#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 6.52 0.11 4.04 0.15 -1.26 -5.03 113.70 118.23 1ya8 s SER 22 Ca 0.00 0.60 -0.36 0.00 0.70 0.00 0.00 55.95 56.90 1ya8 s SER 22 Cb 0.00 -2.10 -0.16 0.00 -1.71 0.00 0.00 66.02 62.04 1ya8 s SER 22 CO 0.00 0.22 1.30 -2.65 1.20 0.00 0.00 173.24 173.32 1ya8 n PRO 23 N 0.99 1.19 -1.94 5.44 -0.02 -1.26 -4.91 135.00 134.49 1ya8 n PRO 23 Ca -0.10 0.43 -0.36 0.00 -2.02 0.00 0.00 63.50 61.45 1ya8 n PRO 23 Cb 0.53 -2.04 0.04 0.00 -0.02 0.00 0.00 33.50 32.01 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 0.27 2.90 -0.23 0.52 0.02 -1.23 -4.86 135.00 132.39 1ya8 s PRO 24 Ca 0.81 1.91 -0.03 0.00 0.02 0.00 0.00 61.00 63.71 1ya8 s PRO 24 Cb -0.92 -1.94 0.10 0.00 0.02 0.00 0.00 34.50 31.77 1ya8 s PRO 24 CO 0.48 -1.29 0.22 0.08 -0.33 0.00 0.00 177.00 176.17 1ya8 s VAL 25 N -1.52 -0.31 -0.06 3.83 1.01 -1.26 -1.95 120.40 120.14 1ya8 s VAL 25 Ca 0.78 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.52 1ya8 s VAL 25 Cb -0.33 -0.76 -0.03 0.00 0.00 0.00 0.00 36.38 35.26 1ya8 s VAL 25 CO 0.36 -0.30 -0.03 -0.69 0.00 0.00 0.00 175.10 174.43 1ya8 s VAL 26 N 2.31 4.01 -0.23 2.92 1.01 -0.84 -4.94 120.40 124.64 1ya8 s VAL 26 Ca 0.07 -0.42 -0.17 0.00 0.00 0.00 0.00 61.98 61.46 1ya8 s VAL 26 Cb -0.15 -2.69 -0.03 0.00 0.00 0.00 0.00 36.38 33.51 1ya8 s VAL 26 CO -0.18 0.56 0.48 -1.81 0.00 0.00 0.00 175.10 174.15 1ya8 s ASP 27 N -0.98 6.47 0.25 3.32 1.01 -1.26 -1.39 116.67 124.08 1ya8 s ASP 27 Ca 0.14 0.56 0.03 0.00 0.71 0.00 0.00 52.55 53.99 1ya8 s ASP 27 Cb -0.11 -2.27 0.03 0.00 1.01 0.00 0.00 42.92 41.58 1ya8 s ASP 27 CO 0.03 -0.19 0.27 0.35 0.21 0.00 0.00 175.17 175.84 1ya8 n THR 28 N 4.74 0.00 -0.00 -1.27 -2.24 0.13 -4.90 114.28 110.74 1ya8 n THR 28 Ca -0.06 -0.93 -0.06 0.00 -2.27 0.00 0.00 64.05 60.73 1ya8 n THR 28 Cb 0.50 -0.51 0.14 0.00 -2.10 0.00 0.00 70.33 68.36 1ya8 n THR 28 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1ya8 h VAL 29 N 0.33 1.29 -0.70 2.28 2.07 -1.97 -3.09 116.25 116.47 1ya8 h VAL 29 Ca -0.14 -1.46 0.00 0.00 0.82 0.00 0.00 66.70 65.92 1ya8 h VAL 29 Cb 0.57 1.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.81 1ya8 h VAL 29 CO 0.21 0.46 0.00 1.41 0.02 0.00 0.00 177.57 179.68 1ya8 n HIS 30 N -4.06 1.15 -0.04 1.57 8.25 -1.26 -5.03 115.22 115.80 1ya8 n HIS 30 Ca -0.01 -0.54 0.00 0.00 -0.26 0.00 0.00 57.72 56.91 1ya8 n HIS 30 Cb 0.47 -0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.50 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 1.44 0.70 3.83 -1.41 0.00 -1.17 -0.70 105.19 107.89 1ya8 n GLY 31 Ca 0.25 -1.89 -0.38 0.00 0.00 0.00 0.00 46.02 44.00 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 -1.18 3.99 -0.04 1.61 1.02 -1.24 0.19 119.74 124.09 1ya8 s LYS 32 Ca 0.00 0.49 0.07 0.00 0.02 0.00 0.00 55.97 56.55 1ya8 s LYS 32 Cb 0.00 -3.18 -0.01 0.00 -0.52 0.00 0.00 37.83 34.11 1ya8 s LYS 32 CO 0.00 0.65 -0.24 0.14 -0.92 0.00 0.00 175.35 174.97 1ya8 s VAL 33 N -1.15 1.96 -0.23 3.17 -7.23 -0.49 0.61 120.40 117.04 1ya8 s VAL 33 Ca 0.27 -1.04 -0.05 0.00 -1.81 0.00 0.00 61.98 59.35 1ya8 s VAL 33 Cb -0.17 -1.65 -0.01 0.00 0.56 0.00 0.00 36.38 35.11 1ya8 s VAL 33 CO 0.16 0.55 -0.02 -0.22 -0.31 0.00 0.00 175.10 175.26 1ya8 s LEU 34 N -0.37 3.03 0.00 1.32 1.98 0.41 -1.98 118.68 123.07 1ya8 s LEU 34 Ca 0.03 -0.37 0.00 0.00 -2.89 0.00 0.00 54.13 50.91 1ya8 s LEU 34 Cb -0.11 -1.78 0.00 0.00 0.66 0.00 0.00 46.19 44.96 1ya8 s LEU 34 CO 0.01 -0.03 0.00 0.61 -1.89 0.00 0.00 176.35 175.05 1ya8 n GLY 35 N 4.82 5.11 3.21 7.98 0.00 -0.82 -1.17 105.19 124.31 1ya8 n GLY 35 Ca -0.18 -2.10 -0.15 0.00 0.00 0.00 0.00 46.02 43.59 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 -0.05 0.93 0.04 1.61 -2.85 -0.75 -3.52 119.74 115.15 1ya8 s LYS 36 Ca 0.00 -1.24 -0.07 0.00 -1.00 0.00 0.00 55.97 53.65 1ya8 s LYS 36 Cb 0.00 -0.62 -0.05 0.00 -2.06 0.00 0.00 37.83 35.10 1ya8 s LYS 36 CO 0.00 0.10 0.32 -0.06 0.10 0.00 0.00 175.35 175.81 1ya8 s PHE 37 N -2.61 3.57 -0.05 1.78 0.40 -1.26 0.47 117.98 120.28 1ya8 s PHE 37 Ca 0.09 0.64 -0.03 0.00 -0.60 0.00 0.00 56.93 57.02 1ya8 s PHE 37 Cb -0.02 -2.04 0.02 0.00 0.51 0.00 0.00 43.02 41.49 1ya8 s PHE 37 CO 0.01 0.57 0.12 0.08 0.70 0.00 0.00 175.22 176.69 1ya8 s VAL 38 N -1.37 -0.03 -0.14 -0.44 1.01 0.43 -4.94 120.40 114.93 1ya8 s VAL 38 Ca 0.31 0.09 -0.04 0.00 0.00 0.00 0.00 61.98 62.34 1ya8 s VAL 38 Cb -0.13 -0.19 -0.03 0.00 0.00 0.00 0.00 36.38 36.02 1ya8 s VAL 38 CO 0.18 0.04 0.01 -0.44 0.00 0.00 0.00 175.10 174.89 1ya8 s SER 39 N 0.62 5.25 0.03 3.32 0.01 -1.26 -1.09 113.70 120.58 1ya8 s SER 39 Ca -0.05 0.04 -0.07 0.00 1.31 0.00 0.00 55.95 57.18 1ya8 s SER 39 Cb -0.06 -1.76 -0.05 0.00 0.21 0.00 0.00 66.02 64.36 1ya8 s SER 39 CO -0.03 0.24 0.30 -0.22 0.41 0.00 0.00 173.24 173.95 1ya8 s LEU 40 N -0.06 4.36 0.00 2.44 2.96 -1.26 -5.01 118.68 122.11 1ya8 s LEU 40 Ca 0.04 0.61 0.00 0.00 -0.22 0.00 0.00 54.13 54.56 1ya8 s LEU 40 Cb -0.13 -2.78 0.00 0.00 0.50 0.00 0.00 46.19 43.79 1ya8 s LEU 40 CO 0.02 0.22 0.00 1.21 -1.32 0.00 0.00 176.35 176.48 1ya8 n GLU 41 N 1.02 0.00 -0.50 1.98 4.07 -1.26 -1.17 120.64 124.77 1ya8 n GLU 41 Ca -0.10 0.00 0.08 0.00 -0.06 0.00 0.00 57.16 57.08 1ya8 n GLU 41 Cb 0.53 0.00 0.28 0.00 -0.06 0.00 0.00 31.44 32.19 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 -0.01 3.49 3.70 8.31 0.00 -1.26 -4.98 105.19 114.44 1ya8 n GLY 42 Ca 0.00 -0.89 -0.39 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.40 3.48 0.14 1.61 0.40 -0.31 -4.96 117.98 115.94 1ya8 s PHE 43 Ca 0.43 0.97 -0.03 0.00 -0.60 0.00 0.00 56.93 57.70 1ya8 s PHE 43 Cb 0.32 -2.69 -0.06 0.00 0.51 0.00 0.00 43.02 41.10 1ya8 s PHE 43 CO 0.13 0.03 1.33 0.00 0.70 0.00 0.00 175.22 177.42 1ya8 h ALA 44 N 7.00 0.41 -2.01 5.36 0.00 -1.94 -3.42 119.26 124.67 1ya8 h ALA 44 Ca -0.38 -0.70 -0.59 0.00 0.00 0.00 0.00 54.91 53.25 1ya8 h ALA 44 Cb 1.17 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.84 1ya8 h ALA 44 CO 0.76 0.82 0.65 -1.14 0.00 0.00 0.00 179.25 180.34 1ya8 s GLN 45 N -3.30 3.86 0.92 0.00 2.00 -1.26 -5.03 119.66 116.85 1ya8 s GLN 45 Ca -0.05 0.63 -0.12 0.00 -2.00 0.00 0.00 55.36 53.82 1ya8 s GLN 45 Cb 0.09 -3.80 0.14 0.00 0.80 0.00 0.00 33.01 30.24 1ya8 s GLN 45 CO 0.86 -0.97 1.10 -1.25 -0.50 0.00 0.00 175.29 174.53 1ya8 s PRO 46 N 3.55 1.10 -0.12 1.67 0.04 -1.26 -4.87 135.00 135.11 1ya8 s PRO 46 Ca 0.40 0.59 -0.00 0.00 0.04 0.00 0.00 61.00 62.03 1ya8 s PRO 46 Cb -0.12 -1.81 -0.02 0.00 0.04 0.00 0.00 34.50 32.59 1ya8 s PRO 46 CO 0.19 -2.29 -0.11 0.08 0.04 0.00 0.00 177.00 174.91 1ya8 s VAL 47 N -3.04 3.26 -0.02 -0.36 1.01 -0.25 -4.79 120.40 116.20 1ya8 s VAL 47 Ca 0.64 -0.60 -0.24 0.00 0.00 0.00 0.00 61.98 61.78 1ya8 s VAL 47 Cb -0.17 -2.36 -0.05 0.00 0.00 0.00 0.00 36.38 33.81 1ya8 s VAL 47 CO 0.56 0.54 0.71 0.00 0.00 0.00 0.00 175.10 176.91 1ya8 s ALA 48 N 0.07 3.37 -0.12 5.51 0.00 -0.70 -0.43 121.76 129.45 1ya8 s ALA 48 Ca -0.04 0.18 0.02 0.00 0.00 0.00 0.00 51.96 52.12 1ya8 s ALA 48 Cb -0.14 -2.95 0.01 0.00 0.00 0.00 0.00 23.12 20.04 1ya8 s ALA 48 CO 0.04 -0.00 -0.19 0.42 0.00 0.00 0.00 175.76 176.03 1ya8 s ILE 49 N 0.34 1.78 -0.13 0.00 1.01 0.18 -2.17 121.20 122.22 1ya8 s ILE 49 Ca 0.37 -0.82 0.02 0.00 0.00 0.00 0.00 60.65 60.22 1ya8 s ILE 49 Cb -0.19 -1.59 -0.00 0.00 0.01 0.00 0.00 42.46 40.69 1ya8 s ILE 49 CO 0.20 0.50 -0.19 -0.36 0.00 0.00 0.00 174.94 175.09 1ya8 s PHE 50 N 0.82 2.69 -0.12 3.97 0.40 -0.60 -1.82 117.98 123.33 1ya8 s PHE 50 Ca -0.09 -1.00 0.03 0.00 -0.60 0.00 0.00 56.93 55.27 1ya8 s PHE 50 Cb -0.16 -1.80 0.00 0.00 0.51 0.00 0.00 43.02 41.58 1ya8 s PHE 50 CO -0.00 -0.42 -0.22 -0.51 0.70 0.00 0.00 175.22 174.77 1ya8 s LEU 51 N 0.54 2.16 -0.03 -0.37 1.43 0.54 -0.74 118.68 122.20 1ya8 s LEU 51 Ca -0.12 -0.56 -0.00 0.00 -1.03 0.00 0.00 54.13 52.42 1ya8 s LEU 51 Cb -0.16 -1.44 0.00 0.00 0.03 0.00 0.00 46.19 44.61 1ya8 s LEU 51 CO 0.04 0.13 0.02 0.61 0.23 0.00 0.00 176.35 177.38 1ya8 n GLY 52 N 3.73 0.75 3.67 -3.19 0.00 -1.17 -3.45 105.19 105.54 1ya8 n GLY 52 Ca -0.19 -0.73 -0.43 0.00 0.00 0.00 0.00 46.02 44.67 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 -2.71 4.62 0.25 -0.61 1.01 -0.72 -4.79 121.20 118.25 1ya8 s ILE 53 Ca 0.01 1.93 -0.30 0.00 0.00 0.00 0.00 60.65 62.29 1ya8 s ILE 53 Cb -0.00 -4.24 -0.09 0.00 0.01 0.00 0.00 42.46 38.13 1ya8 s ILE 53 CO 0.01 -0.09 1.12 -2.16 0.00 0.00 0.00 174.94 173.81 1ya8 s PRO 54 N 2.74 4.61 0.00 2.79 0.04 -1.26 -1.32 135.00 142.60 1ya8 s PRO 54 Ca 0.48 1.81 0.01 0.00 0.04 0.00 0.00 61.00 63.34 1ya8 s PRO 54 Cb -0.18 -3.21 0.03 0.00 0.04 0.00 0.00 34.50 31.19 1ya8 s PRO 54 CO 0.13 0.14 1.01 1.97 0.04 0.00 0.00 177.00 180.29 1ya8 n PHE 55 N 1.53 0.05 -3.78 0.56 1.16 -0.94 -4.95 117.46 111.08 1ya8 n PHE 55 Ca 0.00 -0.49 -0.04 0.00 -1.87 0.00 0.00 57.45 55.05 1ya8 n PHE 55 Cb 0.45 -0.05 -0.01 0.00 -1.61 0.00 0.00 39.48 38.26 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 -0.97 -1.54 0.14 1.98 0.00 -1.25 -4.54 121.76 115.58 1ya8 s ALA 56 Ca 0.02 -0.00 -0.29 0.00 0.00 0.00 0.00 51.96 51.69 1ya8 s ALA 56 Cb 0.01 0.69 -0.07 0.00 0.00 0.00 0.00 23.12 23.76 1ya8 s ALA 56 CO 0.02 -1.04 0.92 0.21 0.00 0.00 0.00 175.76 175.87 1ya8 s LYS 57 N -3.42 4.71 -0.31 0.00 2.20 0.85 -4.43 119.74 119.33 1ya8 s LYS 57 Ca 0.12 1.40 -0.39 0.00 -0.36 0.00 0.00 55.97 56.74 1ya8 s LYS 57 Cb -0.03 -3.34 -0.15 0.00 -1.51 0.00 0.00 37.83 32.80 1ya8 s LYS 57 CO 0.04 0.32 1.90 -2.30 -0.36 0.00 0.00 175.35 174.95 1ya8 n PRO 58 N 2.39 1.07 -0.69 4.03 -0.02 -1.26 -4.61 135.00 135.91 1ya8 n PRO 58 Ca 0.00 0.37 -0.21 0.00 -2.02 0.00 0.00 63.50 61.63 1ya8 n PRO 58 Cb 0.49 -2.16 -0.02 0.00 -0.02 0.00 0.00 33.50 31.78 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 6.35 1.80 -3.54 0.52 -0.04 -1.26 -4.88 135.00 133.94 1ya8 n PRO 59 Ca 0.33 -1.38 -0.21 0.00 -0.04 0.00 0.00 63.50 62.20 1ya8 n PRO 59 Cb 0.15 -2.44 -0.03 0.00 -0.04 0.00 0.00 33.50 31.14 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 0.17 3.36 0.00 1.53 1.43 -1.26 -3.93 118.68 119.98 1ya8 s LEU 60 Ca 0.37 -0.76 0.00 0.00 -1.03 0.00 0.00 54.13 52.71 1ya8 s LEU 60 Cb 0.09 -2.03 0.00 0.00 0.03 0.00 0.00 46.19 44.28 1ya8 s LEU 60 CO -0.02 -0.70 0.00 0.61 0.23 0.00 0.00 176.35 176.48 1ya8 n GLY 61 N -1.59 3.13 0.31 -3.19 0.00 -1.26 -0.61 105.19 101.98 1ya8 n GLY 61 Ca 0.04 0.01 0.18 0.00 0.00 0.00 0.00 46.02 46.25 1ya8 n GLY 61 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ya8 h PRO 62 N 0.00 0.00 0.00 1.61 0.13 -1.94 -2.51 132.00 129.29 1ya8 h PRO 62 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1ya8 h PRO 62 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1ya8 h PRO 62 CO 0.00 0.03 0.00 1.28 -0.23 0.00 0.00 178.00 179.08 1ya8 n LEU 63 N -3.32 0.00 -4.75 1.56 4.77 0.22 -4.74 117.00 110.74 1ya8 n LEU 63 Ca -0.02 0.47 -0.41 0.00 -0.03 0.00 0.00 56.01 56.02 1ya8 n LEU 63 Cb 0.15 -0.47 -0.03 0.00 -2.33 0.00 0.00 43.42 40.75 1ya8 n LEU 63 CO 0.25 -0.27 0.97 -0.60 -1.33 0.00 0.00 177.39 176.41 1ya8 s ARG 64 N -2.94 4.39 -1.13 3.23 3.52 -0.95 -2.50 118.95 122.57 1ya8 s ARG 64 Ca 0.07 2.10 0.00 0.00 -0.13 0.00 0.00 55.73 57.76 1ya8 s ARG 64 Cb 0.08 -3.15 0.00 0.00 -1.56 0.00 0.00 34.95 30.32 1ya8 s ARG 64 CO 0.22 -0.20 0.00 1.19 -0.81 0.00 0.00 175.30 175.70 1ya8 n PHE 65 N 1.97 -0.59 -4.14 5.12 3.72 -1.26 -5.00 117.46 117.27 1ya8 n PHE 65 Ca 0.04 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.30 1ya8 n PHE 65 Cb 0.42 -2.85 -0.11 0.00 -0.94 0.00 0.00 39.48 36.01 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 -2.65 0.80 0.68 4.37 -4.23 -1.04 -4.86 115.64 108.71 1ya8 s THR 66 Ca 0.00 -1.48 -0.17 0.00 -1.18 0.00 0.00 61.69 58.86 1ya8 s THR 66 Cb 0.00 -1.15 -0.03 0.00 1.34 0.00 0.00 72.50 72.66 1ya8 s THR 66 CO 0.00 -0.52 0.70 -2.65 -0.54 0.00 0.00 174.62 171.61 1ya8 n PRO 67 N 0.82 0.46 -2.23 3.99 -0.02 -1.26 -4.90 135.00 131.85 1ya8 n PRO 67 Ca -0.18 0.20 -0.36 0.00 -2.02 0.00 0.00 63.50 61.14 1ya8 n PRO 67 Cb 0.57 -1.96 -0.00 0.00 -0.02 0.00 0.00 33.50 32.09 1ya8 n PRO 67 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1ya8 s PRO 68 N -2.82 3.54 0.27 0.52 0.04 -1.26 -5.04 135.00 130.24 1ya8 s PRO 68 Ca 0.70 1.72 0.11 0.00 0.04 0.00 0.00 61.00 63.57 1ya8 s PRO 68 Cb -0.37 -2.21 -0.05 0.00 0.04 0.00 0.00 34.50 31.91 1ya8 s PRO 68 CO 0.54 -0.72 -0.10 -0.65 0.04 0.00 0.00 177.00 176.10 1ya8 s GLN 69 N -2.97 1.98 0.80 4.56 -0.21 -1.26 -4.99 119.66 117.56 1ya8 s GLN 69 Ca 0.68 -1.58 -0.15 0.00 0.02 0.00 0.00 55.36 54.34 1ya8 s GLN 69 Cb -0.27 -1.97 -0.00 0.00 1.00 0.00 0.00 33.01 31.77 1ya8 s GLN 69 CO 0.32 0.35 0.59 -2.30 -2.12 0.00 0.00 175.29 172.13 1ya8 n PRO 70 N -0.70 0.12 -3.25 2.91 -0.02 -1.26 -0.11 135.00 132.68 1ya8 n PRO 70 Ca -0.06 0.09 -0.33 0.00 -2.02 0.00 0.00 63.50 61.18 1ya8 n PRO 70 Cb 0.59 -1.93 -0.06 0.00 -0.02 0.00 0.00 33.50 32.09 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 -2.08 3.44 -0.01 3.55 0.00 -1.26 -2.96 121.76 122.44 1ya8 s ALA 71 Ca 0.64 -0.07 -0.30 0.00 0.00 0.00 0.00 51.96 52.23 1ya8 s ALA 71 Cb -0.30 -2.63 -0.04 0.00 0.00 0.00 0.00 23.12 20.15 1ya8 s ALA 71 CO 0.60 0.41 1.17 -1.21 0.00 0.00 0.00 175.76 176.73 1ya8 s GLU 72 N -2.70 4.40 0.28 0.00 0.41 -1.26 -4.92 118.70 114.91 1ya8 s GLU 72 Ca 0.49 1.67 -0.30 0.00 -0.41 0.00 0.00 54.97 56.42 1ya8 s GLU 72 Cb -0.12 -3.48 -0.11 0.00 -1.78 0.00 0.00 34.13 28.64 1ya8 s GLU 72 CO 0.19 -0.34 1.59 -1.25 -0.49 0.00 0.00 175.26 174.96 1ya8 s PRO 73 N 1.73 4.13 0.21 0.39 0.04 -1.26 -5.02 135.00 135.23 1ya8 s PRO 73 Ca 0.56 2.56 0.02 0.00 0.04 0.00 0.00 61.00 64.18 1ya8 s PRO 73 Cb -0.26 -3.03 -0.04 0.00 0.04 0.00 0.00 34.50 31.22 1ya8 s PRO 73 CO 0.25 -0.63 0.37 1.67 0.04 0.00 0.00 177.00 178.70 1ya8 s TRP 74 N 0.08 3.48 -0.04 0.56 -2.14 0.12 -5.03 118.94 115.97 1ya8 s TRP 74 Ca 0.64 0.19 -0.10 0.00 2.66 0.00 0.00 56.10 59.49 1ya8 s TRP 74 Cb -0.48 -1.73 -0.31 0.00 -3.10 0.00 0.00 33.47 27.86 1ya8 s TRP 74 CO 0.47 0.40 0.70 0.77 -2.66 0.00 0.00 176.95 176.63 1ya8 h SER 75 N 1.67 0.60 0.00 -2.66 0.02 -1.95 -3.41 113.55 107.81 1ya8 h SER 75 Ca -0.49 -0.88 0.00 0.00 -0.84 0.00 0.00 61.79 59.58 1ya8 h SER 75 Cb 1.21 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.55 1ya8 h SER 75 CO 0.66 1.74 0.00 0.49 -1.14 0.00 0.00 176.83 178.57 1ya8 n PHE 76 N -3.57 0.00 -3.96 3.45 3.01 -1.26 -4.97 117.46 110.16 1ya8 n PHE 76 Ca -0.23 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 57.87 1ya8 n PHE 76 Cb 1.07 0.00 -0.11 0.00 -0.01 0.00 0.00 39.48 40.43 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 4.02 4.42 -0.20 -4.37 1.01 -1.26 -3.73 120.40 120.29 1ya8 s VAL 77 Ca 0.00 -0.15 -0.17 0.00 0.00 0.00 0.00 61.98 61.66 1ya8 s VAL 77 Cb 0.00 -3.02 -0.04 0.00 0.00 0.00 0.00 36.38 33.33 1ya8 s VAL 77 CO 0.00 0.41 0.46 -0.75 0.00 0.00 0.00 175.10 175.21 1ya8 s LYS 78 N 0.96 4.19 -0.74 2.72 2.20 0.20 -4.91 119.74 124.36 1ya8 s LYS 78 Ca 0.03 0.31 -0.27 0.00 -0.36 0.00 0.00 55.97 55.68 1ya8 s LYS 78 Cb -0.14 -3.54 0.03 0.00 -1.51 0.00 0.00 37.83 32.67 1ya8 s LYS 78 CO 0.03 -0.08 1.30 -0.80 -0.36 0.00 0.00 175.35 175.43 1ya8 s ASN 79 N 1.08 6.14 -1.32 1.43 -0.87 -1.26 -0.44 114.94 119.69 1ya8 s ASN 79 Ca 0.22 -0.44 -0.08 0.00 -1.57 0.00 0.00 52.86 50.98 1ya8 s ASN 79 Cb -0.15 -2.56 0.13 0.00 -0.02 0.00 0.00 41.25 38.65 1ya8 s ASN 79 CO 0.09 -1.85 2.12 0.00 -2.57 0.00 0.00 177.10 174.88 1ya8 n ALA 80 N 9.47 5.96 -1.79 0.60 0.00 -0.32 -4.59 120.51 129.84 1ya8 n ALA 80 Ca 0.04 -4.18 0.05 0.00 0.00 0.00 0.00 53.44 49.35 1ya8 n ALA 80 Cb 0.49 -2.97 0.09 0.00 0.00 0.00 0.00 19.45 17.06 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 2.93 1.00 -3.80 0.00 -2.24 -1.22 -0.34 114.28 110.61 1ya8 n THR 81 Ca 0.50 -1.59 -0.15 0.00 -2.27 0.00 0.00 64.05 60.54 1ya8 n THR 81 Cb 0.32 0.26 -0.16 0.00 -2.10 0.00 0.00 70.33 68.65 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 -2.25 0.08 0.13 3.42 0.01 -1.25 -4.96 113.70 108.89 1ya8 s SER 82 Ca 0.25 0.03 -0.35 0.00 1.31 0.00 0.00 55.95 57.19 1ya8 s SER 82 Cb 0.25 -0.06 -0.15 0.00 0.21 0.00 0.00 66.02 66.27 1ya8 s SER 82 CO -0.05 -0.10 1.46 -1.22 0.41 0.00 0.00 173.24 173.74 1ya8 n TYR 83 N 3.95 1.92 -1.30 2.43 4.01 -1.26 -4.11 117.16 122.80 1ya8 n TYR 83 Ca -0.25 0.44 -0.30 0.00 -0.16 0.00 0.00 57.90 57.64 1ya8 n TYR 83 Cb 0.52 -2.44 0.22 0.00 -0.31 0.00 0.00 39.34 37.32 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 0.63 -0.56 0.41 -0.72 0.04 -1.26 -4.96 135.00 128.58 1ya8 s PRO 84 Ca 0.80 -0.07 -0.18 0.00 0.04 0.00 0.00 61.00 61.59 1ya8 s PRO 84 Cb -0.80 -1.67 -0.10 0.00 0.04 0.00 0.00 34.50 31.97 1ya8 s PRO 84 CO 0.42 -3.27 0.88 -2.14 0.04 0.00 0.00 177.00 172.93 1ya8 s PRO 85 N -5.46 4.10 0.19 0.56 0.02 -1.26 -4.76 135.00 128.38 1ya8 s PRO 85 Ca 0.71 0.93 -0.15 0.00 0.02 0.00 0.00 61.00 62.50 1ya8 s PRO 85 Cb -0.09 -2.26 -0.07 0.00 0.02 0.00 0.00 34.50 32.09 1ya8 s PRO 85 CO 0.55 -0.00 0.61 0.00 -0.33 0.00 0.00 177.00 177.83 1ya8 s MET 86 N -3.26 4.03 0.56 5.54 0.23 -0.31 -4.66 119.30 121.43 1ya8 s MET 86 Ca 0.59 0.58 -0.20 0.00 -1.03 0.00 0.00 55.69 55.63 1ya8 s MET 86 Cb -0.10 -2.85 -0.06 0.00 -1.53 0.00 0.00 34.83 30.29 1ya8 s MET 86 CO 0.17 0.42 0.98 0.00 -2.03 0.00 0.00 175.02 174.56 1ya8 n THR 88 N -1.41 0.40 -3.85 0.00 -1.04 -1.13 -4.69 114.28 102.55 1ya8 n THR 88 Ca 0.12 -0.10 -0.06 0.00 -2.04 0.00 0.00 64.05 61.98 1ya8 n THR 88 Cb 0.45 -0.79 0.02 0.00 -1.82 0.00 0.00 70.33 68.20 1ya8 n THR 88 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ya8 s GLN 89 N 0.08 1.76 -0.23 -2.82 -2.07 -1.26 -4.67 119.66 110.46 1ya8 s GLN 89 Ca 0.80 -1.14 -0.29 0.00 -1.82 0.00 0.00 55.36 52.91 1ya8 s GLN 89 Cb -0.92 0.49 -0.03 0.00 -1.09 0.00 0.00 33.01 31.45 1ya8 s GLN 89 CO 0.50 -0.83 1.75 0.34 -1.32 0.00 0.00 175.29 175.73 1ya8 s ASP 90 N -3.29 6.15 0.40 12.60 -1.08 -1.26 -4.88 116.67 125.31 1ya8 s ASP 90 Ca 0.20 1.64 0.07 0.00 -0.52 0.00 0.00 52.55 53.93 1ya8 s ASP 90 Cb -0.04 -2.53 0.81 0.00 -1.46 0.00 0.00 42.92 39.70 1ya8 s ASP 90 CO 0.08 -1.44 2.01 1.55 0.52 0.00 0.00 175.17 177.89 1ya8 h PRO 91 N 11.76 0.49 0.53 4.34 0.13 -1.99 0.33 132.00 147.59 1ya8 h PRO 91 Ca -0.36 -0.05 -0.03 0.00 -0.87 0.00 0.00 66.00 64.70 1ya8 h PRO 91 Cb 1.17 -0.10 0.01 0.00 0.13 0.00 0.00 31.00 32.21 1ya8 h PRO 91 CO 1.00 0.39 -0.25 -0.22 -0.23 0.00 0.00 178.00 178.69 1ya8 h LYS 92 N 0.50 -0.68 -0.90 0.86 3.64 -2.00 -1.13 116.57 116.86 1ya8 h LYS 92 Ca 0.13 0.05 0.11 0.00 -1.27 0.00 0.00 60.65 59.66 1ya8 h LYS 92 Cb 0.07 0.16 -0.08 0.00 -0.41 0.00 0.00 32.23 31.96 1ya8 h LYS 92 CO -0.02 -0.46 0.54 0.00 -2.27 0.00 0.00 179.45 177.24 1ya8 h ALA 93 N -1.48 1.33 -0.22 5.00 0.00 -1.95 -1.26 119.26 120.67 1ya8 h ALA 93 Ca -0.07 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1ya8 h ALA 93 Cb 0.54 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1ya8 h ALA 93 CO 0.12 0.14 0.12 0.78 0.00 0.00 0.00 179.25 180.41 1ya8 h GLY 94 N 0.87 0.33 0.96 0.00 0.00 -0.34 -1.15 103.07 103.75 1ya8 h GLY 94 Ca 0.44 -0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.61 1ya8 h GLY 94 CO -0.26 0.15 0.22 1.46 0.00 0.00 0.00 176.54 178.10 1ya8 h GLN 95 N 0.25 0.63 -0.22 4.80 1.08 -0.66 -2.36 115.11 118.62 1ya8 h GLN 95 Ca 0.08 -0.09 0.04 0.00 -1.45 0.00 0.00 58.65 57.23 1ya8 h GLN 95 Cb 0.07 -0.12 -0.04 0.00 -0.05 0.00 0.00 27.48 27.35 1ya8 h GLN 95 CO -0.01 0.53 -0.06 1.25 -0.95 0.00 0.00 178.83 179.59 1ya8 h LEU 96 N 0.57 -0.21 -0.53 1.46 5.85 -0.97 -0.40 115.31 121.08 1ya8 h LEU 96 Ca 0.15 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.92 1ya8 h LEU 96 Cb 0.11 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 1ya8 h LEU 96 CO -0.02 -0.07 0.27 0.25 -0.34 0.00 0.00 178.44 178.53 1ya8 h LEU 97 N 0.00 0.68 -1.42 2.25 5.85 -1.14 -1.42 115.31 120.11 1ya8 h LEU 97 Ca 0.11 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1ya8 h LEU 97 Cb 0.16 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 1ya8 h LEU 97 CO -0.23 0.60 0.35 -1.28 -0.34 0.00 0.00 178.44 177.54 1ya8 h SER 98 N 0.72 0.64 0.19 1.25 0.87 -0.98 -0.68 113.55 115.55 1ya8 h SER 98 Ca 0.19 -0.02 -0.18 0.00 -1.23 0.00 0.00 61.79 60.54 1ya8 h SER 98 Cb 0.09 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 61.88 1ya8 h SER 98 CO -0.03 0.48 -0.70 -0.33 -0.53 0.00 0.00 176.83 175.72 1ya8 h GLU 99 N 0.75 0.46 -0.04 2.24 5.08 -0.55 -1.48 114.58 121.05 1ya8 h GLU 99 Ca 0.20 -0.36 -0.18 0.00 -1.00 0.00 0.00 59.36 58.02 1ya8 h GLU 99 Cb -0.06 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1ya8 h GLU 99 CO -0.04 0.99 -0.76 -0.07 -1.00 0.00 0.00 179.01 178.13 1ya8 h LEU 100 N 0.32 0.31 0.00 1.33 3.38 -0.65 -3.35 115.31 116.65 1ya8 h LEU 100 Ca -0.03 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.68 1ya8 h LEU 100 Cb 1.27 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 1ya8 h LEU 100 CO 0.12 0.96 -1.88 0.49 0.09 0.00 0.00 178.44 178.23 1ya8 n PHE 101 N -3.77 0.18 -1.65 1.13 3.72 -0.32 -4.96 117.46 111.79 1ya8 n PHE 101 Ca -0.03 0.05 -0.40 0.00 -0.05 0.00 0.00 57.45 57.02 1ya8 n PHE 101 Cb 0.72 -0.64 0.03 0.00 -0.94 0.00 0.00 39.48 38.65 1ya8 n PHE 101 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 1ya8 n THR 102 N -2.39 3.01 0.22 4.37 5.66 -0.56 -4.90 114.28 119.69 1ya8 n THR 102 Ca -0.07 -0.50 0.06 0.00 -3.05 0.00 0.00 64.05 60.49 1ya8 n THR 102 Cb 0.64 -1.31 0.09 0.00 -1.55 0.00 0.00 70.33 68.20 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 -0.13 2.38 -4.92 1.09 6.94 -1.26 -4.99 115.26 114.38 1ya8 n ASN 103 Ca 0.10 -1.69 -0.27 0.00 -0.02 0.00 0.00 54.58 52.70 1ya8 n ASN 103 Cb 0.42 -0.10 -0.02 0.00 -2.36 0.00 0.00 39.78 37.72 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 -0.99 3.58 0.08 -3.83 1.70 -1.26 -4.31 118.95 113.92 1ya8 s ARG 104 Ca 0.18 -0.08 -0.28 0.00 -0.47 0.00 0.00 55.73 55.08 1ya8 s ARG 104 Cb 0.11 -2.63 -0.12 0.00 -0.57 0.00 0.00 34.95 31.74 1ya8 s ARG 104 CO 0.15 0.15 1.44 1.57 -1.08 0.00 0.00 175.30 177.54 1ya8 h LYS 105 N 1.25 -0.62 -5.83 3.89 2.10 -1.95 -3.42 116.57 111.99 1ya8 h LYS 105 Ca -0.48 0.04 -0.67 0.00 -2.00 0.00 0.00 60.65 57.54 1ya8 h LYS 105 Cb 1.20 0.14 -0.10 0.00 -0.90 0.00 0.00 32.23 32.58 1ya8 h LYS 105 CO 0.64 -0.42 -0.54 -1.83 -2.00 0.00 0.00 179.45 175.31 1ya8 s GLU 106 N -5.22 3.24 0.28 0.07 -1.05 -1.26 -5.03 118.70 109.72 1ya8 s GLU 106 Ca -0.13 -0.30 -0.28 0.00 -0.15 0.00 0.00 54.97 54.10 1ya8 s GLU 106 Cb 0.04 -3.00 -0.09 0.00 -0.44 0.00 0.00 34.13 30.64 1ya8 s GLU 106 CO 0.48 0.72 0.94 1.21 0.95 0.00 0.00 175.26 179.57 1ya8 s ASN 107 N -1.24 7.51 -0.31 0.83 3.84 -1.26 -5.02 114.94 119.29 1ya8 s ASN 107 Ca 0.18 1.91 -0.16 0.00 0.21 0.00 0.00 52.86 54.99 1ya8 s ASN 107 Cb -0.12 -2.60 -0.02 0.00 -0.55 0.00 0.00 41.25 37.96 1ya8 s ASN 107 CO 0.07 0.06 0.41 -0.63 -2.79 0.00 0.00 177.10 174.23 1ya8 s ILE 108 N -1.36 5.12 0.32 -5.21 -1.09 -1.26 -5.05 121.20 112.67 1ya8 s ILE 108 Ca 0.45 0.36 -0.29 0.00 -2.23 0.00 0.00 60.65 58.94 1ya8 s ILE 108 Cb -0.23 -3.81 -0.10 0.00 -1.58 0.00 0.00 42.46 36.73 1ya8 s ILE 108 CO 0.29 -0.02 1.41 -2.16 -1.23 0.00 0.00 174.94 173.22 1ya8 s PRO 109 N 2.15 4.25 0.39 2.79 0.04 -1.26 -5.01 135.00 138.35 1ya8 s PRO 109 Ca 0.15 2.36 0.08 0.00 0.04 0.00 0.00 61.00 63.63 1ya8 s PRO 109 Cb -0.16 -3.05 -0.07 0.00 0.04 0.00 0.00 34.50 31.26 1ya8 s PRO 109 CO 0.11 -0.37 -0.00 -0.51 0.04 0.00 0.00 177.00 176.27 1ya8 s LEU 110 N -1.45 2.87 0.17 -3.56 1.43 -1.26 -5.10 118.68 111.78 1ya8 s LEU 110 Ca 0.53 -1.27 0.10 0.00 -1.03 0.00 0.00 54.13 52.47 1ya8 s LEU 110 Cb -0.43 -1.01 -0.04 0.00 0.03 0.00 0.00 46.19 44.74 1ya8 s LEU 110 CO 0.53 -0.37 -0.17 -0.75 0.23 0.00 0.00 176.35 175.82 1ya8 s LYS 111 N -3.70 1.79 -0.11 1.70 2.47 -1.26 -4.99 119.74 115.64 1ya8 s LYS 111 Ca 0.35 -1.35 -0.07 0.00 -1.56 0.00 0.00 55.97 53.34 1ya8 s LYS 111 Cb 0.07 -2.03 -0.04 0.00 -1.46 0.00 0.00 37.83 34.36 1ya8 s LYS 111 CO 0.18 0.43 0.16 -0.51 0.16 0.00 0.00 175.35 175.77 1ya8 s LEU 112 N -2.61 4.39 -0.12 5.43 1.43 -1.26 -1.16 118.68 124.79 1ya8 s LEU 112 Ca 0.22 0.49 -0.30 0.00 -1.03 0.00 0.00 54.13 53.51 1ya8 s LEU 112 Cb -0.09 -2.12 0.11 0.00 0.03 0.00 0.00 46.19 44.12 1ya8 s LEU 112 CO 0.12 0.40 0.88 -0.55 0.23 0.00 0.00 176.35 177.43 1ya8 s SER 113 N -1.07 -0.47 0.42 2.29 0.15 -1.04 -4.93 113.70 109.05 1ya8 s SER 113 Ca 0.16 0.49 0.23 0.00 0.70 0.00 0.00 55.95 57.53 1ya8 s SER 113 Cb -0.12 0.39 0.63 0.00 -1.71 0.00 0.00 66.02 65.20 1ya8 s SER 113 CO 0.05 -0.45 1.70 -0.33 1.20 0.00 0.00 173.24 175.42 1ya8 h GLU 114 N 2.68 0.00 -5.91 5.44 5.08 -1.95 -3.00 114.58 116.92 1ya8 h GLU 114 Ca -0.21 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.54 1ya8 h GLU 114 Cb 1.16 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.30 1ya8 h GLU 114 CO 0.34 0.21 1.28 0.34 -1.00 0.00 0.00 179.01 180.18 1ya8 s ASP 115 N -6.19 6.47 0.00 1.42 -1.08 -1.26 -4.54 116.67 111.48 1ya8 s ASP 115 Ca 0.03 -1.41 0.00 0.00 -0.52 0.00 0.00 52.55 50.65 1ya8 s ASP 115 Cb 0.08 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 39.01 1ya8 s ASP 115 CO 0.66 -1.47 0.19 0.00 0.52 0.00 0.00 175.17 175.08 1ya8 n LEU 117 N 0.00 5.53 -4.51 0.00 4.77 -1.26 -4.73 117.00 116.79 1ya8 n LEU 117 Ca 0.00 -3.68 -0.24 0.00 -0.03 0.00 0.00 56.01 52.06 1ya8 n LEU 117 Cb 0.39 -1.52 -0.11 0.00 -2.33 0.00 0.00 43.42 39.86 1ya8 n LEU 117 CO 0.00 0.34 -0.28 -0.31 -1.33 0.00 0.00 177.39 175.81 1ya8 s TYR 118 N 4.41 2.18 0.05 -1.77 1.51 -1.26 -2.23 117.35 120.24 1ya8 s TYR 118 Ca 0.52 -0.84 -0.07 0.00 -1.01 0.00 0.00 57.07 55.67 1ya8 s TYR 118 Cb 0.12 -1.47 -0.01 0.00 -0.11 0.00 0.00 41.96 40.50 1ya8 s TYR 118 CO 0.01 0.19 0.14 -0.48 -1.11 0.00 0.00 175.55 174.30 1ya8 s LEU 119 N -3.57 1.62 -0.04 -1.29 0.05 -0.43 -2.69 118.68 112.33 1ya8 s LEU 119 Ca 0.36 -0.52 0.04 0.00 0.05 0.00 0.00 54.13 54.05 1ya8 s LEU 119 Cb 0.09 0.78 -0.03 0.00 -2.05 0.00 0.00 46.19 44.99 1ya8 s LEU 119 CO 0.16 -0.57 -0.13 0.20 -0.55 0.00 0.00 176.35 175.47 1ya8 s ASN 120 N -2.29 4.17 -0.06 1.48 0.01 -0.03 -1.76 114.94 116.45 1ya8 s ASN 120 Ca -0.03 -0.19 0.05 0.00 -0.71 0.00 0.00 52.86 51.98 1ya8 s ASN 120 Cb 0.01 -0.90 -0.02 0.00 0.41 0.00 0.00 41.25 40.75 1ya8 s ASN 120 CO -0.06 0.33 -0.19 -0.63 -1.51 0.00 0.00 177.10 175.04 1ya8 s ILE 121 N -0.80 2.57 -0.39 0.60 1.01 0.08 -2.40 121.20 121.87 1ya8 s ILE 121 Ca 0.13 -0.89 0.02 0.00 0.00 0.00 0.00 60.65 59.91 1ya8 s ILE 121 Cb -0.11 -1.98 0.12 0.00 0.01 0.00 0.00 42.46 40.50 1ya8 s ILE 121 CO 0.02 0.57 0.16 -0.31 0.00 0.00 0.00 174.94 175.39 1ya8 s TYR 122 N -0.37 2.37 -0.16 3.97 1.51 -0.50 -1.56 117.35 122.61 1ya8 s TYR 122 Ca 0.03 -2.41 -0.02 0.00 -1.01 0.00 0.00 57.07 53.66 1ya8 s TYR 122 Cb -0.12 -2.14 -0.02 0.00 -0.11 0.00 0.00 41.96 39.57 1ya8 s TYR 122 CO 0.02 -0.84 -0.08 -0.08 -1.11 0.00 0.00 175.55 173.46 1ya8 s THR 123 N 0.77 3.37 -1.80 -0.71 -1.32 -0.92 -1.34 115.64 113.69 1ya8 s THR 123 Ca 0.14 -0.53 0.27 0.00 -1.21 0.00 0.00 61.69 60.35 1ya8 s THR 123 Cb -0.21 -2.47 0.31 0.00 -1.51 0.00 0.00 72.50 68.62 1ya8 s THR 123 CO -0.09 0.49 1.60 -0.81 -2.21 0.00 0.00 174.62 173.60 1ya8 n PRO 124 N 3.85 0.89 -1.80 7.08 -0.04 -1.26 -1.73 135.00 141.99 1ya8 n PRO 124 Ca -0.18 -0.51 -0.34 0.00 -0.04 0.00 0.00 63.50 62.44 1ya8 n PRO 124 Cb 0.52 -1.49 0.05 0.00 -0.04 0.00 0.00 33.50 32.54 1ya8 n PRO 124 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ya8 s ALA 125 N -2.46 2.47 -0.48 0.55 0.00 -1.26 -4.89 121.76 115.68 1ya8 s ALA 125 Ca 0.26 0.63 -0.26 0.00 0.00 0.00 0.00 51.96 52.59 1ya8 s ALA 125 Cb 0.19 -3.34 0.03 0.00 0.00 0.00 0.00 23.12 20.00 1ya8 s ALA 125 CO 0.50 -1.26 1.01 0.34 0.00 0.00 0.00 175.76 176.34 1ya8 s ASP 126 N -2.38 6.52 0.54 0.00 2.15 -1.26 -4.86 116.67 117.37 1ya8 s ASP 126 Ca 0.69 0.16 0.29 0.00 0.43 0.00 0.00 52.55 54.12 1ya8 s ASP 126 Cb -0.22 -2.48 1.54 0.00 -0.30 0.00 0.00 42.92 41.45 1ya8 s ASP 126 CO 0.40 -1.16 2.10 -0.07 -0.17 0.00 0.00 175.17 176.27 1ya8 h LEU 127 N 10.90 0.00 -1.31 -1.34 3.38 -1.93 -2.77 115.31 122.24 1ya8 h LEU 127 Ca -0.24 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.67 1ya8 h LEU 127 Cb 1.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 1ya8 h LEU 127 CO 1.07 0.09 -0.19 0.71 0.09 0.00 0.00 178.44 180.22 1ya8 h THR 128 N 0.00 1.21 -2.64 0.22 1.35 -1.99 -3.43 112.91 107.62 1ya8 h THR 128 Ca -0.00 -0.94 -0.58 0.00 -0.55 0.00 0.00 66.41 64.34 1ya8 h THR 128 Cb 0.28 1.31 -0.10 0.00 -1.73 0.00 0.00 68.15 67.91 1ya8 h THR 128 CO 0.01 0.29 -0.65 -0.54 -0.25 0.00 0.00 175.52 174.38 1ya8 s LYS 129 N -4.60 2.38 0.65 4.72 1.02 -1.05 -5.09 119.74 117.77 1ya8 s LYS 129 Ca -0.05 -1.20 -0.18 0.00 0.02 0.00 0.00 55.97 54.56 1ya8 s LYS 129 Cb 0.15 -2.30 -0.02 0.00 -0.52 0.00 0.00 37.83 35.14 1ya8 s LYS 129 CO 0.74 0.42 1.16 1.17 -0.92 0.00 0.00 175.35 177.92 1ya8 n LYS 130 N -0.41 0.96 -3.62 1.68 0.00 -1.26 -4.75 118.16 110.76 1ya8 n LYS 130 Ca -0.09 0.38 -0.04 0.00 0.00 0.00 0.00 58.31 58.56 1ya8 n LYS 130 Cb 0.56 -2.39 -0.06 0.00 0.00 0.00 0.00 35.03 33.14 1ya8 n LYS 130 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 1ya8 s ASN 131 N -1.38 -0.82 -0.53 3.14 0.01 -1.26 -4.95 114.94 109.14 1ya8 s ASN 131 Ca 0.80 1.27 0.07 0.00 -0.71 0.00 0.00 52.86 54.29 1ya8 s ASN 131 Cb -0.39 1.49 0.29 0.00 0.41 0.00 0.00 41.25 43.05 1ya8 s ASN 131 CO 0.43 -0.19 0.76 0.54 -1.51 0.00 0.00 177.10 177.12 1ya8 n ARG 132 N 4.35 2.11 -1.71 -0.60 3.00 -1.25 -3.25 116.66 119.30 1ya8 n ARG 132 Ca -0.18 -4.22 -0.32 0.00 -0.01 0.00 0.00 57.85 53.12 1ya8 n ARG 132 Cb 0.57 -1.95 0.04 0.00 0.00 0.00 0.00 32.46 31.12 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 -2.50 3.29 0.50 0.55 1.43 -0.22 -4.05 118.68 117.69 1ya8 s LEU 133 Ca 0.42 1.80 -0.22 0.00 -1.03 0.00 0.00 54.13 55.10 1ya8 s LEU 133 Cb 0.22 -4.52 -0.06 0.00 0.03 0.00 0.00 46.19 41.86 1ya8 s LEU 133 CO -0.08 -1.50 1.22 -2.16 0.23 0.00 0.00 176.35 174.07 1ya8 s PRO 134 N -4.49 3.48 -0.14 1.29 0.04 -1.26 0.17 135.00 134.09 1ya8 s PRO 134 Ca 0.62 1.91 -0.03 0.00 0.04 0.00 0.00 61.00 63.54 1ya8 s PRO 134 Cb -0.17 -2.30 -0.03 0.00 0.04 0.00 0.00 34.50 32.05 1ya8 s PRO 134 CO 0.46 -0.82 -0.03 0.08 0.04 0.00 0.00 177.00 176.73 1ya8 s VAL 135 N -1.49 3.96 -0.33 -0.36 1.01 -0.73 -1.38 120.40 121.08 1ya8 s VAL 135 Ca 0.68 -0.34 0.03 0.00 0.00 0.00 0.00 61.98 62.34 1ya8 s VAL 135 Cb -0.32 -2.72 0.09 0.00 0.00 0.00 0.00 36.38 33.43 1ya8 s VAL 135 CO 0.38 0.52 0.03 -0.04 0.00 0.00 0.00 175.10 175.98 1ya8 s MET 136 N 0.10 1.73 -0.18 2.72 -1.94 0.25 0.11 119.30 122.09 1ya8 s MET 136 Ca -0.00 -1.73 -0.20 0.00 -1.71 0.00 0.00 55.69 52.04 1ya8 s MET 136 Cb -0.13 -3.17 -0.03 0.00 2.01 0.00 0.00 34.83 33.50 1ya8 s MET 136 CO 0.03 -0.86 0.60 0.08 -0.01 0.00 0.00 175.02 174.85 1ya8 s VAL 137 N 0.98 5.06 -0.20 -6.03 1.01 0.82 -0.80 120.40 121.24 1ya8 s VAL 137 Ca 0.06 1.13 -0.07 0.00 0.00 0.00 0.00 61.98 63.10 1ya8 s VAL 137 Cb -0.20 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 1ya8 s VAL 137 CO -0.07 0.16 0.06 0.86 0.00 0.00 0.00 175.10 176.11 1ya8 s TRP 138 N 1.63 3.18 -0.39 5.22 -0.11 0.59 -1.77 118.94 127.30 1ya8 s TRP 138 Ca 0.28 -0.09 -0.08 0.00 1.22 0.00 0.00 56.10 57.43 1ya8 s TRP 138 Cb -0.16 -2.13 0.06 0.00 -1.50 0.00 0.00 33.47 29.75 1ya8 s TRP 138 CO 0.11 -0.01 0.20 0.42 -4.62 0.00 0.00 176.95 173.04 1ya8 s ILE 139 N 0.77 4.10 0.86 5.86 1.01 -0.61 -2.48 121.20 130.70 1ya8 s ILE 139 Ca 0.03 -1.26 -0.11 0.00 0.00 0.00 0.00 60.65 59.31 1ya8 s ILE 139 Cb -0.13 -3.43 0.11 0.00 0.01 0.00 0.00 42.46 39.02 1ya8 s ILE 139 CO 0.02 -0.37 1.16 -1.38 0.00 0.00 0.00 174.94 174.37 1ya8 s HIS 140 N 1.42 1.79 0.18 3.97 -3.43 -1.26 -3.15 115.29 114.82 1ya8 s HIS 140 Ca 0.02 1.73 0.03 0.00 -0.80 0.00 0.00 55.06 56.03 1ya8 s HIS 140 Cb -0.21 -3.37 0.03 0.00 -1.43 0.00 0.00 32.58 27.60 1ya8 s HIS 140 CO 0.03 -2.71 0.23 0.41 -2.00 0.00 0.00 174.74 170.70 1ya8 n GLY 141 N 0.17 2.18 0.00 -1.38 0.00 -1.21 -3.31 105.19 101.63 1ya8 n GLY 141 Ca 0.12 -2.17 0.00 0.00 0.00 0.00 0.00 46.02 43.97 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 2.76 0.25 1.80 -0.02 0.00 -1.26 -4.39 105.19 104.33 1ya8 n GLY 142 Ca 0.04 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.98 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 0.79 3.46 -0.02 0.00 -1.26 -0.72 105.19 107.44 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 -1.44 0.54 -0.12 0.99 4.77 -1.26 -4.77 117.00 115.71 1ya8 n LEU 144 Ca -0.08 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.73 1ya8 n LEU 144 Cb 0.30 -0.87 -0.13 0.00 -2.33 0.00 0.00 43.42 40.39 1ya8 n LEU 144 CO 0.13 -0.29 -1.32 0.23 -1.33 0.00 0.00 177.39 174.81 1ya8 n MET 145 N -1.91 0.66 -4.45 3.23 2.81 0.10 -1.07 117.12 116.49 1ya8 n MET 145 Ca 0.00 0.13 -0.24 0.00 -1.81 0.00 0.00 57.70 55.78 1ya8 n MET 145 Cb 0.02 -1.52 -0.08 0.00 -0.71 0.00 0.00 33.22 30.93 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 -2.52 0.33 0.00 2.03 -7.23 -0.05 -4.36 120.40 108.60 1ya8 s VAL 146 Ca -0.32 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 57.85 1ya8 s VAL 146 Cb 0.09 -2.34 0.00 0.00 0.56 0.00 0.00 36.38 34.68 1ya8 s VAL 146 CO 0.63 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 176.03 1ya8 n GLY 147 N -0.86 2.87 3.33 2.32 0.00 -1.26 -4.06 105.19 107.52 1ya8 n GLY 147 Ca -0.02 -1.96 -0.12 0.00 0.00 0.00 0.00 46.02 43.93 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 -2.96 -1.02 0.14 4.61 0.00 -1.26 -4.64 121.76 116.61 1ya8 s ALA 148 Ca 0.00 0.15 -0.04 0.00 0.00 0.00 0.00 51.96 52.07 1ya8 s ALA 148 Cb 0.00 0.56 -0.06 0.00 0.00 0.00 0.00 23.12 23.62 1ya8 s ALA 148 CO 0.00 -0.58 1.33 0.00 0.00 0.00 0.00 175.76 176.52 1ya8 h ALA 149 N 2.59 0.41 0.00 0.00 0.00 -1.92 -3.28 119.26 117.06 1ya8 h ALA 149 Ca -0.33 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 53.90 1ya8 h ALA 149 Cb 1.24 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1ya8 h ALA 149 CO 0.45 0.80 0.00 0.77 0.00 0.00 0.00 179.25 181.26 1ya8 h SER 150 N 0.26 0.00 -0.85 0.00 0.02 -1.94 -2.47 113.55 108.57 1ya8 h SER 150 Ca -0.07 0.00 0.06 0.00 -0.84 0.00 0.00 61.79 60.95 1ya8 h SER 150 Cb 1.51 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.99 1ya8 h SER 150 CO 0.15 0.00 0.52 0.74 -1.14 0.00 0.00 176.83 177.11 1ya8 h THR 151 N 0.00 1.03 -3.58 -2.27 2.02 -1.94 -3.39 112.91 104.78 1ya8 h THR 151 Ca 0.00 -0.33 -0.63 0.00 0.77 0.00 0.00 66.41 66.22 1ya8 h THR 151 Cb 0.03 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 66.30 1ya8 h THR 151 CO 0.00 0.17 0.22 -0.31 0.37 0.00 0.00 175.52 175.97 1ya8 s TYR 152 N -6.06 3.09 -0.14 3.16 1.51 -0.93 -4.00 117.35 113.97 1ya8 s TYR 152 Ca -0.13 0.23 -0.20 0.00 -1.01 0.00 0.00 57.07 55.96 1ya8 s TYR 152 Cb 0.18 -3.35 -0.03 0.00 -0.11 0.00 0.00 41.96 38.65 1ya8 s TYR 152 CO 0.79 -0.78 0.59 0.34 -1.11 0.00 0.00 175.55 175.37 1ya8 s ASP 153 N 1.93 6.74 0.00 2.29 3.68 -1.26 -4.96 116.67 125.09 1ya8 s ASP 153 Ca 0.26 0.89 0.19 0.00 2.13 0.00 0.00 52.55 56.03 1ya8 s ASP 153 Cb -0.14 -2.34 0.56 0.00 -1.45 0.00 0.00 42.92 39.55 1ya8 s ASP 153 CO 0.18 -0.15 1.45 0.61 0.13 0.00 0.00 175.17 177.39 1ya8 n GLY 154 N 3.49 0.94 0.21 2.66 0.00 -1.26 -4.58 105.19 106.66 1ya8 n GLY 154 Ca -0.03 -0.53 -0.12 0.00 0.00 0.00 0.00 46.02 45.34 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 2.95 -0.50 0.65 0.99 5.85 -1.93 -0.77 115.31 122.56 1ya8 h LEU 155 Ca 0.00 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 1ya8 h LEU 155 Cb 0.66 0.20 0.01 0.00 0.37 0.00 0.00 40.66 41.89 1ya8 h LEU 155 CO 0.00 -0.24 -0.31 0.00 -0.34 0.00 0.00 178.44 177.54 1ya8 h ALA 156 N 0.58 -0.88 -0.98 1.25 0.00 -1.84 -1.43 119.26 115.96 1ya8 h ALA 156 Ca 0.04 -0.20 0.10 0.00 0.00 0.00 0.00 54.91 54.85 1ya8 h ALA 156 Cb 0.36 0.34 -0.08 0.00 0.00 0.00 0.00 17.79 18.41 1ya8 h ALA 156 CO -0.14 -0.96 0.62 1.25 0.00 0.00 0.00 179.25 180.01 1ya8 h LEU 157 N -0.94 0.94 -0.13 0.00 5.85 -1.77 0.46 115.31 119.71 1ya8 h LEU 157 Ca -0.09 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 1ya8 h LEU 157 Cb 0.69 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 1ya8 h LEU 157 CO 0.15 0.54 0.05 0.00 -0.34 0.00 0.00 178.44 178.84 1ya8 h ALA 158 N 1.49 0.17 0.03 1.25 0.00 -1.02 -2.20 119.26 118.99 1ya8 h ALA 158 Ca 0.46 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 1ya8 h ALA 158 Cb 0.35 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1ya8 h ALA 158 CO -0.23 -0.24 -0.01 0.00 0.00 0.00 0.00 179.25 178.77 1ya8 h ALA 159 N 0.90 -0.04 0.00 0.00 0.00 -0.77 -2.23 119.26 117.13 1ya8 h ALA 159 Ca 0.04 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1ya8 h ALA 159 Cb 0.17 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1ya8 h ALA 159 CO -0.00 -0.22 -0.04 0.45 0.00 0.00 0.00 179.25 179.44 1ya8 h HIS 160 N -0.64 0.00 0.00 0.00 -0.00 -0.15 -3.24 115.15 111.12 1ya8 h HIS 160 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 1ya8 h HIS 160 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.00 1ya8 h HIS 160 CO 0.13 0.04 0.00 0.39 -0.00 0.00 0.00 177.93 178.49 1ya8 n GLU 161 N -3.98 1.44 -3.67 2.45 -0.58 -0.83 -5.00 120.64 110.47 1ya8 n GLU 161 Ca -0.03 -0.99 -0.27 0.00 -0.42 0.00 0.00 57.16 55.45 1ya8 n GLU 161 Cb 0.13 -0.82 0.04 0.00 -0.57 0.00 0.00 31.44 30.21 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 -0.26 -4.03 -4.23 1.62 2.85 -0.84 -5.01 115.26 105.35 1ya8 n ASN 162 Ca 0.00 -0.94 -0.13 0.00 -0.11 0.00 0.00 54.58 53.40 1ya8 n ASN 162 Cb 0.29 -3.67 -0.10 0.00 1.24 0.00 0.00 39.78 37.54 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 -3.56 0.71 -0.24 3.44 -7.23 -1.19 -4.57 120.40 107.76 1ya8 s VAL 163 Ca 0.32 -1.98 -0.14 0.00 -1.81 0.00 0.00 61.98 58.38 1ya8 s VAL 163 Cb -0.10 -2.02 -0.04 0.00 0.56 0.00 0.00 36.38 34.77 1ya8 s VAL 163 CO 0.84 -0.56 0.31 -0.69 -0.31 0.00 0.00 175.10 174.69 1ya8 s VAL 164 N -3.63 5.24 -0.22 1.32 1.01 -0.48 -4.31 120.40 119.34 1ya8 s VAL 164 Ca 0.21 0.49 -0.12 0.00 0.00 0.00 0.00 61.98 62.57 1ya8 s VAL 164 Cb 0.06 -3.65 -0.05 0.00 0.00 0.00 0.00 36.38 32.74 1ya8 s VAL 164 CO 0.02 0.24 0.20 -0.69 0.00 0.00 0.00 175.10 174.88 1ya8 s VAL 165 N 1.54 5.34 -0.20 2.92 1.01 -0.45 -0.58 120.40 129.97 1ya8 s VAL 165 Ca 0.14 0.30 0.01 0.00 0.00 0.00 0.00 61.98 62.43 1ya8 s VAL 165 Cb -0.15 -3.54 0.04 0.00 0.00 0.00 0.00 36.38 32.73 1ya8 s VAL 165 CO 0.08 0.36 -0.14 -0.69 0.00 0.00 0.00 175.10 174.71 1ya8 s VAL 166 N 0.86 1.89 -0.24 2.92 1.01 0.02 -1.41 120.40 125.46 1ya8 s VAL 166 Ca 0.10 -1.09 -0.07 0.00 0.00 0.00 0.00 61.98 60.92 1ya8 s VAL 166 Cb -0.13 -1.87 -0.03 0.00 0.00 0.00 0.00 36.38 34.35 1ya8 s VAL 166 CO 0.03 0.28 0.07 0.42 0.00 0.00 0.00 175.10 175.90 1ya8 s THR 167 N 1.30 4.40 0.29 3.92 -4.23 -1.01 0.22 115.64 120.54 1ya8 s THR 167 Ca -0.00 -0.14 0.10 0.00 -1.18 0.00 0.00 61.69 60.46 1ya8 s THR 167 Cb -0.16 -3.05 -0.05 0.00 1.34 0.00 0.00 72.50 70.59 1ya8 s THR 167 CO -0.09 0.35 -0.06 0.27 -0.54 0.00 0.00 174.62 174.55 1ya8 s ILE 168 N 1.44 2.90 0.37 2.99 -4.36 -1.03 -0.85 121.20 122.65 1ya8 s ILE 168 Ca 0.06 -2.09 0.08 0.00 -0.26 0.00 0.00 60.65 58.44 1ya8 s ILE 168 Cb -0.15 -2.66 -0.06 0.00 1.25 0.00 0.00 42.46 40.84 1ya8 s ILE 168 CO 0.04 -0.33 -0.01 -1.10 0.24 0.00 0.00 174.94 173.78 1ya8 s GLN 169 N -3.63 1.97 -0.07 0.37 -0.21 -1.09 -4.47 119.66 112.52 1ya8 s GLN 169 Ca 0.32 -1.93 -0.31 0.00 0.02 0.00 0.00 55.36 53.47 1ya8 s GLN 169 Cb -0.04 -1.78 0.08 0.00 1.00 0.00 0.00 33.01 32.27 1ya8 s GLN 169 CO 0.18 0.06 0.72 1.52 -2.12 0.00 0.00 175.29 175.65 1ya8 s TYR 170 N -2.61 -0.63 0.36 0.91 1.13 -1.26 -4.73 117.35 110.52 1ya8 s TYR 170 Ca 0.35 1.10 -0.26 0.00 -1.41 0.00 0.00 57.07 56.85 1ya8 s TYR 170 Cb 0.04 0.41 -0.12 0.00 -1.10 0.00 0.00 41.96 41.19 1ya8 s TYR 170 CO 0.18 -0.57 0.96 0.54 -2.51 0.00 0.00 175.55 174.16 1ya8 n ARG 171 N 0.96 1.28 -4.50 -3.49 1.74 -1.26 -4.87 116.66 106.51 1ya8 n ARG 171 Ca -0.18 0.46 -0.26 0.00 -0.77 0.00 0.00 57.85 57.10 1ya8 n ARG 171 Cb 0.57 -1.91 -0.10 0.00 -1.02 0.00 0.00 32.46 30.00 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 0.12 2.83 0.00 0.55 1.43 -1.26 -4.31 118.68 118.04 1ya8 s LEU 172 Ca 0.61 -1.19 0.00 0.00 -1.03 0.00 0.00 54.13 52.52 1ya8 s LEU 172 Cb -0.62 -1.07 0.00 0.00 0.03 0.00 0.00 46.19 44.53 1ya8 s LEU 172 CO 0.58 -0.28 0.00 0.61 0.23 0.00 0.00 176.35 177.50 1ya8 n GLY 173 N -0.88 2.45 0.18 -3.19 0.00 -0.23 -1.91 105.19 101.60 1ya8 n GLY 173 Ca -0.05 -0.10 -0.04 0.00 0.00 0.00 0.00 46.02 45.84 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 0.73 -0.71 -0.61 2.04 -1.93 0.30 117.51 117.32 1ya8 h ILE 174 Ca 0.00 -0.06 0.01 0.00 1.00 0.00 0.00 64.86 65.82 1ya8 h ILE 174 Cb 0.00 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 36.59 1ya8 h ILE 174 CO 0.00 0.03 0.47 -0.50 0.00 0.00 0.00 178.15 178.15 1ya8 h TRP 175 N 0.17 0.88 -0.01 1.37 6.55 -1.86 -2.33 115.95 120.72 1ya8 h TRP 175 Ca 0.21 0.02 0.00 0.00 0.95 0.00 0.00 58.89 60.07 1ya8 h TRP 175 Cb 0.28 -0.30 0.00 0.00 -0.86 0.00 0.00 29.16 28.29 1ya8 h TRP 175 CO -0.24 0.54 -0.47 0.41 -1.05 0.00 0.00 178.44 177.63 1ya8 n GLY 176 N -1.43 -0.15 0.00 1.49 0.00 -0.80 -4.43 105.19 99.87 1ya8 n GLY 176 Ca 0.08 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.37 0.00 -2.13 1.61 3.72 0.10 -1.21 117.46 119.18 1ya8 n PHE 177 Ca 0.07 -0.02 -0.42 0.00 -0.05 0.00 0.00 57.45 57.02 1ya8 n PHE 177 Cb 0.36 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.87 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 -0.04 2.65 -0.02 1.38 2.19 -0.88 -4.54 117.98 118.72 1ya8 s PHE 178 Ca 0.00 0.63 0.01 0.00 0.33 0.00 0.00 56.93 57.90 1ya8 s PHE 178 Cb 0.00 -3.77 0.01 0.00 -1.31 0.00 0.00 43.02 37.95 1ya8 s PHE 178 CO 0.00 -2.95 -0.05 0.45 1.83 0.00 0.00 175.22 174.50 1ya8 s SER 179 N 2.16 0.69 0.00 6.13 0.15 -1.26 -4.24 113.70 117.34 1ya8 s SER 179 Ca 0.67 -0.10 0.23 0.00 0.70 0.00 0.00 55.95 57.45 1ya8 s SER 179 Cb -0.34 -0.18 0.62 0.00 -1.71 0.00 0.00 66.02 64.42 1ya8 s SER 179 CO 0.28 0.02 1.53 0.35 1.20 0.00 0.00 173.24 176.62 1ya8 n THR 180 N 3.34 0.92 -0.07 6.45 -2.24 -0.14 -4.62 114.28 117.92 1ya8 n THR 180 Ca -0.18 -0.96 0.00 0.00 -2.27 0.00 0.00 64.05 60.64 1ya8 n THR 180 Cb 0.55 0.58 0.00 0.00 -2.10 0.00 0.00 70.33 69.36 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 1.66 2.60 0.66 3.38 0.00 -1.26 -4.50 105.19 107.73 1ya8 n GLY 181 Ca 0.24 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.21 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 0.00 1.62 0.28 1.61 3.85 -1.26 -4.97 116.55 117.68 1ya8 n ASP 182 Ca 0.00 -1.41 0.19 0.00 -0.71 0.00 0.00 54.79 52.85 1ya8 n ASP 182 Cb 0.00 0.13 0.88 0.00 -1.35 0.00 0.00 41.12 40.79 1ya8 n ASP 182 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.20 177.24 1ya8 h GLU 183 N 0.00 0.00 0.00 0.11 9.09 -1.97 -1.80 114.58 120.01 1ya8 h GLU 183 Ca -0.07 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.34 1ya8 h GLU 183 Cb 0.23 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.33 1ya8 h GLU 183 CO 0.11 0.00 0.00 0.45 0.05 0.00 0.00 179.01 179.62 1ya8 h HIS 184 N 0.00 0.00 0.00 2.06 3.86 -1.96 -3.38 115.15 115.74 1ya8 h HIS 184 Ca 0.00 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.11 1ya8 h HIS 184 Cb 0.26 0.00 -0.13 0.00 1.06 0.00 0.00 27.41 28.60 1ya8 h HIS 184 CO 0.00 0.00 -0.09 0.45 0.86 0.00 0.00 177.93 179.15 1ya8 n SER 185 N -2.47 -1.51 -0.21 2.45 2.88 -1.02 -4.94 113.62 108.80 1ya8 n SER 185 Ca 0.02 -2.04 -0.03 0.00 -1.33 0.00 0.00 58.87 55.50 1ya8 n SER 185 Cb 0.28 0.95 0.03 0.00 -0.75 0.00 0.00 64.21 64.72 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 3.10 -0.10 0.00 -1.46 3.08 -1.53 -0.36 114.38 117.12 1ya8 h ARG 186 Ca -0.23 0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.82 1ya8 h ARG 186 Cb 1.18 0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.26 1ya8 h ARG 186 CO -0.09 -0.07 0.00 0.41 -1.07 0.00 0.00 179.97 179.15 1ya8 n GLY 187 N -1.44 0.11 2.60 0.04 0.00 -1.26 -4.55 105.19 100.68 1ya8 n GLY 187 Ca 0.06 -2.27 -0.16 0.00 0.00 0.00 0.00 46.02 43.64 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 -4.53 -0.33 1.61 3.02 -1.26 -4.85 115.26 108.92 1ya8 n ASN 188 Ca 0.00 0.03 0.02 0.00 -0.03 0.00 0.00 54.58 54.61 1ya8 n ASN 188 Cb 0.00 -3.79 0.17 0.00 -0.61 0.00 0.00 39.78 35.55 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 -0.25 1.06 -0.86 3.10 4.06 -1.70 -0.60 115.95 120.76 1ya8 h TRP 189 Ca -0.38 0.03 0.05 0.00 2.06 0.00 0.00 58.89 60.65 1ya8 h TRP 189 Cb 1.27 -0.34 -0.05 0.00 -1.00 0.00 0.00 29.16 29.04 1ya8 h TRP 189 CO 0.65 0.52 0.56 0.78 -3.56 0.00 0.00 178.44 177.39 1ya8 h GLY 190 N 1.02 1.23 1.87 1.49 0.00 -1.38 0.26 103.07 107.55 1ya8 h GLY 190 Ca 0.41 -0.41 -0.17 0.00 0.00 0.00 0.00 47.33 47.16 1ya8 h GLY 190 CO -0.19 0.33 -0.78 0.45 0.00 0.00 0.00 176.54 176.35 1ya8 h HIS 191 N 1.03 0.18 0.00 5.60 3.86 -1.50 -2.54 115.15 121.77 1ya8 h HIS 191 Ca 0.35 -0.09 -0.11 0.00 -1.16 0.00 0.00 60.37 59.36 1ya8 h HIS 191 Cb 0.10 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 28.53 1ya8 h HIS 191 CO -0.00 0.85 -0.53 -0.07 0.86 0.00 0.00 177.93 179.03 1ya8 h LEU 192 N 0.08 0.00 -0.81 2.43 3.38 0.30 -1.88 115.31 118.81 1ya8 h LEU 192 Ca -0.02 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 1ya8 h LEU 192 Cb 1.36 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.10 1ya8 h LEU 192 CO 0.11 0.53 -0.19 0.44 0.09 0.00 0.00 178.44 179.42 1ya8 h ASP 193 N 0.00 0.69 -0.19 -0.43 3.32 -0.31 -0.55 116.42 118.94 1ya8 h ASP 193 Ca -0.01 -0.23 -0.05 0.00 0.02 0.00 0.00 57.03 56.77 1ya8 h ASP 193 Cb 0.95 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.31 1ya8 h ASP 193 CO 0.07 0.88 -0.07 1.56 -1.72 0.00 0.00 179.24 179.96 1ya8 h GLN 194 N 0.61 0.38 -0.67 3.56 4.20 -1.08 -2.03 115.11 120.08 1ya8 h GLN 194 Ca 0.09 -0.16 0.03 0.00 0.06 0.00 0.00 58.65 58.68 1ya8 h GLN 194 Cb 0.66 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.39 1ya8 h GLN 194 CO 0.05 0.66 0.44 0.28 -0.67 0.00 0.00 178.83 179.59 1ya8 h VAL 195 N 0.09 1.10 -0.15 -0.54 2.07 -1.13 -1.53 116.25 116.17 1ya8 h VAL 195 Ca 0.05 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 1ya8 h VAL 195 Cb 0.53 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 1ya8 h VAL 195 CO 0.02 0.15 0.02 0.00 0.02 0.00 0.00 177.57 177.78 1ya8 h ALA 196 N 1.61 0.20 -0.96 1.67 0.00 -0.90 -1.80 119.26 119.07 1ya8 h ALA 196 Ca 0.26 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 55.02 1ya8 h ALA 196 Cb 0.05 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 1ya8 h ALA 196 CO -0.07 -0.13 0.64 0.00 0.00 0.00 0.00 179.25 179.68 1ya8 h ALA 197 N 0.80 1.33 -0.88 0.00 0.00 -0.83 -0.23 119.26 119.46 1ya8 h ALA 197 Ca 0.04 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1ya8 h ALA 197 Cb 0.31 -0.38 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 1ya8 h ALA 197 CO 0.00 0.60 0.53 -0.07 0.00 0.00 0.00 179.25 180.31 1ya8 h LEU 198 N 1.28 1.06 -1.05 0.00 3.38 -1.10 0.34 115.31 119.22 1ya8 h LEU 198 Ca 0.36 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.21 1ya8 h LEU 198 Cb -0.10 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.36 1ya8 h LEU 198 CO -0.09 0.82 0.08 0.03 0.09 0.00 0.00 178.44 179.37 1ya8 h ARG 199 N 1.21 0.76 -0.38 1.13 3.08 -0.40 -1.47 114.38 118.31 1ya8 h ARG 199 Ca 0.31 -0.16 -0.06 0.00 0.07 0.00 0.00 59.98 60.14 1ya8 h ARG 199 Cb -0.04 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 29.88 1ya8 h ARG 199 CO -0.06 0.72 -0.03 2.35 -1.07 0.00 0.00 179.97 181.88 1ya8 h TRP 200 N 0.73 0.64 -0.14 3.04 7.01 0.63 -2.17 115.95 125.69 1ya8 h TRP 200 Ca 0.16 -0.08 -0.02 0.00 2.11 0.00 0.00 58.89 61.06 1ya8 h TRP 200 Cb 0.33 -0.18 -0.01 0.00 -2.10 0.00 0.00 29.16 27.20 1ya8 h TRP 200 CO 0.02 0.63 0.02 0.28 -2.79 0.00 0.00 178.44 176.60 1ya8 h VAL 201 N 0.57 1.23 -0.89 2.65 2.07 -0.34 -2.15 116.25 119.40 1ya8 h VAL 201 Ca 0.12 -0.72 0.13 0.00 0.82 0.00 0.00 66.70 67.04 1ya8 h VAL 201 Cb 0.41 1.44 -0.09 0.00 -1.52 0.00 0.00 31.29 31.53 1ya8 h VAL 201 CO 0.02 0.21 0.51 1.56 0.02 0.00 0.00 177.57 179.89 1ya8 h GLN 202 N -0.00 0.75 -0.00 1.57 1.08 -0.88 -0.03 115.11 117.60 1ya8 h GLN 202 Ca 0.04 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1ya8 h GLN 202 Cb 0.31 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.57 1ya8 h GLN 202 CO 0.00 0.49 -0.31 -0.25 -0.95 0.00 0.00 178.83 177.82 1ya8 n ASP 203 N -4.77 0.47 0.00 1.46 8.00 -0.85 -4.62 116.55 116.24 1ya8 n ASP 203 Ca 0.17 -0.24 0.00 0.00 0.71 0.00 0.00 54.79 55.43 1ya8 n ASP 203 Cb 0.38 0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.52 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 -1.30 2.14 -0.25 -2.24 3.02 -0.82 -4.79 115.26 111.02 1ya8 n ASN 204 Ca 0.08 0.00 0.20 0.00 -0.03 0.00 0.00 54.58 54.83 1ya8 n ASN 204 Cb 0.33 0.04 0.37 0.00 -0.61 0.00 0.00 39.78 39.91 1ya8 n ASN 204 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ya8 n ILE 205 N -1.88 -0.32 -0.19 2.41 0.13 -0.07 0.72 119.36 120.14 1ya8 n ILE 205 Ca 0.00 1.61 0.20 0.00 -1.10 0.00 0.00 62.75 63.46 1ya8 n ILE 205 Cb 0.26 -2.51 0.56 0.00 -0.84 0.00 0.00 39.64 37.10 1ya8 n ILE 205 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1ya8 h ALA 206 N 1.54 2.31 0.00 1.51 0.00 -1.74 1.30 119.26 124.18 1ya8 h ALA 206 Ca 0.59 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.50 1ya8 h ALA 206 Cb 1.45 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.22 1ya8 h ALA 206 CO -0.64 -0.56 0.00 0.77 0.00 0.00 0.00 179.25 178.82 1ya8 h SER 207 N 0.31 0.00 -0.53 0.00 0.02 0.01 -1.35 113.55 112.01 1ya8 h SER 207 Ca 0.42 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.37 1ya8 h SER 207 Cb 1.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.70 1ya8 h SER 207 CO -0.12 0.00 0.00 0.49 -1.14 0.00 0.00 176.83 176.06 1ya8 n PHE 208 N -2.80 0.70 -1.06 3.45 3.01 0.44 -4.84 117.46 116.37 1ya8 n PHE 208 Ca 0.00 -0.48 0.00 0.00 1.01 0.00 0.00 57.45 57.98 1ya8 n PHE 208 Cb 0.21 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.67 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 1.10 0.64 3.58 1.37 0.00 -0.51 -4.71 105.19 106.66 1ya8 n GLY 209 Ca 0.18 -0.75 -0.30 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.74 1.79 -0.47 -0.02 0.00 -0.75 -1.05 107.32 104.07 1ya8 s GLY 210 Ca 0.00 -1.21 -0.18 0.00 0.00 0.00 0.00 44.72 43.33 1ya8 s GLY 210 CO 0.00 -1.17 0.52 0.21 0.00 0.00 0.00 173.10 172.65 1ya8 s ASN 211 N -2.10 6.20 0.14 1.64 2.47 0.13 -2.53 114.94 120.89 1ya8 s ASN 211 Ca 0.21 -0.94 0.09 0.00 0.42 0.00 0.00 52.86 52.63 1ya8 s ASN 211 Cb -0.11 -2.25 0.47 0.00 -1.45 0.00 0.00 41.25 37.92 1ya8 s ASN 211 CO 0.13 -0.74 1.23 -0.81 -3.72 0.00 0.00 177.10 173.19 1ya8 n PRO 212 N 5.77 0.06 -0.01 0.43 -0.04 -1.26 -0.99 135.00 138.96 1ya8 n PRO 212 Ca -0.08 0.53 0.13 0.00 -0.04 0.00 0.00 63.50 64.04 1ya8 n PRO 212 Cb 0.45 -1.74 0.36 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 0.41 2.22 0.55 0.00 -1.26 -4.42 105.19 101.30 1ya8 n GLY 213 Ca -0.01 -0.53 -0.20 0.00 0.00 0.00 0.00 46.02 45.28 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 0.62 0.82 -4.74 1.61 2.88 -0.16 -4.89 113.62 109.77 1ya8 n SER 214 Ca 0.17 -2.96 -0.35 0.00 -1.33 0.00 0.00 58.87 54.40 1ya8 n SER 214 Cb 0.44 -0.62 -0.08 0.00 -0.75 0.00 0.00 64.21 63.20 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 -2.20 5.39 -0.11 2.46 1.01 -1.26 -1.78 120.40 123.91 1ya8 s VAL 215 Ca 0.39 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.64 1ya8 s VAL 215 Cb 0.30 -3.50 -0.02 0.00 0.00 0.00 0.00 36.38 33.16 1ya8 s VAL 215 CO -0.09 0.44 -0.12 -0.89 0.00 0.00 0.00 175.10 174.44 1ya8 s THR 216 N 0.31 3.18 -0.12 3.92 2.01 0.12 -0.17 115.64 124.89 1ya8 s THR 216 Ca 0.10 -0.63 -0.00 0.00 0.31 0.00 0.00 61.69 61.47 1ya8 s THR 216 Cb -0.11 -2.32 -0.02 0.00 0.01 0.00 0.00 72.50 70.06 1ya8 s THR 216 CO -0.00 0.54 -0.12 0.27 -0.69 0.00 0.00 174.62 174.62 1ya8 s ILE 217 N 0.00 3.19 -0.03 1.82 -4.36 -0.54 -0.13 121.20 121.15 1ya8 s ILE 217 Ca -0.03 -0.62 -0.04 0.00 -0.26 0.00 0.00 60.65 59.69 1ya8 s ILE 217 Cb -0.14 -2.33 0.01 0.00 1.25 0.00 0.00 42.46 41.24 1ya8 s ILE 217 CO 0.04 0.53 0.11 0.72 0.24 0.00 0.00 174.94 176.58 1ya8 s PHE 218 N 0.16 -0.08 0.25 1.37 -0.71 -0.73 -0.65 117.98 117.59 1ya8 s PHE 218 Ca -0.06 0.19 -0.10 0.00 -1.04 0.00 0.00 56.93 55.92 1ya8 s PHE 218 Cb -0.15 0.01 -0.01 0.00 -1.21 0.00 0.00 43.02 41.67 1ya8 s PHE 218 CO 0.05 -0.11 0.43 0.20 -1.34 0.00 0.00 175.22 174.44 1ya8 s GLY 219 N -0.27 0.77 0.03 1.99 0.00 -0.99 -1.57 107.32 107.27 1ya8 s GLY 219 Ca -0.03 -1.07 0.08 0.00 0.00 0.00 0.00 44.72 43.70 1ya8 s GLY 219 CO 0.00 -0.78 -0.23 1.85 0.00 0.00 0.00 173.10 173.94 1ya8 s GLU 220 N -3.93 1.66 3.96 2.90 -6.30 -1.19 -2.05 118.70 113.75 1ya8 s GLU 220 Ca 0.26 -0.96 0.00 0.00 -2.50 0.00 0.00 54.97 51.77 1ya8 s GLU 220 Cb 0.01 -1.74 0.00 0.00 0.00 0.00 0.00 34.13 32.40 1ya8 s GLU 220 CO 0.11 0.46 0.00 0.45 0.02 0.00 0.00 175.26 176.29 1ya8 n SER 221 N 2.02 0.00 -0.12 -1.70 2.88 -0.07 0.82 113.62 117.45 1ya8 n SER 221 Ca -0.17 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.38 1ya8 n SER 221 Cb 0.52 0.00 0.28 0.00 -0.75 0.00 0.00 64.21 64.27 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 -0.63 1.46 0.00 -1.46 0.00 -1.87 0.44 119.26 117.20 1ya8 h ALA 222 Ca 0.00 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1ya8 h ALA 222 Cb 0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1ya8 h ALA 222 CO 0.00 0.44 -0.25 0.78 0.00 0.00 0.00 179.25 180.23 1ya8 h GLY 223 N 0.87 0.00 1.27 0.00 0.00 0.42 0.16 103.07 105.79 1ya8 h GLY 223 Ca 0.20 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.29 1ya8 h GLY 223 CO -0.03 0.00 -0.93 -1.33 0.00 0.00 0.00 176.54 174.25 1ya8 h GLY 224 N 1.34 0.75 1.42 4.60 0.00 -0.07 -2.47 103.07 108.65 1ya8 h GLY 224 Ca -0.00 -1.21 -0.06 0.00 0.00 0.00 0.00 47.33 46.06 1ya8 h GLY 224 CO 0.03 1.07 0.04 -2.09 0.00 0.00 0.00 176.54 175.59 1ya8 h GLU 225 N 0.41 0.72 -0.30 4.80 4.22 0.78 -1.75 114.58 123.46 1ya8 h GLU 225 Ca -0.09 -0.17 -0.05 0.00 0.08 0.00 0.00 59.36 59.14 1ya8 h GLU 225 Cb 1.56 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.70 1ya8 h GLU 225 CO 0.18 0.71 0.01 0.77 -2.18 0.00 0.00 179.01 178.49 1ya8 h SER 226 N 0.68 0.52 -0.53 1.04 0.02 -0.96 -0.53 113.55 113.80 1ya8 h SER 226 Ca 0.14 -0.30 0.03 0.00 -0.84 0.00 0.00 61.79 60.83 1ya8 h SER 226 Cb 0.36 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 62.73 1ya8 h SER 226 CO 0.01 0.69 0.30 0.58 -1.14 0.00 0.00 176.83 177.27 1ya8 h VAL 227 N 0.33 1.02 -0.38 2.27 2.07 -1.17 0.58 116.25 120.97 1ya8 h VAL 227 Ca 0.09 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 1ya8 h VAL 227 Cb 0.42 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 1ya8 h VAL 227 CO 0.01 0.11 0.21 -1.28 0.02 0.00 0.00 177.57 176.64 1ya8 h SER 228 N 0.58 0.45 0.11 0.57 0.87 -1.01 -1.62 113.55 113.50 1ya8 h SER 228 Ca 0.22 -0.02 -0.24 0.00 -1.23 0.00 0.00 61.79 60.52 1ya8 h SER 228 Cb 0.07 -0.11 0.01 0.00 -0.44 0.00 0.00 62.40 61.92 1ya8 h SER 228 CO -0.12 0.37 -0.93 0.58 -0.53 0.00 0.00 176.83 176.20 1ya8 h VAL 229 N 0.52 1.33 -0.15 2.23 2.07 -0.00 -3.04 116.25 119.20 1ya8 h VAL 229 Ca 0.14 -2.24 -0.07 0.00 0.82 0.00 0.00 66.70 65.35 1ya8 h VAL 229 Cb 0.01 2.28 -0.01 0.00 -1.52 0.00 0.00 31.29 32.05 1ya8 h VAL 229 CO -0.02 0.69 -0.20 -0.07 0.02 0.00 0.00 177.57 177.98 1ya8 h LEU 230 N 0.36 0.25 -1.98 2.57 3.38 -0.55 -1.61 115.31 117.73 1ya8 h LEU 230 Ca -0.09 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 1ya8 h LEU 230 Cb 1.56 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 42.24 1ya8 h LEU 230 CO 0.17 0.47 -0.10 0.58 0.09 0.00 0.00 178.44 179.65 1ya8 h VAL 231 N 0.24 0.71 -0.02 1.22 2.07 -1.19 -2.46 116.25 116.82 1ya8 h VAL 231 Ca 0.04 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.16 1ya8 h VAL 231 Cb 0.50 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 1ya8 h VAL 231 CO 0.03 0.10 -0.00 0.18 0.02 0.00 0.00 177.57 177.90 1ya8 n LEU 232 N -3.89 2.39 -4.64 2.57 4.77 -0.79 -4.92 117.00 112.50 1ya8 n LEU 232 Ca -0.02 -1.00 -0.39 0.00 -0.03 0.00 0.00 56.01 54.56 1ya8 n LEU 232 Cb 0.20 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.21 1ya8 n LEU 232 CO 0.31 0.42 0.22 -0.55 -1.33 0.00 0.00 177.39 176.47 1ya8 s SER 233 N -1.40 6.47 0.47 -1.43 0.15 -0.68 -4.92 113.70 112.36 1ya8 s SER 233 Ca 0.19 0.56 0.12 0.00 0.70 0.00 0.00 55.95 57.53 1ya8 s SER 233 Cb 0.14 -2.28 1.08 0.00 -1.71 0.00 0.00 66.02 63.26 1ya8 s SER 233 CO 0.21 -0.23 2.09 -0.65 1.20 0.00 0.00 173.24 175.86 1ya8 h PRO 234 N 7.79 0.26 -0.44 5.44 0.11 -1.87 -2.45 132.00 140.84 1ya8 h PRO 234 Ca -0.31 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.76 1ya8 h PRO 234 Cb 1.15 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 1ya8 h PRO 234 CO 0.72 0.17 0.19 -0.07 -0.21 0.00 0.00 178.00 178.80 1ya8 h LEU 235 N 0.27 0.60 0.00 2.35 3.38 -1.83 -3.05 115.31 117.04 1ya8 h LEU 235 Ca 0.10 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1ya8 h LEU 235 Cb 0.07 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1ya8 h LEU 235 CO -0.02 0.59 0.00 0.00 0.09 0.00 0.00 178.44 179.10 1ya8 n ALA 236 N -2.31 2.19 -1.66 1.53 0.00 -0.93 -4.86 120.51 114.47 1ya8 n ALA 236 Ca 0.01 -0.10 -0.47 0.00 0.00 0.00 0.00 53.44 52.88 1ya8 n ALA 236 Cb 0.14 -1.41 -0.05 0.00 0.00 0.00 0.00 19.45 18.14 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 -1.43 1.97 -0.63 0.00 4.81 -1.15 -1.18 118.16 120.55 1ya8 n LYS 237 Ca 0.08 0.71 0.00 0.00 -0.87 0.00 0.00 58.31 58.23 1ya8 n LYS 237 Cb 0.26 -2.46 0.00 0.00 0.02 0.00 0.00 35.03 32.85 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 3.45 -1.21 -0.42 3.14 3.02 -1.26 -4.90 115.26 117.08 1ya8 n ASN 238 Ca 0.18 0.00 0.09 0.00 -0.03 0.00 0.00 54.58 54.82 1ya8 n ASN 238 Cb 0.27 -0.20 -0.00 0.00 -0.61 0.00 0.00 39.78 39.23 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 1.79 -3.71 3.41 4.77 -0.32 -4.99 117.00 117.95 1ya8 n LEU 239 Ca 0.00 -0.76 -0.10 0.00 -0.03 0.00 0.00 56.01 55.12 1ya8 n LEU 239 Cb 0.00 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 1ya8 n LEU 239 CO 0.00 0.34 0.33 0.72 -1.33 0.00 0.00 177.39 177.45 1ya8 s PHE 240 N -2.14 -0.20 0.00 -1.77 -0.71 -1.26 -4.87 117.98 107.03 1ya8 s PHE 240 Ca 0.15 -0.14 0.00 0.00 -1.04 0.00 0.00 56.93 55.90 1ya8 s PHE 240 Cb 0.15 0.47 0.00 0.00 -1.21 0.00 0.00 43.02 42.43 1ya8 s PHE 240 CO 0.47 -0.96 0.10 0.72 -1.34 0.00 0.00 175.22 174.21 1ya8 n HIS 241 N -0.37 0.00 -3.63 3.49 8.25 0.76 -4.93 115.22 118.79 1ya8 n HIS 241 Ca -0.10 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.20 1ya8 n HIS 241 Cb 0.62 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.66 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 -0.33 0.85 -0.00 -0.41 0.52 -1.20 -4.12 118.95 114.26 1ya8 s ARG 242 Ca 0.00 0.30 0.00 0.00 -0.52 0.00 0.00 55.73 55.52 1ya8 s ARG 242 Cb 0.00 0.40 -0.00 0.00 0.52 0.00 0.00 34.95 35.87 1ya8 s ARG 242 CO 0.00 -0.22 -0.01 0.00 0.02 0.00 0.00 175.30 175.08 1ya8 s ALA 243 N -0.79 0.12 -0.14 2.13 0.00 -0.63 -1.46 121.76 120.99 1ya8 s ALA 243 Ca -0.08 -0.06 0.00 0.00 0.00 0.00 0.00 51.96 51.82 1ya8 s ALA 243 Cb -0.03 -0.04 0.02 0.00 0.00 0.00 0.00 23.12 23.08 1ya8 s ALA 243 CO 0.06 0.03 -0.12 0.42 0.00 0.00 0.00 175.76 176.14 1ya8 s ILE 244 N -0.01 1.41 -0.25 0.00 1.01 0.17 -0.53 121.20 123.01 1ya8 s ILE 244 Ca 0.00 -0.54 -0.05 0.00 0.00 0.00 0.00 60.65 60.06 1ya8 s ILE 244 Cb -0.01 -1.36 -0.00 0.00 0.01 0.00 0.00 42.46 41.10 1ya8 s ILE 244 CO -0.00 0.42 0.02 -0.44 0.00 0.00 0.00 174.94 174.94 1ya8 s SER 245 N 1.55 4.75 -0.42 3.58 0.01 -0.13 -2.35 113.70 120.69 1ya8 s SER 245 Ca 0.05 -0.52 -0.07 0.00 1.31 0.00 0.00 55.95 56.72 1ya8 s SER 245 Cb -0.13 -1.82 0.09 0.00 0.21 0.00 0.00 66.02 64.38 1ya8 s SER 245 CO -0.10 -0.09 0.24 -1.61 0.41 0.00 0.00 173.24 172.09 1ya8 s GLU 246 N 1.50 2.45 -0.93 12.44 2.02 -0.87 -1.71 118.70 133.59 1ya8 s GLU 246 Ca 0.04 -1.57 -0.04 0.00 0.02 0.00 0.00 54.97 53.43 1ya8 s GLU 246 Cb -0.16 -3.72 -0.04 0.00 0.10 0.00 0.00 34.13 30.31 1ya8 s GLU 246 CO -0.00 -0.99 0.83 0.43 0.02 0.00 0.00 175.26 175.55 1ya8 n SER 247 N 4.83 -6.99 0.00 -0.19 7.64 -0.17 -0.90 113.62 117.84 1ya8 n SER 247 Ca -0.08 -0.48 0.00 0.00 1.01 0.00 0.00 58.87 59.32 1ya8 n SER 247 Cb 0.42 -5.19 0.00 0.00 -1.01 0.00 0.00 64.21 58.44 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 -1.42 3.12 3.36 0.23 0.00 -1.26 -2.26 105.19 106.96 1ya8 n GLY 248 Ca -0.04 -0.04 -0.20 0.00 0.00 0.00 0.00 46.02 45.73 1ya8 n GLY 248 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ya8 s VAL 249 N 0.00 0.29 0.25 1.61 -7.23 -1.26 -3.10 120.40 110.95 1ya8 s VAL 249 Ca 0.00 -2.00 0.27 0.00 -1.81 0.00 0.00 61.98 58.44 1ya8 s VAL 249 Cb 0.00 -2.47 0.27 0.00 0.56 0.00 0.00 36.38 34.74 1ya8 s VAL 249 CO 0.00 0.00 1.95 0.00 -0.31 0.00 0.00 175.10 176.74 1ya8 h ALA 250 N 2.11 1.11 0.00 1.32 0.00 -1.85 -2.12 119.26 119.83 1ya8 h ALA 250 Ca -0.32 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1ya8 h ALA 250 Cb 1.25 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1ya8 h ALA 250 CO 0.49 0.20 0.00 -0.07 0.00 0.00 0.00 179.25 179.87 1ya8 h LEU 251 N 0.00 0.00 -7.61 0.00 3.38 -1.95 -3.40 115.31 105.73 1ya8 h LEU 251 Ca -0.00 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.70 1ya8 h LEU 251 Cb 0.56 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.35 1ya8 h LEU 251 CO 0.02 0.00 0.72 0.41 0.09 0.00 0.00 178.44 179.68 1ya8 n THR 252 N -2.51 0.33 -0.03 0.22 -1.04 -0.80 -4.78 114.28 105.67 1ya8 n THR 252 Ca 0.04 -0.33 -0.01 0.00 -2.04 0.00 0.00 64.05 61.72 1ya8 n THR 252 Cb 0.39 -2.04 -0.01 0.00 -1.82 0.00 0.00 70.33 66.86 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 15.04 -0.07 -0.14 8.00 7.64 -1.26 -2.07 113.62 140.76 1ya8 n SER 253 Ca 0.44 0.41 0.12 0.00 1.01 0.00 0.00 58.87 60.84 1ya8 n SER 253 Cb 0.45 -0.16 0.18 0.00 -1.01 0.00 0.00 64.21 63.67 1ya8 n SER 253 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1ya8 n VAL 254 N -2.72 0.00 0.86 0.44 3.14 -1.26 0.14 118.33 118.93 1ya8 n VAL 254 Ca 0.00 0.38 0.09 0.00 -2.96 0.00 0.00 64.34 61.85 1ya8 n VAL 254 Cb 0.02 -0.64 -0.02 0.00 -1.06 0.00 0.00 33.84 32.13 1ya8 n VAL 254 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1ya8 n LEU 255 N -2.24 1.62 -4.02 6.55 4.77 -0.88 -4.80 117.00 118.00 1ya8 n LEU 255 Ca 0.10 -0.71 -0.31 0.00 -0.03 0.00 0.00 56.01 55.06 1ya8 n LEU 255 Cb 0.49 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.44 1ya8 n LEU 255 CO 0.10 0.32 -0.31 -0.69 -1.33 0.00 0.00 177.39 175.47 1ya8 s VAL 256 N -2.30 2.36 -0.52 4.08 1.01 0.38 -0.96 120.40 124.45 1ya8 s VAL 256 Ca 0.14 -2.38 -0.28 0.00 0.00 0.00 0.00 61.98 59.45 1ya8 s VAL 256 Cb 0.15 -2.73 0.01 0.00 0.00 0.00 0.00 36.38 33.81 1ya8 s VAL 256 CO 0.54 -0.62 1.46 -0.54 0.00 0.00 0.00 175.10 175.94 1ya8 s LYS 257 N 0.85 3.33 0.59 2.72 -0.14 0.14 -4.93 119.74 122.30 1ya8 s LYS 257 Ca 0.11 0.62 -0.02 0.00 -1.36 0.00 0.00 55.97 55.32 1ya8 s LYS 257 Cb -0.20 -4.12 0.12 0.00 -1.68 0.00 0.00 37.83 31.95 1ya8 s LYS 257 CO -0.07 -1.90 0.81 1.63 -0.76 0.00 0.00 175.35 175.06 1ya8 n LYS 258 N 8.55 -0.08 0.00 1.68 5.02 -1.26 -4.61 118.16 127.46 1ya8 n LYS 258 Ca 0.14 -2.06 0.00 0.00 -2.02 0.00 0.00 58.31 54.37 1ya8 n LYS 258 Cb 0.49 -0.58 0.00 0.00 -0.02 0.00 0.00 35.03 34.92 1ya8 n LYS 258 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ya8 n GLY 259 N -1.07 -1.46 3.66 0.72 0.00 -1.26 -4.69 105.19 101.09 1ya8 n GLY 259 Ca 0.13 -1.25 -0.43 0.00 0.00 0.00 0.00 46.02 44.47 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 -4.00 7.03 0.10 1.61 2.15 -1.26 -4.90 116.67 117.40 1ya8 s ASP 260 Ca 0.00 1.53 0.24 0.00 0.43 0.00 0.00 52.55 54.75 1ya8 s ASP 260 Cb 0.00 -2.54 0.30 0.00 -0.30 0.00 0.00 42.92 40.38 1ya8 s ASP 260 CO 0.00 -0.71 1.27 1.33 -0.17 0.00 0.00 175.17 176.89 1ya8 n VAL 261 N 5.33 0.30 -0.33 1.11 0.24 -1.26 -4.36 118.33 119.36 1ya8 n VAL 261 Ca 0.13 -0.25 0.20 0.00 -2.04 0.00 0.00 64.34 62.37 1ya8 n VAL 261 Cb 0.45 -0.05 0.39 0.00 -1.47 0.00 0.00 33.84 33.16 1ya8 n VAL 261 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 1ya8 h LYS 262 N 0.00 0.04 0.35 7.34 1.63 -1.83 -1.56 116.57 122.55 1ya8 h LYS 262 Ca 0.00 -0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.78 1ya8 h LYS 262 Cb 0.73 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.35 1ya8 h LYS 262 CO 0.00 0.03 -0.17 -1.35 -3.45 0.00 0.00 179.45 174.51 1ya8 h PRO 263 N 0.04 -0.46 -0.35 1.90 0.11 -1.96 -1.51 132.00 129.78 1ya8 h PRO 263 Ca 0.67 0.03 0.10 0.00 0.11 0.00 0.00 66.00 66.92 1ya8 h PRO 263 Cb 1.54 0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.74 1ya8 h PRO 263 CO -0.83 -0.30 0.33 1.25 -0.21 0.00 0.00 178.00 178.24 1ya8 h LEU 264 N -0.48 0.00 0.03 2.35 7.12 -1.59 0.67 115.31 123.41 1ya8 h LEU 264 Ca -0.05 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 57.96 1ya8 h LEU 264 Cb 0.37 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.50 1ya8 h LEU 264 CO 0.08 0.00 -0.01 0.00 -0.13 0.00 0.00 178.44 178.37 1ya8 h ALA 265 N 1.67 -0.04 -0.92 1.25 0.00 -1.16 -1.27 119.26 118.79 1ya8 h ALA 265 Ca 0.17 -0.27 0.07 0.00 0.00 0.00 0.00 54.91 54.87 1ya8 h ALA 265 Cb 0.82 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.56 1ya8 h ALA 265 CO -0.00 -0.24 0.58 0.93 0.00 0.00 0.00 179.25 180.52 1ya8 h GLU 266 N -0.61 1.01 0.00 0.00 5.08 -0.04 0.66 114.58 120.69 1ya8 h GLU 266 Ca -0.00 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1ya8 h GLU 266 Cb 0.56 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1ya8 h GLU 266 CO 0.01 0.67 -0.00 0.37 -1.00 0.00 0.00 179.01 179.05 1ya8 h GLN 267 N 1.04 -0.00 -0.45 2.33 4.15 -0.91 0.19 115.11 121.46 1ya8 h GLN 267 Ca 0.40 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.81 1ya8 h GLN 267 Cb 0.20 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.87 1ya8 h GLN 267 CO -0.18 0.10 0.23 0.82 -1.93 0.00 0.00 178.83 177.86 1ya8 h ILE 268 N -0.10 1.17 -0.14 2.39 2.04 -0.47 -0.63 117.51 121.77 1ya8 h ILE 268 Ca -0.00 -0.47 0.05 0.00 1.00 0.00 0.00 64.86 65.44 1ya8 h ILE 268 Cb 0.10 0.66 -0.06 0.00 -0.74 0.00 0.00 36.82 36.78 1ya8 h ILE 268 CO 0.00 0.19 -0.28 0.00 0.00 0.00 0.00 178.15 178.06 1ya8 h ALA 269 N 1.08 -0.28 -0.32 1.87 0.00 0.70 -0.17 119.26 122.14 1ya8 h ALA 269 Ca 0.16 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1ya8 h ALA 269 Cb 0.09 0.54 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1ya8 h ALA 269 CO -0.02 -0.74 0.20 0.82 0.00 0.00 0.00 179.25 179.50 1ya8 h ILE 270 N -0.34 1.11 -0.55 0.00 2.04 -0.43 0.22 117.51 119.55 1ya8 h ILE 270 Ca 0.10 -0.24 0.03 0.00 1.00 0.00 0.00 64.86 65.75 1ya8 h ILE 270 Cb 0.50 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 37.24 1ya8 h ILE 270 CO -0.34 0.10 0.36 0.74 0.00 0.00 0.00 178.15 179.02 1ya8 h THR 271 N 0.42 1.07 -0.00 -0.27 2.02 -0.70 0.68 112.91 116.13 1ya8 h THR 271 Ca 0.12 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 67.08 1ya8 h THR 271 Cb 0.00 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 66.79 1ya8 h THR 271 CO -0.02 0.12 -0.01 0.00 0.37 0.00 0.00 175.52 175.97 1ya8 n ALA 272 N -2.47 2.46 -1.79 6.16 0.00 -0.11 -4.90 120.51 119.86 1ya8 n ALA 272 Ca 0.06 -0.14 -0.01 0.00 0.00 0.00 0.00 53.44 53.36 1ya8 n ALA 272 Cb 0.13 -1.47 0.01 0.00 0.00 0.00 0.00 19.45 18.12 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 1.36 0.64 3.15 0.00 0.00 0.24 -5.07 105.19 105.50 1ya8 n GLY 273 Ca 0.12 -0.30 -0.19 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.35 1.47 -0.14 0.00 1.02 -1.26 -3.92 119.74 115.56 1ya8 s LYS 275 Ca -0.00 1.59 0.15 0.00 0.02 0.00 0.00 55.97 57.72 1ya8 s LYS 275 Cb -0.09 -1.77 0.33 0.00 -0.52 0.00 0.00 37.83 35.78 1ya8 s LYS 275 CO 0.02 -2.30 1.17 0.25 -0.92 0.00 0.00 175.35 173.56 1ya8 n THR 276 N -3.71 1.73 -0.17 2.17 -2.24 -1.26 -4.37 114.28 106.43 1ya8 n THR 276 Ca 0.12 -2.39 -0.03 0.00 -2.27 0.00 0.00 64.05 59.48 1ya8 n THR 276 Cb 0.52 -0.09 0.03 0.00 -2.10 0.00 0.00 70.33 68.69 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 1.47 0.39 -3.65 4.28 2.02 -1.96 -3.44 112.91 112.02 1ya8 h THR 277 Ca -0.02 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.09 1ya8 h THR 277 Cb 1.10 0.39 -0.13 0.00 -1.74 0.00 0.00 68.15 67.76 1ya8 h THR 277 CO 0.01 0.00 -0.24 0.42 0.37 0.00 0.00 175.52 176.07 1ya8 s THR 278 N -6.18 0.10 0.15 3.16 -4.23 -1.26 -5.02 115.64 102.36 1ya8 s THR 278 Ca -0.14 -0.97 -0.24 0.00 -1.18 0.00 0.00 61.69 59.15 1ya8 s THR 278 Cb 0.17 -1.34 0.01 0.00 1.34 0.00 0.00 72.50 72.67 1ya8 s THR 278 CO 0.72 -0.47 1.62 0.28 -0.54 0.00 0.00 174.62 176.22 1ya8 h SER 279 N 2.57 -0.88 -0.92 3.99 0.02 -1.95 0.31 113.55 116.68 1ya8 h SER 279 Ca -0.34 0.15 0.13 0.00 -0.84 0.00 0.00 61.79 60.89 1ya8 h SER 279 Cb 1.22 0.40 -0.07 0.00 0.14 0.00 0.00 62.40 64.09 1ya8 h SER 279 CO 0.51 -0.31 0.59 0.00 -1.14 0.00 0.00 176.83 176.48 1ya8 h ALA 280 N 0.64 1.70 -0.05 3.77 0.00 -1.97 0.16 119.26 123.50 1ya8 h ALA 280 Ca 0.12 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1ya8 h ALA 280 Cb 0.50 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1ya8 h ALA 280 CO -0.38 0.07 0.02 0.28 0.00 0.00 0.00 179.25 179.24 1ya8 h VAL 281 N 0.82 1.16 0.58 0.00 2.07 -1.50 -1.48 116.25 117.90 1ya8 h VAL 281 Ca 0.46 -0.48 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 1ya8 h VAL 281 Cb 0.58 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 1ya8 h VAL 281 CO -0.22 0.13 -0.41 0.24 0.02 0.00 0.00 177.57 177.33 1ya8 h MET 282 N -0.10 -0.92 -0.88 1.57 0.00 0.35 -1.42 114.93 113.53 1ya8 h MET 282 Ca 0.02 0.06 0.18 0.00 0.00 0.00 0.00 59.70 59.95 1ya8 h MET 282 Cb 0.20 0.21 -0.11 0.00 0.00 0.00 0.00 31.60 31.90 1ya8 h MET 282 CO -0.00 -0.61 0.44 0.28 0.00 0.00 0.00 176.91 177.02 1ya8 h VAL 283 N -0.95 0.64 -0.41 -2.22 2.07 -0.76 -0.43 116.25 114.19 1ya8 h VAL 283 Ca -0.07 -0.19 -0.09 0.00 0.82 0.00 0.00 66.70 67.17 1ya8 h VAL 283 Cb 0.79 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 1ya8 h VAL 283 CO 0.03 0.10 -0.12 -0.74 0.02 0.00 0.00 177.57 176.87 1ya8 h HIS 284 N 0.57 0.80 -0.13 1.57 -0.00 -0.98 -1.78 115.15 115.20 1ya8 h HIS 284 Ca 0.51 -0.14 -0.10 0.00 -0.00 0.00 0.00 60.37 60.63 1ya8 h HIS 284 Cb 0.81 -0.21 0.00 0.00 -0.00 0.00 0.00 27.41 28.02 1ya8 h HIS 284 CO -0.10 0.81 -0.31 0.00 -0.00 0.00 0.00 177.93 178.34 1ya8 h LEU 286 N 0.02 0.01 -1.17 0.00 3.38 -1.09 -1.47 115.31 115.00 1ya8 h LEU 286 Ca -0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ya8 h LEU 286 Cb 0.92 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.66 1ya8 h LEU 286 CO 0.07 0.23 0.00 0.03 0.09 0.00 0.00 178.44 178.86 1ya8 h ARG 287 N 0.01 0.00 0.00 1.13 3.08 -1.29 -2.64 114.38 114.67 1ya8 h ARG 287 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1ya8 h ARG 287 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.46 1ya8 h ARG 287 CO 0.03 0.00 -0.54 1.96 -1.07 0.00 0.00 179.97 180.35 1ya8 h GLN 288 N 0.00 0.00 -7.09 0.04 1.08 -1.19 -3.47 115.11 104.48 1ya8 h GLN 288 Ca 0.00 0.00 -0.48 0.00 -1.45 0.00 0.00 58.65 56.72 1ya8 h GLN 288 Cb 0.53 0.00 0.03 0.00 -0.05 0.00 0.00 27.48 28.00 1ya8 h GLN 288 CO 0.00 0.00 0.39 0.15 -0.95 0.00 0.00 178.83 178.42 1ya8 s LYS 289 N -3.17 3.70 0.61 1.46 -0.14 -1.00 -5.04 119.74 116.16 1ya8 s LYS 289 Ca 0.06 1.36 -0.13 0.00 -1.36 0.00 0.00 55.97 55.90 1ya8 s LYS 289 Cb 0.13 -2.08 -0.04 0.00 -1.68 0.00 0.00 37.83 34.16 1ya8 s LYS 289 CO 0.71 -0.52 1.03 0.95 -0.76 0.00 0.00 175.35 176.76 1ya8 s THR 290 N -2.02 4.29 0.22 2.17 -4.23 -1.26 -4.88 115.64 109.92 1ya8 s THR 290 Ca 0.67 0.90 -0.08 0.00 -1.18 0.00 0.00 61.69 62.00 1ya8 s THR 290 Cb -0.17 -3.60 0.16 0.00 1.34 0.00 0.00 72.50 70.23 1ya8 s THR 290 CO 0.23 -0.82 1.74 -0.08 -0.54 0.00 0.00 174.62 175.15 1ya8 h GLU 291 N 0.05 0.39 -0.91 3.99 4.81 -1.97 -1.17 114.58 119.76 1ya8 h GLU 291 Ca -0.45 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 58.77 1ya8 h GLU 291 Cb 1.20 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 30.45 1ya8 h GLU 291 CO 0.59 0.26 0.61 0.93 -0.73 0.00 0.00 179.01 180.67 1ya8 h GLU 292 N 0.40 1.20 -0.39 1.92 3.07 -1.99 -1.92 114.58 116.86 1ya8 h GLU 292 Ca 0.33 -0.07 -0.04 0.00 -0.50 0.00 0.00 59.36 59.07 1ya8 h GLU 292 Cb 0.43 -0.27 -0.02 0.00 -0.84 0.00 0.00 28.75 28.06 1ya8 h GLU 292 CO -0.34 0.79 0.07 0.93 -1.40 0.00 0.00 179.01 179.07 1ya8 h GLU 293 N 1.23 0.64 0.00 2.33 5.08 -1.61 -1.50 114.58 120.75 1ya8 h GLU 293 Ca 0.34 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.51 1ya8 h GLU 293 Cb -0.13 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.04 1ya8 h GLU 293 CO -0.08 0.68 -0.12 -0.07 -1.00 0.00 0.00 179.01 178.43 1ya8 h LEU 294 N 0.49 0.00 0.11 1.33 3.38 -1.00 -0.59 115.31 119.03 1ya8 h LEU 294 Ca 0.12 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.80 1ya8 h LEU 294 Cb 0.35 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.13 1ya8 h LEU 294 CO 0.01 0.12 -1.20 0.25 0.09 0.00 0.00 178.44 177.70 1ya8 h LEU 295 N 0.00 0.87 -0.71 1.67 5.85 -0.96 -1.23 115.31 120.80 1ya8 h LEU 295 Ca -0.00 -0.82 -0.03 0.00 0.84 0.00 0.00 57.88 57.87 1ya8 h LEU 295 Cb 0.38 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 1ya8 h LEU 295 CO 0.02 1.60 0.33 -0.33 -0.34 0.00 0.00 178.44 179.71 1ya8 h GLU 296 N 0.26 1.03 -0.96 1.25 5.08 -0.71 0.77 114.58 121.31 1ya8 h GLU 296 Ca -0.18 -0.16 0.02 0.00 -1.00 0.00 0.00 59.36 58.04 1ya8 h GLU 296 Cb 1.88 -0.18 -0.05 0.00 0.50 0.00 0.00 28.75 30.90 1ya8 h GLU 296 CO 0.23 0.82 0.63 1.15 -1.00 0.00 0.00 179.01 180.84 1ya8 h THR 297 N 0.99 1.21 -0.17 1.13 2.02 -1.11 -0.46 112.91 116.53 1ya8 h THR 297 Ca 0.24 -0.43 -0.04 0.00 0.77 0.00 0.00 66.41 66.95 1ya8 h THR 297 Cb 0.14 -0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.38 1ya8 h THR 297 CO -0.03 0.23 -0.06 0.74 0.37 0.00 0.00 175.52 176.77 1ya8 h THR 298 N 1.26 1.15 0.14 3.16 2.02 0.22 -1.61 112.91 119.24 1ya8 h THR 298 Ca 0.36 -0.60 -0.29 0.00 0.77 0.00 0.00 66.41 66.65 1ya8 h THR 298 Cb -0.09 1.09 0.02 0.00 -1.74 0.00 0.00 68.15 67.43 1ya8 h THR 298 CO -0.10 0.19 -1.27 -0.07 0.37 0.00 0.00 175.52 174.65 1ya8 h LEU 299 N 0.24 0.70 -0.79 2.58 3.38 0.20 -3.22 115.31 118.41 1ya8 h LEU 299 Ca 0.05 -0.68 0.01 0.00 0.09 0.00 0.00 57.88 57.35 1ya8 h LEU 299 Cb 0.27 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 1ya8 h LEU 299 CO 0.01 1.51 0.52 0.11 0.09 0.00 0.00 178.44 180.68 1ya8 h LYS 300 N 0.18 1.02 -0.42 1.13 1.57 -0.83 -2.58 116.57 116.64 1ya8 h LYS 300 Ca -0.18 -0.06 0.09 0.00 -1.87 0.00 0.00 60.65 58.63 1ya8 h LYS 300 Cb 1.95 -0.23 -0.09 0.00 0.08 0.00 0.00 32.23 33.95 1ya8 h LYS 300 CO 0.23 0.67 -0.17 0.52 -0.57 0.00 0.00 179.45 180.14 1ya8 h MET 301 N 1.05 -0.08 -3.97 3.15 2.86 -1.31 -3.47 114.93 113.16 1ya8 h MET 301 Ca 0.29 0.01 -0.12 0.00 -2.06 0.00 0.00 59.70 57.82 1ya8 h MET 301 Cb -0.10 0.02 0.08 0.00 0.06 0.00 0.00 31.60 31.67 1ya8 h MET 301 CO -0.07 -0.05 -0.37 1.63 1.06 0.00 0.00 176.91 179.11 1ya8 n LYS 302 N -5.36 -1.44 0.09 1.72 5.02 -0.97 -5.03 118.16 112.19 1ya8 n LYS 302 Ca 0.03 0.38 -0.04 0.00 -2.02 0.00 0.00 58.31 56.66 1ya8 n LYS 302 Cb 0.27 -3.54 -0.02 0.00 -0.02 0.00 0.00 35.03 31.72 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 -0.56 -0.24 0.00 2.13 -1.00 -1.87 -3.33 116.94 112.07 1ya8 h PHE 303 Ca -0.27 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.51 1ya8 h PHE 303 Cb 1.14 0.08 0.00 0.00 3.61 0.00 0.00 35.95 40.78 1ya8 h PHE 303 CO 0.15 -0.15 0.01 -0.11 -1.61 0.00 0.00 178.31 176.60 1ya8 n LEU 304 N -3.08 0.00 -4.38 1.54 7.94 -1.26 -4.55 117.00 113.20 1ya8 n LEU 304 Ca -0.03 0.03 -0.34 0.00 -1.11 0.00 0.00 56.01 54.56 1ya8 n LEU 304 Cb 0.10 -0.03 -0.14 0.00 0.53 0.00 0.00 43.42 43.88 1ya8 n LEU 304 CO 0.08 -0.03 -0.40 -0.55 -1.11 0.00 0.00 177.39 175.37 1ya8 s SER 305 N -1.87 4.30 0.03 1.96 0.15 -1.25 -4.29 113.70 112.73 1ya8 s SER 305 Ca 0.00 -0.30 -0.30 0.00 0.70 0.00 0.00 55.95 56.05 1ya8 s SER 305 Cb 0.00 -1.70 -0.05 0.00 -1.71 0.00 0.00 66.02 62.56 1ya8 s SER 305 CO 0.00 0.10 1.30 -0.22 1.20 0.00 0.00 173.24 175.62 1ya8 s LEU 306 N 0.73 4.33 0.01 3.45 2.96 -1.23 -5.00 118.68 123.93 1ya8 s LEU 306 Ca -0.04 2.06 -0.21 0.00 -0.22 0.00 0.00 54.13 55.72 1ya8 s LEU 306 Cb -0.15 -3.57 -0.05 0.00 0.50 0.00 0.00 46.19 42.92 1ya8 s LEU 306 CO 0.02 -0.60 0.63 -0.62 -1.32 0.00 0.00 176.35 174.45 1ya8 s ASP 307 N 1.42 7.02 -0.20 3.68 3.68 -1.26 -4.98 116.67 126.03 1ya8 s ASP 307 Ca 0.61 1.22 -0.04 0.00 2.13 0.00 0.00 52.55 56.46 1ya8 s ASP 307 Cb -0.30 -2.38 -0.20 0.00 -1.45 0.00 0.00 42.92 38.58 1ya8 s ASP 307 CO 0.27 0.09 0.03 0.18 0.13 0.00 0.00 175.17 175.87 1ya8 n LEU 308 N 2.71 2.70 -4.81 -1.34 4.77 -1.26 -4.89 117.00 114.89 1ya8 n LEU 308 Ca -0.06 0.07 -0.36 0.00 -0.03 0.00 0.00 56.01 55.63 1ya8 n LEU 308 Cb 0.51 -0.99 -0.06 0.00 -2.33 0.00 0.00 43.42 40.54 1ya8 n LEU 308 CO 0.44 0.84 0.53 -1.10 -1.33 0.00 0.00 177.39 176.77 1ya8 s GLN 309 N -2.53 4.34 0.00 3.23 -1.52 -1.26 -4.93 119.66 116.99 1ya8 s GLN 309 Ca -0.30 1.04 0.00 0.00 -1.95 0.00 0.00 55.36 54.15 1ya8 s GLN 309 Cb 0.08 -2.71 0.00 0.00 -0.22 0.00 0.00 33.01 30.16 1ya8 s GLN 309 CO 0.66 0.27 0.00 0.41 -0.25 0.00 0.00 175.29 176.38 1ya8 n GLY 310 N 0.37 -3.02 3.70 3.09 0.00 -1.26 -4.94 105.19 103.13 1ya8 n GLY 310 Ca 0.01 -2.10 -0.42 0.00 0.00 0.00 0.00 46.02 43.51 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 -1.82 7.29 0.23 1.61 -1.08 -1.26 -4.96 116.67 116.68 1ya8 s ASP 311 Ca 0.00 1.68 -0.07 0.00 -0.52 0.00 0.00 52.55 53.64 1ya8 s ASP 311 Cb 0.00 -2.57 0.37 0.00 -1.46 0.00 0.00 42.92 39.26 1ya8 s ASP 311 CO 0.00 -0.35 1.73 -0.65 0.52 0.00 0.00 175.17 176.42 1ya8 h PRO 312 N 6.91 0.38 -0.14 4.34 0.11 -1.89 -0.29 132.00 141.42 1ya8 h PRO 312 Ca -0.38 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.60 1ya8 h PRO 312 Cb 1.20 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1ya8 h PRO 312 CO 0.79 0.25 -0.33 0.00 -0.21 0.00 0.00 178.00 178.50 1ya8 h ARG 313 N 0.39 0.48 -0.07 1.05 3.08 -1.93 -3.18 114.38 114.21 1ya8 h ARG 313 Ca 0.36 -0.32 -0.04 0.00 0.07 0.00 0.00 59.98 60.05 1ya8 h ARG 313 Cb 0.51 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 1ya8 h ARG 313 CO -0.38 0.93 -0.13 0.93 -1.07 0.00 0.00 179.97 180.25 1ya8 h GLU 314 N 0.09 0.10 -5.18 0.04 5.08 -1.89 -3.39 114.58 109.43 1ya8 h GLU 314 Ca -0.00 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1ya8 h GLU 314 Cb 0.94 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 1ya8 h GLU 314 CO 0.07 0.24 0.17 0.43 -1.00 0.00 0.00 179.01 178.93 1ya8 n SER 315 N -4.33 1.17 -3.48 1.42 7.64 -0.15 -4.82 113.62 111.09 1ya8 n SER 315 Ca -0.02 -1.91 -0.47 0.00 1.01 0.00 0.00 58.87 57.48 1ya8 n SER 315 Cb 0.23 -1.58 -0.07 0.00 -1.01 0.00 0.00 64.21 61.79 1ya8 n SER 315 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ya8 n GLN 316 N 8.06 0.00 0.00 1.43 1.13 -1.26 -4.75 117.38 121.98 1ya8 n GLN 316 Ca 0.42 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.48 1ya8 n GLN 316 Cb 0.44 -1.13 0.00 0.00 0.11 0.00 0.00 30.24 29.65 1ya8 n GLN 316 CO 0.00 0.00 0.00 -2.30 -1.44 0.00 0.00 177.06 173.32 1ya8 n PRO 317 N 1.85 0.00 0.00 -1.09 -0.02 -1.26 -5.03 135.00 129.46 1ya8 n PRO 317 Ca 0.18 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 1ya8 n PRO 317 Cb 0.02 -0.72 0.00 0.00 -0.02 0.00 0.00 33.50 32.78 1ya8 n PRO 317 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1ya8 n LEU 318 N -0.40 0.00 -3.64 2.45 4.77 -1.26 -4.91 117.00 114.01 1ya8 n LEU 318 Ca 0.00 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.94 1ya8 n LEU 318 Cb 0.00 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.02 1ya8 n LEU 318 CO 0.00 0.00 0.59 -1.48 -1.33 0.00 0.00 177.39 175.17 1ya8 s LEU 319 N 0.00 -0.63 0.00 2.23 2.34 -1.26 -5.07 118.68 116.29 1ya8 s LEU 319 Ca 0.00 1.01 0.00 0.00 0.06 0.00 0.00 54.13 55.20 1ya8 s LEU 319 Cb 0.00 1.93 0.00 0.00 -0.56 0.00 0.00 46.19 47.56 1ya8 s LEU 319 CO 0.00 -0.16 0.00 0.61 -1.06 0.00 0.00 176.35 175.74 1ya8 n GLY 320 N 3.83 2.48 3.72 -3.48 0.00 -1.26 -4.93 105.19 105.55 1ya8 n GLY 320 Ca -0.19 0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 1ya8 n GLY 320 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ya8 s THR 321 N 2.05 3.57 0.34 2.61 2.01 -0.13 -4.61 115.64 121.48 1ya8 s THR 321 Ca 0.00 1.18 0.03 0.00 0.31 0.00 0.00 61.69 63.21 1ya8 s THR 321 Cb 0.00 -3.75 -0.05 0.00 0.01 0.00 0.00 72.50 68.70 1ya8 s THR 321 CO 0.00 0.12 0.07 0.68 -0.69 0.00 0.00 174.62 174.81 1ya8 s VAL 322 N 0.75 1.02 -0.75 3.82 -7.23 -1.26 -0.68 120.40 116.06 1ya8 s VAL 322 Ca 0.60 -2.00 -0.17 0.00 -1.81 0.00 0.00 61.98 58.59 1ya8 s VAL 322 Cb -0.34 -2.68 0.15 0.00 0.56 0.00 0.00 36.38 34.07 1ya8 s VAL 322 CO 0.32 0.00 0.82 -0.63 -0.31 0.00 0.00 175.10 175.30 1ya8 s ILE 323 N -3.31 5.08 -0.05 -0.62 -1.09 -1.26 -4.77 121.20 115.18 1ya8 s ILE 323 Ca 0.33 -1.65 0.12 0.00 -2.23 0.00 0.00 60.65 57.22 1ya8 s ILE 323 Cb 0.07 -4.55 -0.08 0.00 -1.58 0.00 0.00 42.46 36.32 1ya8 s ILE 323 CO 0.15 -1.18 1.25 -2.24 -1.23 0.00 0.00 174.94 171.69 1ya8 h ASP 324 N 8.62 0.00 0.00 3.58 -0.00 -1.84 -3.48 116.42 123.30 1ya8 h ASP 324 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.98 1ya8 h ASP 324 Cb 1.06 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.39 1ya8 h ASP 324 CO 0.99 0.72 0.00 0.61 -0.00 0.00 0.00 179.24 181.56 1ya8 n GLY 325 N 1.32 0.93 0.63 7.15 0.00 -0.11 -4.90 105.19 110.20 1ya8 n GLY 325 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.14 0.00 -0.11 1.61 2.81 -1.26 -4.87 117.12 113.16 1ya8 n MET 326 Ca 0.00 0.00 -0.21 0.00 -1.81 0.00 0.00 57.70 55.68 1ya8 n MET 326 Cb 0.00 -0.49 -0.12 0.00 -0.71 0.00 0.00 33.22 31.90 1ya8 n MET 326 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 1ya8 n LEU 327 N -2.17 2.71 -4.02 4.03 7.94 -1.26 -4.58 117.00 119.65 1ya8 n LEU 327 Ca 0.00 0.02 -0.25 0.00 -1.11 0.00 0.00 56.01 54.67 1ya8 n LEU 327 Cb 0.18 -0.93 -0.17 0.00 0.53 0.00 0.00 43.42 43.03 1ya8 n LEU 327 CO 0.00 0.84 -0.47 -0.76 -1.11 0.00 0.00 177.39 175.89 1ya8 s LEU 328 N -6.83 1.62 0.00 -1.96 1.43 -1.26 -4.11 118.68 107.57 1ya8 s LEU 328 Ca -0.33 -0.32 0.23 0.00 -1.03 0.00 0.00 54.13 52.68 1ya8 s LEU 328 Cb 0.09 -0.87 0.06 0.00 0.03 0.00 0.00 46.19 45.50 1ya8 s LEU 328 CO 0.61 0.02 1.12 0.18 0.23 0.00 0.00 176.35 178.51 1ya8 n LEU 329 N 3.95 1.51 -3.55 1.79 4.77 -1.26 -0.93 117.00 123.27 1ya8 n LEU 329 Ca -0.21 -0.57 -0.08 0.00 -0.03 0.00 0.00 56.01 55.12 1ya8 n LEU 329 Cb 0.52 -0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 41.55 1ya8 n LEU 329 CO 0.24 0.30 0.66 -0.54 -1.33 0.00 0.00 177.39 176.73 1ya8 s LYS 330 N -2.67 0.96 0.53 3.23 1.02 -1.26 -4.87 119.74 116.68 1ya8 s LYS 330 Ca 0.16 -0.40 -0.21 0.00 0.02 0.00 0.00 55.97 55.53 1ya8 s LYS 330 Cb 0.18 0.41 -0.07 0.00 -0.52 0.00 0.00 37.83 37.83 1ya8 s LYS 330 CO 0.66 -0.42 1.04 0.25 -0.92 0.00 0.00 175.35 175.96 1ya8 n THR 331 N -0.31 3.23 -0.33 2.17 -2.24 -1.26 -4.69 114.28 110.85 1ya8 n THR 331 Ca -0.09 -0.50 0.19 0.00 -2.27 0.00 0.00 64.05 61.38 1ya8 n THR 331 Cb 0.62 -1.25 0.44 0.00 -2.10 0.00 0.00 70.33 68.04 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 1.04 0.50 -0.23 -0.78 0.11 -1.99 -0.15 132.00 130.49 1ya8 h PRO 332 Ca -0.48 -0.03 0.05 0.00 0.11 0.00 0.00 66.00 65.66 1ya8 h PRO 332 Cb 1.34 -0.11 -0.05 0.00 0.11 0.00 0.00 31.00 32.29 1ya8 h PRO 332 CO 0.54 0.33 -0.10 0.93 -0.21 0.00 0.00 178.00 179.49 1ya8 h GLU 333 N 0.52 -0.06 -0.27 1.05 3.07 -1.92 -1.71 114.58 115.25 1ya8 h GLU 333 Ca 0.61 0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 59.35 1ya8 h GLU 333 Cb 1.31 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 29.22 1ya8 h GLU 333 CO -0.37 -0.04 -0.35 0.93 -1.40 0.00 0.00 179.01 177.78 1ya8 h GLU 334 N -0.07 0.59 -0.58 2.33 5.08 -1.38 -3.25 114.58 117.30 1ya8 h GLU 334 Ca 0.12 -0.28 -0.05 0.00 -1.00 0.00 0.00 59.36 58.15 1ya8 h GLU 334 Cb 0.25 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 1ya8 h GLU 334 CO -0.27 0.86 0.16 -0.07 -1.00 0.00 0.00 179.01 178.68 1ya8 h LEU 335 N 0.50 0.87 -1.70 1.33 3.38 -0.90 -3.07 115.31 115.73 1ya8 h LEU 335 Ca 0.05 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 1ya8 h LEU 335 Cb 0.84 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1ya8 h LEU 335 CO 0.07 0.86 0.16 1.56 0.09 0.00 0.00 178.44 181.18 1ya8 h GLN 336 N 0.83 0.36 -0.94 1.13 4.20 -1.36 -1.59 115.11 117.74 1ya8 h GLN 336 Ca 0.19 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.87 1ya8 h GLN 336 Cb 0.32 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.02 1ya8 h GLN 336 CO -0.00 0.26 0.00 0.00 -0.67 0.00 0.00 178.83 178.41 1ya8 n ALA 337 N -2.50 2.35 -3.70 3.87 0.00 -1.16 -4.51 120.51 114.87 1ya8 n ALA 337 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.15 1ya8 n ALA 337 Cb 0.08 -1.00 -0.14 0.00 0.00 0.00 0.00 19.45 18.40 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 -0.74 1.01 0.00 0.00 2.12 -0.60 -5.00 118.70 115.48 1ya8 s GLU 338 Ca 0.00 -1.59 -0.06 0.00 0.36 0.00 0.00 54.97 53.68 1ya8 s GLU 338 Cb 0.00 -2.13 -0.26 0.00 0.26 0.00 0.00 34.13 32.01 1ya8 s GLU 338 CO 0.00 -1.10 3.49 0.54 -0.54 0.00 0.00 175.26 177.65 1ya8 n ARG 339 N 4.09 1.91 -0.50 4.30 3.00 -1.26 -3.97 116.66 124.22 1ya8 n ARG 339 Ca 0.05 -0.95 0.05 0.00 -0.01 0.00 0.00 57.85 56.99 1ya8 n ARG 339 Cb 0.38 -1.97 0.09 0.00 0.00 0.00 0.00 32.46 30.96 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 2.52 1.35 -2.37 0.55 4.13 -1.26 -5.05 115.26 115.12 1ya8 n ASN 340 Ca 0.41 -2.76 -0.04 0.00 1.68 0.00 0.00 54.58 53.87 1ya8 n ASN 340 Cb 0.88 -0.36 -0.00 0.00 -1.54 0.00 0.00 39.78 38.75 1ya8 n ASN 340 CO 0.00 0.00 0.00 0.33 0.28 0.00 0.00 177.26 177.87 1ya8 n PHE 341 N -0.68 -0.85 -3.00 3.10 7.35 -1.25 -5.10 117.46 117.02 1ya8 n PHE 341 Ca 0.10 -0.32 -0.40 0.00 -0.76 0.00 0.00 57.45 56.08 1ya8 n PHE 341 Cb 0.74 -0.05 -0.05 0.00 0.35 0.00 0.00 39.48 40.47 1ya8 n PHE 341 CO 0.00 0.00 0.00 -1.58 -0.76 0.00 0.00 176.76 174.42 1ya8 s HIS 342 N -0.66 3.69 -0.06 -5.13 5.04 -1.26 -5.06 115.29 111.84 1ya8 s HIS 342 Ca 0.03 1.41 0.03 0.00 -1.54 0.00 0.00 55.06 54.98 1ya8 s HIS 342 Cb -0.00 -2.81 -0.02 0.00 0.04 0.00 0.00 32.58 29.78 1ya8 s HIS 342 CO 0.02 0.22 -0.14 0.95 -2.34 0.00 0.00 174.74 173.44 1ya8 s THR 343 N 0.21 3.04 0.11 0.89 -4.23 -1.26 -5.01 115.64 109.39 1ya8 s THR 343 Ca 0.38 -0.72 -0.00 0.00 -1.18 0.00 0.00 61.69 60.17 1ya8 s THR 343 Cb -0.20 -2.20 -0.04 0.00 1.34 0.00 0.00 72.50 71.40 1ya8 s THR 343 CO 0.21 0.58 0.00 0.68 -0.54 0.00 0.00 174.62 175.56 1ya8 s VAL 344 N -0.52 0.32 0.03 2.29 -7.23 -1.26 -5.02 120.40 109.01 1ya8 s VAL 344 Ca 0.07 -1.90 -0.33 0.00 -1.81 0.00 0.00 61.98 58.01 1ya8 s VAL 344 Cb -0.12 -1.85 -0.12 0.00 0.56 0.00 0.00 36.38 34.85 1ya8 s VAL 344 CO 0.01 -0.68 1.81 -2.65 -0.31 0.00 0.00 175.10 173.28 1ya8 n PRO 345 N -0.05 2.39 -4.06 4.82 -0.02 -1.26 -4.60 135.00 132.22 1ya8 n PRO 345 Ca -0.09 0.87 -0.29 0.00 -2.02 0.00 0.00 63.50 61.97 1ya8 n PRO 345 Cb 0.62 -2.72 -0.17 0.00 -0.02 0.00 0.00 33.50 31.21 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 3.04 1.95 -0.21 6.00 6.04 -0.25 -1.60 117.35 132.32 1ya8 s TYR 346 Ca 0.86 -1.04 -0.08 0.00 0.04 0.00 0.00 57.07 56.85 1ya8 s TYR 346 Cb -0.61 -1.47 -0.04 0.00 -1.04 0.00 0.00 41.96 38.80 1ya8 s TYR 346 CO 0.44 -0.60 0.08 1.41 -1.54 0.00 0.00 175.55 175.34 1ya8 s MET 347 N 1.46 3.91 0.03 4.97 -2.45 0.31 -1.81 119.30 125.72 1ya8 s MET 347 Ca 0.03 -0.37 0.07 0.00 -1.25 0.00 0.00 55.69 54.17 1ya8 s MET 347 Cb -0.13 -3.29 -0.02 0.00 1.25 0.00 0.00 34.83 32.64 1ya8 s MET 347 CO -0.09 0.13 -0.21 0.08 1.05 0.00 0.00 175.02 175.99 1ya8 s VAL 348 N 0.78 1.65 0.19 10.11 1.01 0.11 -0.96 120.40 133.29 1ya8 s VAL 348 Ca 0.04 -1.10 -0.23 0.00 0.00 0.00 0.00 61.98 60.70 1ya8 s VAL 348 Cb -0.13 -1.41 0.06 0.00 0.00 0.00 0.00 36.38 34.89 1ya8 s VAL 348 CO 0.02 0.28 0.64 -0.83 0.00 0.00 0.00 175.10 175.21 1ya8 s GLY 349 N -0.97 -0.48 0.42 4.51 0.00 -0.70 -2.47 107.32 107.64 1ya8 s GLY 349 Ca 0.08 0.29 0.05 0.00 0.00 0.00 0.00 44.72 45.13 1ya8 s GLY 349 CO 0.01 0.10 0.16 0.29 0.00 0.00 0.00 173.10 173.66 1ya8 n ILE 350 N -0.40 0.00 -4.69 0.90 -5.35 -0.66 -1.00 119.36 108.16 1ya8 n ILE 350 Ca -0.14 -2.49 -0.28 0.00 -0.27 0.00 0.00 62.75 59.57 1ya8 n ILE 350 Cb 0.63 0.92 -0.14 0.00 -1.74 0.00 0.00 39.64 39.32 1ya8 n ILE 350 CO 0.00 0.00 0.00 0.20 -1.76 0.00 0.00 176.55 174.99 1ya8 s ASN 351 N -3.61 2.89 0.27 7.28 0.02 -1.26 -0.79 114.94 119.73 1ya8 s ASN 351 Ca 0.23 -0.60 -0.03 0.00 -1.02 0.00 0.00 52.86 51.45 1ya8 s ASN 351 Cb 0.01 -0.24 0.58 0.00 0.02 0.00 0.00 41.25 41.63 1ya8 s ASN 351 CO 0.16 0.20 1.62 0.50 0.02 0.00 0.00 177.10 179.60 1ya8 h LYS 352 N 4.64 0.10 -2.17 -0.60 1.63 -1.20 -3.16 116.57 115.81 1ya8 h LYS 352 Ca -0.46 -0.01 -0.59 0.00 -0.85 0.00 0.00 60.65 58.75 1ya8 h LYS 352 Cb 1.16 -0.02 -0.41 0.00 -0.60 0.00 0.00 32.23 32.35 1ya8 h LYS 352 CO 0.43 0.06 -0.70 1.04 -3.45 0.00 0.00 179.45 176.83 1ya8 n GLN 353 N -5.36 2.31 -0.16 1.90 6.02 0.14 -4.94 117.38 117.28 1ya8 n GLN 353 Ca 0.18 -4.43 0.15 0.00 -0.01 0.00 0.00 57.00 52.89 1ya8 n GLN 353 Cb 0.60 -2.07 0.51 0.00 1.02 0.00 0.00 30.24 30.29 1ya8 n GLN 353 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1ya8 h GLU 354 N 3.91 0.40 -0.28 -1.09 4.39 -1.66 -1.26 114.58 118.99 1ya8 h GLU 354 Ca 0.16 -0.02 -0.12 0.00 0.34 0.00 0.00 59.36 59.72 1ya8 h GLU 354 Cb 0.68 -0.09 -0.07 0.00 -0.10 0.00 0.00 28.75 29.17 1ya8 h GLU 354 CO 0.76 0.26 -0.11 0.34 -1.16 0.00 0.00 179.01 179.10 1ya8 n PHE 355 N -4.48 0.87 0.18 4.33 -0.00 -1.26 -3.68 117.46 113.42 1ya8 n PHE 355 Ca 0.14 -1.45 0.03 0.00 -0.00 0.00 0.00 57.45 56.17 1ya8 n PHE 355 Cb 0.53 -0.42 0.33 0.00 -0.00 0.00 0.00 39.48 39.91 1ya8 n PHE 355 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 1ya8 h GLY 356 N 1.05 0.00 0.00 7.13 0.00 -1.51 -3.42 103.07 106.32 1ya8 h GLY 356 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.48 1ya8 h GLY 356 CO 0.30 0.00 0.00 1.87 0.00 0.00 0.00 176.54 178.71 1ya8 n TRP 357 N -3.81 -2.37 -0.34 5.60 -0.00 -1.26 -4.97 117.44 110.30 1ya8 n TRP 357 Ca -0.01 0.19 0.00 0.00 -0.00 0.00 0.00 57.50 57.69 1ya8 n TRP 357 Cb 0.48 0.84 0.06 0.00 -0.00 0.00 0.00 31.31 32.70 1ya8 n TRP 357 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 177.69 178.94 1ya8 h LEU 358 N 0.00 -1.20 0.00 5.87 5.85 -1.90 0.28 115.31 124.21 1ya8 h LEU 358 Ca 0.00 0.29 -0.00 0.00 0.84 0.00 0.00 57.88 59.01 1ya8 h LEU 358 Cb 0.00 0.67 0.00 0.00 0.37 0.00 0.00 40.66 41.70 1ya8 h LEU 358 CO 0.00 -0.30 -0.00 0.40 -0.34 0.00 0.00 178.44 178.20 1ya8 h ILE 359 N -0.03 1.36 0.00 4.05 2.04 -1.90 -1.21 117.51 121.82 1ya8 h ILE 359 Ca 0.36 -1.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.15 1ya8 h ILE 359 Cb 0.62 2.08 -0.00 0.00 -0.74 0.00 0.00 36.82 38.78 1ya8 h ILE 359 CO -0.93 0.28 -0.05 -0.65 0.00 0.00 0.00 178.15 176.80 1ya8 h PRO 360 N -0.46 0.00 0.22 2.37 0.11 -1.60 -2.71 132.00 129.94 1ya8 h PRO 360 Ca -0.00 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 1ya8 h PRO 360 Cb 0.45 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.57 1ya8 h PRO 360 CO 0.00 0.05 -0.11 1.98 -0.21 0.00 0.00 178.00 179.71 1ya8 h MET 361 N 0.00 -0.29 -0.04 1.05 1.85 -0.35 0.10 114.93 117.25 1ya8 h MET 361 Ca -0.00 0.02 0.01 0.00 -0.61 0.00 0.00 59.70 59.12 1ya8 h MET 361 Cb 0.13 0.07 -0.00 0.00 0.43 0.00 0.00 31.60 32.22 1ya8 h MET 361 CO 0.01 -0.19 0.46 -0.07 -0.40 0.00 0.00 176.91 176.72 1ya8 h LEU 363 N -0.95 0.00 -1.89 3.39 3.38 -1.12 0.36 115.31 118.48 1ya8 h LEU 363 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1ya8 h LEU 363 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1ya8 h LEU 363 CO 0.05 0.00 0.00 0.23 0.09 0.00 0.00 178.44 178.81 1ya8 n MET 364 N -2.89 1.68 -3.51 1.13 2.81 -1.03 -4.78 117.12 110.54 1ya8 n MET 364 Ca -0.01 -1.70 -0.22 0.00 -1.81 0.00 0.00 57.70 53.97 1ya8 n MET 364 Cb 0.51 -1.35 0.08 0.00 -0.71 0.00 0.00 33.22 31.75 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 1.01 -5.65 -4.73 7.83 7.64 0.13 -3.47 113.62 116.37 1ya8 n SER 365 Ca 0.12 -0.52 -0.42 0.00 1.01 0.00 0.00 58.87 59.06 1ya8 n SER 365 Cb 0.45 -4.77 -0.02 0.00 -1.01 0.00 0.00 64.21 58.86 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 -4.76 2.75 -2.20 1.43 9.36 0.33 -4.85 117.16 119.22 1ya8 n TYR 366 Ca -0.02 0.28 -0.32 0.00 3.32 0.00 0.00 57.90 61.16 1ya8 n TYR 366 Cb 0.57 -2.58 -0.05 0.00 -0.63 0.00 0.00 39.34 36.66 1ya8 n TYR 366 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 1ya8 s PRO 367 N -0.48 2.87 -0.38 2.98 0.04 -1.26 -4.63 135.00 134.14 1ya8 s PRO 367 Ca 0.65 -1.35 0.12 0.00 0.04 0.00 0.00 61.00 60.46 1ya8 s PRO 367 Cb -0.52 -5.31 0.38 0.00 0.04 0.00 0.00 34.50 29.09 1ya8 s PRO 367 CO 0.49 -3.53 0.95 1.28 0.04 0.00 0.00 177.00 176.23 1ya8 n LEU 368 N 12.85 0.04 -0.02 -3.56 4.77 -1.26 -4.94 117.00 124.87 1ya8 n LEU 368 Ca 0.46 -4.18 -0.20 0.00 -0.03 0.00 0.00 56.01 52.06 1ya8 n LEU 368 Cb 0.46 0.58 -0.13 0.00 -2.33 0.00 0.00 43.42 42.00 1ya8 n LEU 368 CO 0.70 1.99 -0.19 0.77 -1.33 0.00 0.00 177.39 179.32 1ya8 h SER 369 N 2.86 0.26 0.00 -1.43 4.64 -1.94 -3.31 113.55 114.63 1ya8 h SER 369 Ca -0.05 -0.84 0.00 0.00 -0.47 0.00 0.00 61.79 60.43 1ya8 h SER 369 Cb 1.10 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 1ya8 h SER 369 CO 0.35 1.43 0.00 -1.84 -0.87 0.00 0.00 176.83 175.91 1ya8 n GLU 370 N -4.18 0.18 -1.42 4.77 0.00 -1.26 -4.80 120.64 113.93 1ya8 n GLU 370 Ca -0.21 0.00 -0.12 0.00 0.00 0.00 0.00 57.16 56.83 1ya8 n GLU 370 Cb 0.77 -1.13 -0.05 0.00 0.00 0.00 0.00 31.44 31.03 1ya8 n GLU 370 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1ya8 n GLY 371 N -0.40 0.99 3.45 -1.84 0.00 -1.25 -4.91 105.19 101.23 1ya8 n GLY 371 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.14 1.28 0.19 1.61 -2.07 -1.26 -4.71 119.66 111.56 1ya8 s GLN 372 Ca 0.00 -0.76 -0.08 0.00 -1.82 0.00 0.00 55.36 52.70 1ya8 s GLN 372 Cb 0.00 0.52 -0.01 0.00 -1.09 0.00 0.00 33.01 32.42 1ya8 s GLN 372 CO 0.00 -0.54 0.30 -1.17 -1.32 0.00 0.00 175.29 172.57 1ya8 s LEU 373 N -2.83 0.83 0.02 2.60 2.96 -0.80 -4.95 118.68 116.51 1ya8 s LEU 373 Ca 0.06 -1.00 -0.01 0.00 -0.22 0.00 0.00 54.13 52.96 1ya8 s LEU 373 Cb -0.00 1.17 -0.02 0.00 0.50 0.00 0.00 46.19 47.84 1ya8 s LEU 373 CO -0.07 -0.95 -0.02 1.51 -1.32 0.00 0.00 176.35 175.50 1ya8 s ASP 374 N -3.02 0.26 0.15 3.68 -4.77 -1.26 -4.56 116.67 107.14 1ya8 s ASP 374 Ca 0.23 -0.54 -0.03 0.00 -3.30 0.00 0.00 52.55 48.91 1ya8 s ASP 374 Cb 0.03 0.12 0.29 0.00 -1.09 0.00 0.00 42.92 42.27 1ya8 s ASP 374 CO 0.05 -0.35 0.83 0.00 0.70 0.00 0.00 175.17 176.41 1ya8 n GLN 375 N 1.38 -0.05 0.26 2.11 1.13 -1.26 -0.79 117.38 120.17 1ya8 n GLN 375 Ca -0.23 0.82 -0.14 0.00 -1.94 0.00 0.00 57.00 55.52 1ya8 n GLN 375 Cb 0.56 -1.25 -0.07 0.00 0.11 0.00 0.00 30.24 29.58 1ya8 n GLN 375 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 1ya8 h LYS 376 N 0.00 -0.67 -0.01 -1.09 1.57 -2.00 -1.48 116.57 112.89 1ya8 h LYS 376 Ca 0.27 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 1ya8 h LYS 376 Cb 0.46 0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.92 1ya8 h LYS 376 CO -0.54 -0.36 0.02 1.15 -0.57 0.00 0.00 179.45 179.15 1ya8 h THR 377 N -1.01 0.24 0.15 -0.16 2.02 -1.53 -1.42 112.91 111.21 1ya8 h THR 377 Ca -0.07 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.10 1ya8 h THR 377 Cb 0.61 0.98 0.00 0.00 -1.74 0.00 0.00 68.15 68.01 1ya8 h THR 377 CO 0.12 0.00 -0.07 0.00 0.37 0.00 0.00 175.52 175.94 1ya8 h ALA 378 N 1.96 -0.20 -0.99 6.16 0.00 -0.84 0.13 119.26 125.49 1ya8 h ALA 378 Ca 0.00 -0.20 0.13 0.00 0.00 0.00 0.00 54.91 54.85 1ya8 h ALA 378 Cb 0.05 0.08 -0.09 0.00 0.00 0.00 0.00 17.79 17.83 1ya8 h ALA 378 CO -0.00 -0.23 0.61 0.52 0.00 0.00 0.00 179.25 180.15 1ya8 h MET 379 N -0.96 0.92 -0.31 0.00 2.07 -0.80 0.58 114.93 116.44 1ya8 h MET 379 Ca -0.02 -0.06 -0.17 0.00 -2.07 0.00 0.00 59.70 57.38 1ya8 h MET 379 Cb 0.46 -0.21 -0.00 0.00 -1.87 0.00 0.00 31.60 29.98 1ya8 h MET 379 CO 0.03 0.61 -0.49 1.03 1.07 0.00 0.00 176.91 179.16 1ya8 h SER 380 N 0.95 0.94 -0.15 1.22 0.87 -1.33 -1.72 113.55 114.33 1ya8 h SER 380 Ca 0.50 -0.48 -0.02 0.00 -1.23 0.00 0.00 61.79 60.56 1ya8 h SER 380 Cb 0.52 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.21 1ya8 h SER 380 CO -0.28 1.27 0.03 0.25 -0.53 0.00 0.00 176.83 177.57 1ya8 h LEU 381 N 0.68 0.25 -0.51 2.23 6.46 0.63 -2.66 115.31 122.38 1ya8 h LEU 381 Ca 0.03 -0.26 0.08 0.00 -0.12 0.00 0.00 57.88 57.61 1ya8 h LEU 381 Cb 1.09 -0.07 -0.07 0.00 -0.73 0.00 0.00 40.66 40.89 1ya8 h LEU 381 CO 0.11 0.44 0.13 0.25 -0.62 0.00 0.00 178.44 178.75 1ya8 h LEU 382 N 0.04 0.07 -0.90 2.25 5.85 0.19 -0.89 115.31 121.91 1ya8 h LEU 382 Ca 0.05 0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.87 1ya8 h LEU 382 Cb 0.30 0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.38 1ya8 h LEU 382 CO 0.00 0.06 0.60 -0.25 -0.34 0.00 0.00 178.44 178.51 1ya8 h TRP 383 N 0.28 1.13 -0.02 1.25 -0.00 -1.21 -1.94 115.95 115.43 1ya8 h TRP 383 Ca 0.26 0.03 -0.07 0.00 -0.00 0.00 0.00 58.89 59.10 1ya8 h TRP 383 Cb 0.33 -0.38 -0.01 0.00 -0.00 0.00 0.00 29.16 29.10 1ya8 h TRP 383 CO -0.21 0.69 -0.34 0.87 -0.00 0.00 0.00 178.44 179.46 1ya8 h LYS 384 N 1.20 0.04 0.00 2.65 1.57 -0.92 -2.22 116.57 118.89 1ya8 h LYS 384 Ca 0.34 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.11 1ya8 h LYS 384 Cb -0.10 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.21 1ya8 h LYS 384 CO -0.09 0.38 0.00 0.43 -0.57 0.00 0.00 179.45 179.60 1ya8 n SER 385 N -4.13 0.00 -0.30 0.86 7.64 -0.44 -4.31 113.62 112.95 1ya8 n SER 385 Ca -0.02 -1.21 0.07 0.00 1.01 0.00 0.00 58.87 58.72 1ya8 n SER 385 Cb 0.39 0.00 0.16 0.00 -1.01 0.00 0.00 64.21 63.74 1ya8 n SER 385 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ya8 n TYR 386 N -0.85 0.37 -0.33 1.43 9.36 -0.84 -0.20 117.16 126.11 1ya8 n TYR 386 Ca 0.15 1.01 -0.00 0.00 3.32 0.00 0.00 57.90 62.39 1ya8 n TYR 386 Cb 0.07 -1.03 -0.00 0.00 -0.63 0.00 0.00 39.34 37.75 1ya8 n TYR 386 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1ya8 n PRO 387 N -5.31 0.67 0.00 2.98 -0.04 -1.26 -0.55 135.00 131.49 1ya8 n PRO 387 Ca 0.15 -0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 1ya8 n PRO 387 Cb 0.49 -1.17 0.00 0.00 -0.04 0.00 0.00 33.50 32.77 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 1.68 0.00 -0.01 1.53 4.77 0.72 -4.80 117.00 120.89 1ya8 n LEU 388 Ca 0.00 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.99 1ya8 n LEU 388 Cb 0.33 0.12 -0.01 0.00 -2.33 0.00 0.00 43.42 41.54 1ya8 n LEU 388 CO 0.00 -0.25 0.03 1.33 -1.33 0.00 0.00 177.39 177.16 1ya8 n VAL 389 N -2.01 0.00 -3.16 4.08 0.24 -1.17 -4.64 118.33 111.67 1ya8 n VAL 389 Ca 0.00 -0.47 -0.07 0.00 -2.04 0.00 0.00 64.34 61.76 1ya8 n VAL 389 Cb 0.00 1.00 0.01 0.00 -1.47 0.00 0.00 33.84 33.38 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 -1.21 0.85 0.21 0.00 1.01 -1.26 -5.09 121.20 115.69 1ya8 s ILE 391 Ca 0.07 -0.41 -0.32 0.00 0.00 0.00 0.00 60.65 59.99 1ya8 s ILE 391 Cb -0.01 -1.05 -0.15 0.00 0.01 0.00 0.00 42.46 41.26 1ya8 s ILE 391 CO 0.28 0.13 1.16 0.00 0.00 0.00 0.00 174.94 176.51 1ya8 n ALA 392 N 4.97 -0.42 -0.35 9.38 0.00 -1.26 -4.78 120.51 128.05 1ya8 n ALA 392 Ca -0.10 0.44 0.11 0.00 0.00 0.00 0.00 53.44 53.88 1ya8 n ALA 392 Cb 0.48 -2.06 0.29 0.00 0.00 0.00 0.00 19.45 18.16 1ya8 n ALA 392 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1ya8 h LYS 393 N 3.19 0.77 0.00 0.00 3.64 -1.99 0.15 116.57 122.33 1ya8 h LYS 393 Ca -0.43 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1ya8 h LYS 393 Cb 1.33 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 1ya8 h LYS 393 CO 0.69 0.51 0.00 -0.85 -2.27 0.00 0.00 179.45 177.53 1ya8 n GLU 394 N -4.75 0.04 -0.10 1.90 0.00 -1.26 -2.44 120.64 114.03 1ya8 n GLU 394 Ca 0.21 0.31 -0.14 0.00 0.00 0.00 0.00 57.16 57.54 1ya8 n GLU 394 Cb 0.50 -1.50 -0.14 0.00 0.00 0.00 0.00 31.44 30.30 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 -1.41 1.59 -0.15 -1.84 4.77 0.51 -4.68 117.00 115.79 1ya8 n LEU 395 Ca 0.02 -0.01 -0.04 0.00 -0.03 0.00 0.00 56.01 55.95 1ya8 n LEU 395 Cb 0.07 -0.28 -0.04 0.00 -2.33 0.00 0.00 43.42 40.85 1ya8 n LEU 395 CO 0.06 0.71 0.23 -0.38 -1.33 0.00 0.00 177.39 176.68 1ya8 n ILE 396 N -3.06 -0.25 -0.13 -0.08 2.08 -1.02 -1.06 119.36 115.84 1ya8 n ILE 396 Ca -0.37 1.04 -0.06 0.00 0.56 0.00 0.00 62.75 63.91 1ya8 n ILE 396 Cb 1.07 -1.30 -0.00 0.00 -0.75 0.00 0.00 39.64 38.66 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 -0.19 -0.64 0.38 0.11 -1.83 0.49 132.00 130.31 1ya8 h PRO 397 Ca 0.06 0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.21 1ya8 h PRO 397 Cb 0.15 0.04 -0.04 0.00 0.11 0.00 0.00 31.00 31.27 1ya8 h PRO 397 CO -0.35 -0.13 0.40 1.49 -0.21 0.00 0.00 178.00 179.21 1ya8 h GLU 398 N -0.20 0.77 0.10 1.05 4.81 -1.40 0.30 114.58 120.01 1ya8 h GLU 398 Ca 0.19 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.37 1ya8 h GLU 398 Cb 0.51 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.72 1ya8 h GLU 398 CO -0.54 0.51 -0.05 0.00 -0.73 0.00 0.00 179.01 178.20 1ya8 h ALA 399 N 1.27 -0.14 -0.16 2.92 0.00 -0.54 -2.14 119.26 120.47 1ya8 h ALA 399 Ca 0.26 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1ya8 h ALA 399 Cb 0.01 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1ya8 h ALA 399 CO -0.10 -0.50 -0.13 1.15 0.00 0.00 0.00 179.25 179.67 1ya8 h THR 400 N -0.29 1.18 0.00 0.00 2.02 0.19 -1.51 112.91 114.50 1ya8 h THR 400 Ca -0.01 -0.81 -0.00 0.00 0.77 0.00 0.00 66.41 66.35 1ya8 h THR 400 Cb 0.24 1.21 -0.00 0.00 -1.74 0.00 0.00 68.15 67.86 1ya8 h THR 400 CO 0.02 0.25 -0.02 -0.08 0.37 0.00 0.00 175.52 176.07 1ya8 h GLU 401 N 0.24 0.00 0.14 6.66 4.57 -0.20 -1.13 114.58 124.87 1ya8 h GLU 401 Ca 0.05 0.00 -0.22 0.00 -1.18 0.00 0.00 59.36 58.01 1ya8 h GLU 401 Cb 0.39 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 29.00 1ya8 h GLU 401 CO 0.02 0.02 -0.94 -0.22 -1.18 0.00 0.00 179.01 176.71 1ya8 h LYS 402 N 0.00 0.38 0.06 1.92 1.63 -0.60 -2.87 116.57 117.10 1ya8 h LYS 402 Ca -0.00 -0.61 -0.29 0.00 -0.85 0.00 0.00 60.65 58.90 1ya8 h LYS 402 Cb 0.57 0.22 -0.02 0.00 -0.60 0.00 0.00 32.23 32.39 1ya8 h LYS 402 CO 0.00 1.28 -1.59 1.88 -3.45 0.00 0.00 179.45 177.56 1ya8 h TYR 403 N -0.20 0.24 -0.01 1.91 -1.99 -1.53 -3.39 116.97 112.01 1ya8 h TYR 403 Ca -0.16 -0.17 0.00 0.00 2.00 0.00 0.00 58.73 60.40 1ya8 h TYR 403 Cb 1.72 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 40.44 1ya8 h TYR 403 CO 0.17 1.63 -0.16 1.28 -0.00 0.00 0.00 178.16 181.08 1ya8 n LEU 404 N -3.99 0.79 0.00 3.88 4.77 -0.43 -3.81 117.00 118.21 1ya8 n LEU 404 Ca -0.32 -0.15 0.02 0.00 -0.03 0.00 0.00 56.01 55.53 1ya8 n LEU 404 Cb 0.85 -0.14 0.10 0.00 -2.33 0.00 0.00 43.42 41.90 1ya8 n LEU 404 CO 0.31 0.14 0.54 0.61 -1.33 0.00 0.00 177.39 177.66 1ya8 n GLY 405 N 1.29 -0.57 0.00 -0.72 0.00 -1.08 -4.56 105.19 99.56 1ya8 n GLY 405 Ca 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.01 -2.86 3.49 -0.02 0.00 -1.25 -4.93 105.19 98.62 1ya8 n GLY 406 Ca 0.01 -0.60 -0.30 0.00 0.00 0.00 0.00 46.02 45.14 1ya8 n GLY 406 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ya8 s THR 407 N 0.00 1.60 -2.73 2.61 -4.23 -1.26 -4.91 115.64 106.71 1ya8 s THR 407 Ca 0.00 0.00 0.26 0.00 -1.18 0.00 0.00 61.69 60.77 1ya8 s THR 407 Cb 0.00 -2.27 0.38 0.00 1.34 0.00 0.00 72.50 71.95 1ya8 s THR 407 CO 0.00 0.00 1.52 0.47 -0.54 0.00 0.00 174.62 176.07 1ya8 n ASP 408 N -5.02 2.21 -4.61 3.99 8.00 -1.26 -4.86 116.55 115.00 1ya8 n ASP 408 Ca 0.10 -1.74 -0.43 0.00 0.71 0.00 0.00 54.79 53.43 1ya8 n ASP 408 Cb 0.58 -0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.65 1ya8 n ASP 408 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1ya8 s ASP 409 N -2.00 5.56 0.41 -2.24 -1.08 -1.26 -4.82 116.67 111.23 1ya8 s ASP 409 Ca 0.33 1.93 0.29 0.00 -0.52 0.00 0.00 52.55 54.58 1ya8 s ASP 409 Cb 0.21 -2.51 1.34 0.00 -1.46 0.00 0.00 42.92 40.49 1ya8 s ASP 409 CO 0.32 -1.87 1.87 0.71 0.52 0.00 0.00 175.17 176.71 1ya8 h THR 410 N 7.00 0.00 0.18 1.71 1.35 -1.89 -2.28 112.91 118.98 1ya8 h THR 410 Ca -0.41 -0.22 -0.34 0.00 -0.55 0.00 0.00 66.41 64.89 1ya8 h THR 410 Cb 1.24 1.00 0.01 0.00 -1.73 0.00 0.00 68.15 68.67 1ya8 h THR 410 CO 0.96 0.00 -1.65 0.58 -0.25 0.00 0.00 175.52 175.16 1ya8 h VAL 411 N 0.00 1.05 -0.70 6.82 2.07 -1.84 -2.12 116.25 121.52 1ya8 h VAL 411 Ca 0.00 -2.62 -0.03 0.00 0.82 0.00 0.00 66.70 64.87 1ya8 h VAL 411 Cb 0.27 2.81 -0.03 0.00 -1.52 0.00 0.00 31.29 32.81 1ya8 h VAL 411 CO 0.00 0.84 0.33 0.11 0.02 0.00 0.00 177.57 178.87 1ya8 h LYS 412 N 0.10 1.00 -0.50 1.57 1.57 -1.82 -1.77 116.57 116.73 1ya8 h LYS 412 Ca -0.30 -0.14 0.04 0.00 -1.87 0.00 0.00 60.65 58.38 1ya8 h LYS 412 Cb 2.09 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 34.19 1ya8 h LYS 412 CO 0.19 0.78 0.33 0.87 -0.57 0.00 0.00 179.45 181.05 1ya8 h LYS 413 N 1.00 0.51 -0.19 3.15 1.57 -1.50 0.28 116.57 121.38 1ya8 h LYS 413 Ca 0.24 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.95 1ya8 h LYS 413 Cb 0.11 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1ya8 h LYS 413 CO -0.03 0.34 -0.06 -0.22 -0.57 0.00 0.00 179.45 178.91 1ya8 h LYS 414 N 0.53 0.38 -0.13 3.15 3.64 -1.35 -0.05 116.57 122.74 1ya8 h LYS 414 Ca 0.20 -0.15 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 1ya8 h LYS 414 Cb 0.15 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 1ya8 h LYS 414 CO -0.05 0.65 0.06 -0.44 -2.27 0.00 0.00 179.45 177.40 1ya8 h ASP 415 N 0.09 0.18 0.09 4.20 3.32 -1.06 -0.81 116.42 122.43 1ya8 h ASP 415 Ca 0.05 -0.15 -0.02 0.00 0.02 0.00 0.00 57.03 56.94 1ya8 h ASP 415 Cb 0.52 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.02 1ya8 h ASP 415 CO 0.02 0.28 -0.07 -0.07 -1.72 0.00 0.00 179.24 177.68 1ya8 h LEU 416 N 0.07 0.00 -0.40 1.55 3.38 -0.46 -0.27 115.31 119.18 1ya8 h LEU 416 Ca 0.04 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.83 1ya8 h LEU 416 Cb 0.15 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1ya8 h LEU 416 CO -0.00 0.07 -0.73 0.15 0.09 0.00 0.00 178.44 178.02 1ya8 h PHE 417 N 0.00 0.56 0.00 1.13 3.57 -0.52 0.24 116.94 121.92 1ya8 h PHE 417 Ca -0.00 -0.25 0.00 0.00 3.53 0.00 0.00 57.97 61.25 1ya8 h PHE 417 Cb 0.14 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.79 1ya8 h PHE 417 CO 0.00 1.00 0.00 1.28 -2.23 0.00 0.00 178.31 178.36 1ya8 n LEU 418 N -3.84 0.73 -0.04 0.59 4.77 -0.25 -2.14 117.00 116.82 1ya8 n LEU 418 Ca -0.04 0.63 -0.20 0.00 -0.03 0.00 0.00 56.01 56.37 1ya8 n LEU 418 Cb 0.71 -0.46 -0.13 0.00 -2.33 0.00 0.00 43.42 41.20 1ya8 n LEU 418 CO 0.48 -0.39 -0.21 0.44 -1.33 0.00 0.00 177.39 176.38 1ya8 h ASP 419 N 0.00 0.20 -0.65 -1.43 3.32 -0.71 -2.80 116.42 114.34 1ya8 h ASP 419 Ca 0.00 -0.81 0.07 0.00 0.02 0.00 0.00 57.03 56.31 1ya8 h ASP 419 Cb 0.53 -0.06 -0.10 0.00 0.22 0.00 0.00 39.33 39.91 1ya8 h ASP 419 CO 0.00 1.42 -0.56 0.25 -1.72 0.00 0.00 179.24 178.63 1ya8 h LEU 420 N -0.66 -1.96 -0.17 1.55 7.12 -0.65 0.48 115.31 121.03 1ya8 h LEU 420 Ca -0.23 0.28 -0.00 0.00 0.13 0.00 0.00 57.88 58.06 1ya8 h LEU 420 Cb 1.45 0.84 -0.01 0.00 -0.53 0.00 0.00 40.66 42.41 1ya8 h LEU 420 CO -0.02 -0.33 0.09 0.40 -0.13 0.00 0.00 178.44 178.45 1ya8 h ILE 421 N -0.23 1.11 -0.89 4.05 2.04 -1.57 -2.45 117.51 119.56 1ya8 h ILE 421 Ca 0.12 -0.31 0.12 0.00 1.00 0.00 0.00 64.86 65.78 1ya8 h ILE 421 Cb 0.52 1.02 -0.08 0.00 -0.74 0.00 0.00 36.82 37.54 1ya8 h ILE 421 CO -0.74 0.10 0.52 0.00 0.00 0.00 0.00 178.15 178.03 1ya8 h ALA 422 N 0.97 1.33 0.02 1.87 0.00 -1.01 -0.89 119.26 121.54 1ya8 h ALA 422 Ca 0.06 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1ya8 h ALA 422 Cb 0.09 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1ya8 h ALA 422 CO -0.01 0.08 -0.01 -0.44 0.00 0.00 0.00 179.25 178.87 1ya8 h ASP 423 N 0.81 -0.02 0.34 0.00 3.32 0.25 0.53 116.42 121.65 1ya8 h ASP 423 Ca 0.45 -0.08 -0.08 0.00 0.02 0.00 0.00 57.03 57.34 1ya8 h ASP 423 Cb 0.50 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 1ya8 h ASP 423 CO -0.29 0.07 -0.37 0.58 -1.72 0.00 0.00 179.24 177.51 1ya8 h VAL 424 N -0.11 1.28 0.00 -1.35 2.07 -0.97 0.32 116.25 117.49 1ya8 h VAL 424 Ca -0.00 -1.32 -0.17 0.00 0.82 0.00 0.00 66.70 66.04 1ya8 h VAL 424 Cb 0.10 1.67 -0.03 0.00 -1.52 0.00 0.00 31.29 31.52 1ya8 h VAL 424 CO 0.00 0.38 -1.51 0.23 0.02 0.00 0.00 177.57 176.70 1ya8 n MET 425 N -4.09 0.63 0.08 1.57 2.81 -0.39 -4.61 117.12 113.13 1ya8 n MET 425 Ca -0.02 0.18 0.00 0.00 -1.81 0.00 0.00 57.70 56.05 1ya8 n MET 425 Cb 0.42 -1.77 0.00 0.00 -0.71 0.00 0.00 33.22 31.16 1ya8 n MET 425 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 1ya8 n PHE 426 N -2.83 -1.18 -0.05 2.03 3.01 0.15 -4.78 117.46 113.81 1ya8 n PHE 426 Ca -0.11 0.21 -0.05 0.00 1.01 0.00 0.00 57.45 58.52 1ya8 n PHE 426 Cb 0.84 0.34 -0.03 0.00 -0.01 0.00 0.00 39.48 40.61 1ya8 n PHE 426 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1ya8 h GLY 427 N 0.00 -1.66 0.84 1.37 0.00 -1.25 -0.92 103.07 101.44 1ya8 h GLY 427 Ca 0.00 0.81 -0.04 0.00 0.00 0.00 0.00 47.33 48.11 1ya8 h GLY 427 CO 0.00 -0.54 -0.49 -2.08 0.00 0.00 0.00 176.54 173.42 1ya8 h VAL 428 N -0.13 0.00 -0.76 4.60 2.07 -1.22 -2.27 116.25 118.54 1ya8 h VAL 428 Ca 0.03 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.72 1ya8 h VAL 428 Cb 0.20 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 29.84 1ya8 h VAL 428 CO -0.21 0.00 0.01 -0.65 0.02 0.00 0.00 177.57 176.75 1ya8 h PRO 429 N -1.24 0.11 -0.27 1.57 0.11 -1.75 -1.53 132.00 129.00 1ya8 h PRO 429 Ca -0.11 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 66.03 1ya8 h PRO 429 Cb 0.99 -0.02 -0.04 0.00 0.11 0.00 0.00 31.00 32.04 1ya8 h PRO 429 CO 0.13 0.07 0.05 0.77 -0.21 0.00 0.00 178.00 178.80 1ya8 h SER 430 N 0.11 -0.00 -0.33 -2.05 0.02 -1.01 -1.85 113.55 108.43 1ya8 h SER 430 Ca 0.42 0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 61.38 1ya8 h SER 430 Cb 0.73 0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.32 1ya8 h SER 430 CO -0.66 0.03 0.10 0.58 -1.14 0.00 0.00 176.83 175.75 1ya8 h VAL 431 N 0.15 1.21 -0.81 2.27 2.07 -0.71 -2.50 116.25 117.93 1ya8 h VAL 431 Ca 0.13 -0.67 0.11 0.00 0.82 0.00 0.00 66.70 67.09 1ya8 h VAL 431 Cb 0.14 1.02 -0.08 0.00 -1.52 0.00 0.00 31.29 30.85 1ya8 h VAL 431 CO -0.17 0.23 0.43 0.40 0.02 0.00 0.00 177.57 178.48 1ya8 h ILE 432 N 0.38 0.83 0.66 4.57 2.04 -1.15 -0.57 117.51 124.28 1ya8 h ILE 432 Ca 0.11 -0.24 -0.03 0.00 1.00 0.00 0.00 64.86 65.70 1ya8 h ILE 432 Cb 0.25 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.41 1ya8 h ILE 432 CO -0.00 0.13 -0.36 0.58 0.00 0.00 0.00 178.15 178.49 1ya8 h VAL 433 N 0.69 0.27 -0.79 1.67 2.07 -1.09 -0.18 116.25 118.89 1ya8 h VAL 433 Ca 0.41 0.00 0.16 0.00 0.82 0.00 0.00 66.70 68.09 1ya8 h VAL 433 Cb 0.46 0.27 -0.10 0.00 -1.52 0.00 0.00 31.29 30.40 1ya8 h VAL 433 CO -0.29 0.00 0.31 0.00 0.02 0.00 0.00 177.57 177.61 1ya8 h ALA 434 N -0.64 1.15 0.66 1.67 0.00 -0.96 0.21 119.26 121.35 1ya8 h ALA 434 Ca -0.09 0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1ya8 h ALA 434 Cb 0.75 0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.66 1ya8 h ALA 434 CO 0.12 -0.25 -0.32 0.00 0.00 0.00 0.00 179.25 178.80 1ya8 h ARG 435 N 0.42 -0.86 -0.95 0.00 3.08 -0.90 0.61 114.38 115.78 1ya8 h ARG 435 Ca 0.45 0.06 0.15 0.00 0.07 0.00 0.00 59.98 60.71 1ya8 h ARG 435 Cb 0.74 0.19 -0.09 0.00 0.08 0.00 0.00 29.97 30.89 1ya8 h ARG 435 CO -0.45 -0.55 0.57 -0.91 -1.07 0.00 0.00 179.97 177.56 1ya8 h ASN 436 N -0.95 0.77 -0.23 7.04 4.21 -0.24 0.35 115.58 126.53 1ya8 h ASN 436 Ca -0.09 0.08 -0.03 0.00 1.21 0.00 0.00 56.30 57.47 1ya8 h ASN 436 Cb 0.70 -0.07 -0.01 0.00 -1.12 0.00 0.00 38.32 37.82 1ya8 h ASN 436 CO 0.15 0.35 0.03 -0.74 -1.29 0.00 0.00 177.43 175.93 1ya8 h HIS 437 N 0.81 0.41 -0.16 1.19 2.76 -0.27 -1.92 115.15 117.97 1ya8 h HIS 437 Ca 0.51 -0.06 0.03 0.00 -2.20 0.00 0.00 60.37 58.65 1ya8 h HIS 437 Cb 0.66 -0.11 -0.03 0.00 1.55 0.00 0.00 27.41 29.48 1ya8 h HIS 437 CO -0.03 0.52 -0.02 -0.09 -1.30 0.00 0.00 177.93 177.01 1ya8 h ARG 438 N 0.18 0.03 0.00 5.26 2.43 0.19 -2.10 114.38 120.37 1ya8 h ARG 438 Ca 0.07 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 1ya8 h ARG 438 Cb 0.33 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.88 1ya8 h ARG 438 CO 0.01 0.02 -0.05 -0.44 -1.51 0.00 0.00 179.97 178.00 1ya8 h ASP 439 N 0.03 0.00 0.31 -3.80 3.32 -0.27 -0.14 116.42 115.88 1ya8 h ASP 439 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1ya8 h ASP 439 Cb 0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.66 1ya8 h ASP 439 CO -0.15 0.05 0.00 0.00 -1.72 0.00 0.00 179.24 177.42 1ya8 n ALA 440 N -2.34 2.13 -0.44 3.45 0.00 -0.73 -4.87 120.51 117.71 1ya8 n ALA 440 Ca -0.03 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1ya8 n ALA 440 Cb 0.14 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.25 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 0.44 0.85 3.35 0.00 0.00 -0.06 -4.99 105.19 104.78 1ya8 n GLY 441 Ca 0.11 -0.41 -0.30 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.00 2.28 -0.26 4.61 0.00 -1.19 -5.07 121.76 120.13 1ya8 s ALA 442 Ca 0.00 -1.30 -0.40 0.00 0.00 0.00 0.00 51.96 50.26 1ya8 s ALA 442 Cb 0.00 -0.47 -0.16 0.00 0.00 0.00 0.00 23.12 22.50 1ya8 s ALA 442 CO 0.00 0.54 1.74 -2.30 0.00 0.00 0.00 175.76 175.73 1ya8 n PRO 443 N 1.64 1.18 -4.56 0.00 -0.02 -1.26 -4.24 135.00 127.75 1ya8 n PRO 443 Ca -0.17 0.43 -0.25 0.00 -2.02 0.00 0.00 63.50 61.49 1ya8 n PRO 443 Cb 0.52 -2.12 -0.14 0.00 -0.02 0.00 0.00 33.50 31.74 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 3.46 1.69 -0.05 3.45 2.01 -1.26 -1.09 115.64 123.85 1ya8 s THR 444 Ca 0.98 -1.29 -0.05 0.00 0.31 0.00 0.00 61.69 61.65 1ya8 s THR 444 Cb -1.06 -1.49 0.02 0.00 0.01 0.00 0.00 72.50 69.98 1ya8 s THR 444 CO 0.65 0.15 0.14 -0.31 -0.69 0.00 0.00 174.62 174.55 1ya8 s TYR 445 N -0.88 -0.15 0.32 4.92 2.02 -0.75 -0.46 117.35 122.36 1ya8 s TYR 445 Ca 0.07 0.38 0.04 0.00 -0.37 0.00 0.00 57.07 57.19 1ya8 s TYR 445 Cb -0.09 0.04 -0.06 0.00 -0.40 0.00 0.00 41.96 41.44 1ya8 s TYR 445 CO 0.02 -0.08 0.05 -1.64 -1.57 0.00 0.00 175.55 172.33 1ya8 s MET 446 N 0.17 1.65 0.08 -0.62 -1.94 -1.25 0.09 119.30 117.48 1ya8 s MET 446 Ca -0.01 -1.91 -0.26 0.00 -1.71 0.00 0.00 55.69 51.80 1ya8 s MET 446 Cb -0.02 -0.92 0.08 0.00 2.01 0.00 0.00 34.83 35.98 1ya8 s MET 446 CO -0.00 -0.16 0.87 1.52 -0.01 0.00 0.00 175.02 177.24 1ya8 s TYR 447 N -3.25 -0.29 -0.13 -0.03 1.13 -1.03 -2.45 117.35 111.30 1ya8 s TYR 447 Ca 0.36 0.07 -0.03 0.00 -1.41 0.00 0.00 57.07 56.06 1ya8 s TYR 447 Cb 0.08 0.58 0.05 0.00 -1.10 0.00 0.00 41.96 41.57 1ya8 s TYR 447 CO 0.15 -0.71 0.04 -2.00 -2.51 0.00 0.00 175.55 170.52 1ya8 s GLU 448 N -3.29 0.47 -0.29 -3.49 2.12 -0.58 -1.65 118.70 111.99 1ya8 s GLU 448 Ca 0.07 -0.11 -0.24 0.00 0.36 0.00 0.00 54.97 55.06 1ya8 s GLU 448 Cb -0.01 -1.53 -0.00 0.00 0.26 0.00 0.00 34.13 32.85 1ya8 s GLU 448 CO -0.05 -0.50 0.81 0.12 -0.54 0.00 0.00 175.26 175.10 1ya8 s PHE 449 N 1.98 3.22 -0.55 5.30 5.36 0.03 -1.73 117.98 131.59 1ya8 s PHE 449 Ca 0.02 0.91 0.04 0.00 -0.96 0.00 0.00 56.93 56.94 1ya8 s PHE 449 Cb -0.15 -3.20 0.15 0.00 -0.34 0.00 0.00 43.02 39.48 1ya8 s PHE 449 CO -0.07 -0.54 0.36 -0.65 -1.46 0.00 0.00 175.22 172.87 1ya8 s GLN 450 N 2.97 1.78 0.01 10.12 -0.21 0.32 -1.36 119.66 133.29 1ya8 s GLN 450 Ca 0.34 -2.65 -0.28 0.00 0.02 0.00 0.00 55.36 52.79 1ya8 s GLN 450 Cb -0.14 -2.73 0.07 0.00 1.00 0.00 0.00 33.01 31.20 1ya8 s GLN 450 CO 0.11 -1.25 0.64 -0.47 -2.12 0.00 0.00 175.29 172.21 1ya8 s TYR 451 N -0.52 -0.60 -0.53 0.91 5.04 -1.26 -4.30 117.35 116.08 1ya8 s TYR 451 Ca 0.23 0.85 -0.01 0.00 -2.44 0.00 0.00 57.07 55.71 1ya8 s TYR 451 Cb -0.11 0.44 0.14 0.00 0.35 0.00 0.00 41.96 42.78 1ya8 s TYR 451 CO -0.10 -0.67 0.32 0.50 -1.34 0.00 0.00 175.55 174.26 1ya8 s ARG 452 N -1.98 2.25 0.59 4.97 3.52 -1.26 -1.03 118.95 126.01 1ya8 s ARG 452 Ca -0.07 -2.34 -0.18 0.00 -0.13 0.00 0.00 55.73 53.01 1ya8 s ARG 452 Cb -0.00 -3.58 -0.07 0.00 -1.56 0.00 0.00 34.95 29.74 1ya8 s ARG 452 CO 0.03 -1.12 0.69 -0.35 -0.81 0.00 0.00 175.30 173.74 1ya8 n PRO 453 N 3.72 0.63 0.18 5.12 -0.04 -1.26 -4.87 135.00 138.49 1ya8 n PRO 453 Ca 0.05 0.25 0.13 0.00 -0.04 0.00 0.00 63.50 63.89 1ya8 n PRO 453 Cb 0.38 -1.88 0.36 0.00 -0.04 0.00 0.00 33.50 32.32 1ya8 n PRO 453 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1ya8 h SER 454 N 0.28 0.00 -0.08 3.54 4.64 -1.98 -3.14 113.55 116.80 1ya8 h SER 454 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1ya8 h SER 454 Cb 1.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.48 1ya8 h SER 454 CO 0.48 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.93 1ya8 n PHE 455 N -2.73 0.16 -1.77 4.77 3.01 -1.26 -4.90 117.46 114.74 1ya8 n PHE 455 Ca 0.04 -0.07 -0.34 0.00 1.01 0.00 0.00 57.45 58.09 1ya8 n PHE 455 Cb 0.43 -0.06 0.05 0.00 -0.01 0.00 0.00 39.48 39.89 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 -0.64 4.96 0.71 4.37 0.01 -1.19 -4.98 113.70 116.93 1ya8 s SER 456 Ca 0.06 2.16 -0.16 0.00 1.31 0.00 0.00 55.95 59.33 1ya8 s SER 456 Cb 0.04 -2.57 0.03 0.00 0.21 0.00 0.00 66.02 63.72 1ya8 s SER 456 CO 0.03 -1.74 1.20 -0.55 0.41 0.00 0.00 173.24 172.60 1ya8 s SER 457 N -2.21 4.40 0.20 2.44 0.15 -1.26 -4.92 113.70 112.50 1ya8 s SER 457 Ca 0.71 2.35 -0.08 0.00 0.70 0.00 0.00 55.95 59.63 1ya8 s SER 457 Cb -0.24 -2.59 0.12 0.00 -1.71 0.00 0.00 66.02 61.60 1ya8 s SER 457 CO 0.39 -2.13 1.68 0.44 1.20 0.00 0.00 173.24 174.83 1ya8 h ASP 458 N -0.10 1.03 0.00 5.45 3.32 -1.98 -2.70 116.42 121.45 1ya8 h ASP 458 Ca -0.48 -0.26 0.00 0.00 0.02 0.00 0.00 57.03 56.31 1ya8 h ASP 458 Cb 1.29 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.57 1ya8 h ASP 458 CO 0.51 1.05 0.00 0.23 -1.72 0.00 0.00 179.24 179.31 1ya8 n MET 459 N -4.20 0.41 -3.78 3.56 2.81 -1.26 -4.64 117.12 110.03 1ya8 n MET 459 Ca 0.04 0.00 -0.37 0.00 -1.81 0.00 0.00 57.70 55.56 1ya8 n MET 459 Cb 0.31 -1.09 -0.13 0.00 -0.71 0.00 0.00 33.22 31.61 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 -1.58 3.40 0.12 0.03 2.20 -1.02 -5.06 119.74 117.83 1ya8 s LYS 460 Ca 0.00 -0.64 -0.35 0.00 -0.36 0.00 0.00 55.97 54.62 1ya8 s LYS 460 Cb 0.00 -3.30 -0.15 0.00 -1.51 0.00 0.00 37.83 32.88 1ya8 s LYS 460 CO 0.00 -0.29 1.51 -0.35 -0.36 0.00 0.00 175.35 175.87 1ya8 n PRO 461 N 4.89 1.80 0.12 4.03 -0.04 -1.26 -4.83 135.00 139.70 1ya8 n PRO 461 Ca -0.16 0.65 0.08 0.00 -0.04 0.00 0.00 63.50 64.03 1ya8 n PRO 461 Cb 0.50 -2.38 0.44 0.00 -0.04 0.00 0.00 33.50 32.02 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 3.29 0.11 0.06 0.54 5.02 -1.26 -1.21 118.16 124.70 1ya8 n LYS 462 Ca 0.18 0.59 0.13 0.00 -2.02 0.00 0.00 58.31 57.19 1ya8 n LYS 462 Cb 0.25 -1.84 0.42 0.00 -0.02 0.00 0.00 35.03 33.84 1ya8 n LYS 462 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1ya8 n THR 463 N -2.07 0.34 -2.80 -0.18 -2.24 -1.26 -4.70 114.28 101.36 1ya8 n THR 463 Ca -0.01 -0.18 -0.43 0.00 -2.27 0.00 0.00 64.05 61.17 1ya8 n THR 463 Cb 0.03 -0.42 -0.04 0.00 -2.10 0.00 0.00 70.33 67.80 1ya8 n THR 463 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1ya8 s VAL 464 N -3.07 4.57 -0.12 2.28 1.01 -0.35 -5.02 120.40 119.70 1ya8 s VAL 464 Ca 0.11 1.16 0.02 0.00 0.00 0.00 0.00 61.98 63.27 1ya8 s VAL 464 Cb 0.15 -4.34 0.01 0.00 0.00 0.00 0.00 36.38 32.19 1ya8 s VAL 464 CO 0.61 -0.56 -0.19 -0.63 0.00 0.00 0.00 175.10 174.32 1ya8 s ILE 465 N 3.51 1.78 -0.17 2.22 1.01 -1.26 -4.69 121.20 123.59 1ya8 s ILE 465 Ca 0.38 -0.82 -0.01 0.00 0.00 0.00 0.00 60.65 60.20 1ya8 s ILE 465 Cb -0.12 -1.59 0.00 0.00 0.01 0.00 0.00 42.46 40.76 1ya8 s ILE 465 CO 0.19 0.50 0.15 0.61 0.00 0.00 0.00 174.94 176.39 1ya8 n GLY 466 N 4.05 0.66 3.78 6.18 0.00 -0.19 -3.52 105.19 116.15 1ya8 n GLY 466 Ca -0.20 -0.52 -0.30 0.00 0.00 0.00 0.00 46.02 45.00 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 -3.07 4.44 0.10 1.61 2.15 -1.25 -0.68 116.67 119.97 1ya8 s ASP 467 Ca 0.06 1.54 -0.36 0.00 0.43 0.00 0.00 52.55 54.22 1ya8 s ASP 467 Cb -0.03 -2.29 -0.16 0.00 -0.30 0.00 0.00 42.92 40.15 1ya8 s ASP 467 CO 0.10 -2.03 1.43 1.57 -0.17 0.00 0.00 175.17 176.06 1ya8 n HIS 468 N -3.50 1.77 -0.73 -5.34 -0.00 -1.20 -0.82 115.22 105.40 1ya8 n HIS 468 Ca 0.08 0.51 0.00 0.00 -0.00 0.00 0.00 57.72 58.31 1ya8 n HIS 468 Cb 0.55 -2.40 0.00 0.00 -0.00 0.00 0.00 29.99 28.13 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 2.84 1.41 0.29 1.57 0.00 -1.26 -4.87 105.19 105.17 1ya8 n GLY 469 Ca 0.18 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.28 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 0.12 1.02 1.61 3.32 -1.32 -2.14 116.42 119.03 1ya8 h ASP 470 Ca 0.00 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1ya8 h ASP 470 Cb 0.00 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.52 1ya8 h ASP 470 CO 0.00 0.09 -0.07 1.05 -1.72 0.00 0.00 179.24 178.58 1ya8 h GLU 471 N 0.15 0.00 -0.95 3.56 9.09 -1.91 -3.15 114.58 121.36 1ya8 h GLU 471 Ca 0.07 0.00 0.21 0.00 0.05 0.00 0.00 59.36 59.68 1ya8 h GLU 471 Cb 0.09 0.00 -0.08 0.00 -1.65 0.00 0.00 28.75 27.11 1ya8 h GLU 471 CO -0.01 0.07 0.61 -0.07 0.05 0.00 0.00 179.01 179.67 1ya8 h LEU 472 N 0.00 0.52 -1.09 3.06 3.38 -1.79 -0.32 115.31 119.07 1ya8 h LEU 472 Ca -0.00 0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 1ya8 h LEU 472 Cb 0.60 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 1ya8 h LEU 472 CO 0.01 0.19 -0.10 -0.26 0.09 0.00 0.00 178.44 178.38 1ya8 h PHE 473 N 0.51 0.57 0.04 1.13 -1.00 -1.74 -1.24 116.94 115.20 1ya8 h PHE 473 Ca 0.52 -0.08 -0.00 0.00 2.81 0.00 0.00 57.97 61.21 1ya8 h PHE 473 Cb 1.13 -0.15 0.00 0.00 3.61 0.00 0.00 35.95 40.54 1ya8 h PHE 473 CO -0.00 0.62 -0.02 0.77 -1.61 0.00 0.00 178.31 178.07 1ya8 h SER 474 N 0.49 -0.04 -0.72 2.17 0.02 -1.31 0.14 113.55 114.29 1ya8 h SER 474 Ca 0.09 -0.63 0.16 0.00 -0.84 0.00 0.00 61.79 60.57 1ya8 h SER 474 Cb 0.47 0.01 -0.12 0.00 0.14 0.00 0.00 62.40 62.90 1ya8 h SER 474 CO 0.03 0.71 0.07 0.58 -1.14 0.00 0.00 176.83 177.07 1ya8 h VAL 475 N -0.90 0.42 -0.57 2.27 2.07 -1.21 -0.65 116.25 117.68 1ya8 h VAL 475 Ca -0.01 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.46 1ya8 h VAL 475 Cb 0.67 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1ya8 h VAL 475 CO 0.01 0.03 0.00 0.49 0.02 0.00 0.00 177.57 178.12 1ya8 n PHE 476 N -5.27 1.12 -3.53 1.57 3.01 -0.48 -4.73 117.46 109.16 1ya8 n PHE 476 Ca 0.13 -0.47 -0.19 0.00 1.01 0.00 0.00 57.45 57.92 1ya8 n PHE 476 Cb 0.45 -0.15 0.06 0.00 -0.01 0.00 0.00 39.48 39.84 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 -0.45 0.36 1.37 0.00 -0.25 -4.46 105.19 102.92 1ya8 n GLY 477 Ca 0.21 0.18 0.05 0.00 0.00 0.00 0.00 46.02 46.46 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 0.78 1.55 -0.17 4.61 0.00 -0.99 -1.97 119.26 123.06 1ya8 h ALA 478 Ca -0.60 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.33 1ya8 h ALA 478 Cb 1.35 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1ya8 h ALA 478 CO 0.52 0.31 0.40 -1.35 0.00 0.00 0.00 179.25 179.13 1ya8 h PRO 479 N 0.98 0.00 -0.55 0.00 0.11 -1.84 0.23 132.00 130.93 1ya8 h PRO 479 Ca 0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.50 1ya8 h PRO 479 Cb 0.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.35 1ya8 h PRO 479 CO -0.15 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.83 1ya8 n PHE 480 N -3.19 0.72 0.00 0.65 3.01 -0.74 -4.45 117.46 113.45 1ya8 n PHE 480 Ca 0.02 -0.40 0.00 0.00 1.01 0.00 0.00 57.45 58.08 1ya8 n PHE 480 Cb 0.50 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.97 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 1.42 0.12 -4.89 4.37 4.77 -0.19 -4.93 117.00 117.67 1ya8 n LEU 481 Ca 0.21 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.98 1ya8 n LEU 481 Cb 0.58 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.65 1ya8 n LEU 481 CO 0.15 0.02 -0.05 -0.54 -1.33 0.00 0.00 177.39 175.64 1ya8 s LYS 482 N -1.42 2.87 0.45 3.23 1.02 0.62 -3.91 119.74 122.61 1ya8 s LYS 482 Ca 0.00 -1.18 0.07 0.00 0.02 0.00 0.00 55.97 54.88 1ya8 s LYS 482 Cb 0.00 -2.59 0.02 0.00 -0.52 0.00 0.00 37.83 34.74 1ya8 s LYS 482 CO 0.00 0.12 0.62 -1.21 -0.92 0.00 0.00 175.35 173.96 1ya8 s GLU 483 N -4.03 2.75 0.00 1.68 2.02 -1.26 -4.61 118.70 115.24 1ya8 s GLU 483 Ca 0.41 -1.18 0.00 0.00 0.02 0.00 0.00 54.97 54.22 1ya8 s GLU 483 Cb -0.07 -2.70 0.00 0.00 0.10 0.00 0.00 34.13 31.46 1ya8 s GLU 483 CO 0.28 -0.38 0.00 0.41 0.02 0.00 0.00 175.26 175.58 1ya8 n GLY 484 N -1.96 3.15 3.73 -1.39 0.00 -1.26 -4.98 105.19 102.48 1ya8 n GLY 484 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 1ya8 n GLY 484 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ya8 n ALA 485 N -0.84 1.66 -1.99 4.61 0.00 -1.26 -5.00 120.51 117.68 1ya8 n ALA 485 Ca 0.00 0.26 -0.20 0.00 0.00 0.00 0.00 53.44 53.51 1ya8 n ALA 485 Cb 0.00 -2.33 0.04 0.00 0.00 0.00 0.00 19.45 17.16 1ya8 n ALA 485 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1ya8 s SER 486 N -0.48 5.32 0.45 0.00 1.04 -1.26 -4.90 113.70 113.87 1ya8 s SER 486 Ca 0.61 -0.26 0.14 0.00 0.48 0.00 0.00 55.95 56.91 1ya8 s SER 486 Cb -0.48 -0.62 1.08 0.00 0.10 0.00 0.00 66.02 66.10 1ya8 s SER 486 CO 0.58 -1.09 2.02 1.05 0.98 0.00 0.00 173.24 176.79 1ya8 h GLU 487 N 0.23 0.32 -0.19 4.02 4.11 -1.99 -0.52 114.58 120.56 1ya8 h GLU 487 Ca -0.40 -0.02 -0.15 0.00 0.07 0.00 0.00 59.36 58.86 1ya8 h GLU 487 Cb 1.29 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1ya8 h GLU 487 CO 0.47 0.21 -0.48 1.49 0.07 0.00 0.00 179.01 180.77 1ya8 h GLU 488 N 0.33 0.67 -0.30 1.06 4.81 -1.98 -1.28 114.58 117.87 1ya8 h GLU 488 Ca 0.21 -0.46 -0.15 0.00 -0.13 0.00 0.00 59.36 58.83 1ya8 h GLU 488 Cb 0.41 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 1ya8 h GLU 488 CO -0.05 1.08 -0.40 1.49 -0.73 0.00 0.00 179.01 180.40 1ya8 h GLU 489 N 0.36 0.73 -0.30 1.92 4.81 -1.81 -0.24 114.58 120.05 1ya8 h GLU 489 Ca -0.00 -0.38 -0.01 0.00 -0.13 0.00 0.00 59.36 58.83 1ya8 h GLU 489 Cb 1.09 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.47 1ya8 h GLU 489 CO 0.10 1.00 0.13 0.82 -0.73 0.00 0.00 179.01 180.33 1ya8 h ILE 490 N 0.60 1.17 -0.90 2.32 2.04 -1.11 -0.77 117.51 120.86 1ya8 h ILE 490 Ca 0.05 -0.51 -0.01 0.00 1.00 0.00 0.00 64.86 65.39 1ya8 h ILE 490 Cb 0.95 0.95 -0.04 0.00 -0.74 0.00 0.00 36.82 37.94 1ya8 h ILE 490 CO 0.09 0.18 0.53 -0.09 0.00 0.00 0.00 178.15 178.85 1ya8 h ARG 491 N 0.34 1.23 0.19 2.37 2.43 -0.94 -2.25 114.38 117.74 1ya8 h ARG 491 Ca 0.10 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 1ya8 h ARG 491 Cb 0.16 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 29.46 1ya8 h ARG 491 CO -0.01 0.87 -0.09 1.25 -1.51 0.00 0.00 179.97 180.48 1ya8 h LEU 492 N 1.24 -0.21 -0.41 3.80 5.85 -0.59 -2.17 115.31 122.82 1ya8 h LEU 492 Ca 0.32 -0.07 0.08 0.00 0.84 0.00 0.00 57.88 59.05 1ya8 h LEU 492 Cb -0.03 0.05 -0.07 0.00 0.37 0.00 0.00 40.66 40.98 1ya8 h LEU 492 CO -0.06 -0.06 0.01 -1.28 -0.34 0.00 0.00 178.44 176.71 1ya8 h SER 493 N -0.35 -0.15 -0.69 1.25 0.87 -0.91 -0.88 113.55 112.69 1ya8 h SER 493 Ca -0.03 0.09 0.05 0.00 -1.23 0.00 0.00 61.79 60.67 1ya8 h SER 493 Cb 0.27 0.16 -0.05 0.00 -0.44 0.00 0.00 62.40 62.34 1ya8 h SER 493 CO 0.04 -0.04 0.41 0.11 -0.53 0.00 0.00 176.83 176.82 1ya8 h LYS 494 N 0.12 0.76 0.66 2.24 1.57 -1.32 -0.49 116.57 120.10 1ya8 h LYS 494 Ca 0.20 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.91 1ya8 h LYS 494 Cb 0.29 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 1ya8 h LYS 494 CO -0.33 0.50 -0.43 1.98 -0.57 0.00 0.00 179.45 180.60 1ya8 h MET 495 N 0.78 -0.99 -0.53 3.15 4.05 -0.66 -1.82 114.93 118.91 1ya8 h MET 495 Ca 0.29 0.07 0.09 0.00 -0.28 0.00 0.00 59.70 59.87 1ya8 h MET 495 Cb 0.11 0.23 -0.07 0.00 -0.80 0.00 0.00 31.60 31.06 1ya8 h MET 495 CO -0.15 -0.66 0.13 0.28 0.23 0.00 0.00 176.91 176.74 1ya8 h VAL 496 N -1.03 0.72 -0.60 -5.77 2.07 -0.91 -1.05 116.25 109.69 1ya8 h VAL 496 Ca -0.08 -0.09 0.04 0.00 0.82 0.00 0.00 66.70 67.39 1ya8 h VAL 496 Cb 0.84 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 1ya8 h VAL 496 CO 0.07 0.05 0.40 0.24 0.02 0.00 0.00 177.57 178.34 1ya8 h MET 497 N 0.27 0.64 0.02 1.57 2.07 -0.93 -0.26 114.93 118.30 1ya8 h MET 497 Ca 0.27 -0.04 -0.00 0.00 -2.07 0.00 0.00 59.70 57.86 1ya8 h MET 497 Cb 0.35 -0.14 0.00 0.00 -1.87 0.00 0.00 31.60 29.94 1ya8 h MET 497 CO -0.33 0.42 -0.01 0.87 1.07 0.00 0.00 176.91 178.93 1ya8 h LYS 498 N 0.65 -0.03 -0.14 1.72 1.79 -0.34 -1.26 116.57 118.96 1ya8 h LYS 498 Ca 0.25 0.00 0.04 0.00 -2.18 0.00 0.00 60.65 58.76 1ya8 h LYS 498 Cb 0.16 0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 30.78 1ya8 h LYS 498 CO -0.07 0.24 -0.10 0.74 -1.08 0.00 0.00 179.45 179.18 1ya8 h PHE 499 N -0.29 -0.24 -0.85 -1.35 0.05 -0.63 0.42 116.94 114.05 1ya8 h PHE 499 Ca -0.00 0.02 0.00 0.00 3.82 0.00 0.00 57.97 61.81 1ya8 h PHE 499 Cb 0.28 0.13 -0.04 0.00 2.00 0.00 0.00 35.95 38.31 1ya8 h PHE 499 CO 0.01 -0.15 0.54 -1.49 -0.18 0.00 0.00 178.31 177.04 1ya8 h TRP 500 N -0.10 1.09 -0.03 -0.55 -0.00 -1.06 -1.44 115.95 113.85 1ya8 h TRP 500 Ca 0.09 0.01 -0.16 0.00 -0.00 0.00 0.00 58.89 58.83 1ya8 h TRP 500 Cb 0.23 -0.36 -0.01 0.00 -0.00 0.00 0.00 29.16 29.01 1ya8 h TRP 500 CO -0.23 0.71 -0.72 0.00 -0.00 0.00 0.00 178.44 178.20 1ya8 h ALA 501 N 1.29 0.74 -0.30 1.49 0.00 -0.80 -1.72 119.26 119.97 1ya8 h ALA 501 Ca 0.31 -0.62 -0.09 0.00 0.00 0.00 0.00 54.91 54.50 1ya8 h ALA 501 Cb -0.09 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1ya8 h ALA 501 CO -0.06 0.82 -0.21 -0.91 0.00 0.00 0.00 179.25 178.90 1ya8 h ASN 502 N 0.11 0.55 0.04 0.00 2.35 0.21 -0.62 115.58 118.21 1ya8 h ASN 502 Ca -0.02 -0.17 -0.00 0.00 -0.55 0.00 0.00 56.30 55.55 1ya8 h ASN 502 Cb 1.27 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 39.49 1ya8 h ASN 502 CO 0.11 0.76 -0.02 0.15 -1.65 0.00 0.00 177.43 176.78 1ya8 h PHE 503 N 0.49 -0.04 -0.78 1.19 3.57 -1.13 0.17 116.94 120.39 1ya8 h PHE 503 Ca 0.08 -0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.74 1ya8 h PHE 503 Cb 0.63 0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.33 1ya8 h PHE 503 CO 0.02 0.32 0.52 0.00 -2.23 0.00 0.00 178.31 176.94 1ya8 h ALA 504 N 0.53 2.15 0.01 2.41 0.00 -0.99 0.83 119.26 124.19 1ya8 h ALA 504 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ya8 h ALA 504 Cb 0.38 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1ya8 h ALA 504 CO 0.01 -0.37 -0.00 0.00 0.00 0.00 0.00 179.25 178.89 1ya8 h ARG 505 N 0.40 -0.01 0.00 0.00 3.08 -0.83 -3.42 114.38 113.61 1ya8 h ARG 505 Ca 0.39 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.44 1ya8 h ARG 505 Cb 0.93 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.98 1ya8 h ARG 505 CO -0.13 0.84 0.00 0.09 -1.07 0.00 0.00 179.97 179.70 1ya8 n ASN 506 N -4.68 1.34 -2.15 7.04 3.02 0.02 -4.99 115.26 114.87 1ya8 n ASN 506 Ca -0.09 -1.60 -0.17 0.00 -0.03 0.00 0.00 54.58 52.69 1ya8 n ASN 506 Cb 0.41 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.59 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 -0.30 -0.28 3.25 7.41 0.00 0.28 -4.96 105.19 110.60 1ya8 n GLY 507 Ca 0.00 -0.13 0.02 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.24 0.62 1.61 3.84 -1.26 -4.91 114.94 111.06 1ya8 s ASN 508 Ca 0.13 1.01 0.39 0.00 0.21 0.00 0.00 52.86 54.59 1ya8 s ASN 508 Cb -0.06 2.14 2.04 0.00 -0.55 0.00 0.00 41.25 44.83 1ya8 s ASN 508 CO 0.16 -0.25 2.25 1.55 -2.79 0.00 0.00 177.10 178.02 1ya8 h PRO 509 N 8.01 0.00 -7.16 0.43 0.13 -1.79 -3.25 132.00 128.37 1ya8 h PRO 509 Ca -0.22 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.37 1ya8 h PRO 509 Cb 1.15 0.00 0.17 0.00 0.13 0.00 0.00 31.00 32.45 1ya8 h PRO 509 CO 0.22 0.02 0.43 -0.80 -0.23 0.00 0.00 178.00 177.64 1ya8 s ASN 510 N -5.52 4.06 -0.17 1.44 0.01 -1.26 -4.41 114.94 109.09 1ya8 s ASN 510 Ca -0.04 2.51 -0.33 0.00 -0.71 0.00 0.00 52.86 54.29 1ya8 s ASN 510 Cb 0.13 -2.61 0.14 0.00 0.41 0.00 0.00 41.25 39.32 1ya8 s ASN 510 CO 0.48 -2.36 1.16 -0.83 -1.51 0.00 0.00 177.10 174.03 1ya8 s GLY 511 N -1.75 -0.27 0.19 0.66 0.00 -1.26 -4.92 107.32 99.96 1ya8 s GLY 511 Ca 0.78 1.71 -0.32 0.00 0.00 0.00 0.00 44.72 46.89 1ya8 s GLY 511 CO 0.45 0.62 1.74 -1.84 0.00 0.00 0.00 173.10 174.08 1ya8 n GLU 512 N 0.04 2.74 -0.69 2.90 0.28 -1.26 -2.02 120.64 122.63 1ya8 n GLU 512 Ca -0.02 0.99 0.00 0.00 -0.16 0.00 0.00 57.16 57.97 1ya8 n GLU 512 Cb 0.59 -2.84 0.00 0.00 1.43 0.00 0.00 31.44 30.61 1ya8 n GLU 512 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1ya8 n GLY 513 N 3.99 0.66 3.02 -1.84 0.00 -1.26 -5.07 105.19 104.69 1ya8 n GLY 513 Ca 0.16 -0.66 -0.15 0.00 0.00 0.00 0.00 46.02 45.37 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 2.13 0.74 0.99 1.43 -0.86 -5.11 118.68 118.01 1ya8 s LEU 514 Ca 0.00 -0.32 -0.15 0.00 -1.03 0.00 0.00 54.13 52.62 1ya8 s LEU 514 Cb 0.00 -0.25 0.03 0.00 0.03 0.00 0.00 46.19 46.00 1ya8 s LEU 514 CO 0.00 -0.06 1.12 -2.65 0.23 0.00 0.00 176.35 175.00 1ya8 n PRO 515 N 2.21 0.52 -2.36 1.29 -0.02 -1.26 -4.75 135.00 130.63 1ya8 n PRO 515 Ca -0.18 0.24 -0.42 0.00 -2.02 0.00 0.00 63.50 61.12 1ya8 n PRO 515 Cb 0.56 -2.37 -0.03 0.00 -0.02 0.00 0.00 33.50 31.64 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 -1.84 3.26 -0.44 6.00 2.46 -1.26 -4.85 115.29 118.63 1ya8 s HIS 516 Ca 0.75 1.15 -0.08 0.00 0.47 0.00 0.00 55.06 57.36 1ya8 s HIS 516 Cb -0.33 -3.50 0.10 0.00 -0.13 0.00 0.00 32.58 28.72 1ya8 s HIS 516 CO 0.48 -1.64 0.28 -0.46 -2.47 0.00 0.00 174.74 170.93 1ya8 s TRP 517 N 1.51 3.42 0.89 3.88 -0.11 -1.26 -4.33 118.94 122.95 1ya8 s TRP 517 Ca 0.60 -1.86 -0.10 0.00 1.22 0.00 0.00 56.10 55.96 1ya8 s TRP 517 Cb -0.30 -3.22 0.13 0.00 -1.50 0.00 0.00 33.47 28.58 1ya8 s TRP 517 CO 0.27 -0.94 1.15 -1.25 -4.62 0.00 0.00 176.95 171.57 1ya8 s PRO 518 N 1.34 1.20 0.26 5.86 0.04 -1.26 -4.84 135.00 137.60 1ya8 s PRO 518 Ca 0.05 1.53 -0.17 0.00 0.04 0.00 0.00 61.00 62.45 1ya8 s PRO 518 Cb -0.24 -1.75 -0.08 0.00 0.04 0.00 0.00 34.50 32.46 1ya8 s PRO 518 CO -0.00 -2.49 0.71 -2.00 0.04 0.00 0.00 177.00 173.25 1ya8 s GLU 519 N -4.63 4.11 -1.37 4.56 2.12 -1.26 -4.67 118.70 117.56 1ya8 s GLU 519 Ca 0.67 0.74 -0.16 0.00 0.36 0.00 0.00 54.97 56.57 1ya8 s GLU 519 Cb -0.23 -2.67 0.05 0.00 0.26 0.00 0.00 34.13 31.53 1ya8 s GLU 519 CO 0.57 0.29 2.01 0.98 -0.54 0.00 0.00 175.26 178.57 1ya8 n TYR 520 N 0.21 3.97 -0.33 5.30 9.36 0.39 -3.88 117.16 132.19 1ya8 n TYR 520 Ca 0.00 -2.87 0.00 0.00 3.32 0.00 0.00 57.90 58.35 1ya8 n TYR 520 Cb 0.52 -2.58 0.00 0.00 -0.63 0.00 0.00 39.34 36.65 1ya8 n TYR 520 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 1ya8 n ASN 521 N 7.26 0.00 0.21 2.98 0.23 -1.26 -4.63 115.26 120.06 1ya8 n ASN 521 Ca 0.51 0.00 0.09 0.00 -0.53 0.00 0.00 54.58 54.64 1ya8 n ASN 521 Cb 0.42 0.00 0.43 0.00 -2.08 0.00 0.00 39.78 38.55 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 0.00 0.00 -3.83 1.08 -2.00 -2.45 115.11 107.91 1ya8 h GLN 522 Ca 0.00 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.10 1ya8 h GLN 522 Cb 0.00 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 1ya8 h GLN 522 CO 0.00 0.26 -0.50 0.87 -0.95 0.00 0.00 178.83 178.52 1ya8 h LYS 523 N 0.00 0.00 -3.60 1.46 6.56 -1.93 -3.48 116.57 115.58 1ya8 h LYS 523 Ca -0.00 0.00 -0.16 0.00 -1.06 0.00 0.00 60.65 59.43 1ya8 h LYS 523 Cb 0.78 0.00 0.08 0.00 -0.57 0.00 0.00 32.23 32.51 1ya8 h LYS 523 CO 0.03 0.50 -0.35 0.39 -2.06 0.00 0.00 179.45 177.96 1ya8 n GLU 524 N -3.56 -3.16 -2.60 3.15 1.02 -0.92 -3.90 120.64 110.67 1ya8 n GLU 524 Ca -0.00 0.39 -0.39 0.00 -0.02 0.00 0.00 57.16 57.13 1ya8 n GLU 524 Cb 0.59 -4.05 -0.05 0.00 -0.02 0.00 0.00 31.44 27.91 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 -3.55 3.02 0.16 0.62 0.00 -1.25 -1.36 107.32 104.97 1ya8 s GLY 525 Ca 0.05 0.75 -0.03 0.00 0.00 0.00 0.00 44.72 45.49 1ya8 s GLY 525 CO 0.34 1.31 0.13 -2.52 0.00 0.00 0.00 173.10 172.36 1ya8 s TYR 526 N -1.27 0.84 -0.14 1.90 -0.85 -0.46 -3.81 117.35 113.57 1ya8 s TYR 526 Ca 0.45 -1.17 -0.04 0.00 -0.52 0.00 0.00 57.07 55.79 1ya8 s TYR 526 Cb -0.28 -0.40 -0.03 0.00 0.38 0.00 0.00 41.96 41.62 1ya8 s TYR 526 CO 0.35 -0.60 0.01 -1.17 -1.52 0.00 0.00 175.55 172.61 1ya8 s LEU 527 N -3.06 3.53 -0.30 -3.49 2.96 -1.02 -0.92 118.68 116.38 1ya8 s LEU 527 Ca 0.27 0.03 -0.13 0.00 -0.22 0.00 0.00 54.13 54.07 1ya8 s LEU 527 Cb 0.06 -1.85 -0.03 0.00 0.50 0.00 0.00 46.19 44.87 1ya8 s LEU 527 CO 0.04 0.25 0.29 -1.10 -1.32 0.00 0.00 176.35 174.51 1ya8 s GLN 528 N -0.08 3.82 -0.10 1.98 -0.21 -0.50 -1.53 119.66 123.05 1ya8 s GLN 528 Ca 0.04 -0.28 -0.02 0.00 0.02 0.00 0.00 55.36 55.12 1ya8 s GLN 528 Cb -0.13 -3.71 -0.03 0.00 1.00 0.00 0.00 33.01 30.14 1ya8 s GLN 528 CO 0.02 -0.32 -0.01 0.42 -2.12 0.00 0.00 175.29 173.28 1ya8 s ILE 529 N 1.90 4.20 -4.66 1.08 1.01 -0.70 -1.86 121.20 122.18 1ya8 s ILE 529 Ca 0.10 -0.28 0.00 0.00 0.00 0.00 0.00 60.65 60.47 1ya8 s ILE 529 Cb -0.16 -2.78 0.00 0.00 0.01 0.00 0.00 42.46 39.53 1ya8 s ILE 529 CO 0.11 0.58 0.00 0.61 0.00 0.00 0.00 174.94 176.24 1ya8 n GLY 530 N 2.39 -0.51 0.25 6.18 0.00 -1.26 -0.52 105.19 111.72 1ya8 n GLY 530 Ca -0.18 -0.83 0.02 0.00 0.00 0.00 0.00 46.02 45.03 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 0.88 -3.42 4.61 0.00 -1.97 -3.29 119.26 116.07 1ya8 h ALA 531 Ca 0.00 0.09 -0.67 0.00 0.00 0.00 0.00 54.91 54.34 1ya8 h ALA 531 Cb 0.00 0.06 -0.39 0.00 0.00 0.00 0.00 17.79 17.46 1ya8 h ALA 531 CO 0.00 -0.18 -0.61 -0.80 0.00 0.00 0.00 179.25 177.65 1ya8 s ASN 532 N -5.39 4.80 -0.29 0.00 0.01 -1.26 -5.08 114.94 107.72 1ya8 s ASN 532 Ca -0.13 -2.48 -0.21 0.00 -0.71 0.00 0.00 52.86 49.34 1ya8 s ASN 532 Cb 0.18 -1.70 -0.01 0.00 0.41 0.00 0.00 41.25 40.13 1ya8 s ASN 532 CO 0.75 -0.37 0.66 -0.89 -1.51 0.00 0.00 177.10 175.74 1ya8 s THR 533 N 0.47 4.92 0.11 1.60 2.01 -1.24 -4.76 115.64 118.75 1ya8 s THR 533 Ca 0.13 0.97 -0.13 0.00 0.31 0.00 0.00 61.69 62.98 1ya8 s THR 533 Cb -0.22 -4.01 0.02 0.00 0.01 0.00 0.00 72.50 68.30 1ya8 s THR 533 CO -0.04 -0.13 0.31 0.00 -0.69 0.00 0.00 174.62 174.07 1ya8 s GLN 534 N 2.65 0.99 1.04 4.92 0.00 -0.78 -4.90 119.66 123.57 1ya8 s GLN 534 Ca 0.27 -0.84 -0.12 0.00 -0.00 0.00 0.00 55.36 54.66 1ya8 s GLN 534 Cb -0.15 0.41 0.21 0.00 0.00 0.00 0.00 33.01 33.48 1ya8 s GLN 534 CO 0.11 -0.36 1.07 0.00 0.00 0.00 0.00 175.29 176.12 1ya8 s ALA 535 N -3.84 0.59 0.18 2.60 0.00 -1.26 -1.41 121.76 118.63 1ya8 s ALA 535 Ca 0.05 -0.24 -0.13 0.00 0.00 0.00 0.00 51.96 51.64 1ya8 s ALA 535 Cb 0.03 -3.17 0.05 0.00 0.00 0.00 0.00 23.12 20.03 1ya8 s ALA 535 CO -0.11 -3.09 0.64 0.00 0.00 0.00 0.00 175.76 173.20 1ya8 n ALA 536 N -4.38 -1.60 -2.32 0.00 0.00 -0.10 -4.76 120.51 107.36 1ya8 n ALA 536 Ca 0.05 -0.76 -0.08 0.00 0.00 0.00 0.00 53.44 52.65 1ya8 n ALA 536 Cb 0.56 0.50 -0.10 0.00 0.00 0.00 0.00 19.45 20.42 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 -2.04 0.61 -1.47 0.00 -0.21 -1.26 -1.36 119.66 113.93 1ya8 s GLN 537 Ca 0.14 -1.06 -0.12 0.00 0.02 0.00 0.00 55.36 54.34 1ya8 s GLN 537 Cb -0.02 0.22 0.08 0.00 1.00 0.00 0.00 33.01 34.29 1ya8 s GLN 537 CO 0.05 -0.13 0.77 1.63 -2.12 0.00 0.00 175.29 175.49 1ya8 n LYS 538 N 0.31 -4.64 -1.60 2.91 5.02 -0.46 -4.91 118.16 114.78 1ya8 n LYS 538 Ca -0.16 0.58 -0.59 0.00 -2.02 0.00 0.00 58.31 56.13 1ya8 n LYS 538 Cb 0.60 -5.41 -0.08 0.00 -0.02 0.00 0.00 35.03 30.13 1ya8 n LYS 538 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1ya8 n LEU 539 N -4.29 1.04 -0.04 -0.35 7.94 -1.26 -0.65 117.00 119.39 1ya8 n LEU 539 Ca 0.01 1.14 -0.00 0.00 -1.11 0.00 0.00 56.01 56.05 1ya8 n LEU 539 Cb 0.54 -1.02 -0.00 0.00 0.53 0.00 0.00 43.42 43.47 1ya8 n LEU 539 CO 0.65 -1.24 -0.00 0.29 -1.11 0.00 0.00 177.39 175.97 1ya8 n LYS 540 N 2.84 -1.98 -0.28 1.96 4.76 -1.26 -4.84 118.16 119.36 1ya8 n LYS 540 Ca 0.23 0.43 0.04 0.00 -2.87 0.00 0.00 58.31 56.14 1ya8 n LYS 540 Cb 0.09 -4.60 0.14 0.00 -1.84 0.00 0.00 35.03 28.82 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 -0.58 -0.37 4.39 1.82 -1.27 -1.48 116.42 118.93 1ya8 h ASP 541 Ca -0.01 0.23 -0.06 0.00 -0.39 0.00 0.00 57.03 56.79 1ya8 h ASP 541 Cb 0.84 0.44 -0.01 0.00 0.68 0.00 0.00 39.33 41.28 1ya8 h ASP 541 CO 0.01 -0.24 -0.01 0.50 -1.61 0.00 0.00 179.24 177.89 1ya8 h LYS 542 N 0.04 0.66 -0.73 0.28 3.64 -1.89 -3.06 116.57 115.51 1ya8 h LYS 542 Ca 0.41 -0.22 -0.01 0.00 -1.27 0.00 0.00 60.65 59.57 1ya8 h LYS 542 Cb 0.69 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.42 1ya8 h LYS 542 CO -0.77 0.77 0.43 0.93 -2.27 0.00 0.00 179.45 178.54 1ya8 h GLU 543 N 0.48 0.99 -0.56 1.90 3.07 -1.71 -2.28 114.58 116.48 1ya8 h GLU 543 Ca 0.10 -0.10 -0.05 0.00 -0.50 0.00 0.00 59.36 58.81 1ya8 h GLU 543 Cb 0.48 -0.20 -0.03 0.00 -0.84 0.00 0.00 28.75 28.16 1ya8 h GLU 543 CO 0.02 0.71 0.13 0.28 -1.40 0.00 0.00 179.01 178.75 1ya8 h VAL 544 N 1.00 1.23 -0.32 3.13 2.07 -1.32 -1.53 116.25 120.51 1ya8 h VAL 544 Ca 0.26 -0.85 -0.02 0.00 0.82 0.00 0.00 66.70 66.91 1ya8 h VAL 544 Cb -0.02 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 1ya8 h VAL 544 CO -0.05 0.32 0.11 0.00 0.02 0.00 0.00 177.57 177.97 1ya8 h ALA 545 N 1.31 0.42 0.51 1.67 0.00 -1.39 -0.44 119.26 121.35 1ya8 h ALA 545 Ca 0.18 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1ya8 h ALA 545 Cb 0.31 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1ya8 h ALA 545 CO -0.00 0.05 -0.25 0.35 0.00 0.00 0.00 179.25 179.40 1ya8 h PHE 546 N 0.37 -0.64 -0.57 0.00 3.57 -1.03 -1.62 116.94 117.01 1ya8 h PHE 546 Ca 0.10 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.51 1ya8 h PHE 546 Cb 0.23 0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.16 1ya8 h PHE 546 CO 0.00 -0.40 0.03 -1.49 -2.23 0.00 0.00 178.31 174.23 1ya8 h TRP 547 N -0.69 1.02 -0.49 0.41 4.06 -1.29 0.32 115.95 119.29 1ya8 h TRP 547 Ca -0.07 -0.15 -0.00 0.00 2.06 0.00 0.00 58.89 60.73 1ya8 h TRP 547 Cb 0.53 -0.28 -0.02 0.00 -1.00 0.00 0.00 29.16 28.39 1ya8 h TRP 547 CO -0.04 0.90 0.29 1.15 -3.56 0.00 0.00 178.44 177.18 1ya8 h THR 548 N 0.89 1.15 -0.17 1.49 2.02 -1.04 0.14 112.91 117.38 1ya8 h THR 548 Ca 0.17 -0.34 -0.03 0.00 0.77 0.00 0.00 66.41 66.97 1ya8 h THR 548 Cb 0.47 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 1ya8 h THR 548 CO 0.02 0.15 -0.03 -1.13 0.37 0.00 0.00 175.52 174.91 1ya8 h ASN 549 N 0.65 0.32 -0.52 4.18 -1.24 -0.95 -2.77 115.58 115.25 1ya8 h ASN 549 Ca 0.18 -0.35 -0.04 0.00 0.71 0.00 0.00 56.30 56.79 1ya8 h ASN 549 Cb -0.01 -0.09 -0.02 0.00 0.73 0.00 0.00 38.32 38.94 1ya8 h ASN 549 CO -0.03 0.59 0.15 0.25 -1.29 0.00 0.00 177.43 177.10 1ya8 h LEU 550 N 0.04 0.76 -0.93 0.34 5.85 -0.21 -2.73 115.31 118.44 1ya8 h LEU 550 Ca 0.04 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.55 1ya8 h LEU 550 Cb 0.45 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.27 1ya8 h LEU 550 CO 0.01 0.78 0.00 0.49 -0.34 0.00 0.00 178.44 179.38 1ya8 n PHE 551 N -4.47 0.79 0.77 1.25 0.99 0.47 -2.40 117.46 114.87 1ya8 n PHE 551 Ca 0.02 0.34 0.02 0.00 -0.00 0.00 0.00 57.45 57.83 1ya8 n PHE 551 Cb 0.21 -1.05 0.15 0.00 -1.00 0.00 0.00 39.48 37.79 1ya8 n PHE 551 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1ya8 n ALA 552 N -1.78 1.92 -0.66 4.37 0.00 -1.03 -5.08 120.51 118.26 1ya8 n ALA 552 Ca 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1ya8 n ALA 552 Cb 0.17 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.54 1ya8 n ALA 552 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67