 -0.67 1.67 2.07 -0.54 -0.00 116.25 118.62 1ya8 h VAL 433 Ca -0.03 -0.02 0.03 0.00 0.82 0.00 0.00 66.70 67.50 1ya8 h VAL 433 Cb 0.57 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 1ya8 h VAL 433 CO -0.01 0.01 0.41 0.00 0.02 0.00 0.00 177.57 178.00 1ya8 h ALA 434 N 1.54 0.87 0.51 1.67 0.00 -0.89 -0.33 119.26 122.64 1ya8 h ALA 434 Ca 0.29 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 1ya8 h ALA 434 Cb 0.45 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1ya8 h ALA 434 CO -0.52 0.16 -0.34 0.00 0.00 0.00 0.00 179.25 178.55 1ya8 h ARG 435 N 0.80 -0.79 -0.50 0.00 3.08 0.84 0.69 114.38 118.50 1ya8 h ARG 435 Ca 0.27 0.05 0.08 0.00 0.07 0.00 0.00 59.98 60.46 1ya8 h ARG 435 Cb 0.04 0.18 -0.07 0.00 0.08 0.00 0.00 29.97 30.20 1ya8 h ARG 435 CO -0.11 -0.53 0.11 -0.91 -1.07 0.00 0.00 179.97 177.47 1ya8 h ASN 436 N -0.82 0.03 -0.96 7.04 4.21 -0.91 0.35 115.58 124.52 1ya8 h ASN 436 Ca -0.06 0.08 0.04 0.00 1.21 0.00 0.00 56.30 57.58 1ya8 h ASN 436 Cb 0.68 0.11 -0.06 0.00 -1.12 0.00 0.00 38.32 37.93 1ya8 h ASN 436 CO 0.04 0.04 0.63 -0.74 -1.29 0.00 0.00 177.43 176.12 1ya8 h HIS 437 N 0.26 1.16 0.79 1.19 2.76 -0.85 0.50 115.15 120.95 1ya8 h HIS 437 Ca 0.25 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.41 1ya8 h HIS 437 Cb 0.32 -0.39 0.01 0.00 1.55 0.00 0.00 27.41 28.91 1ya8 h HIS 437 CO -0.22 0.66 -0.38 -0.09 -1.30 0.00 0.00 177.93 176.61 1ya8 h ARG 438 N 1.19 -1.02 -0.43 5.26 2.43 0.11 -2.58 114.38 119.34 1ya8 h ARG 438 Ca 0.39 0.07 0.12 0.00 -0.81 0.00 0.00 59.98 59.75 1ya8 h ARG 438 Cb 0.04 0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.81 1ya8 h ARG 438 CO -0.13 -0.67 0.32 -0.44 -1.51 0.00 0.00 179.97 177.55 1ya8 h ASP 439 N -1.13 0.00 0.31 -3.80 3.32 0.24 0.52 116.42 115.87 1ya8 h ASP 439 Ca -0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.94 1ya8 h ASP 439 Cb 0.82 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.37 1ya8 h ASP 439 CO 0.18 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.70 1ya8 n ALA 440 N -2.59 1.45 -0.34 3.45 0.00 0.17 -4.83 120.51 117.82 1ya8 n ALA 440 Ca 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1ya8 n ALA 440 Cb 0.52 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.82 1ya8 n ALA 440 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ya8 n GLY 441 N -0.53 0.70 3.88 0.00 0.00 0.18 -4.98 105.19 104.44 1ya8 n GLY 441 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 1ya8 n GLY 441 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ya8 s ALA 442 N -2.54 3.76 -0.14 4.61 0.00 -1.05 -5.03 121.76 121.37 1ya8 s ALA 442 Ca 0.00 -0.45 -0.36 0.00 0.00 0.00 0.00 51.96 51.16 1ya8 s ALA 442 Cb 0.00 -2.20 -0.13 0.00 0.00 0.00 0.00 23.12 20.79 1ya8 s ALA 442 CO 0.00 0.60 1.86 -2.30 0.00 0.00 0.00 175.76 175.92 1ya8 n PRO 443 N 0.84 1.93 -4.68 0.00 -0.02 -1.26 -4.23 135.00 127.58 1ya8 n PRO 443 Ca -0.08 0.70 -0.23 0.00 -2.02 0.00 0.00 63.50 61.87 1ya8 n PRO 443 Cb 0.52 -2.53 -0.15 0.00 -0.02 0.00 0.00 33.50 31.33 1ya8 n PRO 443 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1ya8 s THR 444 N 4.08 1.22 0.00 3.45 2.01 -1.26 -0.95 115.64 124.19 1ya8 s THR 444 Ca 0.95 -0.71 0.02 0.00 0.31 0.00 0.00 61.69 62.25 1ya8 s THR 444 Cb -0.78 -1.03 -0.01 0.00 0.01 0.00 0.00 72.50 70.70 1ya8 s THR 444 CO 0.55 0.31 -0.06 -0.31 -0.69 0.00 0.00 174.62 174.42 1ya8 s TYR 445 N -0.42 0.52 0.23 4.92 2.02 -0.84 -0.17 117.35 123.61 1ya8 s TYR 445 Ca 0.06 -0.14 0.05 0.00 -0.37 0.00 0.00 57.07 56.67 1ya8 s TYR 445 Cb -0.06 -0.33 -0.05 0.00 -0.40 0.00 0.00 41.96 41.11 1ya8 s TYR 445 CO -0.00 -0.02 -0.05 -1.64 -1.57 0.00 0.00 175.55 172.27 1ya8 s MET 446 N -0.29 1.38 0.06 -0.62 -1.94 -1.25 -0.41 119.30 116.23 1ya8 s MET 446 Ca 0.01 -1.68 -0.26 0.00 -1.71 0.00 0.00 55.69 52.05 1ya8 s MET 446 Cb -0.03 -0.86 0.08 0.00 2.01 0.00 0.00 34.83 36.03 1ya8 s MET 446 CO -0.00 0.00 0.68 1.52 -0.01 0.00 0.00 175.02 177.21 1ya8 s TYR 447 N -3.22 -0.55 -0.23 -0.03 1.13 -1.13 -2.11 117.35 111.21 1ya8 s TYR 447 Ca 0.27 0.58 -0.01 0.00 -1.41 0.00 0.00 57.07 56.50 1ya8 s TYR 447 Cb 0.04 0.51 0.07 0.00 -1.10 0.00 0.00 41.96 41.47 1ya8 s TYR 447 CO 0.09 -0.72 0.01 -2.00 -2.51 0.00 0.00 175.55 170.42 1ya8 s GLU 448 N -2.75 1.05 -0.09 -3.49 2.12 -0.27 -1.43 118.70 113.83 1ya8 s GLU 448 Ca -0.02 -0.77 -0.30 0.00 0.36 0.00 0.00 54.97 54.24 1ya8 s GLU 448 Cb -0.01 -2.30 -0.01 0.00 0.26 0.00 0.00 34.13 32.07 1ya8 s GLU 448 CO -0.05 -0.68 1.00 0.12 -0.54 0.00 0.00 175.26 175.11 1ya8 s PHE 449 N 1.62 3.53 -0.45 5.30 5.36 0.18 -2.05 117.98 131.48 1ya8 s PHE 449 Ca -0.01 1.60 0.04 0.00 -0.96 0.00 0.00 56.93 57.60 1ya8 s PHE 449 Cb -0.18 -3.18 0.17 0.00 -0.34 0.00 0.00 43.02 39.49 1ya8 s PHE 449 CO -0.10 -0.20 0.36 0.00 -1.46 0.00 0.00 175.22 173.82 1ya8 n GLN 450 N 4.88 0.39 -3.88 10.12 10.64 -0.04 -0.92 117.38 138.57 1ya8 n GLN 450 Ca 0.08 -3.34 -0.09 0.00 -1.83 0.00 0.00 57.00 51.83 1ya8 n GLN 450 Cb 0.49 -1.75 -0.08 0.00 -0.86 0.00 0.00 30.24 28.05 1ya8 n GLN 450 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.06 174.76 1ya8 s TYR 451 N -0.14 0.18 -0.34 2.61 5.04 -1.26 -4.47 117.35 118.97 1ya8 s TYR 451 Ca 0.32 -0.60 0.03 0.00 -2.44 0.00 0.00 57.07 54.38 1ya8 s TYR 451 Cb 0.03 -0.09 0.10 0.00 0.35 0.00 0.00 41.96 42.35 1ya8 s TYR 451 CO -0.20 -0.51 0.06 0.50 -1.34 0.00 0.00 175.55 174.06 1ya8 s ARG 452 N -3.72 1.34 0.54 4.97 3.52 -1.26 -0.70 118.95 123.63 1ya8 s ARG 452 Ca 0.04 -1.73 -0.21 0.00 -0.13 0.00 0.00 55.73 53.69 1ya8 s ARG 452 Cb 0.05 -2.97 -0.05 0.00 -1.56 0.00 0.00 34.95 30.41 1ya8 s ARG 452 CO -0.10 -0.95 1.27 -1.25 -0.81 0.00 0.00 175.30 173.46 1ya8 s PRO 453 N 1.02 3.24 0.20 5.12 0.04 -1.26 -4.89 135.00 138.46 1ya8 s PRO 453 Ca 0.11 2.02 0.22 0.00 0.04 0.00 0.00 61.00 63.38 1ya8 s PRO 453 Cb -0.19 -2.20 0.90 0.00 0.04 0.00 0.00 34.50 33.05 1ya8 s PRO 453 CO -0.11 -1.05 1.67 -1.13 0.04 0.00 0.00 177.00 176.42 1ya8 n SER 454 N -1.05 0.53 -1.22 6.66 3.41 -1.26 -2.64 113.62 118.04 1ya8 n SER 454 Ca 0.11 0.62 -0.02 0.00 -0.26 0.00 0.00 58.87 59.31 1ya8 n SER 454 Cb 0.47 -0.74 0.12 0.00 -0.26 0.00 0.00 64.21 63.80 1ya8 n SER 454 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1ya8 n PHE 455 N -2.07 0.96 -1.96 7.33 3.01 -1.26 -4.91 117.46 118.55 1ya8 n PHE 455 Ca 0.03 -0.60 -0.30 0.00 1.01 0.00 0.00 57.45 57.59 1ya8 n PHE 455 Cb 0.23 -0.37 0.03 0.00 -0.01 0.00 0.00 39.48 39.37 1ya8 n PHE 455 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 1ya8 s SER 456 N -0.11 5.70 0.44 4.37 0.01 -1.08 -5.03 113.70 118.00 1ya8 s SER 456 Ca 0.21 1.16 -0.23 0.00 1.31 0.00 0.00 55.95 58.40 1ya8 s SER 456 Cb 0.17 -2.06 -0.08 0.00 0.21 0.00 0.00 66.02 64.26 1ya8 s SER 456 CO 0.05 -1.16 1.09 -0.55 0.41 0.00 0.00 173.24 173.08 1ya8 s SER 457 N -4.30 6.41 0.41 2.44 0.15 -1.26 -4.94 113.70 112.62 1ya8 s SER 457 Ca 0.56 2.12 0.10 0.00 0.70 0.00 0.00 55.95 59.43 1ya8 s SER 457 Cb -0.11 -2.59 0.87 0.00 -1.71 0.00 0.00 66.02 62.48 1ya8 s SER 457 CO 0.51 -0.74 1.98 0.44 1.20 0.00 0.00 173.24 176.64 1ya8 h ASP 458 N 2.09 0.24 0.00 5.45 3.32 -1.98 -1.94 116.42 123.60 1ya8 h ASP 458 Ca -0.49 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.53 1ya8 h ASP 458 Cb 1.23 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.72 1ya8 h ASP 458 CO 0.61 0.32 0.00 0.23 -1.72 0.00 0.00 179.24 178.67 1ya8 n MET 459 N -4.35 0.91 -3.41 3.56 2.81 -1.26 -4.74 117.12 110.64 1ya8 n MET 459 Ca -0.00 0.00 -0.40 0.00 -1.81 0.00 0.00 57.70 55.49 1ya8 n MET 459 Cb 0.20 -1.01 -0.09 0.00 -0.71 0.00 0.00 33.22 31.60 1ya8 n MET 459 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 1ya8 s LYS 460 N -1.97 3.77 0.04 0.03 2.20 -0.73 -5.03 119.74 118.05 1ya8 s LYS 460 Ca 0.00 -0.23 -0.35 0.00 -0.36 0.00 0.00 55.97 55.03 1ya8 s LYS 460 Cb 0.00 -3.73 -0.14 0.00 -1.51 0.00 0.00 37.83 32.45 1ya8 s LYS 460 CO 0.00 -0.40 1.66 -0.35 -0.36 0.00 0.00 175.35 175.90 1ya8 n PRO 461 N 5.34 1.99 0.12 4.03 -0.04 -1.26 -4.82 135.00 140.37 1ya8 n PRO 461 Ca -0.09 0.72 0.07 0.00 -0.04 0.00 0.00 63.50 64.16 1ya8 n PRO 461 Cb 0.50 -2.50 0.38 0.00 -0.04 0.00 0.00 33.50 31.84 1ya8 n PRO 461 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1ya8 n LYS 462 N 4.49 0.09 0.17 0.54 5.02 -1.26 -1.24 118.16 125.97 1ya8 n LYS 462 Ca 0.20 0.56 0.07 0.00 -2.02 0.00 0.00 58.31 57.12 1ya8 n LYS 462 Cb 0.27 -1.91 0.09 0.00 -0.02 0.00 0.00 35.03 33.45 1ya8 n LYS 462 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 1ya8 h THR 463 N 0.00 0.38 -2.88 -0.18 1.35 -2.05 -3.44 112.91 106.10 1ya8 h THR 463 Ca 0.00 -1.55 -0.56 0.00 -0.55 0.00 0.00 66.41 63.74 1ya8 h THR 463 Cb 0.23 2.14 -0.03 0.00 -1.73 0.00 0.00 68.15 68.76 1ya8 h THR 463 CO 0.00 0.22 1.04 -0.69 -0.25 0.00 0.00 175.52 175.83 1ya8 s VAL 464 N -3.10 3.92 -0.03 6.82 1.01 -0.38 -4.99 120.40 123.64 1ya8 s VAL 464 Ca 0.05 1.06 0.05 0.00 0.00 0.00 0.00 61.98 63.14 1ya8 s VAL 464 Cb 0.07 -3.86 -0.01 0.00 0.00 0.00 0.00 36.38 32.58 1ya8 s VAL 464 CO 0.72 -0.29 -0.19 -0.63 0.00 0.00 0.00 175.10 174.71 1ya8 s ILE 465 N 4.51 1.57 -0.76 2.22 1.01 -1.26 -4.75 121.20 123.74 1ya8 s ILE 465 Ca 0.64 -0.82 -0.03 0.00 0.00 0.00 0.00 60.65 60.44 1ya8 s ILE 465 Cb -0.23 -1.33 0.00 0.00 0.01 0.00 0.00 42.46 40.92 1ya8 s ILE 465 CO 0.25 0.45 0.65 0.61 0.00 0.00 0.00 174.94 176.90 1ya8 n GLY 466 N 2.87 0.03 3.83 6.18 0.00 0.12 -3.50 105.19 114.71 1ya8 n GLY 466 Ca -0.17 -0.13 -0.29 0.00 0.00 0.00 0.00 46.02 45.43 1ya8 n GLY 466 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ya8 s ASP 467 N -3.45 4.36 -0.16 1.61 2.15 -1.24 0.02 116.67 119.95 1ya8 s ASP 467 Ca 0.20 1.09 -0.34 0.00 0.43 0.00 0.00 52.55 53.93 1ya8 s ASP 467 Cb -0.09 -1.75 -0.11 0.00 -0.30 0.00 0.00 42.92 40.67 1ya8 s ASP 467 CO 0.43 -2.03 1.95 1.57 -0.17 0.00 0.00 175.17 176.92 1ya8 n HIS 468 N -3.44 2.16 -0.00 -5.34 -0.00 -1.20 -1.57 115.22 105.82 1ya8 n HIS 468 Ca 0.07 0.08 0.00 0.00 -0.00 0.00 0.00 57.72 57.87 1ya8 n HIS 468 Cb 0.58 -2.63 0.00 0.00 -0.00 0.00 0.00 29.99 27.94 1ya8 n HIS 468 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1ya8 n GLY 469 N 4.86 1.24 0.39 1.57 0.00 -1.26 -4.87 105.19 107.12 1ya8 n GLY 469 Ca 0.27 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.46 1ya8 n GLY 469 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ya8 h ASP 470 N 0.00 0.48 0.62 1.61 3.32 -1.65 0.67 116.42 121.48 1ya8 h ASP 470 Ca 0.00 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1ya8 h ASP 470 Cb 0.00 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.51 1ya8 h ASP 470 CO 0.00 0.20 0.00 -1.84 -1.72 0.00 0.00 179.24 175.88 1ya8 n GLU 471 N -4.54 0.16 -0.31 3.56 0.00 -1.26 -3.20 120.64 115.05 1ya8 n GLU 471 Ca 0.19 0.42 -0.01 0.00 0.00 0.00 0.00 57.16 57.77 1ya8 n GLU 471 Cb 0.64 -1.83 0.12 0.00 0.00 0.00 0.00 31.44 30.38 1ya8 n GLU 471 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 1ya8 h LEU 472 N 0.00 0.89 -1.29 -1.84 3.38 -1.26 -0.81 115.31 114.38 1ya8 h LEU 472 Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1ya8 h LEU 472 Cb 0.31 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1ya8 h LEU 472 CO 0.00 0.59 -0.04 -0.26 0.09 0.00 0.00 178.44 178.83 1ya8 h PHE 473 N 1.03 0.45 0.13 1.13 -1.00 -1.73 0.28 116.94 117.24 1ya8 h PHE 473 Ca 0.35 -0.05 -0.28 0.00 2.81 0.00 0.00 57.97 60.81 1ya8 h PHE 473 Cb 0.07 -0.13 0.01 0.00 3.61 0.00 0.00 35.95 39.50 1ya8 h PHE 473 CO -0.02 0.48 -1.25 0.77 -1.61 0.00 0.00 178.31 176.68 1ya8 h SER 474 N 0.42 0.45 -0.25 2.17 0.02 -1.62 0.32 113.55 115.07 1ya8 h SER 474 Ca 0.09 -0.48 -0.18 0.00 -0.84 0.00 0.00 61.79 60.38 1ya8 h SER 474 Cb 0.34 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.73 1ya8 h SER 474 CO 0.01 1.37 -0.55 0.58 -1.14 0.00 0.00 176.83 177.10 1ya8 h VAL 475 N 0.08 1.29 -0.60 2.27 2.07 -0.88 -3.16 116.25 117.32 1ya8 h VAL 475 Ca -0.14 -1.75 0.00 0.00 0.82 0.00 0.00 66.70 65.64 1ya8 h VAL 475 Cb 1.97 1.74 0.00 0.00 -1.52 0.00 0.00 31.29 33.49 1ya8 h VAL 475 CO 0.21 0.56 0.00 0.49 0.02 0.00 0.00 177.57 178.85 1ya8 n PHE 476 N -4.05 1.27 -3.72 1.57 3.01 0.06 -4.73 117.46 110.87 1ya8 n PHE 476 Ca -0.05 -0.52 -0.23 0.00 1.01 0.00 0.00 57.45 57.66 1ya8 n PHE 476 Cb 0.63 -0.18 0.03 0.00 -0.01 0.00 0.00 39.48 39.94 1ya8 n PHE 476 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ya8 n GLY 477 N 1.16 -0.41 0.33 1.37 0.00 -0.82 -4.58 105.19 102.25 1ya8 n GLY 477 Ca 0.23 0.19 0.14 0.00 0.00 0.00 0.00 46.02 46.58 1ya8 n GLY 477 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ya8 h ALA 478 N 0.81 2.21 -0.18 4.61 0.00 -0.62 -1.77 119.26 124.31 1ya8 h ALA 478 Ca -0.62 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.33 1ya8 h ALA 478 Cb 1.36 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 1ya8 h ALA 478 CO 0.56 -0.30 0.15 -1.35 0.00 0.00 0.00 179.25 178.31 1ya8 h PRO 479 N 0.09 0.00 -0.62 0.00 0.11 -1.89 0.23 132.00 129.93 1ya8 h PRO 479 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1ya8 h PRO 479 Cb 0.53 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.64 1ya8 h PRO 479 CO -0.02 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.96 1ya8 n PHE 480 N -4.23 1.02 0.00 0.65 3.01 -0.66 -4.19 117.46 113.05 1ya8 n PHE 480 Ca 0.01 -0.45 0.00 0.00 1.01 0.00 0.00 57.45 58.03 1ya8 n PHE 480 Cb 0.28 -0.10 0.00 0.00 -0.01 0.00 0.00 39.48 39.65 1ya8 n PHE 480 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1ya8 n LEU 481 N 1.08 0.00 0.00 4.37 4.77 -0.75 -4.97 117.00 121.50 1ya8 n LEU 481 Ca 0.21 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 56.08 1ya8 n LEU 481 Cb 0.63 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.74 1ya8 n LEU 481 CO 0.17 0.00 0.12 0.29 -1.33 0.00 0.00 177.39 176.64 1ya8 n LYS 482 N -0.75 0.93 -4.29 3.23 5.02 0.74 -3.68 118.16 119.36 1ya8 n LYS 482 Ca 0.00 -1.55 -0.24 0.00 -2.02 0.00 0.00 58.31 54.51 1ya8 n LYS 482 Cb 0.09 -0.00 -0.12 0.00 -0.02 0.00 0.00 35.03 34.97 1ya8 n LYS 482 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1ya8 s GLU 483 N -3.18 1.14 0.00 1.97 2.02 -1.26 -4.78 118.70 114.61 1ya8 s GLU 483 Ca 0.23 -1.19 0.00 0.00 0.02 0.00 0.00 54.97 54.03 1ya8 s GLU 483 Cb -0.02 -1.39 0.00 0.00 0.10 0.00 0.00 34.13 32.82 1ya8 s GLU 483 CO 0.15 0.32 0.00 0.41 0.02 0.00 0.00 175.26 176.16 1ya8 n GLY 484 N 1.00 0.57 3.66 -1.39 0.00 -1.26 -5.02 105.19 102.76 1ya8 n GLY 484 Ca -0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 1ya8 n GLY 484 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ya8 s ALA 485 N -2.31 3.63 0.88 4.61 0.00 -1.26 -4.99 121.76 122.32 1ya8 s ALA 485 Ca 0.00 0.84 -0.11 0.00 0.00 0.00 0.00 51.96 52.69 1ya8 s ALA 485 Cb 0.00 -3.70 0.12 0.00 0.00 0.00 0.00 23.12 19.54 1ya8 s ALA 485 CO 0.00 -1.29 1.09 -1.54 0.00 0.00 0.00 175.76 174.02 1ya8 s SER 486 N 2.89 3.53 0.35 0.00 1.04 -1.26 -4.69 113.70 115.56 1ya8 s SER 486 Ca 0.69 1.68 0.06 0.00 0.48 0.00 0.00 55.95 58.86 1ya8 s SER 486 Cb -0.31 -2.33 0.74 0.00 0.10 0.00 0.00 66.02 64.21 1ya8 s SER 486 CO 0.26 -2.63 1.93 -0.08 0.98 0.00 0.00 173.24 173.70 1ya8 h GLU 487 N -1.54 0.75 0.36 4.02 4.57 -1.98 0.57 114.58 121.32 1ya8 h GLU 487 Ca -0.48 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 57.66 1ya8 h GLU 487 Cb 1.27 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 29.67 1ya8 h GLU 487 CO 0.52 0.49 -0.37 1.49 -1.18 0.00 0.00 179.01 179.96 1ya8 h GLU 488 N 0.77 -0.73 -0.28 1.92 4.81 -1.99 -1.07 114.58 118.01 1ya8 h GLU 488 Ca 0.35 0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.65 1ya8 h GLU 488 Cb 0.36 0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.89 1ya8 h GLU 488 CO -0.13 -0.49 0.15 1.49 -0.73 0.00 0.00 179.01 179.30 1ya8 h GLU 489 N -0.76 0.31 -0.99 1.92 4.81 -1.74 0.45 114.58 118.57 1ya8 h GLU 489 Ca -0.02 -0.02 0.13 0.00 -0.13 0.00 0.00 59.36 59.31 1ya8 h GLU 489 Cb 0.69 -0.07 -0.09 0.00 0.63 0.00 0.00 28.75 29.91 1ya8 h GLU 489 CO -0.07 0.20 0.62 0.82 -0.73 0.00 0.00 179.01 179.85 1ya8 h ILE 490 N 0.32 0.89 0.00 2.32 2.04 -0.70 -1.00 117.51 121.38 1ya8 h ILE 490 Ca 0.11 -0.33 -0.15 0.00 1.00 0.00 0.00 64.86 65.49 1ya8 h ILE 490 Cb 0.02 -0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 35.93 1ya8 h ILE 490 CO -0.07 0.17 -0.80 0.03 0.00 0.00 0.00 178.15 177.49 1ya8 h ARG 491 N 0.96 0.00 -0.66 2.37 3.08 -0.72 -2.70 114.38 116.72 1ya8 h ARG 491 Ca 0.50 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.50 1ya8 h ARG 491 Cb 0.53 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.55 1ya8 h ARG 491 CO -0.28 0.65 0.20 1.25 -1.07 0.00 0.00 179.97 180.73 1ya8 h LEU 492 N 0.00 0.96 0.16 3.04 5.85 0.13 -0.97 115.31 124.48 1ya8 h LEU 492 Ca -0.03 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 1ya8 h LEU 492 Cb 1.56 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 42.34 1ya8 h LEU 492 CO 0.09 0.91 -0.08 -1.28 -0.34 0.00 0.00 178.44 177.74 1ya8 h SER 493 N 0.95 -0.18 -0.50 1.25 0.87 -1.21 -1.52 113.55 113.21 1ya8 h SER 493 Ca 0.21 -0.17 0.10 0.00 -1.23 0.00 0.00 61.79 60.70 1ya8 h SER 493 Cb 0.30 0.05 -0.10 0.00 -0.44 0.00 0.00 62.40 62.21 1ya8 h SER 493 CO -0.01 0.06 -0.13 0.11 -0.53 0.00 0.00 176.83 176.34 1ya8 h LYS 494 N -0.43 -0.01 -0.15 2.24 1.57 -1.35 -0.94 116.57 117.51 1ya8 h LYS 494 Ca -0.02 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.81 1ya8 h LYS 494 Cb 0.34 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.59 1ya8 h LYS 494 CO 0.04 -0.00 -0.27 1.98 -0.57 0.00 0.00 179.45 180.62 1ya8 h MET 495 N -0.01 -0.32 -0.30 3.15 4.05 -1.03 -2.08 114.93 118.40 1ya8 h MET 495 Ca 0.24 0.02 0.01 0.00 -0.28 0.00 0.00 59.70 59.69 1ya8 h MET 495 Cb 0.37 0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 31.22 1ya8 h MET 495 CO -0.52 -0.21 0.18 0.28 0.23 0.00 0.00 176.91 176.87 1ya8 h VAL 496 N -0.33 1.04 -0.94 -5.77 2.07 -0.35 -2.44 116.25 109.53 1ya8 h VAL 496 Ca 0.11 -0.13 0.06 0.00 0.82 0.00 0.00 66.70 67.56 1ya8 h VAL 496 Cb 0.49 0.64 -0.06 0.00 -1.52 0.00 0.00 31.29 30.84 1ya8 h VAL 496 CO -0.34 0.07 0.61 0.24 0.02 0.00 0.00 177.57 178.17 1ya8 h MET 497 N 0.37 1.06 0.42 1.57 2.07 -0.95 0.21 114.93 119.68 1ya8 h MET 497 Ca 0.12 -0.06 -0.01 0.00 -2.07 0.00 0.00 59.70 57.67 1ya8 h MET 497 Cb -0.01 -0.24 -0.02 0.00 -1.87 0.00 0.00 31.60 29.46 1ya8 h MET 497 CO -0.05 0.70 -0.45 0.87 1.07 0.00 0.00 176.91 179.04 1ya8 h LYS 498 N 1.09 -0.85 -0.34 1.72 1.79 -0.95 0.46 116.57 119.48 1ya8 h LYS 498 Ca 0.40 0.06 0.04 0.00 -2.18 0.00 0.00 60.65 58.97 1ya8 h LYS 498 Cb 0.18 0.19 -0.07 0.00 -1.58 0.00 0.00 32.23 30.95 1ya8 h LYS 498 CO -0.15 -0.57 -0.45 0.74 -1.08 0.00 0.00 179.45 177.94 1ya8 h PHE 499 N -0.88 -1.39 0.02 -1.35 0.05 -0.92 1.11 116.94 113.59 1ya8 h PHE 499 Ca -0.05 0.07 0.03 0.00 3.82 0.00 0.00 57.97 61.83 1ya8 h PHE 499 Cb 0.77 0.65 -0.05 0.00 2.00 0.00 0.00 35.95 39.32 1ya8 h PHE 499 CO -0.25 -0.40 -0.34 -1.49 -0.18 0.00 0.00 178.31 175.66 1ya8 h TRP 500 N -0.32 -0.93 -0.90 -0.55 -0.00 -0.82 0.90 115.95 113.34 1ya8 h TRP 500 Ca 0.06 0.03 0.07 0.00 -0.00 0.00 0.00 58.89 59.05 1ya8 h TRP 500 Cb 0.48 0.41 -0.07 0.00 -0.00 0.00 0.00 29.16 29.98 1ya8 h TRP 500 CO -0.71 -0.43 0.56 0.00 -0.00 0.00 0.00 178.44 177.86 1ya8 h ALA 501 N 0.17 1.26 0.09 1.49 0.00 0.48 0.68 119.26 123.43 1ya8 h ALA 501 Ca 0.05 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1ya8 h ALA 501 Cb 0.58 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1ya8 h ALA 501 CO -0.26 0.28 -0.06 -0.91 0.00 0.00 0.00 179.25 178.30 1ya8 h ASN 502 N 0.99 -0.16 -0.55 0.00 2.35 0.20 0.12 115.58 118.52 1ya8 h ASN 502 Ca 0.40 0.01 0.09 0.00 -0.55 0.00 0.00 56.30 56.25 1ya8 h ASN 502 Cb 0.23 0.05 -0.07 0.00 0.05 0.00 0.00 38.32 38.58 1ya8 h ASN 502 CO -0.19 -0.10 0.16 0.15 -1.65 0.00 0.00 177.43 175.79 1ya8 h PHE 503 N -0.16 0.27 -0.91 1.19 3.57 -0.05 0.30 116.94 121.16 1ya8 h PHE 503 Ca -0.00 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.61 1ya8 h PHE 503 Cb 0.14 -0.04 -0.07 0.00 2.79 0.00 0.00 35.95 38.77 1ya8 h PHE 503 CO -0.09 0.04 0.56 0.00 -2.23 0.00 0.00 178.31 176.60 1ya8 h ALA 504 N 1.40 1.30 -0.01 2.41 0.00 -0.30 1.17 119.26 125.24 1ya8 h ALA 504 Ca 0.28 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 1ya8 h ALA 504 Cb 0.36 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1ya8 h ALA 504 CO -0.32 0.26 -0.01 0.00 0.00 0.00 0.00 179.25 179.18 1ya8 h ARG 505 N 0.98 0.02 0.00 0.00 3.08 0.17 -3.41 114.38 115.22 1ya8 h ARG 505 Ca 0.42 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.46 1ya8 h ARG 505 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.34 1ya8 h ARG 505 CO -0.21 0.59 -0.00 0.09 -1.07 0.00 0.00 179.97 179.37 1ya8 n ASN 506 N -4.79 1.68 -1.48 7.04 3.02 0.80 -4.97 115.26 116.56 1ya8 n ASN 506 Ca -0.09 -1.84 -0.15 0.00 -0.03 0.00 0.00 54.58 52.47 1ya8 n ASN 506 Cb 0.30 -0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.43 1ya8 n ASN 506 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ya8 n GLY 507 N -0.42 0.52 3.08 7.41 0.00 0.40 -4.96 105.19 111.22 1ya8 n GLY 507 Ca 0.00 -0.27 -0.06 0.00 0.00 0.00 0.00 46.02 45.69 1ya8 n GLY 507 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ya8 s ASN 508 N -2.54 -0.25 0.22 1.61 3.84 -1.25 -4.92 114.94 111.65 1ya8 s ASN 508 Ca 0.00 0.60 0.14 0.00 0.21 0.00 0.00 52.86 53.81 1ya8 s ASN 508 Cb 0.00 1.43 0.77 0.00 -0.55 0.00 0.00 41.25 42.90 1ya8 s ASN 508 CO 0.00 -0.27 1.42 -0.81 -2.79 0.00 0.00 177.10 174.64 1ya8 n PRO 509 N 5.39 0.09 -1.81 0.43 -0.04 -1.26 -3.41 135.00 134.38 1ya8 n PRO 509 Ca -0.05 0.58 -0.33 0.00 -0.04 0.00 0.00 63.50 63.67 1ya8 n PRO 509 Cb 0.50 -1.84 0.04 0.00 -0.04 0.00 0.00 33.50 32.16 1ya8 n PRO 509 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1ya8 s ASN 510 N -3.64 5.30 -0.22 3.54 0.01 -1.26 -4.35 114.94 114.32 1ya8 s ASN 510 Ca -0.02 1.92 -0.31 0.00 -0.71 0.00 0.00 52.86 53.74 1ya8 s ASN 510 Cb 0.04 -2.54 0.16 0.00 0.41 0.00 0.00 41.25 39.32 1ya8 s ASN 510 CO 0.13 -1.50 1.20 -0.83 -1.51 0.00 0.00 177.10 174.59 1ya8 s GLY 511 N -2.74 -0.13 0.25 0.66 0.00 -1.26 -4.88 107.32 99.21 1ya8 s GLY 511 Ca 0.65 2.22 -0.31 0.00 0.00 0.00 0.00 44.72 47.28 1ya8 s GLY 511 CO 0.41 0.91 1.66 -0.54 0.00 0.00 0.00 173.10 175.55 1ya8 s GLU 512 N -1.47 4.12 0.00 2.90 2.02 -1.26 -2.11 118.70 122.90 1ya8 s GLU 512 Ca 0.06 2.59 0.00 0.00 0.02 0.00 0.00 54.97 57.64 1ya8 s GLU 512 Cb -0.01 -3.05 0.00 0.00 0.10 0.00 0.00 34.13 31.17 1ya8 s GLU 512 CO -0.04 -0.70 0.00 0.41 0.02 0.00 0.00 175.26 174.95 1ya8 n GLY 513 N 3.15 0.74 3.34 -1.39 0.00 -1.26 -5.07 105.19 104.70 1ya8 n GLY 513 Ca 0.12 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 1ya8 n GLY 513 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ya8 s LEU 514 N 0.00 2.27 0.79 0.99 1.43 -0.90 -5.12 118.68 118.15 1ya8 s LEU 514 Ca 0.00 -0.68 -0.14 0.00 -1.03 0.00 0.00 54.13 52.28 1ya8 s LEU 514 Cb 0.00 -1.11 0.05 0.00 0.03 0.00 0.00 46.19 45.15 1ya8 s LEU 514 CO 0.00 0.16 0.99 -2.65 0.23 0.00 0.00 176.35 175.08 1ya8 n PRO 515 N 1.22 0.22 -2.77 1.29 -0.02 -1.26 -4.79 135.00 128.89 1ya8 n PRO 515 Ca -0.18 0.14 -0.42 0.00 -2.02 0.00 0.00 63.50 61.02 1ya8 n PRO 515 Cb 0.53 -2.26 -0.03 0.00 -0.02 0.00 0.00 33.50 31.72 1ya8 n PRO 515 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1ya8 s HIS 516 N -2.05 3.59 -0.43 6.00 2.46 -1.26 -4.85 115.29 118.75 1ya8 s HIS 516 Ca 0.71 1.57 -0.13 0.00 0.47 0.00 0.00 55.06 57.68 1ya8 s HIS 516 Cb -0.30 -3.08 0.06 0.00 -0.13 0.00 0.00 32.58 29.12 1ya8 s HIS 516 CO 0.53 -0.07 0.30 -0.46 -2.47 0.00 0.00 174.74 172.57 1ya8 s TRP 517 N 1.33 3.27 0.51 3.88 -0.11 -1.26 -4.58 118.94 121.98 1ya8 s TRP 517 Ca 0.48 -1.06 -0.22 0.00 1.22 0.00 0.00 56.10 56.52 1ya8 s TRP 517 Cb -0.19 -2.85 -0.06 0.00 -1.50 0.00 0.00 33.47 28.87 1ya8 s TRP 517 CO 0.23 -0.75 1.31 -1.25 -4.62 0.00 0.00 176.95 171.87 1ya8 s PRO 518 N 1.57 3.38 0.33 5.86 0.04 -1.26 -4.86 135.00 140.06 1ya8 s PRO 518 Ca 0.03 2.12 -0.26 0.00 0.04 0.00 0.00 61.00 62.93 1ya8 s PRO 518 Cb -0.22 -2.35 -0.10 0.00 0.04 0.00 0.00 34.50 31.87 1ya8 s PRO 518 CO 0.06 -0.96 0.98 -2.00 0.04 0.00 0.00 177.00 175.12 1ya8 s GLU 519 N -2.78 4.53 -0.60 4.56 2.12 -1.26 -4.62 118.70 120.65 1ya8 s GLU 519 Ca 0.68 1.42 -0.27 0.00 0.36 0.00 0.00 54.97 57.16 1ya8 s GLU 519 Cb -0.37 -2.82 0.03 0.00 0.26 0.00 0.00 34.13 31.23 1ya8 s GLU 519 CO 0.45 0.21 1.13 -0.47 -0.54 0.00 0.00 175.26 176.04 1ya8 s TYR 520 N -1.55 2.62 0.00 5.30 5.04 0.76 -4.09 117.35 125.42 1ya8 s TYR 520 Ca 0.50 0.21 0.00 0.00 -2.44 0.00 0.00 57.07 55.35 1ya8 s TYR 520 Cb -0.21 -4.41 0.00 0.00 0.35 0.00 0.00 41.96 37.69 1ya8 s TYR 520 CO 0.27 -1.59 0.00 0.27 -1.34 0.00 0.00 175.55 173.15 1ya8 n ASN 521 N 8.28 0.00 -0.25 4.32 0.23 -1.26 -4.43 115.26 122.15 1ya8 n ASN 521 Ca 0.06 0.00 -0.07 0.00 -0.53 0.00 0.00 54.58 54.04 1ya8 n ASN 521 Cb 0.48 0.00 0.05 0.00 -2.08 0.00 0.00 39.78 38.24 1ya8 n ASN 521 CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 1ya8 h GLN 522 N 0.00 1.13 0.00 -3.83 1.08 -2.01 -1.77 115.11 109.72 1ya8 h GLN 522 Ca 0.00 -0.27 0.00 0.00 -1.45 0.00 0.00 58.65 56.93 1ya8 h GLN 522 Cb 0.00 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.28 1ya8 h GLN 522 CO 0.00 1.00 0.00 0.87 -0.95 0.00 0.00 178.83 179.75 1ya8 h LYS 523 N 1.07 0.00 -5.95 1.46 6.56 -1.96 -3.46 116.57 114.30 1ya8 h LYS 523 Ca 0.22 0.00 -0.40 0.00 -1.06 0.00 0.00 60.65 59.41 1ya8 h LYS 523 Cb 0.37 0.00 0.09 0.00 -0.57 0.00 0.00 32.23 32.12 1ya8 h LYS 523 CO 0.00 0.00 -0.76 0.39 -2.06 0.00 0.00 179.45 177.03 1ya8 n GLU 524 N -2.66 -6.37 -2.61 3.15 1.02 -0.67 -4.00 120.64 108.51 1ya8 n GLU 524 Ca -0.00 0.73 -0.42 0.00 -0.02 0.00 0.00 57.16 57.45 1ya8 n GLU 524 Cb 0.16 -5.63 -0.03 0.00 -0.02 0.00 0.00 31.44 25.92 1ya8 n GLU 524 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1ya8 s GLY 525 N -3.85 2.80 0.25 0.62 0.00 -1.26 -0.67 107.32 105.22 1ya8 s GLY 525 Ca 0.31 0.67 0.01 0.00 0.00 0.00 0.00 44.72 45.71 1ya8 s GLY 525 CO 0.77 1.72 0.09 -2.52 0.00 0.00 0.00 173.10 173.16 1ya8 s TYR 526 N 0.56 1.53 -0.16 1.90 -0.85 0.05 -3.73 117.35 116.65 1ya8 s TYR 526 Ca 0.52 -1.17 -0.02 0.00 -0.52 0.00 0.00 57.07 55.88 1ya8 s TYR 526 Cb -0.25 -0.89 -0.02 0.00 0.38 0.00 0.00 41.96 41.18 1ya8 s TYR 526 CO 0.30 -0.32 -0.07 -1.17 -1.52 0.00 0.00 175.55 172.77 1ya8 s LEU 527 N -3.31 2.98 -0.19 -3.49 2.96 -0.90 -0.43 118.68 116.30 1ya8 s LEU 527 Ca 0.37 -0.26 -0.17 0.00 -0.22 0.00 0.00 54.13 53.85 1ya8 s LEU 527 Cb 0.08 -1.71 -0.04 0.00 0.50 0.00 0.00 46.19 45.02 1ya8 s LEU 527 CO 0.13 0.13 0.44 -1.10 -1.32 0.00 0.00 176.35 174.63 1ya8 s GLN 528 N 0.61 4.20 -0.09 1.98 -0.21 -0.71 -1.12 119.66 124.31 1ya8 s GLN 528 Ca -0.04 0.29 0.01 0.00 0.02 0.00 0.00 55.36 55.63 1ya8 s GLN 528 Cb -0.15 -3.53 -0.02 0.00 1.00 0.00 0.00 33.01 30.31 1ya8 s GLN 528 CO 0.03 -0.05 -0.12 0.42 -2.12 0.00 0.00 175.29 173.45 1ya8 s ILE 529 N 1.34 3.23 -2.06 1.08 1.01 -0.87 -1.89 121.20 123.03 1ya8 s ILE 529 Ca 0.21 -0.63 0.00 0.00 0.00 0.00 0.00 60.65 60.23 1ya8 s ILE 529 Cb -0.15 -2.32 0.00 0.00 0.01 0.00 0.00 42.46 40.00 1ya8 s ILE 529 CO 0.09 0.56 0.00 0.61 0.00 0.00 0.00 174.94 176.19 1ya8 n GLY 530 N 2.90 -0.67 0.22 6.18 0.00 -1.26 -0.86 105.19 111.70 1ya8 n GLY 530 Ca -0.18 -0.46 -0.01 0.00 0.00 0.00 0.00 46.02 45.38 1ya8 n GLY 530 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ya8 h ALA 531 N 0.00 0.58 -3.79 4.61 0.00 -1.97 -3.31 119.26 115.39 1ya8 h ALA 531 Ca 0.00 0.15 -0.67 0.00 0.00 0.00 0.00 54.91 54.39 1ya8 h ALA 531 Cb 0.00 0.24 -0.37 0.00 0.00 0.00 0.00 17.79 17.66 1ya8 h ALA 531 CO 0.00 -0.36 -0.77 1.21 0.00 0.00 0.00 179.25 179.33 1ya8 s ASN 532 N -5.27 4.56 -0.49 0.00 2.47 -1.26 -5.08 114.94 109.87 1ya8 s ASN 532 Ca -0.13 -1.48 -0.21 0.00 0.42 0.00 0.00 52.86 51.45 1ya8 s ASN 532 Cb 0.17 -1.59 0.04 0.00 -1.45 0.00 0.00 41.25 38.43 1ya8 s ASN 532 CO 0.73 -0.23 0.74 -0.89 -3.72 0.00 0.00 177.10 173.73 1ya8 s THR 533 N 1.10 4.70 0.04 -5.21 2.01 -1.25 -4.72 115.64 112.30 1ya8 s THR 533 Ca -0.06 0.00 0.01 0.00 0.31 0.00 0.00 61.69 61.96 1ya8 s THR 533 Cb -0.20 -4.34 -0.02 0.00 0.01 0.00 0.00 72.50 67.94 1ya8 s THR 533 CO -0.05 -0.82 -0.06 0.00 -0.69 0.00 0.00 174.62 173.00 1ya8 s GLN 534 N 3.13 0.45 0.46 4.92 -2.07 -0.79 -4.91 119.66 120.85 1ya8 s GLN 534 Ca 0.23 -0.72 -0.21 0.00 -1.82 0.00 0.00 55.36 52.84 1ya8 s GLN 534 Cb -0.15 -0.13 -0.09 0.00 -1.09 0.00 0.00 33.01 31.55 1ya8 s GLN 534 CO 0.17 0.01 1.02 0.00 -1.32 0.00 0.00 175.29 175.17 1ya8 s ALA 535 N -1.51 2.95 0.00 2.60 0.00 -1.26 -1.74 121.76 122.79 1ya8 s ALA 535 Ca -0.11 0.59 0.00 0.00 0.00 0.00 0.00 51.96 52.43 1ya8 s ALA 535 Cb -0.09 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.79 1ya8 s ALA 535 CO -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 175.76 175.55 1ya8 n ALA 536 N -0.71 0.00 -2.82 0.00 0.00 0.43 -4.89 120.51 112.52 1ya8 n ALA 536 Ca 0.08 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.42 1ya8 n ALA 536 Cb 0.52 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.91 1ya8 n ALA 536 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1ya8 s GLN 537 N -1.37 1.06 -0.62 0.00 -0.21 -1.26 -0.77 119.66 116.49 1ya8 s GLN 537 Ca 0.00 -0.93 -0.10 0.00 0.02 0.00 0.00 55.36 54.34 1ya8 s GLN 537 Cb 0.00 0.41 0.01 0.00 1.00 0.00 0.00 33.01 34.43 1ya8 s GLN 537 CO 0.00 -0.39 0.65 1.63 -2.12 0.00 0.00 175.29 175.06 1ya8 n LYS 538 N -0.18 -1.78 -2.70 2.91 5.02 0.16 -4.92 118.16 116.67 1ya8 n LYS 538 Ca -0.13 1.57 -0.42 0.00 -2.02 0.00 0.00 58.31 57.31 1ya8 n LYS 538 Cb 0.63 -4.67 -0.03 0.00 -0.02 0.00 0.00 35.03 30.94 1ya8 n LYS 538 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1ya8 s LEU 539 N -3.52 4.27 -0.59 -0.35 2.96 -1.26 -3.83 118.68 116.36 1ya8 s LEU 539 Ca 0.13 1.54 0.00 0.00 -0.22 0.00 0.00 54.13 55.58 1ya8 s LEU 539 Cb -0.03 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.12 1ya8 s LEU 539 CO 0.80 -0.40 0.00 0.29 -1.32 0.00 0.00 176.35 175.72 1ya8 n LYS 540 N 4.77 -2.38 0.01 1.98 4.76 -1.26 -4.83 118.16 121.21 1ya8 n LYS 540 Ca 0.08 0.34 -0.10 0.00 -2.87 0.00 0.00 58.31 55.75 1ya8 n LYS 540 Cb 0.49 -4.83 -0.04 0.00 -1.84 0.00 0.00 35.03 28.81 1ya8 n LYS 540 CO 0.00 0.00 0.00 0.22 -1.37 0.00 0.00 177.40 176.25 1ya8 h ASP 541 N 0.00 -0.23 0.28 4.39 1.82 -1.96 0.30 116.42 121.02 1ya8 h ASP 541 Ca -0.16 0.05 -0.01 0.00 -0.39 0.00 0.00 57.03 56.53 1ya8 h ASP 541 Cb 1.02 0.12 -0.01 0.00 0.68 0.00 0.00 39.33 41.14 1ya8 h ASP 541 CO 0.19 -0.10 -0.19 0.50 -1.61 0.00 0.00 179.24 178.03 1ya8 h LYS 542 N -0.08 -0.44 -0.48 0.28 3.64 -1.89 -2.20 116.57 115.40 1ya8 h LYS 542 Ca 0.06 0.03 0.10 0.00 -1.27 0.00 0.00 60.65 59.57 1ya8 h LYS 542 Cb 0.17 0.10 -0.10 0.00 -0.41 0.00 0.00 32.23 31.99 1ya8 h LYS 542 CO -0.14 -0.30 -0.21 0.93 -2.27 0.00 0.00 179.45 177.46 1ya8 h GLU 543 N -0.46 -0.10 -0.81 1.90 3.07 -1.84 0.04 114.58 116.37 1ya8 h GLU 543 Ca -0.02 0.01 0.06 0.00 -0.50 0.00 0.00 59.36 58.90 1ya8 h GLU 543 Cb 0.39 0.02 -0.06 0.00 -0.84 0.00 0.00 28.75 28.27 1ya8 h GLU 543 CO 0.01 -0.07 0.50 0.28 -1.40 0.00 0.00 179.01 178.33 1ya8 h VAL 544 N -0.11 1.04 0.79 3.13 2.07 -0.28 -2.39 116.25 120.51 1ya8 h VAL 544 Ca 0.23 -0.32 -0.04 0.00 0.82 0.00 0.00 66.70 67.39 1ya8 h VAL 544 Cb 0.46 0.04 0.01 0.00 -1.52 0.00 0.00 31.29 30.27 1ya8 h VAL 544 CO -0.55 0.17 -0.41 0.00 0.02 0.00 0.00 177.57 176.80 1ya8 h ALA 545 N 1.38 -1.28 -0.68 1.67 0.00 -0.42 0.12 119.26 120.05 1ya8 h ALA 545 Ca 0.35 -0.24 0.15 0.00 0.00 0.00 0.00 54.91 55.17 1ya8 h ALA 545 Cb 0.15 0.46 -0.12 0.00 0.00 0.00 0.00 17.79 18.28 1ya8 h ALA 545 CO -0.17 -1.21 -0.04 0.35 0.00 0.00 0.00 179.25 178.18 1ya8 h PHE 546 N -1.10 -0.13 -0.08 0.00 3.57 -0.97 -2.28 116.94 115.95 1ya8 h PHE 546 Ca -0.11 0.05 -0.17 0.00 3.53 0.00 0.00 57.97 61.28 1ya8 h PHE 546 Cb 0.85 0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.75 1ya8 h PHE 546 CO 0.01 -0.23 -0.67 -1.49 -2.23 0.00 0.00 178.31 173.70 1ya8 h TRP 547 N 0.08 0.46 -0.54 0.41 4.06 -1.38 -2.36 115.95 116.67 1ya8 h TRP 547 Ca 0.36 -0.19 0.09 0.00 2.06 0.00 0.00 58.89 61.20 1ya8 h TRP 547 Cb 0.59 -0.08 -0.03 0.00 -1.00 0.00 0.00 29.16 28.65 1ya8 h TRP 547 CO -0.44 0.92 0.36 1.15 -3.56 0.00 0.00 178.44 176.87 1ya8 h THR 548 N 0.25 0.91 0.00 1.49 2.02 -0.37 -2.35 112.91 114.85 1ya8 h THR 548 Ca -0.02 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.03 1ya8 h THR 548 Cb 1.22 0.51 0.00 0.00 -1.74 0.00 0.00 68.15 68.14 1ya8 h THR 548 CO 0.11 0.07 -0.01 0.78 0.37 0.00 0.00 175.52 176.84 1ya8 h ASN 549 N 0.37 0.00 -0.94 4.18 4.21 -1.42 -3.20 115.58 118.79 1ya8 h ASN 549 Ca 0.25 0.00 0.28 0.00 1.21 0.00 0.00 56.30 58.03 1ya8 h ASN 549 Cb 0.48 0.00 -0.17 0.00 -1.12 0.00 0.00 38.32 37.52 1ya8 h ASN 549 CO -0.06 0.43 0.18 0.25 -1.29 0.00 0.00 177.43 176.94 1ya8 h LEU 550 N -0.86 -0.18 -1.26 1.61 5.85 -1.38 0.60 115.31 119.70 1ya8 h LEU 550 Ca 0.00 0.24 -0.07 0.00 0.84 0.00 0.00 57.88 58.89 1ya8 h LEU 550 Cb 0.01 0.37 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 1ya8 h LEU 550 CO 0.00 -0.29 -0.35 -0.26 -0.34 0.00 0.00 178.44 177.20 1ya8 h PHE 551 N 0.09 0.00 0.00 1.25 0.05 -1.58 -1.19 116.94 115.56 1ya8 h PHE 551 Ca 0.61 0.00 0.00 0.00 3.82 0.00 0.00 57.97 62.40 1ya8 h PHE 551 Cb 1.32 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.27 1ya8 h PHE 551 CO -0.34 0.35 0.00 0.00 -0.18 0.00 0.00 178.31 178.14 1ya8 n ALA 552 N -2.40 2.27 -0.61 2.45 0.00 0.21 -5.12 120.51 117.30 1ya8 n ALA 552 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1ya8 n ALA 552 Cb 0.41 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.64 1ya8 n ALA 552 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13