#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ya4 s SER 22 N 0.00 1.35 0.09 4.04 0.15 -1.26 -5.12 113.70 112.94 1ya4 s SER 22 Ca 0.00 -0.15 -0.30 0.00 0.70 0.00 0.00 55.95 56.20 1ya4 s SER 22 Cb 0.00 -0.53 -0.16 0.00 -1.71 0.00 0.00 66.02 63.62 1ya4 s SER 22 CO 0.00 -0.09 0.70 -2.65 1.20 0.00 0.00 173.24 172.39 1ya4 n PRO 23 N 4.45 0.00 -2.56 5.44 -0.02 -1.26 -4.88 135.00 136.17 1ya4 n PRO 23 Ca -0.18 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 60.90 1ya4 n PRO 23 Cb 0.51 -1.09 -0.05 0.00 -0.02 0.00 0.00 33.50 32.85 1ya4 n PRO 23 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1ya4 s PRO 24 N -0.43 4.70 -0.44 0.52 0.02 -1.26 -4.90 135.00 133.23 1ya4 s PRO 24 Ca 0.68 1.71 0.02 0.00 0.02 0.00 0.00 61.00 63.43 1ya4 s PRO 24 Cb -0.96 -3.21 0.14 0.00 0.02 0.00 0.00 34.50 30.49 1ya4 s PRO 24 CO 0.49 0.30 0.26 0.08 -0.33 0.00 0.00 177.00 177.81 1ya4 s VAL 25 N -1.17 1.09 0.58 3.83 1.01 -1.26 -0.81 120.40 123.67 1ya4 s VAL 25 Ca 0.43 -2.50 -0.13 0.00 0.00 0.00 0.00 61.98 59.78 1ya4 s VAL 25 Cb -0.30 -1.76 -0.05 0.00 0.00 0.00 0.00 36.38 34.26 1ya4 s VAL 25 CO 0.38 -0.97 1.01 -0.69 0.00 0.00 0.00 175.10 174.83 1ya4 s VAL 26 N 0.35 4.65 -0.31 2.92 1.01 -0.33 -4.84 120.40 123.85 1ya4 s VAL 26 Ca 0.20 1.00 -0.01 0.00 0.00 0.00 0.00 61.98 63.16 1ya4 s VAL 26 Cb -0.19 -3.81 0.06 0.00 0.00 0.00 0.00 36.38 32.43 1ya4 s VAL 26 CO -0.03 -0.97 0.01 -0.62 0.00 0.00 0.00 175.10 173.48 1ya4 s ASP 27 N -3.76 4.89 0.57 3.32 -1.08 -1.26 -0.94 116.67 118.41 1ya4 s ASP 27 Ca 0.56 -1.35 0.09 0.00 -0.52 0.00 0.00 52.55 51.33 1ya4 s ASP 27 Cb -0.11 -1.71 0.10 0.00 -1.46 0.00 0.00 42.92 39.74 1ya4 s ASP 27 CO 0.45 -0.28 0.79 0.35 0.52 0.00 0.00 175.17 177.00 1ya4 n THR 28 N 4.60 0.00 -0.19 1.71 -2.24 -0.72 -4.85 114.28 112.59 1ya4 n THR 28 Ca -0.12 -1.85 -0.08 0.00 -2.27 0.00 0.00 64.05 59.73 1ya4 n THR 28 Cb 0.43 -0.55 0.02 0.00 -2.10 0.00 0.00 70.33 68.13 1ya4 n THR 28 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1ya4 h VAL 29 N 0.06 1.21 -0.20 2.28 2.07 -1.95 -2.75 116.25 116.98 1ya4 h VAL 29 Ca -0.27 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 66.63 1ya4 h VAL 29 Cb 1.21 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 1ya4 h VAL 29 CO 0.37 0.24 0.00 1.41 0.02 0.00 0.00 177.57 179.62 1ya4 n HIS 30 N -4.54 0.26 0.00 1.57 8.25 -1.26 -5.01 115.22 114.49 1ya4 n HIS 30 Ca 0.03 -0.13 0.00 0.00 -0.26 0.00 0.00 57.72 57.36 1ya4 n HIS 30 Cb 0.14 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.25 1ya4 n HIS 30 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ya4 n GLY 31 N 1.00 1.86 3.76 -1.41 0.00 -1.04 -0.88 105.19 108.48 1ya4 n GLY 31 Ca 0.13 -2.02 -0.40 0.00 0.00 0.00 0.00 46.02 43.73 1ya4 n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ya4 s LYS 32 N -1.45 4.60 -0.06 1.61 1.02 -1.26 -1.76 119.74 122.44 1ya4 s LYS 32 Ca 0.00 1.72 0.04 0.00 0.02 0.00 0.00 55.97 57.75 1ya4 s LYS 32 Cb 0.00 -3.11 0.00 0.00 -0.52 0.00 0.00 37.83 34.20 1ya4 s LYS 32 CO 0.00 0.20 -0.18 0.08 -0.92 0.00 0.00 175.35 174.53 1ya4 s VAL 33 N -1.24 1.52 -0.16 3.17 1.01 -0.11 -1.58 120.40 123.01 1ya4 s VAL 33 Ca 0.46 -0.74 -0.06 0.00 0.00 0.00 0.00 61.98 61.64 1ya4 s VAL 33 Cb -0.30 -1.32 -0.04 0.00 0.00 0.00 0.00 36.38 34.72 1ya4 s VAL 33 CO 0.38 0.44 0.03 -0.22 0.00 0.00 0.00 175.10 175.73 1ya4 s LEU 34 N 0.22 3.65 0.00 3.92 1.98 0.11 -1.18 118.68 127.38 1ya4 s LEU 34 Ca -0.09 0.05 0.00 0.00 -2.89 0.00 0.00 54.13 51.20 1ya4 s LEU 34 Cb -0.14 -1.90 0.00 0.00 0.66 0.00 0.00 46.19 44.81 1ya4 s LEU 34 CO 0.04 0.21 0.00 0.61 -1.89 0.00 0.00 176.35 175.32 1ya4 n GLY 35 N 3.26 5.23 3.14 7.98 0.00 0.01 -0.57 105.19 124.23 1ya4 n GLY 35 Ca -0.17 -1.84 -0.12 0.00 0.00 0.00 0.00 46.02 43.89 1ya4 n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ya4 s LYS 36 N 1.96 0.29 0.08 1.61 -2.85 -0.50 -4.19 119.74 116.14 1ya4 s LYS 36 Ca 0.00 0.50 -0.30 0.00 -1.00 0.00 0.00 55.97 55.17 1ya4 s LYS 36 Cb 0.00 0.03 -0.05 0.00 -2.06 0.00 0.00 37.83 35.74 1ya4 s LYS 36 CO 0.00 -0.10 0.95 -0.06 0.10 0.00 0.00 175.35 176.23 1ya4 s PHE 37 N 0.75 3.78 -0.03 1.78 0.40 -1.26 -1.73 117.98 121.66 1ya4 s PHE 37 Ca -0.05 1.75 0.01 0.00 -0.60 0.00 0.00 56.93 58.04 1ya4 s PHE 37 Cb -0.06 -3.05 0.02 0.00 0.51 0.00 0.00 43.02 40.44 1ya4 s PHE 37 CO -0.05 0.17 -0.03 0.08 0.70 0.00 0.00 175.22 176.10 1ya4 s VAL 38 N 0.20 0.35 -0.07 -0.44 1.01 -0.38 -4.95 120.40 116.11 1ya4 s VAL 38 Ca 0.47 -0.04 -0.04 0.00 0.00 0.00 0.00 61.98 62.37 1ya4 s VAL 38 Cb -0.23 -0.39 -0.04 0.00 0.00 0.00 0.00 36.38 35.72 1ya4 s VAL 38 CO 0.29 0.17 0.11 -0.44 0.00 0.00 0.00 175.10 175.23 1ya4 s SER 39 N 0.80 6.03 0.08 3.32 0.01 -1.26 0.13 113.70 122.80 1ya4 s SER 39 Ca -0.09 0.33 0.03 0.00 1.31 0.00 0.00 55.95 57.52 1ya4 s SER 39 Cb -0.12 -1.86 -0.04 0.00 0.21 0.00 0.00 66.02 64.21 1ya4 s SER 39 CO -0.01 0.36 0.08 -0.22 0.41 0.00 0.00 173.24 173.86 1ya4 s LEU 40 N -1.27 3.82 -0.21 2.44 2.96 -1.26 -5.00 118.68 120.16 1ya4 s LEU 40 Ca 0.18 0.00 -0.42 0.00 -0.22 0.00 0.00 54.13 53.68 1ya4 s LEU 40 Cb -0.12 -2.50 -0.18 0.00 0.50 0.00 0.00 46.19 43.89 1ya4 s LEU 40 CO 0.08 0.17 1.46 1.21 -1.32 0.00 0.00 176.35 177.95 1ya4 n GLU 41 N 0.47 0.51 -2.82 1.98 4.07 -1.26 -1.53 120.64 122.06 1ya4 n GLU 41 Ca -0.08 0.19 -0.20 0.00 -0.06 0.00 0.00 57.16 57.00 1ya4 n GLU 41 Cb 0.52 -1.76 0.02 0.00 -0.06 0.00 0.00 31.44 30.16 1ya4 n GLU 41 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1ya4 n GLY 42 N 3.15 -0.40 2.82 8.31 0.00 -1.26 -5.01 105.19 112.80 1ya4 n GLY 42 Ca 0.25 0.01 -0.26 0.00 0.00 0.00 0.00 46.02 46.02 1ya4 n GLY 42 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ya4 s PHE 43 N -3.08 1.11 0.01 1.61 0.40 -0.58 -5.06 117.98 112.38 1ya4 s PHE 43 Ca 0.22 -0.60 -0.03 0.00 -0.60 0.00 0.00 56.93 55.92 1ya4 s PHE 43 Cb -0.10 -1.04 -0.02 0.00 0.51 0.00 0.00 43.02 42.38 1ya4 s PHE 43 CO 0.27 -0.48 1.04 0.00 0.70 0.00 0.00 175.22 176.75 1ya4 h ALA 44 N 8.24 -0.95 -2.24 5.36 0.00 -1.95 -3.41 119.26 124.32 1ya4 h ALA 44 Ca -0.22 -0.02 -0.56 0.00 0.00 0.00 0.00 54.91 54.11 1ya4 h ALA 44 Cb 1.12 0.12 0.02 0.00 0.00 0.00 0.00 17.79 19.06 1ya4 h ALA 44 CO 0.33 -0.94 1.19 0.94 0.00 0.00 0.00 179.25 180.77 1ya4 n GLN 45 N -2.36 2.63 -2.36 0.00 -0.06 -1.26 -4.96 117.38 109.01 1ya4 n GLN 45 Ca -0.01 0.97 -0.33 0.00 -2.00 0.00 0.00 57.00 55.62 1ya4 n GLN 45 Cb 0.04 -2.89 -0.02 0.00 -4.06 0.00 0.00 30.24 23.31 1ya4 n GLN 45 CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 1ya4 s PRO 46 N 4.36 3.65 -0.10 3.69 0.04 -1.26 -4.80 135.00 140.58 1ya4 s PRO 46 Ca 0.90 1.26 -0.16 0.00 0.04 0.00 0.00 61.00 63.05 1ya4 s PRO 46 Cb -0.52 -2.08 -0.05 0.00 0.04 0.00 0.00 34.50 31.89 1ya4 s PRO 46 CO 0.45 -0.54 0.40 0.08 0.04 0.00 0.00 177.00 177.43 1ya4 s VAL 47 N -2.22 5.18 -0.08 -0.36 1.01 0.12 -4.83 120.40 119.22 1ya4 s VAL 47 Ca 0.65 0.79 -0.28 0.00 0.00 0.00 0.00 61.98 63.15 1ya4 s VAL 47 Cb -0.15 -3.73 -0.02 0.00 0.00 0.00 0.00 36.38 32.48 1ya4 s VAL 47 CO 0.27 0.42 0.91 0.00 0.00 0.00 0.00 175.10 176.70 1ya4 s ALA 48 N 0.10 3.35 -0.13 5.51 0.00 0.16 -1.25 121.76 129.49 1ya4 s ALA 48 Ca 0.22 0.31 0.01 0.00 0.00 0.00 0.00 51.96 52.50 1ya4 s ALA 48 Cb -0.15 -3.29 0.02 0.00 0.00 0.00 0.00 23.12 19.70 1ya4 s ALA 48 CO 0.09 -0.43 -0.14 0.42 0.00 0.00 0.00 175.76 175.70 1ya4 s ILE 49 N 1.56 1.51 -0.20 0.00 1.01 -0.71 -0.88 121.20 123.49 1ya4 s ILE 49 Ca 0.45 -0.61 0.00 0.00 0.00 0.00 0.00 60.65 60.50 1ya4 s ILE 49 Cb -0.19 -1.41 0.02 0.00 0.01 0.00 0.00 42.46 40.89 1ya4 s ILE 49 CO 0.20 0.45 -0.15 -0.36 0.00 0.00 0.00 174.94 175.07 1ya4 s PHE 50 N 1.35 2.89 -0.22 3.97 0.40 -0.72 -1.41 117.98 124.24 1ya4 s PHE 50 Ca 0.01 -1.62 -0.06 0.00 -0.60 0.00 0.00 56.93 54.67 1ya4 s PHE 50 Cb -0.13 -1.96 -0.02 0.00 0.51 0.00 0.00 43.02 41.41 1ya4 s PHE 50 CO -0.08 -0.77 0.02 -0.51 0.70 0.00 0.00 175.22 174.58 1ya4 s LEU 51 N 1.30 3.28 0.00 -0.37 1.43 0.14 -1.37 118.68 123.09 1ya4 s LEU 51 Ca 0.03 -0.22 0.00 0.00 -1.03 0.00 0.00 54.13 52.91 1ya4 s LEU 51 Cb -0.14 -1.85 0.00 0.00 0.03 0.00 0.00 46.19 44.23 1ya4 s LEU 51 CO -0.10 0.02 0.00 0.61 0.23 0.00 0.00 176.35 177.12 1ya4 n GLY 52 N 4.51 0.77 3.69 -3.19 0.00 -1.21 -2.90 105.19 106.86 1ya4 n GLY 52 Ca -0.17 -0.31 -0.40 0.00 0.00 0.00 0.00 46.02 45.13 1ya4 n GLY 52 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ya4 s ILE 53 N -2.33 5.00 0.04 -0.61 1.01 -0.72 -4.85 121.20 118.74 1ya4 s ILE 53 Ca 0.00 1.41 -0.30 0.00 0.00 0.00 0.00 60.65 61.76 1ya4 s ILE 53 Cb 0.00 -4.04 -0.04 0.00 0.01 0.00 0.00 42.46 38.39 1ya4 s ILE 53 CO 0.00 0.15 1.04 -2.16 0.00 0.00 0.00 174.94 173.97 1ya4 s PRO 54 N 1.47 4.54 0.00 2.79 0.04 -1.26 -1.14 135.00 141.44 1ya4 s PRO 54 Ca 0.35 1.53 0.13 0.00 0.04 0.00 0.00 61.00 63.05 1ya4 s PRO 54 Cb -0.17 -3.41 0.10 0.00 0.04 0.00 0.00 34.50 31.05 1ya4 s PRO 54 CO 0.14 -0.07 0.90 1.97 0.04 0.00 0.00 177.00 179.98 1ya4 n PHE 55 N 3.71 0.00 -3.85 0.56 1.16 -1.13 -4.92 117.46 112.99 1ya4 n PHE 55 Ca 0.06 0.00 -0.08 0.00 -1.87 0.00 0.00 57.45 55.57 1ya4 n PHE 55 Cb 0.49 0.00 -0.01 0.00 -1.61 0.00 0.00 39.48 38.36 1ya4 n PHE 55 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1ya4 s ALA 56 N -1.12 -1.08 0.15 1.98 0.00 -1.25 -4.41 121.76 116.03 1ya4 s ALA 56 Ca 0.15 -0.44 -0.29 0.00 0.00 0.00 0.00 51.96 51.38 1ya4 s ALA 56 Cb 0.11 0.80 -0.07 0.00 0.00 0.00 0.00 23.12 23.96 1ya4 s ALA 56 CO 0.17 -1.02 0.93 0.21 0.00 0.00 0.00 175.76 176.05 1ya4 s LYS 57 N -3.47 4.73 0.13 0.00 2.20 0.36 -4.45 119.74 119.24 1ya4 s LYS 57 Ca 0.12 1.42 -0.35 0.00 -0.36 0.00 0.00 55.97 56.81 1ya4 s LYS 57 Cb -0.06 -3.34 -0.16 0.00 -1.51 0.00 0.00 37.83 32.77 1ya4 s LYS 57 CO 0.08 0.35 1.28 -2.30 -0.36 0.00 0.00 175.35 174.39 1ya4 n PRO 58 N 2.27 1.23 -0.97 4.03 -0.02 -1.26 -4.57 135.00 135.71 1ya4 n PRO 58 Ca -0.00 0.44 -0.13 0.00 -2.02 0.00 0.00 63.50 61.79 1ya4 n PRO 58 Cb 0.48 -2.03 -0.09 0.00 -0.02 0.00 0.00 33.50 31.85 1ya4 n PRO 58 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1ya4 n PRO 59 N 2.21 1.83 -2.47 0.52 -0.04 -1.26 -4.92 135.00 130.87 1ya4 n PRO 59 Ca 0.17 -1.11 -0.25 0.00 -0.04 0.00 0.00 63.50 62.27 1ya4 n PRO 59 Cb 0.22 -1.76 0.04 0.00 -0.04 0.00 0.00 33.50 31.96 1ya4 n PRO 59 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1ya4 s LEU 60 N -0.65 3.17 0.00 1.53 1.43 -1.26 -3.16 118.68 119.74 1ya4 s LEU 60 Ca 0.46 0.42 0.00 0.00 -1.03 0.00 0.00 54.13 53.98 1ya4 s LEU 60 Cb 0.25 -3.22 0.00 0.00 0.03 0.00 0.00 46.19 43.26 1ya4 s LEU 60 CO -0.05 -1.19 0.00 0.61 0.23 0.00 0.00 176.35 175.95 1ya4 n GLY 61 N -2.56 3.37 0.17 -3.19 0.00 -1.26 -1.48 105.19 100.24 1ya4 n GLY 61 Ca 0.06 -0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.17 1ya4 n GLY 61 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ya4 h PRO 62 N 0.00 0.00 0.00 1.61 0.13 -1.91 -2.44 132.00 129.38 1ya4 h PRO 62 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1ya4 h PRO 62 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1ya4 h PRO 62 CO 0.00 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.05 1ya4 n LEU 63 N -2.40 0.00 -4.77 1.56 4.77 -0.55 -4.78 117.00 110.83 1ya4 n LEU 63 Ca 0.00 0.27 -0.40 0.00 -0.03 0.00 0.00 56.01 55.86 1ya4 n LEU 63 Cb 0.16 -0.27 -0.02 0.00 -2.33 0.00 0.00 43.42 40.96 1ya4 n LEU 63 CO 0.17 -0.04 0.90 -0.60 -1.33 0.00 0.00 177.39 176.49 1ya4 s ARG 64 N -2.54 4.29 -1.49 3.23 3.52 -0.92 -2.66 118.95 122.38 1ya4 s ARG 64 Ca 0.25 2.02 -0.04 0.00 -0.13 0.00 0.00 55.73 57.83 1ya4 s ARG 64 Cb 0.17 -2.95 0.00 0.00 -1.56 0.00 0.00 34.95 30.61 1ya4 s ARG 64 CO 0.38 -0.17 0.53 1.19 -0.81 0.00 0.00 175.30 176.42 1ya4 n PHE 65 N 0.61 -1.78 -4.11 5.12 3.72 -1.26 -5.00 117.46 114.76 1ya4 n PHE 65 Ca 0.01 0.45 -0.08 0.00 -0.05 0.00 0.00 57.45 57.79 1ya4 n PHE 65 Cb 0.44 -4.27 -0.10 0.00 -0.94 0.00 0.00 39.48 34.61 1ya4 n PHE 65 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1ya4 s THR 66 N -3.13 0.23 0.82 4.37 -4.23 -1.09 -4.87 115.64 107.74 1ya4 s THR 66 Ca 0.26 -1.84 -0.13 0.00 -1.18 0.00 0.00 61.69 58.80 1ya4 s THR 66 Cb -0.12 -1.66 0.09 0.00 1.34 0.00 0.00 72.50 72.15 1ya4 s THR 66 CO 0.32 -0.86 1.18 -2.84 -0.54 0.00 0.00 174.62 171.89 1ya4 s PRO 67 N -3.94 1.59 0.37 3.99 0.02 -1.26 -4.94 135.00 130.82 1ya4 s PRO 67 Ca 0.12 1.67 -0.25 0.00 0.02 0.00 0.00 61.00 62.56 1ya4 s PRO 67 Cb 0.08 -1.78 -0.09 0.00 0.02 0.00 0.00 34.50 32.73 1ya4 s PRO 67 CO -0.07 -2.24 1.08 -1.25 -0.33 0.00 0.00 177.00 174.20 1ya4 s PRO 68 N -4.27 4.25 0.28 5.54 0.04 -1.26 -5.04 135.00 134.53 1ya4 s PRO 68 Ca 0.71 1.63 0.08 0.00 0.04 0.00 0.00 61.00 63.46 1ya4 s PRO 68 Cb -0.27 -2.71 -0.04 0.00 0.04 0.00 0.00 34.50 31.53 1ya4 s PRO 68 CO 0.52 -0.09 0.14 -0.65 0.04 0.00 0.00 177.00 176.96 1ya4 s GLN 69 N -2.22 2.64 0.36 4.56 1.11 -1.26 -4.98 119.66 119.86 1ya4 s GLN 69 Ca 0.55 -1.26 -0.28 0.00 0.01 0.00 0.00 55.36 54.38 1ya4 s GLN 69 Cb -0.26 -2.38 -0.12 0.00 -1.01 0.00 0.00 33.01 29.25 1ya4 s GLN 69 CO 0.32 0.31 1.42 -2.30 0.01 0.00 0.00 175.29 175.06 1ya4 n PRO 70 N -1.11 2.48 -2.37 2.91 -0.02 -1.26 -0.49 135.00 135.14 1ya4 n PRO 70 Ca -0.06 0.87 -0.37 0.00 -2.02 0.00 0.00 63.50 61.92 1ya4 n PRO 70 Cb 0.59 -2.55 -0.02 0.00 -0.02 0.00 0.00 33.50 31.49 1ya4 n PRO 70 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ya4 s ALA 71 N -1.06 3.04 0.20 3.55 0.00 -1.26 -4.01 121.76 122.22 1ya4 s ALA 71 Ca 0.54 0.85 -0.30 0.00 0.00 0.00 0.00 51.96 53.05 1ya4 s ALA 71 Cb -0.51 -3.34 -0.09 0.00 0.00 0.00 0.00 23.12 19.18 1ya4 s ALA 71 CO 0.63 -0.47 1.35 -1.21 0.00 0.00 0.00 175.76 176.06 1ya4 s GLU 72 N -2.57 4.35 0.18 0.00 0.41 -1.26 -4.92 118.70 114.89 1ya4 s GLU 72 Ca 0.61 2.12 -0.30 0.00 -0.41 0.00 0.00 54.97 56.98 1ya4 s GLU 72 Cb -0.26 -3.18 -0.08 0.00 -1.78 0.00 0.00 34.13 28.83 1ya4 s GLU 72 CO 0.32 -0.31 1.21 -1.25 -0.49 0.00 0.00 175.26 174.74 1ya4 s PRO 73 N -0.05 4.48 0.37 0.39 0.04 -1.26 -5.02 135.00 133.94 1ya4 s PRO 73 Ca 0.58 1.89 0.01 0.00 0.04 0.00 0.00 61.00 63.52 1ya4 s PRO 73 Cb -0.38 -3.24 -0.02 0.00 0.04 0.00 0.00 34.50 30.90 1ya4 s PRO 73 CO 0.39 -0.11 0.57 1.67 0.04 0.00 0.00 177.00 179.56 1ya4 s TRP 74 N -0.01 3.40 -0.11 0.56 -2.14 -0.06 -5.02 118.94 115.56 1ya4 s TRP 74 Ca 0.53 0.28 -0.08 0.00 2.66 0.00 0.00 56.10 59.49 1ya4 s TRP 74 Cb -0.33 -2.00 -0.27 0.00 -3.10 0.00 0.00 33.47 27.77 1ya4 s TRP 74 CO 0.37 -0.00 0.42 0.77 -2.66 0.00 0.00 176.95 175.85 1ya4 h SER 75 N 0.68 0.45 0.00 -2.66 0.02 -1.96 -3.42 113.55 106.65 1ya4 h SER 75 Ca -0.49 -0.95 0.00 0.00 -0.84 0.00 0.00 61.79 59.52 1ya4 h SER 75 Cb 1.23 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.62 1ya4 h SER 75 CO 0.60 1.84 0.00 0.49 -1.14 0.00 0.00 176.83 178.62 1ya4 n PHE 76 N -3.53 0.00 -4.03 3.45 3.01 -1.26 -4.97 117.46 110.14 1ya4 n PHE 76 Ca -0.30 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 57.82 1ya4 n PHE 76 Cb 1.05 0.00 -0.15 0.00 -0.01 0.00 0.00 39.48 40.37 1ya4 n PHE 76 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1ya4 s VAL 77 N 2.84 2.43 0.06 -4.37 1.01 -1.26 -3.98 120.40 117.13 1ya4 s VAL 77 Ca 0.00 -1.40 -0.30 0.00 0.00 0.00 0.00 61.98 60.27 1ya4 s VAL 77 Cb 0.00 -2.34 -0.05 0.00 0.00 0.00 0.00 36.38 33.99 1ya4 s VAL 77 CO 0.00 0.06 1.06 -0.75 0.00 0.00 0.00 175.10 175.47 1ya4 s LYS 78 N 1.19 4.55 -0.94 2.72 2.20 -0.62 -4.85 119.74 123.99 1ya4 s LYS 78 Ca -0.05 1.57 -0.19 0.00 -0.36 0.00 0.00 55.97 56.94 1ya4 s LYS 78 Cb -0.19 -3.39 0.12 0.00 -1.51 0.00 0.00 37.83 32.87 1ya4 s LYS 78 CO -0.05 -0.05 1.17 -0.80 -0.36 0.00 0.00 175.35 175.26 1ya4 s ASN 79 N 0.70 6.61 -1.38 1.43 -0.87 -1.26 0.09 114.94 120.26 1ya4 s ASN 79 Ca 0.53 -1.97 -0.14 0.00 -1.57 0.00 0.00 52.86 49.71 1ya4 s ASN 79 Cb -0.25 -2.42 -0.02 0.00 -0.02 0.00 0.00 41.25 38.54 1ya4 s ASN 79 CO 0.30 -1.12 2.35 0.00 -2.57 0.00 0.00 177.10 176.06 1ya4 n ALA 80 N 6.84 5.68 -1.67 0.60 0.00 0.26 -4.48 120.51 127.74 1ya4 n ALA 80 Ca 0.25 -3.63 0.06 0.00 0.00 0.00 0.00 53.44 50.12 1ya4 n ALA 80 Cb 0.49 -3.49 0.12 0.00 0.00 0.00 0.00 19.45 16.57 1ya4 n ALA 80 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1ya4 n THR 81 N 4.83 1.33 -3.85 0.00 -2.24 -1.14 0.27 114.28 113.48 1ya4 n THR 81 Ca 0.57 -1.98 -0.12 0.00 -2.27 0.00 0.00 64.05 60.26 1ya4 n THR 81 Cb 0.34 0.11 -0.12 0.00 -2.10 0.00 0.00 70.33 68.57 1ya4 n THR 81 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1ya4 s SER 82 N -2.52 -0.07 -0.04 3.42 0.01 -1.22 -4.94 113.70 108.34 1ya4 s SER 82 Ca 0.29 0.08 -0.30 0.00 1.31 0.00 0.00 55.95 57.33 1ya4 s SER 82 Cb 0.28 0.24 -0.06 0.00 0.21 0.00 0.00 66.02 66.70 1ya4 s SER 82 CO -0.05 -0.16 1.59 -0.31 0.41 0.00 0.00 173.24 174.73 1ya4 s TYR 83 N -0.45 2.20 0.94 2.43 2.02 -1.26 -3.92 117.35 119.31 1ya4 s TYR 83 Ca -0.05 0.34 -0.10 0.00 -0.37 0.00 0.00 57.07 56.89 1ya4 s TYR 83 Cb -0.03 -3.86 0.16 0.00 -0.40 0.00 0.00 41.96 37.82 1ya4 s TYR 83 CO 0.00 -3.53 1.14 -1.25 -1.57 0.00 0.00 175.55 170.35 1ya4 s PRO 84 N 3.64 0.83 0.78 -1.71 0.04 -1.26 -4.95 135.00 132.37 1ya4 s PRO 84 Ca 0.71 1.51 -0.11 0.00 0.04 0.00 0.00 61.00 63.15 1ya4 s PRO 84 Cb -0.33 -1.71 0.06 0.00 0.04 0.00 0.00 34.50 32.56 1ya4 s PRO 84 CO 0.28 -2.75 1.08 -2.14 0.04 0.00 0.00 177.00 173.52 1ya4 s PRO 85 N -4.63 2.21 -0.01 0.56 0.02 -1.26 -4.78 135.00 127.11 1ya4 s PRO 85 Ca 0.67 0.93 -0.05 0.00 0.02 0.00 0.00 61.00 62.57 1ya4 s PRO 85 Cb -0.23 -1.91 -0.04 0.00 0.02 0.00 0.00 34.50 32.34 1ya4 s PRO 85 CO 0.59 -1.61 0.21 0.00 -0.33 0.00 0.00 177.00 175.86 1ya4 s MET 86 N -5.00 3.50 0.68 5.54 0.23 0.54 -4.72 119.30 120.07 1ya4 s MET 86 Ca 0.61 -0.20 -0.17 0.00 -1.03 0.00 0.00 55.69 54.90 1ya4 s MET 86 Cb -0.16 -3.10 -0.03 0.00 -1.53 0.00 0.00 34.83 30.01 1ya4 s MET 86 CO 0.56 0.67 0.75 0.00 -2.03 0.00 0.00 175.02 174.96 1ya4 n THR 88 N -2.20 0.26 -3.49 0.00 -1.04 -1.19 -4.66 114.28 101.96 1ya4 n THR 88 Ca 0.12 -0.07 -0.09 0.00 -2.04 0.00 0.00 64.05 61.97 1ya4 n THR 88 Cb 0.49 -1.40 -0.02 0.00 -1.82 0.00 0.00 70.33 67.57 1ya4 n THR 88 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ya4 s GLN 89 N 0.48 0.90 -0.22 -2.82 -2.07 -1.26 -4.72 119.66 109.95 1ya4 s GLN 89 Ca 0.77 -0.32 -0.34 0.00 -1.82 0.00 0.00 55.36 53.65 1ya4 s GLN 89 Cb -0.71 0.42 -0.11 0.00 -1.09 0.00 0.00 33.01 31.51 1ya4 s GLN 89 CO 0.42 -0.39 2.03 -3.47 -1.32 0.00 0.00 175.29 172.56 1ya4 n ASP 90 N -0.24 2.85 0.10 12.60 2.03 -1.26 -4.82 116.55 127.81 1ya4 n ASP 90 Ca -0.10 0.67 0.19 0.00 0.52 0.00 0.00 54.79 56.06 1ya4 n ASP 90 Cb 0.62 -1.34 0.74 0.00 -0.72 0.00 0.00 41.12 40.43 1ya4 n ASP 90 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1ya4 h PRO 91 N 11.00 0.00 0.02 -0.67 0.13 -1.98 -0.87 132.00 139.62 1ya4 h PRO 91 Ca -0.40 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1ya4 h PRO 91 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1ya4 h PRO 91 CO 0.98 0.00 -0.01 0.87 -0.23 0.00 0.00 178.00 179.61 1ya4 h LYS 92 N 0.00 -0.03 -0.99 0.86 1.57 -1.99 -2.51 116.57 113.48 1ya4 h LYS 92 Ca 0.17 0.00 0.13 0.00 -1.87 0.00 0.00 60.65 59.09 1ya4 h LYS 92 Cb 0.80 0.01 -0.09 0.00 0.08 0.00 0.00 32.23 33.02 1ya4 h LYS 92 CO -0.00 0.13 0.62 0.00 -0.57 0.00 0.00 179.45 179.62 1ya4 h ALA 93 N -0.86 1.52 0.22 3.86 0.00 -1.94 0.39 119.26 122.45 1ya4 h ALA 93 Ca -0.00 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1ya4 h ALA 93 Cb 0.16 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1ya4 h ALA 93 CO 0.00 0.16 -0.10 0.78 0.00 0.00 0.00 179.25 180.09 1ya4 h GLY 94 N 0.93 -0.31 1.23 0.00 0.00 -1.27 -1.54 103.07 102.12 1ya4 h GLY 94 Ca 0.51 0.11 -0.06 0.00 0.00 0.00 0.00 47.33 47.89 1ya4 h GLY 94 CO -0.29 -0.11 0.16 -1.61 0.00 0.00 0.00 176.54 174.69 1ya4 h GLN 95 N -0.44 0.96 0.54 4.80 4.15 -0.97 -2.27 115.11 121.89 1ya4 h GLN 95 Ca -0.03 -0.20 -0.02 0.00 0.77 0.00 0.00 58.65 59.17 1ya4 h GLN 95 Cb 0.34 -0.14 -0.00 0.00 0.21 0.00 0.00 27.48 27.88 1ya4 h GLN 95 CO 0.05 0.84 -0.32 1.25 -1.93 0.00 0.00 178.83 178.73 1ya4 h LEU 96 N 0.92 -0.79 -1.73 -2.39 5.85 -0.83 -2.38 115.31 113.96 1ya4 h LEU 96 Ca 0.20 0.04 0.06 0.00 0.84 0.00 0.00 57.88 59.03 1ya4 h LEU 96 Cb 0.31 0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 1ya4 h LEU 96 CO -0.00 -0.51 0.30 0.25 -0.34 0.00 0.00 178.44 178.14 1ya4 h LEU 97 N -0.81 0.29 -1.02 2.25 5.85 -1.22 -1.08 115.31 119.57 1ya4 h LEU 97 Ca -0.07 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.63 1ya4 h LEU 97 Cb 0.65 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.59 1ya4 h LEU 97 CO 0.08 0.19 0.35 -1.28 -0.34 0.00 0.00 178.44 177.43 1ya4 h SER 98 N 0.33 0.95 -0.04 1.25 0.87 -0.93 -2.45 113.55 113.52 1ya4 h SER 98 Ca 0.19 -0.11 -0.07 0.00 -1.23 0.00 0.00 61.79 60.58 1ya4 h SER 98 Cb 0.35 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 1ya4 h SER 98 CO -0.04 0.80 -0.26 -0.33 -0.53 0.00 0.00 176.83 176.47 1ya4 h GLU 99 N 1.04 0.24 0.00 2.24 5.08 -0.73 -1.00 114.58 121.44 1ya4 h GLU 99 Ca 0.25 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1ya4 h GLU 99 Cb 0.11 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1ya4 h GLU 99 CO -0.03 0.88 0.00 -0.07 -1.00 0.00 0.00 179.01 178.78 1ya4 h LEU 100 N -0.33 0.00 0.00 1.33 3.38 -1.36 -3.24 115.31 115.10 1ya4 h LEU 100 Ca -0.02 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 1ya4 h LEU 100 Cb 0.94 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 1ya4 h LEU 100 CO 0.05 0.00 -1.39 0.49 0.09 0.00 0.00 178.44 177.68 1ya4 n PHE 101 N -2.67 0.00 -1.58 1.13 3.01 -0.93 -4.98 117.46 111.44 1ya4 n PHE 101 Ca -0.00 0.00 -0.48 0.00 1.01 0.00 0.00 57.45 57.98 1ya4 n PHE 101 Cb 0.17 -0.26 -0.03 0.00 -0.01 0.00 0.00 39.48 39.34 1ya4 n PHE 101 CO 0.00 0.00 0.00 -2.37 1.01 0.00 0.00 176.76 175.40 1ya4 n THR 102 N -2.06 1.13 0.44 4.37 5.66 -0.38 -4.87 114.28 118.57 1ya4 n THR 102 Ca -0.07 -0.28 0.12 0.00 -3.05 0.00 0.00 64.05 60.76 1ya4 n THR 102 Cb 0.52 -0.89 0.23 0.00 -1.55 0.00 0.00 70.33 68.63 1ya4 n THR 102 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 1ya4 n ASN 103 N 1.87 3.25 -4.95 1.09 6.94 -1.26 -4.96 115.26 117.24 1ya4 n ASN 103 Ca 0.14 -1.96 -0.19 0.00 -0.02 0.00 0.00 54.58 52.54 1ya4 n ASN 103 Cb 0.26 -0.23 -0.01 0.00 -2.36 0.00 0.00 39.78 37.44 1ya4 n ASN 103 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ya4 s ARG 104 N -1.54 2.74 0.01 -3.83 1.70 -1.26 -4.24 118.95 112.53 1ya4 s ARG 104 Ca 0.38 -1.33 -0.05 0.00 -0.47 0.00 0.00 55.73 54.25 1ya4 s ARG 104 Cb 0.22 -2.60 -0.03 0.00 -0.57 0.00 0.00 34.95 31.98 1ya4 s ARG 104 CO 0.31 -0.18 1.08 1.57 -1.08 0.00 0.00 175.30 177.00 1ya4 h LYS 105 N 0.86 -0.15 -5.67 3.89 2.10 -1.94 -3.43 116.57 112.23 1ya4 h LYS 105 Ca -0.41 0.01 -0.63 0.00 -2.00 0.00 0.00 60.65 57.61 1ya4 h LYS 105 Cb 1.27 0.03 -0.08 0.00 -0.90 0.00 0.00 32.23 32.56 1ya4 h LYS 105 CO 0.51 -0.10 -0.38 -1.83 -2.00 0.00 0.00 179.45 175.66 1ya4 s GLU 106 N -3.42 3.80 -0.02 0.07 -1.05 -1.26 -5.04 118.70 111.78 1ya4 s GLU 106 Ca -0.03 0.05 -0.29 0.00 -0.15 0.00 0.00 54.97 54.55 1ya4 s GLU 106 Cb 0.01 -3.27 -0.03 0.00 -0.44 0.00 0.00 34.13 30.40 1ya4 s GLU 106 CO 0.09 0.60 0.96 1.21 0.95 0.00 0.00 175.26 179.07 1ya4 s ASN 107 N -0.60 7.32 -0.20 0.83 3.04 -1.26 -4.99 114.94 119.07 1ya4 s ASN 107 Ca 0.17 1.60 -0.23 0.00 0.04 0.00 0.00 52.86 54.44 1ya4 s ASN 107 Cb -0.13 -2.55 -0.02 0.00 -1.54 0.00 0.00 41.25 37.01 1ya4 s ASN 107 CO 0.06 -0.27 0.72 -0.63 -3.04 0.00 0.00 177.10 173.94 1ya4 s ILE 108 N 1.14 4.94 0.15 -5.21 -1.09 -1.26 -5.02 121.20 114.85 1ya4 s ILE 108 Ca 0.50 1.38 -0.31 0.00 -2.23 0.00 0.00 60.65 59.99 1ya4 s ILE 108 Cb -0.20 -4.03 -0.08 0.00 -1.58 0.00 0.00 42.46 36.57 1ya4 s ILE 108 CO 0.26 0.04 1.33 -2.16 -1.23 0.00 0.00 174.94 173.18 1ya4 s PRO 109 N 2.22 4.36 0.37 2.79 0.04 -1.26 -5.01 135.00 138.52 1ya4 s PRO 109 Ca 0.32 2.04 0.08 0.00 0.04 0.00 0.00 61.00 63.48 1ya4 s PRO 109 Cb -0.16 -3.23 -0.03 0.00 0.04 0.00 0.00 34.50 31.12 1ya4 s PRO 109 CO 0.10 -0.33 0.26 -0.51 0.04 0.00 0.00 177.00 176.56 1ya4 s LEU 110 N 0.50 3.37 0.23 -3.56 1.43 -1.26 -5.13 118.68 114.26 1ya4 s LEU 110 Ca 0.60 -0.74 0.08 0.00 -1.03 0.00 0.00 54.13 53.05 1ya4 s LEU 110 Cb -0.36 -1.91 -0.04 0.00 0.03 0.00 0.00 46.19 43.90 1ya4 s LEU 110 CO 0.34 -0.46 0.04 -0.75 0.23 0.00 0.00 176.35 175.75 1ya4 s LYS 111 N -3.98 2.48 -0.02 1.70 2.47 -1.26 -4.98 119.74 116.14 1ya4 s LYS 111 Ca 0.42 -1.21 0.01 0.00 -1.56 0.00 0.00 55.97 53.63 1ya4 s LYS 111 Cb -0.03 -2.33 -0.04 0.00 -1.46 0.00 0.00 37.83 33.98 1ya4 s LYS 111 CO 0.25 0.41 0.01 -0.51 0.16 0.00 0.00 175.35 175.67 1ya4 s LEU 112 N -3.42 3.56 -0.23 5.43 1.43 -1.26 -0.34 118.68 123.85 1ya4 s LEU 112 Ca 0.30 0.04 -0.29 0.00 -1.03 0.00 0.00 54.13 53.15 1ya4 s LEU 112 Cb -0.08 -2.00 0.15 0.00 0.03 0.00 0.00 46.19 44.30 1ya4 s LEU 112 CO 0.20 0.30 1.16 -0.55 0.23 0.00 0.00 176.35 177.70 1ya4 s SER 113 N -1.43 -0.24 0.43 2.29 0.15 -1.00 -4.90 113.70 109.00 1ya4 s SER 113 Ca 0.18 0.31 0.21 0.00 0.70 0.00 0.00 55.95 57.35 1ya4 s SER 113 Cb -0.11 0.26 0.98 0.00 -1.71 0.00 0.00 66.02 65.44 1ya4 s SER 113 CO 0.09 -0.19 1.89 -0.33 1.20 0.00 0.00 173.24 175.90 1ya4 h GLU 114 N 2.65 0.00 -6.09 5.44 5.08 -1.94 -3.16 114.58 116.55 1ya4 h GLU 114 Ca -0.17 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.59 1ya4 h GLU 114 Cb 1.18 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.32 1ya4 h GLU 114 CO 0.24 0.27 1.50 0.34 -1.00 0.00 0.00 179.01 180.36 1ya4 s ASP 115 N -6.45 6.51 0.00 1.42 2.15 -1.26 -4.48 116.67 114.56 1ya4 s ASP 115 Ca -0.02 -1.47 0.00 0.00 0.43 0.00 0.00 52.55 51.50 1ya4 s ASP 115 Cb 0.13 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 1ya4 s ASP 115 CO 0.66 -1.50 0.25 0.00 -0.17 0.00 0.00 175.17 174.40 1ya4 n LEU 117 N 0.00 5.17 -4.30 0.00 4.77 -1.26 -4.63 117.00 116.75 1ya4 n LEU 117 Ca 0.00 -3.89 -0.16 0.00 -0.03 0.00 0.00 56.01 51.94 1ya4 n LEU 117 Cb 0.38 -1.72 -0.10 0.00 -2.33 0.00 0.00 43.42 39.65 1ya4 n LEU 117 CO 0.00 0.18 -0.37 -0.31 -1.33 0.00 0.00 177.39 175.57 1ya4 s TYR 118 N 4.55 1.45 0.03 -1.77 1.51 -1.26 -2.84 117.35 119.01 1ya4 s TYR 118 Ca 0.54 -0.84 -0.01 0.00 -1.01 0.00 0.00 57.07 55.75 1ya4 s TYR 118 Cb 0.06 -0.79 -0.02 0.00 -0.11 0.00 0.00 41.96 41.09 1ya4 s TYR 118 CO 0.05 0.03 -0.01 -0.48 -1.11 0.00 0.00 175.55 174.02 1ya4 s LEU 119 N -3.25 2.23 -0.05 -1.29 0.05 -0.29 -2.44 118.68 113.64 1ya4 s LEU 119 Ca 0.23 -0.58 0.02 0.00 0.05 0.00 0.00 54.13 53.86 1ya4 s LEU 119 Cb 0.04 0.17 -0.03 0.00 -2.05 0.00 0.00 46.19 44.32 1ya4 s LEU 119 CO 0.05 -0.37 -0.08 0.20 -0.55 0.00 0.00 176.35 175.60 1ya4 s ASN 120 N -1.75 4.51 -0.03 1.48 0.01 0.36 -1.75 114.94 117.75 1ya4 s ASN 120 Ca -0.11 -0.09 0.07 0.00 -0.71 0.00 0.00 52.86 52.02 1ya4 s ASN 120 Cb -0.06 -1.08 -0.02 0.00 0.41 0.00 0.00 41.25 40.51 1ya4 s ASN 120 CO -0.03 0.34 -0.25 -0.63 -1.51 0.00 0.00 177.10 175.02 1ya4 s ILE 121 N -0.84 2.03 -0.31 0.60 1.01 -0.47 -0.33 121.20 122.90 1ya4 s ILE 121 Ca 0.13 -1.08 0.01 0.00 0.00 0.00 0.00 60.65 59.71 1ya4 s ILE 121 Cb -0.11 -1.70 0.09 0.00 0.01 0.00 0.00 42.46 40.76 1ya4 s ILE 121 CO 0.03 0.57 0.05 -0.31 0.00 0.00 0.00 174.94 175.28 1ya4 s TYR 122 N -0.44 2.57 -0.19 3.97 1.51 0.99 -1.75 117.35 124.01 1ya4 s TYR 122 Ca 0.05 -2.19 -0.02 0.00 -1.01 0.00 0.00 57.07 53.90 1ya4 s TYR 122 Cb -0.11 -2.13 -0.00 0.00 -0.11 0.00 0.00 41.96 39.61 1ya4 s TYR 122 CO 0.01 -0.88 -0.10 -0.08 -1.11 0.00 0.00 175.55 173.39 1ya4 s THR 123 N 1.32 3.03 -1.63 -0.71 -1.32 -0.06 -1.04 115.64 115.23 1ya4 s THR 123 Ca 0.07 -0.63 0.29 0.00 -1.21 0.00 0.00 61.69 60.22 1ya4 s THR 123 Cb -0.18 -2.33 0.48 0.00 -1.51 0.00 0.00 72.50 68.96 1ya4 s THR 123 CO -0.15 0.47 1.90 -0.81 -2.21 0.00 0.00 174.62 173.82 1ya4 n PRO 124 N 4.41 0.67 -2.24 7.08 -0.04 -1.26 -0.66 135.00 142.96 1ya4 n PRO 124 Ca -0.19 -0.20 -0.35 0.00 -0.04 0.00 0.00 63.50 62.73 1ya4 n PRO 124 Cb 0.51 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 1ya4 n PRO 124 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ya4 s ALA 125 N -2.47 2.70 -0.91 0.55 0.00 -1.26 -4.86 121.76 115.50 1ya4 s ALA 125 Ca 0.29 0.75 -0.20 0.00 0.00 0.00 0.00 51.96 52.81 1ya4 s ALA 125 Cb 0.20 -3.34 0.11 0.00 0.00 0.00 0.00 23.12 20.09 1ya4 s ALA 125 CO 0.47 -0.76 1.17 0.34 0.00 0.00 0.00 175.76 176.97 1ya4 s ASP 126 N -1.92 6.54 0.28 0.00 2.15 -1.26 -4.76 116.67 117.71 1ya4 s ASP 126 Ca 0.71 -1.79 0.12 0.00 0.43 0.00 0.00 52.55 52.01 1ya4 s ASP 126 Cb -0.22 -2.43 0.63 0.00 -0.30 0.00 0.00 42.92 40.59 1ya4 s ASP 126 CO 0.28 -1.20 1.24 0.18 -0.17 0.00 0.00 175.17 175.50 1ya4 n LEU 127 N 7.13 0.30 0.00 -1.34 4.77 -1.26 -1.21 117.00 125.39 1ya4 n LEU 127 Ca 0.22 0.53 0.12 0.00 -0.03 0.00 0.00 56.01 56.84 1ya4 n LEU 127 Cb 0.49 -0.48 0.69 0.00 -2.33 0.00 0.00 43.42 41.79 1ya4 n LEU 127 CO 0.55 -0.63 0.88 0.35 -1.33 0.00 0.00 177.39 177.21 1ya4 n THR 128 N -1.96 0.03 -4.12 -5.08 -2.24 -1.26 -4.75 114.28 94.89 1ya4 n THR 128 Ca -0.01 0.01 -0.10 0.00 -2.27 0.00 0.00 64.05 61.68 1ya4 n THR 128 Cb 0.30 -0.64 -0.09 0.00 -2.10 0.00 0.00 70.33 67.80 1ya4 n THR 128 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1ya4 s LYS 129 N -2.06 1.12 0.36 -0.78 1.02 -0.35 -5.14 119.74 113.91 1ya4 s LYS 129 Ca 0.34 -1.45 -0.27 0.00 0.02 0.00 0.00 55.97 54.61 1ya4 s LYS 129 Cb 0.16 0.29 -0.09 0.00 -0.52 0.00 0.00 37.83 37.67 1ya4 s LYS 129 CO 0.28 -0.37 1.16 0.21 -0.92 0.00 0.00 175.35 175.72 1ya4 s LYS 130 N -4.07 4.26 -0.19 1.68 2.20 -1.26 -4.84 119.74 117.51 1ya4 s LYS 130 Ca 0.28 1.86 -0.16 0.00 -0.36 0.00 0.00 55.97 57.59 1ya4 s LYS 130 Cb 0.06 -2.85 0.05 0.00 -1.51 0.00 0.00 37.83 33.58 1ya4 s LYS 130 CO 0.06 -0.15 0.51 -0.80 -0.36 0.00 0.00 175.35 174.61 1ya4 s ASN 131 N -1.01 -0.56 -0.44 1.43 0.01 -1.26 -5.01 114.94 108.10 1ya4 s ASN 131 Ca 0.53 1.04 0.10 0.00 -0.71 0.00 0.00 52.86 53.82 1ya4 s ASN 131 Cb -0.32 1.02 0.37 0.00 0.41 0.00 0.00 41.25 42.74 1ya4 s ASN 131 CO 0.40 -0.19 0.88 0.54 -1.51 0.00 0.00 177.10 177.23 1ya4 n ARG 132 N 3.17 2.03 -2.19 -0.60 3.00 -1.24 -2.94 116.66 117.89 1ya4 n ARG 132 Ca -0.16 -3.97 -0.38 0.00 -0.01 0.00 0.00 57.85 53.33 1ya4 n ARG 132 Cb 0.56 -1.87 -0.01 0.00 0.00 0.00 0.00 32.46 31.15 1ya4 n ARG 132 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1ya4 s LEU 133 N -3.02 4.15 0.36 0.55 1.43 -0.61 -3.50 118.68 118.04 1ya4 s LEU 133 Ca 0.42 2.46 -0.28 0.00 -1.03 0.00 0.00 54.13 55.70 1ya4 s LEU 133 Cb 0.35 -4.04 -0.12 0.00 0.03 0.00 0.00 46.19 42.42 1ya4 s LEU 133 CO -0.09 -0.82 1.34 -0.81 0.23 0.00 0.00 176.35 176.19 1ya4 n PRO 134 N -0.06 2.25 -3.90 1.29 -0.04 -1.26 -0.08 135.00 133.19 1ya4 n PRO 134 Ca 0.05 0.79 -0.37 0.00 -0.04 0.00 0.00 63.50 63.93 1ya4 n PRO 134 Cb 0.46 -2.42 -0.06 0.00 -0.04 0.00 0.00 33.50 31.44 1ya4 n PRO 134 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1ya4 s VAL 135 N -1.11 5.46 -0.22 0.52 1.01 -0.74 -1.67 120.40 123.65 1ya4 s VAL 135 Ca 0.55 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.71 1ya4 s VAL 135 Cb -0.54 -3.39 0.06 0.00 0.00 0.00 0.00 36.38 32.51 1ya4 s VAL 135 CO 0.62 0.60 -0.05 -0.04 0.00 0.00 0.00 175.10 176.23 1ya4 s MET 136 N -1.08 1.57 -0.32 2.72 -1.94 0.33 -0.61 119.30 119.98 1ya4 s MET 136 Ca 0.16 -0.89 -0.14 0.00 -1.71 0.00 0.00 55.69 53.11 1ya4 s MET 136 Cb -0.12 -2.48 -0.02 0.00 2.01 0.00 0.00 34.83 34.21 1ya4 s MET 136 CO 0.05 -0.57 0.33 0.08 -0.01 0.00 0.00 175.02 174.89 1ya4 s VAL 137 N 1.45 5.20 -0.27 -6.03 1.01 -0.00 -0.57 120.40 121.20 1ya4 s VAL 137 Ca -0.04 0.13 -0.13 0.00 0.00 0.00 0.00 61.98 61.94 1ya4 s VAL 137 Cb -0.18 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 1ya4 s VAL 137 CO -0.07 0.01 0.27 0.86 0.00 0.00 0.00 175.10 176.17 1ya4 s TRP 138 N 1.96 3.25 -0.62 5.22 -0.11 0.76 -1.62 118.94 127.78 1ya4 s TRP 138 Ca 0.11 0.26 -0.13 0.00 1.22 0.00 0.00 56.10 57.57 1ya4 s TRP 138 Cb -0.16 -2.45 0.16 0.00 -1.50 0.00 0.00 33.47 29.51 1ya4 s TRP 138 CO 0.11 -0.16 0.54 0.42 -4.62 0.00 0.00 176.95 173.24 1ya4 s ILE 139 N 1.79 4.98 1.04 5.86 1.01 -0.96 -2.48 121.20 132.43 1ya4 s ILE 139 Ca 0.11 -1.96 -0.16 0.00 0.00 0.00 0.00 60.65 58.64 1ya4 s ILE 139 Cb -0.16 -4.18 0.08 0.00 0.01 0.00 0.00 42.46 38.21 1ya4 s ILE 139 CO 0.10 -0.90 0.23 0.00 0.00 0.00 0.00 174.94 174.38 1ya4 n HIS 140 N 4.66 -1.42 -3.75 3.97 1.44 -1.26 -3.60 115.22 115.25 1ya4 n HIS 140 Ca -0.03 0.18 -0.04 0.00 -2.01 0.00 0.00 57.72 55.82 1ya4 n HIS 140 Cb 0.42 -1.68 -0.00 0.00 0.12 0.00 0.00 29.99 28.85 1ya4 n HIS 140 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1ya4 n GLY 141 N 1.73 3.40 0.00 -1.39 0.00 -1.23 -3.55 105.19 104.15 1ya4 n GLY 141 Ca 0.04 -2.20 0.00 0.00 0.00 0.00 0.00 46.02 43.85 1ya4 n GLY 141 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ya4 n GLY 142 N 4.10 0.16 1.96 -0.02 0.00 -1.24 -4.34 105.19 105.80 1ya4 n GLY 142 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.92 1ya4 n GLY 142 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ya4 n GLY 143 N 0.00 0.80 3.45 -0.02 0.00 -1.26 -0.55 105.19 107.61 1ya4 n GLY 143 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ya4 n GLY 143 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ya4 n LEU 144 N -1.34 0.51 -0.08 0.99 4.77 -1.26 -4.74 117.00 115.84 1ya4 n LEU 144 Ca -0.08 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.81 1ya4 n LEU 144 Cb 0.33 -0.81 -0.13 0.00 -2.33 0.00 0.00 43.42 40.48 1ya4 n LEU 144 CO 0.13 -0.27 -1.06 0.23 -1.33 0.00 0.00 177.39 175.09 1ya4 n MET 145 N -1.94 1.21 -4.10 3.23 2.81 0.29 -0.09 117.12 118.54 1ya4 n MET 145 Ca 0.00 0.00 -0.11 0.00 -1.81 0.00 0.00 57.70 55.78 1ya4 n MET 145 Cb 0.02 -1.43 -0.08 0.00 -0.71 0.00 0.00 33.22 31.01 1ya4 n MET 145 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1ya4 s VAL 146 N -2.41 0.01 0.00 2.03 -7.23 -0.10 -4.18 120.40 108.53 1ya4 s VAL 146 Ca -0.10 -1.72 0.00 0.00 -1.81 0.00 0.00 61.98 58.35 1ya4 s VAL 146 Cb 0.05 -2.30 0.00 0.00 0.56 0.00 0.00 36.38 34.70 1ya4 s VAL 146 CO 0.67 -0.06 0.00 0.61 -0.31 0.00 0.00 175.10 176.01 1ya4 n GLY 147 N -0.29 2.47 3.55 2.32 0.00 -1.26 -3.73 105.19 108.25 1ya4 n GLY 147 Ca -0.01 -2.00 -0.13 0.00 0.00 0.00 0.00 46.02 43.88 1ya4 n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ya4 s ALA 148 N -1.80 -1.87 0.18 4.61 0.00 -1.26 -4.62 121.76 117.00 1ya4 s ALA 148 Ca 0.00 1.46 0.03 0.00 0.00 0.00 0.00 51.96 53.45 1ya4 s ALA 148 Cb 0.00 -0.40 0.07 0.00 0.00 0.00 0.00 23.12 22.78 1ya4 s ALA 148 CO 0.00 -0.35 1.43 0.00 0.00 0.00 0.00 175.76 176.84 1ya4 h ALA 149 N 2.70 0.61 0.00 0.00 0.00 -1.91 -3.19 119.26 117.47 1ya4 h ALA 149 Ca -0.22 -0.67 -0.01 0.00 0.00 0.00 0.00 54.91 54.02 1ya4 h ALA 149 Cb 1.16 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 1ya4 h ALA 149 CO 0.34 0.85 -0.03 0.77 0.00 0.00 0.00 179.25 181.19 1ya4 h SER 150 N 0.14 0.00 -0.78 0.00 0.02 -1.92 -2.62 113.55 108.39 1ya4 h SER 150 Ca -0.03 0.00 0.08 0.00 -0.84 0.00 0.00 61.79 61.00 1ya4 h SER 150 Cb 1.38 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.86 1ya4 h SER 150 CO 0.12 0.03 0.45 0.74 -1.14 0.00 0.00 176.83 177.02 1ya4 h THR 151 N 0.00 0.94 -3.53 -2.27 2.02 -1.93 -3.40 112.91 104.74 1ya4 h THR 151 Ca -0.00 -0.27 -0.62 0.00 0.77 0.00 0.00 66.41 66.29 1ya4 h THR 151 Cb 0.13 0.09 -0.12 0.00 -1.74 0.00 0.00 68.15 66.51 1ya4 h THR 151 CO 0.00 0.14 0.12 -0.31 0.37 0.00 0.00 175.52 175.85 1ya4 s TYR 152 N -6.05 3.23 -0.10 3.16 1.51 -0.99 -4.03 117.35 114.08 1ya4 s TYR 152 Ca -0.13 0.60 -0.18 0.00 -1.01 0.00 0.00 57.07 56.35 1ya4 s TYR 152 Cb 0.18 -2.93 -0.04 0.00 -0.11 0.00 0.00 41.96 39.05 1ya4 s TYR 152 CO 0.78 -0.43 0.50 0.34 -1.11 0.00 0.00 175.55 175.62 1ya4 s ASP 153 N 1.61 6.73 0.00 2.29 3.68 -1.26 -4.97 116.67 124.75 1ya4 s ASP 153 Ca 0.25 0.87 0.23 0.00 2.13 0.00 0.00 52.55 56.03 1ya4 s ASP 153 Cb -0.15 -2.30 0.14 0.00 -1.45 0.00 0.00 42.92 39.16 1ya4 s ASP 153 CO 0.11 0.02 1.19 0.61 0.13 0.00 0.00 175.17 177.22 1ya4 n GLY 154 N 3.13 0.09 0.20 2.66 0.00 -1.26 -4.61 105.19 105.41 1ya4 n GLY 154 Ca -0.07 -0.62 -0.06 0.00 0.00 0.00 0.00 46.02 45.28 1ya4 n GLY 154 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1ya4 h LEU 155 N 2.61 -0.99 0.00 0.99 5.85 -1.93 0.92 115.31 122.76 1ya4 h LEU 155 Ca 0.00 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.87 1ya4 h LEU 155 Cb 0.76 0.43 0.00 0.00 0.37 0.00 0.00 40.66 42.22 1ya4 h LEU 155 CO 0.00 -0.13 0.00 0.00 -0.34 0.00 0.00 178.44 177.97 1ya4 n ALA 156 N -3.06 -0.19 -0.29 1.25 0.00 -1.26 -0.32 120.51 116.63 1ya4 n ALA 156 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1ya4 n ALA 156 Cb 0.13 0.23 0.07 0.00 0.00 0.00 0.00 19.45 19.88 1ya4 n ALA 156 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1ya4 h LEU 157 N 0.00 -1.00 -0.49 0.00 5.85 -1.78 0.40 115.31 118.29 1ya4 h LEU 157 Ca 0.00 0.26 0.08 0.00 0.84 0.00 0.00 57.88 59.06 1ya4 h LEU 157 Cb 0.00 0.58 -0.06 0.00 0.37 0.00 0.00 40.66 41.55 1ya4 h LEU 157 CO 0.00 -0.29 0.13 0.00 -0.34 0.00 0.00 178.44 177.95 1ya4 h ALA 158 N 1.56 0.58 0.50 1.25 0.00 -0.52 -1.49 119.26 121.14 1ya4 h ALA 158 Ca 0.35 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.33 1ya4 h ALA 158 Cb 0.60 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1ya4 h ALA 158 CO -0.85 -0.27 -0.24 0.00 0.00 0.00 0.00 179.25 177.89 1ya4 h ALA 159 N 1.36 -0.67 -0.93 0.00 0.00 0.27 -2.09 119.26 117.19 1ya4 h ALA 159 Ca 0.24 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1ya4 h ALA 159 Cb 0.30 0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 1ya4 h ALA 159 CO -0.29 -0.72 0.60 0.45 0.00 0.00 0.00 179.25 179.30 1ya4 h HIS 160 N -0.99 1.19 -0.01 0.00 -0.00 -0.47 -3.26 115.15 111.61 1ya4 h HIS 160 Ca -0.07 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.32 1ya4 h HIS 160 Cb 0.60 -0.40 0.00 0.00 -0.00 0.00 0.00 27.41 27.62 1ya4 h HIS 160 CO 0.01 0.76 -0.04 0.39 -0.00 0.00 0.00 177.93 179.05 1ya4 n GLU 161 N -4.38 0.88 -3.26 2.45 -0.58 -0.57 -5.01 120.64 110.16 1ya4 n GLU 161 Ca 0.11 -1.11 -0.13 0.00 -0.42 0.00 0.00 57.16 55.61 1ya4 n GLU 161 Cb 0.03 -1.21 0.04 0.00 -0.57 0.00 0.00 31.44 29.73 1ya4 n GLU 161 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1ya4 n ASN 162 N 0.52 -6.80 -3.93 1.62 2.85 -0.79 -5.02 115.26 103.71 1ya4 n ASN 162 Ca 0.07 -0.56 -0.11 0.00 -0.11 0.00 0.00 54.58 53.87 1ya4 n ASN 162 Cb 0.29 -4.90 -0.13 0.00 1.24 0.00 0.00 39.78 36.28 1ya4 n ASN 162 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 1ya4 s VAL 163 N -3.26 0.07 -0.18 3.44 -7.23 -1.20 -4.58 120.40 107.45 1ya4 s VAL 163 Ca 0.30 -0.46 -0.29 0.00 -1.81 0.00 0.00 61.98 59.72 1ya4 s VAL 163 Cb -0.05 -0.14 -0.00 0.00 0.56 0.00 0.00 36.38 36.74 1ya4 s VAL 163 CO 0.76 -0.24 1.04 -0.69 -0.31 0.00 0.00 175.10 175.66 1ya4 s VAL 164 N -0.72 4.69 -0.23 1.32 1.01 -0.67 -4.22 120.40 121.58 1ya4 s VAL 164 Ca -0.08 2.01 -0.09 0.00 0.00 0.00 0.00 61.98 63.82 1ya4 s VAL 164 Cb -0.05 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.00 1ya4 s VAL 164 CO -0.00 -0.10 0.11 -0.69 0.00 0.00 0.00 175.10 174.41 1ya4 s VAL 165 N 2.73 4.82 -0.14 2.92 1.01 -0.20 -0.51 120.40 131.03 1ya4 s VAL 165 Ca 0.46 -0.01 0.02 0.00 0.00 0.00 0.00 61.98 62.46 1ya4 s VAL 165 Cb -0.17 -3.24 0.01 0.00 0.00 0.00 0.00 36.38 32.98 1ya4 s VAL 165 CO 0.11 0.36 -0.21 -0.69 0.00 0.00 0.00 175.10 174.67 1ya4 s VAL 166 N 1.19 2.13 -0.24 2.92 1.01 0.27 -0.00 120.40 127.67 1ya4 s VAL 166 Ca 0.06 -0.96 -0.06 0.00 0.00 0.00 0.00 61.98 61.01 1ya4 s VAL 166 Cb -0.14 -1.85 -0.02 0.00 0.00 0.00 0.00 36.38 34.36 1ya4 s VAL 166 CO 0.04 0.55 0.03 0.42 0.00 0.00 0.00 175.10 176.14 1ya4 s THR 167 N 0.77 4.00 0.19 3.92 -4.23 0.55 -0.17 115.64 120.68 1ya4 s THR 167 Ca -0.08 -0.28 0.06 0.00 -1.18 0.00 0.00 61.69 60.21 1ya4 s THR 167 Cb -0.16 -2.86 -0.04 0.00 1.34 0.00 0.00 72.50 70.78 1ya4 s THR 167 CO -0.01 0.36 0.14 0.27 -0.54 0.00 0.00 174.62 174.85 1ya4 s ILE 168 N 1.57 4.41 0.25 2.99 -4.36 -1.04 -0.49 121.20 124.54 1ya4 s ILE 168 Ca 0.06 -1.21 0.12 0.00 -0.26 0.00 0.00 60.65 59.36 1ya4 s ILE 168 Cb -0.15 -3.29 -0.05 0.00 1.25 0.00 0.00 42.46 40.22 1ya4 s ILE 168 CO 0.01 -0.18 -0.20 -1.10 0.24 0.00 0.00 174.94 173.71 1ya4 s GLN 169 N -3.31 1.66 -0.02 0.37 -0.21 -1.02 -4.36 119.66 112.76 1ya4 s GLN 169 Ca 0.31 -1.67 -0.23 0.00 0.02 0.00 0.00 55.36 53.79 1ya4 s GLN 169 Cb -0.09 -1.82 0.05 0.00 1.00 0.00 0.00 33.01 32.15 1ya4 s GLN 169 CO 0.23 0.36 0.50 1.52 -2.12 0.00 0.00 175.29 175.78 1ya4 s TYR 170 N -2.22 -0.42 0.22 0.91 1.13 -1.26 -4.64 117.35 111.07 1ya4 s TYR 170 Ca 0.27 0.68 -0.32 0.00 -1.41 0.00 0.00 57.07 56.29 1ya4 s TYR 170 Cb -0.06 0.26 -0.14 0.00 -1.10 0.00 0.00 41.96 40.93 1ya4 s TYR 170 CO 0.14 -0.52 1.41 0.54 -2.51 0.00 0.00 175.55 174.61 1ya4 n ARG 171 N 1.01 1.97 -4.40 -3.49 1.74 -1.26 -4.85 116.66 107.37 1ya4 n ARG 171 Ca -0.20 0.70 -0.27 0.00 -0.77 0.00 0.00 57.85 57.31 1ya4 n ARG 171 Cb 0.57 -2.36 -0.08 0.00 -1.02 0.00 0.00 32.46 29.56 1ya4 n ARG 171 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1ya4 s LEU 172 N 0.26 2.88 0.00 0.55 1.43 -1.26 -4.10 118.68 118.44 1ya4 s LEU 172 Ca 0.70 -1.29 0.00 0.00 -1.03 0.00 0.00 54.13 52.52 1ya4 s LEU 172 Cb -0.68 -1.11 0.00 0.00 0.03 0.00 0.00 46.19 44.43 1ya4 s LEU 172 CO 0.48 -0.58 0.00 0.61 0.23 0.00 0.00 176.35 177.09 1ya4 n GLY 173 N -1.17 1.72 0.19 -3.19 0.00 0.87 -1.64 105.19 101.97 1ya4 n GLY 173 Ca -0.05 -0.38 -0.03 0.00 0.00 0.00 0.00 46.02 45.56 1ya4 n GLY 173 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1ya4 h ILE 174 N 0.00 0.70 -0.98 -0.61 2.04 -1.91 -0.81 117.51 115.94 1ya4 h ILE 174 Ca 0.00 -0.06 0.15 0.00 1.00 0.00 0.00 64.86 65.95 1ya4 h ILE 174 Cb 0.00 0.50 -0.09 0.00 -0.74 0.00 0.00 36.82 36.49 1ya4 h ILE 174 CO 0.00 0.03 0.61 -0.50 0.00 0.00 0.00 178.15 178.30 1ya4 h TRP 175 N 0.18 1.02 -0.01 1.37 6.55 -1.85 -2.02 115.95 121.19 1ya4 h TRP 175 Ca 0.24 0.03 0.00 0.00 0.95 0.00 0.00 58.89 60.11 1ya4 h TRP 175 Cb 0.33 -0.32 0.00 0.00 -0.86 0.00 0.00 29.16 28.31 1ya4 h TRP 175 CO -0.25 0.34 -0.40 0.41 -1.05 0.00 0.00 178.44 177.49 1ya4 n GLY 176 N -1.37 -0.06 0.00 1.49 0.00 -0.65 -4.46 105.19 100.14 1ya4 n GLY 176 Ca 0.20 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1ya4 n GLY 176 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ya4 n PHE 177 N -0.18 0.00 -1.83 1.61 3.72 -0.37 0.23 117.46 120.64 1ya4 n PHE 177 Ca 0.07 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.05 1ya4 n PHE 177 Cb 0.36 0.02 -0.03 0.00 -0.94 0.00 0.00 39.48 38.89 1ya4 n PHE 177 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 176.76 176.83 1ya4 s PHE 178 N 0.00 2.03 -0.04 1.38 2.19 -0.77 -4.54 117.98 118.23 1ya4 s PHE 178 Ca 0.00 0.04 0.02 0.00 0.33 0.00 0.00 56.93 57.32 1ya4 s PHE 178 Cb 0.00 -4.07 0.01 0.00 -1.31 0.00 0.00 43.02 37.65 1ya4 s PHE 178 CO 0.00 -4.49 -0.10 0.45 1.83 0.00 0.00 175.22 172.91 1ya4 s SER 179 N 3.08 1.35 0.00 6.13 0.15 -1.26 -4.14 113.70 119.02 1ya4 s SER 179 Ca 0.79 -0.21 0.24 0.00 0.70 0.00 0.00 55.95 57.47 1ya4 s SER 179 Cb -0.41 -0.46 0.35 0.00 -1.71 0.00 0.00 66.02 63.79 1ya4 s SER 179 CO 0.35 0.05 1.32 0.35 1.20 0.00 0.00 173.24 176.51 1ya4 n THR 180 N 3.49 0.00 0.00 6.45 -2.24 0.09 -4.44 114.28 117.63 1ya4 n THR 180 Ca -0.20 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 1ya4 n THR 180 Cb 0.53 0.98 0.00 0.00 -2.10 0.00 0.00 70.33 69.74 1ya4 n THR 180 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ya4 n GLY 181 N 1.36 2.25 2.33 3.38 0.00 -1.25 -4.34 105.19 108.91 1ya4 n GLY 181 Ca 0.12 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.95 1ya4 n GLY 181 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ya4 n ASP 182 N 0.00 1.81 0.13 1.61 3.85 -1.26 -4.99 116.55 117.70 1ya4 n ASP 182 Ca 0.00 -2.47 0.10 0.00 -0.71 0.00 0.00 54.79 51.70 1ya4 n ASP 182 Cb 0.00 0.53 0.49 0.00 -1.35 0.00 0.00 41.12 40.78 1ya4 n ASP 182 CO 0.00 0.00 0.00 -1.84 -1.01 0.00 0.00 177.20 174.35 1ya4 n GLU 183 N -0.70 0.12 0.08 0.11 0.00 -1.26 -2.17 120.64 116.83 1ya4 n GLU 183 Ca -0.08 0.58 0.12 0.00 0.00 0.00 0.00 57.16 57.78 1ya4 n GLU 183 Cb 0.42 -1.87 0.45 0.00 0.00 0.00 0.00 31.44 30.44 1ya4 n GLU 183 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1ya4 n HIS 184 N -2.13 0.60 0.00 -1.84 8.25 -1.26 -4.41 115.22 114.43 1ya4 n HIS 184 Ca -0.01 0.21 0.00 0.00 -0.26 0.00 0.00 57.72 57.66 1ya4 n HIS 184 Cb 0.06 -0.84 0.00 0.00 1.12 0.00 0.00 29.99 30.33 1ya4 n HIS 184 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1ya4 n SER 185 N -2.02 0.00 0.02 0.41 2.88 -0.92 -4.91 113.62 109.08 1ya4 n SER 185 Ca 0.04 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.48 1ya4 n SER 185 Cb 0.29 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.71 1ya4 n SER 185 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1ya4 h ARG 186 N 0.00 -0.33 0.00 -1.46 3.08 -1.67 0.29 114.38 114.28 1ya4 h ARG 186 Ca 0.00 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1ya4 h ARG 186 Cb 0.00 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.13 1ya4 h ARG 186 CO 0.00 -0.22 0.00 0.41 -1.07 0.00 0.00 179.97 179.09 1ya4 n GLY 187 N -1.37 -0.36 2.28 0.04 0.00 -1.26 -4.50 105.19 100.02 1ya4 n GLY 187 Ca -0.04 -2.27 -0.11 0.00 0.00 0.00 0.00 46.02 43.60 1ya4 n GLY 187 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ya4 n ASN 188 N 0.00 -4.06 -0.23 1.61 3.02 -1.26 -4.89 115.26 109.45 1ya4 n ASN 188 Ca 0.00 0.15 0.03 0.00 -0.03 0.00 0.00 54.58 54.74 1ya4 n ASN 188 Cb 0.00 -2.88 0.15 0.00 -0.61 0.00 0.00 39.78 36.44 1ya4 n ASN 188 CO 0.00 0.00 0.00 -0.50 -2.62 0.00 0.00 177.26 174.14 1ya4 h TRP 189 N 0.00 0.22 -0.20 3.10 4.06 -1.56 -0.34 115.95 121.24 1ya4 h TRP 189 Ca -0.25 0.04 0.05 0.00 2.06 0.00 0.00 58.89 60.79 1ya4 h TRP 189 Cb 0.94 0.01 -0.05 0.00 -1.00 0.00 0.00 29.16 29.06 1ya4 h TRP 189 CO 0.31 -0.07 -0.12 0.78 -3.56 0.00 0.00 178.44 175.77 1ya4 h GLY 190 N 0.25 0.03 1.30 1.49 0.00 -0.37 0.12 103.07 105.89 1ya4 h GLY 190 Ca 0.37 0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.83 1ya4 h GLY 190 CO -0.48 -0.14 0.30 0.45 0.00 0.00 0.00 176.54 176.67 1ya4 h HIS 191 N -0.11 0.90 -0.76 5.60 3.86 -1.51 -0.17 115.15 122.95 1ya4 h HIS 191 Ca 0.11 -0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.25 1ya4 h HIS 191 Cb 0.28 -0.28 -0.03 0.00 1.06 0.00 0.00 27.41 28.44 1ya4 h HIS 191 CO -0.28 0.66 0.32 -0.07 0.86 0.00 0.00 177.93 179.43 1ya4 h LEU 192 N 0.90 1.04 -0.93 2.43 3.38 -0.32 0.16 115.31 121.97 1ya4 h LEU 192 Ca 0.22 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 58.05 1ya4 h LEU 192 Cb 0.11 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.54 1ya4 h LEU 192 CO -0.03 0.92 0.61 0.44 0.09 0.00 0.00 178.44 180.47 1ya4 h ASP 193 N 1.10 1.04 0.98 -0.43 3.32 0.30 0.34 116.42 123.07 1ya4 h ASP 193 Ca 0.26 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.24 1ya4 h ASP 193 Cb 0.19 -0.25 0.01 0.00 0.22 0.00 0.00 39.33 39.50 1ya4 h ASP 193 CO -0.02 0.73 -0.47 1.56 -1.72 0.00 0.00 179.24 179.31 1ya4 h GLN 194 N 1.21 -1.27 -1.00 3.56 4.20 -0.11 -1.45 115.11 120.24 1ya4 h GLN 194 Ca 0.36 0.09 0.21 0.00 0.06 0.00 0.00 58.65 59.37 1ya4 h GLN 194 Cb -0.07 0.29 -0.11 0.00 0.30 0.00 0.00 27.48 27.89 1ya4 h GLN 194 CO -0.10 -0.85 0.61 0.28 -0.67 0.00 0.00 178.83 178.10 1ya4 h VAL 195 N -1.32 0.64 0.09 -0.54 2.07 -0.24 0.52 116.25 117.46 1ya4 h VAL 195 Ca -0.14 -0.24 0.02 0.00 0.82 0.00 0.00 66.70 67.17 1ya4 h VAL 195 Cb 1.01 -0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 1ya4 h VAL 195 CO 0.22 0.13 -0.23 0.00 0.02 0.00 0.00 177.57 177.70 1ya4 h ALA 196 N 1.68 -0.38 -0.74 1.67 0.00 0.09 -2.10 119.26 119.49 1ya4 h ALA 196 Ca 0.61 -0.03 0.13 0.00 0.00 0.00 0.00 54.91 55.62 1ya4 h ALA 196 Cb 1.03 0.38 -0.05 0.00 0.00 0.00 0.00 17.79 19.16 1ya4 h ALA 196 CO -0.42 -0.76 0.49 0.00 0.00 0.00 0.00 179.25 178.56 1ya4 h ALA 197 N 0.37 2.00 -0.14 0.00 0.00 0.17 0.04 119.26 121.70 1ya4 h ALA 197 Ca 0.04 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 1ya4 h ALA 197 Cb 0.45 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1ya4 h ALA 197 CO -0.15 -0.19 -0.47 -0.07 0.00 0.00 0.00 179.25 178.37 1ya4 h LEU 198 N 0.49 0.39 -0.78 0.00 3.38 -0.93 -1.48 115.31 116.38 1ya4 h LEU 198 Ca 0.36 -0.18 -0.11 0.00 0.09 0.00 0.00 57.88 58.03 1ya4 h LEU 198 Cb 0.70 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1ya4 h LEU 198 CO -0.12 0.80 -0.31 0.03 0.09 0.00 0.00 178.44 178.93 1ya4 h ARG 199 N 0.29 0.57 -0.72 1.13 3.08 -0.38 -1.71 114.38 116.64 1ya4 h ARG 199 Ca 0.02 -0.25 -0.05 0.00 0.07 0.00 0.00 59.98 59.77 1ya4 h ARG 199 Cb 0.94 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.94 1ya4 h ARG 199 CO 0.08 0.81 0.26 2.35 -1.07 0.00 0.00 179.97 182.40 1ya4 h TRP 200 N 0.49 1.11 0.06 3.04 7.01 -0.78 -2.23 115.95 124.65 1ya4 h TRP 200 Ca 0.06 -0.09 -0.00 0.00 2.11 0.00 0.00 58.89 60.97 1ya4 h TRP 200 Cb 0.78 -0.33 0.00 0.00 -2.10 0.00 0.00 29.16 27.51 1ya4 h TRP 200 CO 0.03 0.86 -0.03 0.28 -2.79 0.00 0.00 178.44 176.79 1ya4 h VAL 201 N 1.05 0.95 -0.74 2.65 2.07 -0.76 -1.76 116.25 119.72 1ya4 h VAL 201 Ca 0.24 -0.03 0.10 0.00 0.82 0.00 0.00 66.70 67.83 1ya4 h VAL 201 Cb 0.24 0.97 -0.08 0.00 -1.52 0.00 0.00 31.29 30.91 1ya4 h VAL 201 CO -0.02 0.01 0.37 1.56 0.02 0.00 0.00 177.57 179.51 1ya4 h GLN 202 N -0.09 0.59 -0.22 1.57 1.08 -1.05 -1.06 115.11 115.92 1ya4 h GLN 202 Ca -0.01 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 1ya4 h GLN 202 Cb 0.07 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.37 1ya4 h GLN 202 CO 0.01 0.39 0.00 -0.25 -0.95 0.00 0.00 178.83 178.03 1ya4 n ASP 203 N -4.87 1.61 0.00 1.46 8.00 -0.86 -4.62 116.55 117.26 1ya4 n ASP 203 Ca 0.12 -1.80 0.00 0.00 0.71 0.00 0.00 54.79 53.82 1ya4 n ASP 203 Cb 0.30 -0.14 0.00 0.00 -0.02 0.00 0.00 41.12 41.26 1ya4 n ASP 203 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1ya4 n ASN 204 N 0.31 0.00 -0.55 -2.24 3.02 -0.68 -4.67 115.26 110.46 1ya4 n ASN 204 Ca 0.14 0.00 0.45 0.00 -0.03 0.00 0.00 54.58 55.14 1ya4 n ASN 204 Cb 0.30 0.00 0.77 0.00 -0.61 0.00 0.00 39.78 40.24 1ya4 n ASN 204 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1ya4 h ILE 205 N 0.00 0.15 -0.54 2.41 6.09 -1.38 0.29 117.51 124.54 1ya4 h ILE 205 Ca 0.00 -0.01 0.12 0.00 -1.37 0.00 0.00 64.86 63.61 1ya4 h ILE 205 Cb 0.00 0.13 -0.03 0.00 0.47 0.00 0.00 36.82 37.39 1ya4 h ILE 205 CO 0.00 0.00 0.38 0.00 -3.07 0.00 0.00 178.15 175.46 1ya4 h ALA 206 N 1.23 2.26 0.00 0.18 0.00 -1.79 0.12 119.26 121.26 1ya4 h ALA 206 Ca 0.80 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.70 1ya4 h ALA 206 Cb 3.11 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 20.89 1ya4 h ALA 206 CO -0.07 -0.41 0.00 0.43 0.00 0.00 0.00 179.25 179.20 1ya4 n SER 207 N -4.43 0.00 -0.83 0.00 7.64 0.10 -2.51 113.62 113.60 1ya4 n SER 207 Ca 0.09 -1.04 0.05 0.00 1.01 0.00 0.00 58.87 58.99 1ya4 n SER 207 Cb 0.49 0.00 0.17 0.00 -1.01 0.00 0.00 64.21 63.85 1ya4 n SER 207 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1ya4 n PHE 208 N -0.87 0.07 -2.81 1.43 3.01 0.40 -4.69 117.46 114.00 1ya4 n PHE 208 Ca 0.15 -1.32 -0.19 0.00 1.01 0.00 0.00 57.45 57.10 1ya4 n PHE 208 Cb 0.07 -0.23 0.02 0.00 -0.01 0.00 0.00 39.48 39.33 1ya4 n PHE 208 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ya4 n GLY 209 N -0.78 -0.37 3.34 1.37 0.00 -1.04 -4.75 105.19 102.96 1ya4 n GLY 209 Ca 0.17 -0.01 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 1ya4 n GLY 209 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ya4 s GLY 210 N -2.64 1.42 -0.67 -0.02 0.00 -1.10 -1.57 107.32 102.74 1ya4 s GLY 210 Ca 0.22 -1.35 -0.22 0.00 0.00 0.00 0.00 44.72 43.37 1ya4 s GLY 210 CO 0.27 -1.32 0.96 0.21 0.00 0.00 0.00 173.10 173.22 1ya4 s ASN 211 N -1.84 6.20 0.00 1.64 2.47 0.88 -3.49 114.94 120.81 1ya4 s ASN 211 Ca 0.11 -1.09 0.00 0.00 0.42 0.00 0.00 52.86 52.30 1ya4 s ASN 211 Cb -0.10 -2.41 0.00 0.00 -1.45 0.00 0.00 41.25 37.29 1ya4 s ASN 211 CO 0.05 -1.40 0.90 -0.81 -3.72 0.00 0.00 177.10 172.12 1ya4 n PRO 212 N 7.55 0.00 0.00 0.43 -0.04 -1.26 0.32 135.00 142.00 1ya4 n PRO 212 Ca -0.02 0.40 0.12 0.00 -0.04 0.00 0.00 63.50 63.96 1ya4 n PRO 212 Cb 0.45 -1.60 0.28 0.00 -0.04 0.00 0.00 33.50 32.59 1ya4 n PRO 212 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ya4 n GLY 213 N -1.40 -0.78 2.31 0.55 0.00 -1.26 -4.43 105.19 100.18 1ya4 n GLY 213 Ca 0.00 -0.42 -0.24 0.00 0.00 0.00 0.00 46.02 45.36 1ya4 n GLY 213 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ya4 n SER 214 N -0.91 1.48 -4.83 1.61 2.88 0.15 -4.90 113.62 109.10 1ya4 n SER 214 Ca 0.09 -3.01 -0.37 0.00 -1.33 0.00 0.00 58.87 54.26 1ya4 n SER 214 Cb 0.35 -0.64 -0.06 0.00 -0.75 0.00 0.00 64.21 63.11 1ya4 n SER 214 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1ya4 s VAL 215 N -1.99 5.35 -0.11 2.46 1.01 -1.26 -1.79 120.40 124.08 1ya4 s VAL 215 Ca 0.38 0.41 0.01 0.00 0.00 0.00 0.00 61.98 62.78 1ya4 s VAL 215 Cb 0.21 -3.52 0.02 0.00 0.00 0.00 0.00 36.38 33.09 1ya4 s VAL 215 CO -0.08 0.56 -0.11 -0.89 0.00 0.00 0.00 175.10 174.57 1ya4 s THR 216 N -0.67 1.23 -0.05 3.92 2.01 0.22 0.84 115.64 123.13 1ya4 s THR 216 Ca 0.17 -0.45 -0.04 0.00 0.31 0.00 0.00 61.69 61.68 1ya4 s THR 216 Cb -0.13 -1.18 -0.04 0.00 0.01 0.00 0.00 72.50 71.16 1ya4 s THR 216 CO 0.06 0.40 0.14 0.27 -0.69 0.00 0.00 174.62 174.79 1ya4 s ILE 217 N 1.34 5.24 -0.18 1.82 -4.36 -0.42 -0.82 121.20 123.82 1ya4 s ILE 217 Ca -0.01 -0.09 -0.13 0.00 -0.26 0.00 0.00 60.65 60.16 1ya4 s ILE 217 Cb -0.14 -3.37 0.06 0.00 1.25 0.00 0.00 42.46 40.26 1ya4 s ILE 217 CO -0.05 0.45 0.46 0.72 0.24 0.00 0.00 174.94 176.76 1ya4 s PHE 218 N -1.17 -0.61 0.13 1.37 -0.71 -0.64 -0.99 117.98 115.36 1ya4 s PHE 218 Ca 0.21 1.36 -0.04 0.00 -1.04 0.00 0.00 56.93 57.42 1ya4 s PHE 218 Cb -0.12 0.26 -0.03 0.00 -1.21 0.00 0.00 43.02 41.93 1ya4 s PHE 218 CO 0.12 -0.32 0.13 0.20 -1.34 0.00 0.00 175.22 174.00 1ya4 s GLY 219 N 0.93 0.69 -0.07 1.99 0.00 -0.78 -2.27 107.32 107.81 1ya4 s GLY 219 Ca -0.06 -1.18 0.04 0.00 0.00 0.00 0.00 44.72 43.52 1ya4 s GLY 219 CO -0.08 -1.15 -0.21 1.85 0.00 0.00 0.00 173.10 173.52 1ya4 s GLU 220 N -3.99 2.70 8.00 2.90 -6.30 -1.24 -1.12 118.70 119.66 1ya4 s GLU 220 Ca 0.18 -0.82 0.00 0.00 -2.50 0.00 0.00 54.97 51.83 1ya4 s GLU 220 Cb 0.06 -2.29 0.00 0.00 0.00 0.00 0.00 34.13 31.90 1ya4 s GLU 220 CO -0.01 0.39 0.00 0.45 0.02 0.00 0.00 175.26 176.11 1ya4 n SER 221 N 2.94 0.00 0.05 -1.70 2.88 0.77 -0.55 113.62 118.01 1ya4 n SER 221 Ca -0.18 0.00 0.20 0.00 -1.33 0.00 0.00 58.87 57.57 1ya4 n SER 221 Cb 0.52 0.00 0.73 0.00 -0.75 0.00 0.00 64.21 64.71 1ya4 n SER 221 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ya4 h ALA 222 N -0.99 2.30 -0.22 -1.46 0.00 -1.88 0.71 119.26 117.72 1ya4 h ALA 222 Ca 0.00 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 1ya4 h ALA 222 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1ya4 h ALA 222 CO 0.00 -0.62 -0.48 0.78 0.00 0.00 0.00 179.25 178.93 1ya4 h GLY 223 N 0.00 0.77 1.09 0.00 0.00 -0.87 -1.69 103.07 102.37 1ya4 h GLY 223 Ca 0.22 -0.93 -0.06 0.00 0.00 0.00 0.00 47.33 46.55 1ya4 h GLY 223 CO -0.00 0.84 0.21 -1.33 0.00 0.00 0.00 176.54 176.25 1ya4 h GLY 224 N 0.41 1.21 1.00 4.60 0.00 0.36 -1.84 103.07 108.82 1ya4 h GLY 224 Ca 0.00 -0.73 -0.03 0.00 0.00 0.00 0.00 47.33 46.57 1ya4 h GLY 224 CO 0.10 0.68 0.29 -2.09 0.00 0.00 0.00 176.54 175.53 1ya4 h GLU 225 N 1.08 0.91 -0.32 4.80 4.22 -0.25 -1.18 114.58 123.84 1ya4 h GLU 225 Ca 0.23 -0.14 0.06 0.00 0.08 0.00 0.00 59.36 59.59 1ya4 h GLU 225 Cb 0.33 -0.16 -0.05 0.00 0.50 0.00 0.00 28.75 29.37 1ya4 h GLU 225 CO -0.00 0.74 -0.02 0.77 -2.18 0.00 0.00 179.01 178.32 1ya4 h SER 226 N 0.87 -0.18 -0.60 1.04 0.02 -0.92 0.19 113.55 113.97 1ya4 h SER 226 Ca 0.21 0.08 0.05 0.00 -0.84 0.00 0.00 61.79 61.29 1ya4 h SER 226 Cb 0.14 0.15 -0.05 0.00 0.14 0.00 0.00 62.40 62.78 1ya4 h SER 226 CO -0.02 -0.05 0.33 0.58 -1.14 0.00 0.00 176.83 176.52 1ya4 h VAL 227 N 0.06 0.98 -0.04 2.27 2.07 -0.86 0.13 116.25 120.86 1ya4 h VAL 227 Ca 0.15 -0.21 -0.05 0.00 0.82 0.00 0.00 66.70 67.41 1ya4 h VAL 227 Cb 0.22 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 1ya4 h VAL 227 CO -0.28 0.11 -0.20 -1.28 0.02 0.00 0.00 177.57 175.95 1ya4 h SER 228 N 0.63 0.06 -0.06 0.57 0.87 0.01 -2.02 113.55 113.60 1ya4 h SER 228 Ca 0.27 -0.01 -0.09 0.00 -1.23 0.00 0.00 61.79 60.72 1ya4 h SER 228 Cb 0.15 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 1ya4 h SER 228 CO -0.16 0.26 -0.33 0.58 -0.53 0.00 0.00 176.83 176.64 1ya4 h VAL 229 N 0.06 1.43 -0.91 2.23 2.07 0.60 -3.08 116.25 118.65 1ya4 h VAL 229 Ca 0.01 -1.77 0.06 0.00 0.82 0.00 0.00 66.70 65.82 1ya4 h VAL 229 Cb 0.39 2.38 -0.06 0.00 -1.52 0.00 0.00 31.29 32.48 1ya4 h VAL 229 CO 0.03 0.51 0.58 -0.07 0.02 0.00 0.00 177.57 178.63 1ya4 h LEU 230 N -0.18 0.92 -1.98 2.57 3.38 -0.57 0.33 115.31 119.78 1ya4 h LEU 230 Ca -0.03 0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.98 1ya4 h LEU 230 Cb 1.00 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.56 1ya4 h LEU 230 CO 0.07 0.60 0.08 0.58 0.09 0.00 0.00 178.44 179.85 1ya4 h VAL 231 N 1.06 0.96 0.00 1.22 2.07 -1.38 -2.08 116.25 118.10 1ya4 h VAL 231 Ca 0.39 -0.01 -0.27 0.00 0.82 0.00 0.00 66.70 67.64 1ya4 h VAL 231 Cb 0.15 0.93 -0.05 0.00 -1.52 0.00 0.00 31.29 30.81 1ya4 h VAL 231 CO -0.17 0.00 -1.54 -0.07 0.02 0.00 0.00 177.57 175.82 1ya4 h LEU 232 N 0.02 0.00 -9.90 2.57 3.38 -0.80 -3.41 115.31 107.17 1ya4 h LEU 232 Ca 0.05 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.51 1ya4 h LEU 232 Cb 0.18 0.00 0.05 0.00 0.09 0.00 0.00 40.66 40.98 1ya4 h LEU 232 CO -0.00 0.99 0.55 -0.55 0.09 0.00 0.00 178.44 179.51 1ya4 s SER 233 N -6.22 6.69 0.15 -0.43 0.15 0.93 -4.94 113.70 110.03 1ya4 s SER 233 Ca -0.03 2.46 -0.05 0.00 0.70 0.00 0.00 55.95 59.03 1ya4 s SER 233 Cb 0.08 -2.63 -0.03 0.00 -1.71 0.00 0.00 66.02 61.74 1ya4 s SER 233 CO 0.82 -0.57 1.37 -0.65 1.20 0.00 0.00 173.24 175.41 1ya4 h PRO 234 N 3.03 0.49 -0.74 5.44 0.11 -1.85 -3.24 132.00 135.24 1ya4 h PRO 234 Ca -0.49 -0.43 -0.03 0.00 0.11 0.00 0.00 66.00 65.16 1ya4 h PRO 234 Cb 1.23 0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.41 1ya4 h PRO 234 CO 0.64 1.07 0.33 -0.07 -0.21 0.00 0.00 178.00 179.75 1ya4 h LEU 235 N 0.32 0.97 -0.29 2.35 3.38 -1.83 -2.72 115.31 117.49 1ya4 h LEU 235 Ca -0.05 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1ya4 h LEU 235 Cb 1.41 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1ya4 h LEU 235 CO 0.14 0.84 0.00 0.00 0.09 0.00 0.00 178.44 179.52 1ya4 n ALA 236 N -2.44 1.73 -1.60 1.53 0.00 -1.22 -4.86 120.51 113.66 1ya4 n ALA 236 Ca 0.07 0.01 -0.53 0.00 0.00 0.00 0.00 53.44 52.99 1ya4 n ALA 236 Cb 0.16 -1.32 -0.06 0.00 0.00 0.00 0.00 19.45 18.22 1ya4 n ALA 236 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1ya4 n LYS 237 N -1.85 1.13 -1.03 0.00 4.81 -1.03 -1.73 118.16 118.46 1ya4 n LYS 237 Ca 0.03 0.41 -0.01 0.00 -0.87 0.00 0.00 58.31 57.87 1ya4 n LYS 237 Cb 0.22 -2.05 -0.00 0.00 0.02 0.00 0.00 35.03 33.21 1ya4 n LYS 237 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1ya4 n ASN 238 N 2.76 -3.88 -0.04 3.14 3.02 -1.26 -4.88 115.26 114.12 1ya4 n ASN 238 Ca 0.19 0.02 0.09 0.00 -0.03 0.00 0.00 54.58 54.86 1ya4 n ASN 238 Cb 0.18 -1.46 -0.10 0.00 -0.61 0.00 0.00 39.78 37.79 1ya4 n ASN 238 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1ya4 n LEU 239 N -0.10 1.01 -3.76 3.41 4.77 -0.71 -4.97 117.00 116.65 1ya4 n LEU 239 Ca -0.01 -0.52 -0.10 0.00 -0.03 0.00 0.00 56.01 55.35 1ya4 n LEU 239 Cb 0.16 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.19 1ya4 n LEU 239 CO 0.01 0.24 0.07 0.72 -1.33 0.00 0.00 177.39 177.10 1ya4 s PHE 240 N -2.81 0.00 0.00 -1.77 -0.71 -1.26 -4.86 117.98 106.57 1ya4 s PHE 240 Ca 0.08 -0.36 0.00 0.00 -1.04 0.00 0.00 56.93 55.61 1ya4 s PHE 240 Cb 0.15 0.13 0.00 0.00 -1.21 0.00 0.00 43.02 42.09 1ya4 s PHE 240 CO 0.78 -0.68 0.26 0.72 -1.34 0.00 0.00 175.22 174.96 1ya4 n HIS 241 N -0.19 0.00 -3.65 3.49 8.25 0.25 -4.92 115.22 118.45 1ya4 n HIS 241 Ca -0.14 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.21 1ya4 n HIS 241 Cb 0.63 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.67 1ya4 n HIS 241 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1ya4 s ARG 242 N -0.27 0.73 0.12 -0.41 0.52 -1.13 -4.26 118.95 114.24 1ya4 s ARG 242 Ca 0.00 1.05 0.10 0.00 -0.52 0.00 0.00 55.73 56.36 1ya4 s ARG 242 Cb 0.00 0.25 -0.04 0.00 0.52 0.00 0.00 34.95 35.68 1ya4 s ARG 242 CO 0.00 -0.12 -0.25 0.00 0.02 0.00 0.00 175.30 174.95 1ya4 s ALA 243 N 0.98 2.20 -0.17 2.13 0.00 -0.31 -1.31 121.76 125.28 1ya4 s ALA 243 Ca -0.05 -1.39 -0.05 0.00 0.00 0.00 0.00 51.96 50.47 1ya4 s ALA 243 Cb -0.05 -0.35 0.07 0.00 0.00 0.00 0.00 23.12 22.79 1ya4 s ALA 243 CO -0.09 0.49 0.14 0.42 0.00 0.00 0.00 175.76 176.71 1ya4 s ILE 244 N -1.07 -0.18 -0.29 0.00 1.01 -0.16 -0.63 121.20 119.88 1ya4 s ILE 244 Ca 0.12 -0.11 -0.09 0.00 0.00 0.00 0.00 60.65 60.56 1ya4 s ILE 244 Cb -0.10 -0.59 -0.02 0.00 0.01 0.00 0.00 42.46 41.77 1ya4 s ILE 244 CO 0.05 -0.23 0.14 -0.44 0.00 0.00 0.00 174.94 174.46 1ya4 s SER 245 N 2.21 5.50 -0.24 3.58 0.01 -0.14 -1.86 113.70 122.76 1ya4 s SER 245 Ca 0.04 -0.39 -0.06 0.00 1.31 0.00 0.00 55.95 56.84 1ya4 s SER 245 Cb -0.16 -2.00 -0.02 0.00 0.21 0.00 0.00 66.02 64.05 1ya4 s SER 245 CO -0.10 -0.14 0.04 -1.61 0.41 0.00 0.00 173.24 171.84 1ya4 s GLU 246 N 1.63 3.59 -1.23 12.44 2.02 -0.27 -1.73 118.70 135.14 1ya4 s GLU 246 Ca 0.05 -0.51 -0.11 0.00 0.02 0.00 0.00 54.97 54.42 1ya4 s GLU 246 Cb -0.16 -3.24 -0.01 0.00 0.10 0.00 0.00 34.13 30.81 1ya4 s GLU 246 CO 0.06 -0.19 0.69 0.43 0.02 0.00 0.00 175.26 176.27 1ya4 n SER 247 N 4.88 -3.26 0.00 -0.19 7.64 -0.91 -0.16 113.62 121.61 1ya4 n SER 247 Ca -0.17 -0.96 0.00 0.00 1.01 0.00 0.00 58.87 58.76 1ya4 n SER 247 Cb 0.51 -3.54 0.00 0.00 -1.01 0.00 0.00 64.21 60.17 1ya4 n SER 247 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ya4 n GLY 248 N -1.71 3.23 3.25 0.23 0.00 -1.26 -2.21 105.19 106.71 1ya4 n GLY 248 Ca -0.19 -0.03 -0.21 0.00 0.00 0.00 0.00 46.02 45.59 1ya4 n GLY 248 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1ya4 n VAL 249 N 0.00 0.00 0.97 1.61 0.24 -1.26 -2.46 118.33 117.43 1ya4 n VAL 249 Ca 0.00 -2.43 0.08 0.00 -2.04 0.00 0.00 64.34 59.96 1ya4 n VAL 249 Cb 0.00 1.14 0.48 0.00 -1.47 0.00 0.00 33.84 33.99 1ya4 n VAL 249 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ya4 n ALA 250 N -0.78 2.06 0.02 2.33 0.00 -1.26 -2.19 120.51 120.68 1ya4 n ALA 250 Ca -0.13 -0.10 0.09 0.00 0.00 0.00 0.00 53.44 53.31 1ya4 n ALA 250 Cb 0.61 -1.28 0.21 0.00 0.00 0.00 0.00 19.45 18.99 1ya4 n ALA 250 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ya4 n LEU 251 N -1.11 3.27 -3.80 0.00 4.77 -1.26 -4.75 117.00 114.13 1ya4 n LEU 251 Ca 0.11 -1.71 -0.42 0.00 -0.03 0.00 0.00 56.01 53.96 1ya4 n LEU 251 Cb 0.09 -0.28 -0.01 0.00 -2.33 0.00 0.00 43.42 40.89 1ya4 n LEU 251 CO 0.11 0.76 2.52 0.41 -1.33 0.00 0.00 177.39 179.85 1ya4 n THR 252 N 1.17 3.20 0.00 -5.08 -1.04 -0.93 -4.87 114.28 106.73 1ya4 n THR 252 Ca 0.17 -2.85 0.00 0.00 -2.04 0.00 0.00 64.05 59.33 1ya4 n THR 252 Cb 0.52 -2.53 0.00 0.00 -1.82 0.00 0.00 70.33 66.50 1ya4 n THR 252 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1ya4 n SER 253 N 6.66 0.00 -0.06 8.00 7.64 -1.26 -0.73 113.62 133.86 1ya4 n SER 253 Ca 0.51 0.00 0.25 0.00 1.01 0.00 0.00 58.87 60.64 1ya4 n SER 253 Cb 0.40 0.00 0.72 0.00 -1.01 0.00 0.00 64.21 64.32 1ya4 n SER 253 CO 0.00 0.00 0.00 1.62 -3.01 0.00 0.00 175.04 173.65 1ya4 h VAL 254 N 0.00 0.48 0.00 0.44 3.04 -1.77 -0.83 116.25 117.61 1ya4 h VAL 254 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1ya4 h VAL 254 Cb 0.00 0.58 0.00 0.00 -2.01 0.00 0.00 31.29 29.86 1ya4 h VAL 254 CO 0.00 0.00 -0.84 0.18 -1.01 0.00 0.00 177.57 175.90 1ya4 n LEU 255 N -4.02 0.63 -4.20 3.16 4.77 0.09 -4.83 117.00 112.59 1ya4 n LEU 255 Ca 0.14 0.04 -0.33 0.00 -0.03 0.00 0.00 56.01 55.82 1ya4 n LEU 255 Cb 0.83 -0.14 -0.16 0.00 -2.33 0.00 0.00 43.42 41.62 1ya4 n LEU 255 CO 0.34 0.03 -0.49 -0.69 -1.33 0.00 0.00 177.39 175.25 1ya4 s VAL 256 N -3.16 2.45 -0.36 4.08 1.01 -0.32 -0.77 120.40 123.34 1ya4 s VAL 256 Ca 0.06 -0.82 -0.18 0.00 0.00 0.00 0.00 61.98 61.03 1ya4 s VAL 256 Cb 0.15 -2.04 0.00 0.00 0.00 0.00 0.00 36.38 34.48 1ya4 s VAL 256 CO 0.77 0.51 0.53 -0.54 0.00 0.00 0.00 175.10 176.37 1ya4 s LYS 257 N 1.12 3.55 -0.13 2.72 -0.14 -0.34 -4.84 119.74 121.68 1ya4 s LYS 257 Ca 0.01 -0.21 -0.01 0.00 -1.36 0.00 0.00 55.97 54.39 1ya4 s LYS 257 Cb -0.14 -3.83 -0.02 0.00 -1.68 0.00 0.00 37.83 32.15 1ya4 s LYS 257 CO -0.06 -0.70 -0.09 -1.59 -0.76 0.00 0.00 175.35 172.14 1ya4 s LYS 258 N 2.44 3.41 0.00 1.68 -2.85 -1.26 -4.44 119.74 118.72 1ya4 s LYS 258 Ca 0.19 -0.62 0.00 0.00 -1.00 0.00 0.00 55.97 54.54 1ya4 s LYS 258 Cb -0.15 -2.72 0.00 0.00 -2.06 0.00 0.00 37.83 32.90 1ya4 s LYS 258 CO 0.14 0.27 0.00 0.41 0.10 0.00 0.00 175.35 176.27 1ya4 n GLY 259 N 3.39 1.36 3.61 0.59 0.00 -1.26 -4.99 105.19 107.89 1ya4 n GLY 259 Ca -0.18 -2.22 -0.43 0.00 0.00 0.00 0.00 46.02 43.19 1ya4 n GLY 259 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ya4 s ASP 260 N 0.00 5.86 0.00 1.61 2.15 -1.26 -4.82 116.67 120.21 1ya4 s ASP 260 Ca 0.00 1.67 0.26 0.00 0.43 0.00 0.00 52.55 54.91 1ya4 s ASP 260 Cb 0.00 -2.52 0.73 0.00 -0.30 0.00 0.00 42.92 40.83 1ya4 s ASP 260 CO 0.00 -1.67 1.58 1.33 -0.17 0.00 0.00 175.17 176.23 1ya4 n VAL 261 N 7.24 0.00 -0.23 1.11 0.24 -1.26 -4.24 118.33 121.19 1ya4 n VAL 261 Ca 0.24 -0.00 0.03 0.00 -2.04 0.00 0.00 64.34 62.58 1ya4 n VAL 261 Cb 0.45 0.02 0.14 0.00 -1.47 0.00 0.00 33.84 32.98 1ya4 n VAL 261 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 1ya4 h LYS 262 N 0.00 0.16 -0.66 7.34 1.63 -1.83 -2.02 116.57 121.20 1ya4 h LYS 262 Ca 0.00 -0.01 0.13 0.00 -0.85 0.00 0.00 60.65 59.92 1ya4 h LYS 262 Cb 0.50 -0.04 -0.09 0.00 -0.60 0.00 0.00 32.23 32.00 1ya4 h LYS 262 CO 0.00 0.11 0.17 -1.35 -3.45 0.00 0.00 179.45 174.92 1ya4 h PRO 263 N 0.17 0.28 -0.42 1.90 0.11 -1.95 -0.15 132.00 131.94 1ya4 h PRO 263 Ca 0.37 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.38 1ya4 h PRO 263 Cb 0.62 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.66 1ya4 h PRO 263 CO -0.54 0.19 -0.06 1.25 -0.21 0.00 0.00 178.00 178.62 1ya4 h LEU 264 N 0.29 0.79 -0.17 2.35 6.46 -1.68 -0.90 115.31 122.46 1ya4 h LEU 264 Ca 0.36 -0.34 0.05 0.00 -0.12 0.00 0.00 57.88 57.82 1ya4 h LEU 264 Cb 0.56 -0.21 -0.05 0.00 -0.73 0.00 0.00 40.66 40.22 1ya4 h LEU 264 CO -0.43 0.94 -0.14 0.00 -0.62 0.00 0.00 178.44 178.19 1ya4 h ALA 265 N 0.87 -0.02 -0.77 1.25 0.00 -0.85 -0.43 119.26 119.31 1ya4 h ALA 265 Ca 0.11 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.12 1ya4 h ALA 265 Cb 0.58 0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 1ya4 h ALA 265 CO 0.03 -0.58 0.50 0.93 0.00 0.00 0.00 179.25 180.14 1ya4 h GLU 266 N -0.15 0.90 0.15 0.00 5.08 -0.81 0.11 114.58 119.86 1ya4 h GLU 266 Ca 0.10 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1ya4 h GLU 266 Cb 0.31 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1ya4 h GLU 266 CO -0.26 0.60 -0.07 1.96 -1.00 0.00 0.00 179.01 180.24 1ya4 h GLN 267 N 0.93 -0.20 -0.19 2.33 4.20 -0.19 -1.41 115.11 120.58 1ya4 h GLN 267 Ca 0.31 0.01 0.04 0.00 0.06 0.00 0.00 58.65 59.07 1ya4 h GLN 267 Cb 0.06 0.04 -0.05 0.00 0.30 0.00 0.00 27.48 27.84 1ya4 h GLN 267 CO -0.09 0.05 -0.09 0.82 -0.67 0.00 0.00 178.83 178.85 1ya4 h ILE 268 N -0.43 0.70 -0.65 2.54 2.04 -0.66 0.56 117.51 121.62 1ya4 h ILE 268 Ca -0.02 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.96 1ya4 h ILE 268 Cb 0.34 0.70 -0.09 0.00 -0.74 0.00 0.00 36.82 37.03 1ya4 h ILE 268 CO 0.03 0.00 0.20 0.00 0.00 0.00 0.00 178.15 178.39 1ya4 h ALA 269 N 1.10 0.83 -0.38 1.87 0.00 -0.69 -0.91 119.26 121.09 1ya4 h ALA 269 Ca 0.11 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 1ya4 h ALA 269 Cb 0.23 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1ya4 h ALA 269 CO -0.24 -0.25 0.08 0.82 0.00 0.00 0.00 179.25 179.66 1ya4 h ILE 270 N 0.35 1.23 -0.38 0.00 2.04 -0.50 0.17 117.51 120.43 1ya4 h ILE 270 Ca 0.34 -0.81 0.00 0.00 1.00 0.00 0.00 64.86 65.39 1ya4 h ILE 270 Cb 0.49 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 1ya4 h ILE 270 CO -0.38 0.28 0.24 0.74 0.00 0.00 0.00 178.15 179.03 1ya4 h THR 271 N 0.47 1.10 -0.00 -0.27 2.02 -0.08 -0.15 112.91 116.00 1ya4 h THR 271 Ca 0.12 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 67.10 1ya4 h THR 271 Cb 0.34 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 67.30 1ya4 h THR 271 CO 0.00 0.10 -0.09 0.00 0.37 0.00 0.00 175.52 175.91 1ya4 n ALA 272 N -2.48 2.65 -1.58 6.16 0.00 -0.42 -4.91 120.51 119.93 1ya4 n ALA 272 Ca 0.03 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1ya4 n ALA 272 Cb 0.07 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.12 1ya4 n ALA 272 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ya4 n GLY 273 N 1.34 0.96 3.54 0.00 0.00 -0.07 -5.07 105.19 105.89 1ya4 n GLY 273 Ca 0.12 -0.43 -0.26 0.00 0.00 0.00 0.00 46.02 45.45 1ya4 n GLY 273 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ya4 s LYS 275 N -2.87 3.28 -0.14 0.00 1.02 -1.26 -4.22 119.74 115.54 1ya4 s LYS 275 Ca 0.25 1.19 0.15 0.00 0.02 0.00 0.00 55.97 57.58 1ya4 s LYS 275 Cb -0.08 -2.03 0.33 0.00 -0.52 0.00 0.00 37.83 35.53 1ya4 s LYS 275 CO 0.14 -0.84 1.17 0.25 -0.92 0.00 0.00 175.35 175.15 1ya4 n THR 276 N -2.11 1.63 -0.27 2.17 -2.24 -1.26 -4.33 114.28 107.87 1ya4 n THR 276 Ca 0.09 -2.32 0.07 0.00 -2.27 0.00 0.00 64.05 59.62 1ya4 n THR 276 Cb 0.53 -0.03 0.20 0.00 -2.10 0.00 0.00 70.33 68.93 1ya4 n THR 276 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1ya4 h THR 277 N 1.89 0.36 -3.80 4.28 2.02 -1.95 -3.45 112.91 112.26 1ya4 h THR 277 Ca -0.03 -0.05 -0.14 0.00 0.77 0.00 0.00 66.41 66.96 1ya4 h THR 277 Cb 1.14 0.19 -0.08 0.00 -1.74 0.00 0.00 68.15 67.65 1ya4 h THR 277 CO 0.01 0.03 -0.13 0.42 0.37 0.00 0.00 175.52 176.22 1ya4 s THR 278 N -6.05 0.00 0.04 3.16 -4.23 -1.26 -5.03 115.64 102.27 1ya4 s THR 278 Ca -0.13 -1.46 -0.32 0.00 -1.18 0.00 0.00 61.69 58.60 1ya4 s THR 278 Cb 0.23 -2.43 -0.18 0.00 1.34 0.00 0.00 72.50 71.46 1ya4 s THR 278 CO 0.76 0.00 1.40 0.28 -0.54 0.00 0.00 174.62 176.52 1ya4 h SER 279 N 2.20 -0.89 -1.12 3.99 0.02 -1.97 -2.36 113.55 113.42 1ya4 h SER 279 Ca -0.28 0.01 0.31 0.00 -0.84 0.00 0.00 61.79 61.00 1ya4 h SER 279 Cb 1.25 0.23 -0.07 0.00 0.14 0.00 0.00 62.40 63.95 1ya4 h SER 279 CO 0.38 -0.56 0.77 0.00 -1.14 0.00 0.00 176.83 176.28 1ya4 h ALA 280 N -1.05 2.73 -0.16 3.77 0.00 -1.98 0.11 119.26 122.68 1ya4 h ALA 280 Ca -0.11 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 1ya4 h ALA 280 Cb 0.82 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 1ya4 h ALA 280 CO 0.18 -1.11 -0.25 0.28 0.00 0.00 0.00 179.25 178.35 1ya4 h VAL 281 N 0.17 1.35 0.22 0.00 2.07 -1.90 -2.45 116.25 115.72 1ya4 h VAL 281 Ca 0.59 -1.47 -0.01 0.00 0.82 0.00 0.00 66.70 66.62 1ya4 h VAL 281 Cb 1.95 1.92 0.00 0.00 -1.52 0.00 0.00 31.29 33.64 1ya4 h VAL 281 CO -0.15 0.44 -0.11 0.24 0.02 0.00 0.00 177.57 178.01 1ya4 h MET 282 N 0.09 -0.29 -0.21 1.57 0.00 -0.29 -0.09 114.93 115.70 1ya4 h MET 282 Ca 0.02 0.02 0.05 0.00 0.00 0.00 0.00 59.70 59.79 1ya4 h MET 282 Cb 0.82 0.07 -0.05 0.00 0.00 0.00 0.00 31.60 32.43 1ya4 h MET 282 CO 0.06 -0.13 -0.14 0.28 0.00 0.00 0.00 176.91 176.98 1ya4 h VAL 283 N -0.39 0.60 0.41 -2.22 2.07 -1.36 -0.62 116.25 114.73 1ya4 h VAL 283 Ca -0.03 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 1ya4 h VAL 283 Cb 0.30 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 1ya4 h VAL 283 CO 0.05 0.00 -0.48 -0.74 0.02 0.00 0.00 177.57 176.42 1ya4 h HIS 284 N -0.13 -1.34 -0.83 1.57 -0.00 -1.34 -0.76 115.15 112.33 1ya4 h HIS 284 Ca 0.12 0.01 0.20 0.00 -0.00 0.00 0.00 60.37 60.70 1ya4 h HIS 284 Cb 0.31 0.53 -0.15 0.00 -0.00 0.00 0.00 27.41 28.10 1ya4 h HIS 284 CO -0.30 -0.62 -0.01 0.00 -0.00 0.00 0.00 177.93 177.01 1ya4 h LEU 286 N 0.08 0.75 -2.19 0.00 3.38 -0.67 -2.51 115.31 114.15 1ya4 h LEU 286 Ca 0.46 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.24 1ya4 h LEU 286 Cb 0.84 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 1ya4 h LEU 286 CO -0.75 0.82 -0.04 0.03 0.09 0.00 0.00 178.44 178.59 1ya4 h ARG 287 N 0.74 0.00 0.00 1.13 3.08 0.72 -1.38 114.38 118.67 1ya4 h ARG 287 Ca 0.14 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.11 1ya4 h ARG 287 Cb 0.45 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 1ya4 h ARG 287 CO 0.02 0.04 -0.38 1.96 -1.07 0.00 0.00 179.97 180.53 1ya4 h GLN 288 N 0.00 0.00 -7.04 0.04 1.08 -1.04 -3.46 115.11 104.68 1ya4 h GLN 288 Ca -0.00 0.00 -0.52 0.00 -1.45 0.00 0.00 58.65 56.68 1ya4 h GLN 288 Cb 0.09 0.00 0.09 0.00 -0.05 0.00 0.00 27.48 27.61 1ya4 h GLN 288 CO 0.01 0.38 0.51 0.15 -0.95 0.00 0.00 178.83 178.93 1ya4 s LYS 289 N -3.28 3.42 0.56 1.46 -0.14 -0.52 -5.02 119.74 116.23 1ya4 s LYS 289 Ca 0.02 1.88 -0.13 0.00 -1.36 0.00 0.00 55.97 56.38 1ya4 s LYS 289 Cb 0.09 -2.24 -0.06 0.00 -1.68 0.00 0.00 37.83 33.94 1ya4 s LYS 289 CO 0.70 -0.86 1.00 0.95 -0.76 0.00 0.00 175.35 176.38 1ya4 s THR 290 N -1.52 4.64 0.18 2.17 -4.23 -1.26 -4.88 115.64 110.74 1ya4 s THR 290 Ca 0.69 1.01 -0.15 0.00 -1.18 0.00 0.00 61.69 62.06 1ya4 s THR 290 Cb -0.31 -3.80 0.14 0.00 1.34 0.00 0.00 72.50 69.86 1ya4 s THR 290 CO 0.37 -0.92 1.66 -0.08 -0.54 0.00 0.00 174.62 175.11 1ya4 h GLU 291 N 0.29 0.03 -0.90 3.99 4.81 -1.97 -0.48 114.58 120.35 1ya4 h GLU 291 Ca -0.45 -0.00 0.04 0.00 -0.13 0.00 0.00 59.36 58.81 1ya4 h GLU 291 Cb 1.19 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 30.51 1ya4 h GLU 291 CO 0.62 0.02 0.58 0.93 -0.73 0.00 0.00 179.01 180.43 1ya4 h GLU 292 N 0.03 1.08 -0.83 1.92 3.07 -1.98 0.52 114.58 118.39 1ya4 h GLU 292 Ca 0.24 -0.06 0.06 0.00 -0.50 0.00 0.00 59.36 59.09 1ya4 h GLU 292 Cb 0.36 -0.24 -0.06 0.00 -0.84 0.00 0.00 28.75 27.97 1ya4 h GLU 292 CO -0.47 0.71 0.52 0.93 -1.40 0.00 0.00 179.01 179.30 1ya4 h GLU 293 N 1.11 0.92 -0.02 2.33 5.08 -1.51 0.24 114.58 122.73 1ya4 h GLU 293 Ca 0.37 -0.06 -0.21 0.00 -1.00 0.00 0.00 59.36 58.46 1ya4 h GLU 293 Cb 0.04 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.08 1ya4 h GLU 293 CO -0.13 0.61 -0.88 -0.07 -1.00 0.00 0.00 179.01 177.54 1ya4 h LEU 294 N 0.95 0.47 -1.24 1.33 3.38 0.25 -2.28 115.31 118.17 1ya4 h LEU 294 Ca 0.36 -0.36 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1ya4 h LEU 294 Cb 0.15 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1ya4 h LEU 294 CO -0.17 1.14 -0.23 0.25 0.09 0.00 0.00 178.44 179.52 1ya4 h LEU 295 N 0.22 0.22 -0.61 1.67 5.85 0.53 -1.02 115.31 122.17 1ya4 h LEU 295 Ca -0.06 -0.06 -0.14 0.00 0.84 0.00 0.00 57.88 58.46 1ya4 h LEU 295 Cb 1.50 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.46 1ya4 h LEU 295 CO 0.15 0.47 -0.40 -0.08 -0.34 0.00 0.00 178.44 178.24 1ya4 h GLU 296 N 0.21 0.64 -0.40 1.25 4.81 -0.43 -2.47 114.58 118.19 1ya4 h GLU 296 Ca 0.04 -0.33 -0.15 0.00 -0.13 0.00 0.00 59.36 58.79 1ya4 h GLU 296 Cb 0.54 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 1ya4 h GLU 296 CO 0.04 0.93 -0.32 1.15 -0.73 0.00 0.00 179.01 180.07 1ya4 h THR 297 N 0.53 1.27 0.16 0.32 2.02 -0.93 -2.11 112.91 114.19 1ya4 h THR 297 Ca 0.05 -1.49 0.01 0.00 0.77 0.00 0.00 66.41 65.75 1ya4 h THR 297 Cb 0.92 1.33 -0.04 0.00 -1.74 0.00 0.00 68.15 68.62 1ya4 h THR 297 CO 0.08 0.50 -0.43 0.74 0.37 0.00 0.00 175.52 176.78 1ya4 h THR 298 N 0.75 0.14 -0.81 3.16 2.02 -0.93 0.18 112.91 117.41 1ya4 h THR 298 Ca 0.07 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.42 1ya4 h THR 298 Cb 0.91 0.14 -0.11 0.00 -1.74 0.00 0.00 68.15 67.35 1ya4 h THR 298 CO 0.08 0.00 0.33 -0.07 0.37 0.00 0.00 175.52 176.23 1ya4 h LEU 299 N -0.70 0.28 -1.18 2.58 3.38 -1.37 0.97 115.31 119.28 1ya4 h LEU 299 Ca 0.01 0.13 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 1ya4 h LEU 299 Cb 0.70 0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 1ya4 h LEU 299 CO -0.22 0.06 0.15 0.11 0.09 0.00 0.00 178.44 178.62 1ya4 h LYS 300 N 0.42 0.72 0.00 1.13 1.57 -0.43 -1.78 116.57 118.21 1ya4 h LYS 300 Ca 0.47 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 59.12 1ya4 h LYS 300 Cb 0.78 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.97 1ya4 h LYS 300 CO -0.46 0.63 0.00 -1.33 -0.57 0.00 0.00 179.45 177.73 1ya4 n MET 301 N -4.31 0.16 -3.78 3.15 2.81 0.48 -4.89 117.12 110.74 1ya4 n MET 301 Ca 0.04 0.53 -0.28 0.00 -1.81 0.00 0.00 57.70 56.18 1ya4 n MET 301 Cb 0.19 -1.90 0.02 0.00 -0.71 0.00 0.00 33.22 30.82 1ya4 n MET 301 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1ya4 n LYS 302 N -2.22 -2.48 0.00 0.03 5.02 -0.67 -4.99 118.16 112.85 1ya4 n LYS 302 Ca 0.00 0.46 0.00 0.00 -2.02 0.00 0.00 58.31 56.76 1ya4 n LYS 302 Cb 0.13 -4.42 0.00 0.00 -0.02 0.00 0.00 35.03 30.72 1ya4 n LYS 302 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1ya4 n PHE 303 N -4.27 -2.47 -0.28 2.13 3.01 -1.26 -4.23 117.46 110.08 1ya4 n PHE 303 Ca -0.20 0.00 -0.00 0.00 1.01 0.00 0.00 57.45 58.26 1ya4 n PHE 303 Cb 0.64 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 40.11 1ya4 n PHE 303 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1ya4 n LEU 304 N 0.00 0.14 -4.02 4.37 4.77 -0.86 -4.87 117.00 116.53 1ya4 n LEU 304 Ca 0.00 0.01 -0.14 0.00 -0.03 0.00 0.00 56.01 55.85 1ya4 n LEU 304 Cb 0.00 -0.88 -0.13 0.00 -2.33 0.00 0.00 43.42 40.09 1ya4 n LEU 304 CO 0.00 -0.19 -0.40 -0.44 -1.33 0.00 0.00 177.39 175.03 1ya4 s SER 305 N -0.47 0.73 -0.23 -1.43 0.01 -1.26 -4.34 113.70 106.72 1ya4 s SER 305 Ca 0.00 -0.37 -0.29 0.00 1.31 0.00 0.00 55.95 56.60 1ya4 s SER 305 Cb 0.00 -0.00 -0.01 0.00 0.21 0.00 0.00 66.02 66.22 1ya4 s SER 305 CO 0.00 -0.10 1.34 -0.22 0.41 0.00 0.00 173.24 174.67 1ya4 s LEU 306 N -1.00 4.01 -0.36 2.44 2.96 -0.81 -4.93 118.68 120.99 1ya4 s LEU 306 Ca -0.05 1.48 -0.29 0.00 -0.22 0.00 0.00 54.13 55.05 1ya4 s LEU 306 Cb -0.07 -3.54 0.02 0.00 0.50 0.00 0.00 46.19 43.10 1ya4 s LEU 306 CO 0.00 -0.98 1.10 -0.62 -1.32 0.00 0.00 176.35 174.53 1ya4 s ASP 307 N 2.70 6.85 0.00 3.68 3.68 -1.26 -4.89 116.67 127.42 1ya4 s ASP 307 Ca 0.58 0.92 0.23 0.00 2.13 0.00 0.00 52.55 56.42 1ya4 s ASP 307 Cb -0.20 -2.54 0.15 0.00 -1.45 0.00 0.00 42.92 38.87 1ya4 s ASP 307 CO 0.21 -0.98 1.17 0.18 0.13 0.00 0.00 175.17 175.88 1ya4 n LEU 308 N 7.13 0.98 -3.76 -1.34 4.77 -1.26 -4.75 117.00 118.77 1ya4 n LEU 308 Ca 0.12 -0.35 -0.30 0.00 -0.03 0.00 0.00 56.01 55.46 1ya4 n LEU 308 Cb 0.47 -0.09 -0.15 0.00 -2.33 0.00 0.00 43.42 41.32 1ya4 n LEU 308 CO 0.62 0.22 -0.34 0.00 -1.33 0.00 0.00 177.39 176.57 1ya4 s GLN 309 N -2.87 0.80 0.00 3.23 -2.07 -1.26 -5.07 119.66 112.42 1ya4 s GLN 309 Ca 0.12 -1.08 0.00 0.00 -1.82 0.00 0.00 55.36 52.58 1ya4 s GLN 309 Cb 0.17 -2.11 0.00 0.00 -1.09 0.00 0.00 33.01 29.98 1ya4 s GLN 309 CO 0.74 -0.94 0.00 0.41 -1.32 0.00 0.00 175.29 174.18 1ya4 n GLY 310 N 4.81 3.24 3.66 2.60 0.00 -1.26 -5.07 105.19 113.17 1ya4 n GLY 310 Ca -0.03 -1.38 -0.42 0.00 0.00 0.00 0.00 46.02 44.19 1ya4 n GLY 310 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ya4 s ASP 311 N 0.00 6.54 0.44 1.61 -1.08 -1.26 -4.84 116.67 118.08 1ya4 s ASP 311 Ca 0.00 2.50 0.30 0.00 -0.52 0.00 0.00 52.55 54.83 1ya4 s ASP 311 Cb 0.00 -2.54 1.60 0.00 -1.46 0.00 0.00 42.92 40.53 1ya4 s ASP 311 CO 0.00 -0.99 1.90 -0.65 0.52 0.00 0.00 175.17 175.95 1ya4 h PRO 312 N 9.96 0.00 -0.00 4.34 0.11 -1.90 -1.48 132.00 143.03 1ya4 h PRO 312 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1ya4 h PRO 312 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1ya4 h PRO 312 CO 0.94 0.00 -0.28 0.54 -0.21 0.00 0.00 178.00 179.00 1ya4 n ARG 313 N -2.54 0.24 -0.08 1.05 1.74 -1.26 -3.81 116.66 112.00 1ya4 n ARG 313 Ca -0.02 -0.11 -0.09 0.00 -0.77 0.00 0.00 57.85 56.87 1ya4 n ARG 313 Cb 0.05 -1.50 -0.12 0.00 -1.02 0.00 0.00 32.46 29.87 1ya4 n ARG 313 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1ya4 n GLU 314 N -1.29 1.27 -1.66 5.56 1.02 -0.57 -4.96 120.64 120.01 1ya4 n GLU 314 Ca 0.08 0.01 -0.49 0.00 -0.02 0.00 0.00 57.16 56.74 1ya4 n GLU 314 Cb 0.33 -1.41 -0.05 0.00 -0.02 0.00 0.00 31.44 30.28 1ya4 n GLU 314 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1ya4 n SER 315 N -2.65 2.80 -4.14 1.62 2.88 -1.16 -4.95 113.62 108.03 1ya4 n SER 315 Ca -0.27 1.06 -0.36 0.00 -1.33 0.00 0.00 58.87 57.97 1ya4 n SER 315 Cb 1.01 -1.33 -0.12 0.00 -0.75 0.00 0.00 64.21 63.02 1ya4 n SER 315 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 1ya4 s GLN 316 N 1.99 2.10 0.56 -1.46 2.00 -1.26 -4.78 119.66 118.82 1ya4 s GLN 316 Ca 0.86 -1.69 0.32 0.00 -2.00 0.00 0.00 55.36 52.85 1ya4 s GLN 316 Cb -0.79 -3.50 1.67 0.00 0.80 0.00 0.00 33.01 31.19 1ya4 s GLN 316 CO 0.47 -0.97 2.14 -1.35 -0.50 0.00 0.00 175.29 175.08 1ya4 h PRO 317 N 8.04 0.00 -2.29 1.67 0.11 -1.92 -3.44 132.00 134.18 1ya4 h PRO 317 Ca -0.15 0.00 0.27 0.00 0.11 0.00 0.00 66.00 66.23 1ya4 h PRO 317 Cb 1.05 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.11 1ya4 h PRO 317 CO 0.66 0.07 0.77 -0.48 -0.21 0.00 0.00 178.00 178.81 1ya4 s LEU 318 N -6.92 0.01 -0.43 2.35 0.05 -1.26 -2.03 118.68 110.44 1ya4 s LEU 318 Ca -0.03 -0.40 -0.04 0.00 0.05 0.00 0.00 54.13 53.71 1ya4 s LEU 318 Cb 0.13 1.64 0.11 0.00 -2.05 0.00 0.00 46.19 46.02 1ya4 s LEU 318 CO 0.54 -0.58 0.24 -0.76 -0.55 0.00 0.00 176.35 175.23 1ya4 s LEU 319 N -3.63 5.32 0.00 1.48 1.43 -1.26 -5.07 118.68 116.95 1ya4 s LEU 319 Ca 0.26 -2.05 0.00 0.00 -1.03 0.00 0.00 54.13 51.31 1ya4 s LEU 319 Cb -0.01 -1.86 0.00 0.00 0.03 0.00 0.00 46.19 44.35 1ya4 s LEU 319 CO 0.02 -0.56 0.00 0.61 0.23 0.00 0.00 176.35 176.65 1ya4 n GLY 320 N 4.59 3.68 3.72 -3.19 0.00 -1.26 -4.71 105.19 108.01 1ya4 n GLY 320 Ca -0.03 -2.01 -0.32 0.00 0.00 0.00 0.00 46.02 43.67 1ya4 n GLY 320 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ya4 s THR 321 N 1.85 2.55 0.17 2.61 2.01 0.05 -4.77 115.64 120.11 1ya4 s THR 321 Ca 0.00 0.21 -0.09 0.00 0.31 0.00 0.00 61.69 62.12 1ya4 s THR 321 Cb 0.00 -2.53 -0.01 0.00 0.01 0.00 0.00 72.50 69.97 1ya4 s THR 321 CO 0.00 -0.21 0.28 0.68 -0.69 0.00 0.00 174.62 174.68 1ya4 s VAL 322 N -2.53 0.06 -1.22 3.82 -7.23 -1.26 -1.20 120.40 110.84 1ya4 s VAL 322 Ca 0.67 -1.43 -0.13 0.00 -1.81 0.00 0.00 61.98 59.27 1ya4 s VAL 322 Cb -0.23 -1.90 0.17 0.00 0.56 0.00 0.00 36.38 34.98 1ya4 s VAL 322 CO 0.53 -0.27 1.47 -0.38 -0.31 0.00 0.00 175.10 176.14 1ya4 n ILE 323 N -0.22 4.26 -0.12 -0.62 2.08 -1.26 -4.71 119.36 118.76 1ya4 n ILE 323 Ca -0.06 -4.71 -0.07 0.00 0.56 0.00 0.00 62.75 58.47 1ya4 n ILE 323 Cb 0.63 -2.46 0.10 0.00 -0.75 0.00 0.00 39.64 37.17 1ya4 n ILE 323 CO 0.00 0.00 0.00 -2.24 0.56 0.00 0.00 176.55 174.87 1ya4 h ASP 324 N 7.04 0.83 0.00 4.38 -0.00 -1.86 -3.48 116.42 123.34 1ya4 h ASP 324 Ca 0.32 -0.25 0.00 0.00 -0.00 0.00 0.00 57.03 57.11 1ya4 h ASP 324 Cb 0.86 -0.22 0.00 0.00 -0.00 0.00 0.00 39.33 39.96 1ya4 h ASP 324 CO 1.27 0.95 0.00 0.61 -0.00 0.00 0.00 179.24 182.07 1ya4 n GLY 325 N -0.43 0.74 1.13 7.15 0.00 -1.01 -4.92 105.19 107.84 1ya4 n GLY 325 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1ya4 n GLY 325 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ya4 n MET 326 N -1.04 0.00 -0.00 1.61 2.81 -1.26 -4.80 117.12 114.44 1ya4 n MET 326 Ca 0.00 0.00 -0.19 0.00 -1.81 0.00 0.00 57.70 55.70 1ya4 n MET 326 Cb 0.00 -0.45 -0.14 0.00 -0.71 0.00 0.00 33.22 31.92 1ya4 n MET 326 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 1ya4 h LEU 327 N 0.00 0.28 -7.71 4.03 5.85 -1.94 -3.42 115.31 112.39 1ya4 h LEU 327 Ca 0.00 -0.91 -0.63 0.00 0.84 0.00 0.00 57.88 57.18 1ya4 h LEU 327 Cb 0.36 -0.09 -0.38 0.00 0.37 0.00 0.00 40.66 40.92 1ya4 h LEU 327 CO 0.00 1.33 -0.79 -0.76 -0.34 0.00 0.00 178.44 177.88 1ya4 s LEU 328 N -7.91 2.89 0.13 2.25 1.43 -1.26 -4.02 118.68 112.19 1ya4 s LEU 328 Ca -0.17 -1.27 0.22 0.00 -1.03 0.00 0.00 54.13 51.88 1ya4 s LEU 328 Cb 0.01 -1.31 0.89 0.00 0.03 0.00 0.00 46.19 45.81 1ya4 s LEU 328 CO 0.76 -0.22 1.69 0.18 0.23 0.00 0.00 176.35 178.99 1ya4 n LEU 329 N 4.59 0.40 -3.65 1.79 4.77 -1.26 -2.41 117.00 121.22 1ya4 n LEU 329 Ca -0.12 0.57 -0.02 0.00 -0.03 0.00 0.00 56.01 56.41 1ya4 n LEU 329 Cb 0.43 -0.49 -0.01 0.00 -2.33 0.00 0.00 43.42 41.02 1ya4 n LEU 329 CO 0.19 -0.31 0.91 -1.59 -1.33 0.00 0.00 177.39 175.26 1ya4 s LYS 330 N -3.13 0.68 0.22 3.23 -2.85 -1.26 -4.86 119.74 111.76 1ya4 s LYS 330 Ca 0.08 -0.36 -0.31 0.00 -1.00 0.00 0.00 55.97 54.38 1ya4 s LYS 330 Cb 0.12 0.25 -0.15 0.00 -2.06 0.00 0.00 37.83 35.98 1ya4 s LYS 330 CO 0.42 -0.31 1.13 0.25 0.10 0.00 0.00 175.35 176.94 1ya4 n THR 331 N -0.41 1.26 -0.31 3.79 -2.24 -1.26 -4.66 114.28 110.45 1ya4 n THR 331 Ca -0.07 -0.32 0.14 0.00 -2.27 0.00 0.00 64.05 61.54 1ya4 n THR 331 Cb 0.61 -0.96 0.30 0.00 -2.10 0.00 0.00 70.33 68.19 1ya4 n THR 331 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1ya4 h PRO 332 N 3.00 0.12 0.07 -0.78 0.11 -2.00 -0.62 132.00 131.91 1ya4 h PRO 332 Ca -0.42 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.71 1ya4 h PRO 332 Cb 1.34 -0.03 -0.05 0.00 0.11 0.00 0.00 31.00 32.37 1ya4 h PRO 332 CO 0.68 0.08 -0.41 0.93 -0.21 0.00 0.00 178.00 179.06 1ya4 h GLU 333 N 0.13 -0.59 -0.16 1.05 3.07 -1.90 -1.31 114.58 114.87 1ya4 h GLU 333 Ca 0.57 0.04 0.03 0.00 -0.50 0.00 0.00 59.36 59.51 1ya4 h GLU 333 Cb 1.19 0.13 -0.03 0.00 -0.84 0.00 0.00 28.75 29.21 1ya4 h GLU 333 CO -0.74 -0.39 -0.03 0.93 -1.40 0.00 0.00 179.01 177.37 1ya4 h GLU 334 N -0.61 0.01 -0.46 2.33 5.08 -1.49 -3.12 114.58 116.31 1ya4 h GLU 334 Ca 0.03 -0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.48 1ya4 h GLU 334 Cb 0.66 -0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.81 1ya4 h GLU 334 CO -0.27 0.01 -0.28 -0.07 -1.00 0.00 0.00 179.01 177.40 1ya4 h LEU 335 N 0.01 -0.93 -0.09 1.33 3.38 -0.70 0.11 115.31 118.42 1ya4 h LEU 335 Ca 0.08 0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1ya4 h LEU 335 Cb 0.11 0.47 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1ya4 h LEU 335 CO -0.16 -0.28 0.00 0.00 0.09 0.00 0.00 178.44 178.09 1ya4 n GLN 336 N -5.41 0.01 0.37 1.13 10.64 -0.55 -2.27 117.38 121.30 1ya4 n GLN 336 Ca 0.03 0.39 -0.18 0.00 -1.83 0.00 0.00 57.00 55.41 1ya4 n GLN 336 Cb 0.33 -1.53 -0.09 0.00 -0.86 0.00 0.00 30.24 28.09 1ya4 n GLN 336 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1ya4 h ALA 337 N 2.23 -0.92 -2.16 2.61 0.00 -0.73 -3.38 119.26 116.91 1ya4 h ALA 337 Ca 0.00 -0.21 -0.60 0.00 0.00 0.00 0.00 54.91 54.10 1ya4 h ALA 337 Cb 0.12 0.36 -0.10 0.00 0.00 0.00 0.00 17.79 18.18 1ya4 h ALA 337 CO 0.00 -0.99 0.49 -1.21 0.00 0.00 0.00 179.25 177.55 1ya4 s GLU 338 N -5.77 3.94 0.00 0.00 8.01 -0.96 -4.87 118.70 119.05 1ya4 s GLU 338 Ca -0.17 0.63 0.10 0.00 0.01 0.00 0.00 54.97 55.54 1ya4 s GLU 338 Cb 0.03 -3.75 0.51 0.00 -4.31 0.00 0.00 34.13 26.61 1ya4 s GLU 338 CO 0.59 -0.77 1.18 0.54 0.01 0.00 0.00 175.26 176.81 1ya4 n ARG 339 N 6.41 0.16 -2.18 1.61 3.00 -1.26 -4.41 116.66 119.99 1ya4 n ARG 339 Ca 0.05 0.17 -0.36 0.00 -0.01 0.00 0.00 57.85 57.70 1ya4 n ARG 339 Cb 0.48 -1.50 -0.03 0.00 0.00 0.00 0.00 32.46 31.41 1ya4 n ARG 339 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1ya4 n ASN 340 N -1.25 3.81 -0.98 0.55 4.13 -1.26 -4.74 115.26 115.51 1ya4 n ASN 340 Ca 0.05 -2.79 0.00 0.00 1.68 0.00 0.00 54.58 53.52 1ya4 n ASN 340 Cb 0.07 -1.69 0.00 0.00 -1.54 0.00 0.00 39.78 36.62 1ya4 n ASN 340 CO 0.00 0.00 0.00 2.22 0.28 0.00 0.00 177.26 179.76 1ya4 n PHE 341 N 11.06 -0.97 -2.85 3.10 1.16 -1.26 -5.11 117.46 122.59 1ya4 n PHE 341 Ca 0.47 0.00 -0.43 0.00 -1.87 0.00 0.00 57.45 55.63 1ya4 n PHE 341 Cb 0.45 0.00 -0.04 0.00 -1.61 0.00 0.00 39.48 38.28 1ya4 n PHE 341 CO 0.00 0.00 0.00 -1.58 -1.87 0.00 0.00 176.76 173.31 1ya4 s HIS 342 N -8.81 3.05 -0.21 2.97 5.65 -1.26 -5.02 115.29 111.66 1ya4 s HIS 342 Ca 0.00 0.62 -0.08 0.00 0.25 0.00 0.00 55.06 55.85 1ya4 s HIS 342 Cb 0.00 -3.65 -0.04 0.00 -1.18 0.00 0.00 32.58 27.71 1ya4 s HIS 342 CO 0.00 -0.86 0.09 0.95 -0.65 0.00 0.00 174.74 174.27 1ya4 s THR 343 N 3.43 4.82 0.15 0.89 -4.23 -1.26 -4.86 115.64 114.58 1ya4 s THR 343 Ca 0.36 -0.01 0.00 0.00 -1.18 0.00 0.00 61.69 60.86 1ya4 s THR 343 Cb -0.12 -3.21 -0.04 0.00 1.34 0.00 0.00 72.50 70.47 1ya4 s THR 343 CO 0.20 0.40 0.04 0.68 -0.54 0.00 0.00 174.62 175.39 1ya4 s VAL 344 N 0.87 0.33 -0.06 2.29 -7.23 -1.26 -4.98 120.40 110.36 1ya4 s VAL 344 Ca 0.05 -1.94 -0.34 0.00 -1.81 0.00 0.00 61.98 57.94 1ya4 s VAL 344 Cb -0.13 -2.09 -0.12 0.00 0.56 0.00 0.00 36.38 34.60 1ya4 s VAL 344 CO 0.03 -0.46 1.88 -2.65 -0.31 0.00 0.00 175.10 173.59 1ya4 n PRO 345 N -0.16 2.26 -4.11 4.82 -0.02 -1.26 -4.57 135.00 131.96 1ya4 n PRO 345 Ca -0.06 0.83 -0.29 0.00 -2.02 0.00 0.00 63.50 61.96 1ya4 n PRO 345 Cb 0.64 -2.68 -0.17 0.00 -0.02 0.00 0.00 33.50 31.27 1ya4 n PRO 345 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1ya4 s TYR 346 N 3.95 2.05 -0.29 6.00 6.04 -0.47 -1.17 117.35 133.46 1ya4 s TYR 346 Ca 0.92 -1.10 -0.09 0.00 0.04 0.00 0.00 57.07 56.83 1ya4 s TYR 346 Cb -0.66 -1.52 -0.02 0.00 -1.04 0.00 0.00 41.96 38.72 1ya4 s TYR 346 CO 0.50 -0.61 0.14 1.41 -1.54 0.00 0.00 175.55 175.45 1ya4 s MET 347 N 1.39 3.49 -0.20 4.97 -2.45 0.19 -2.16 119.30 124.54 1ya4 s MET 347 Ca 0.02 -0.61 -0.01 0.00 -1.25 0.00 0.00 55.69 53.84 1ya4 s MET 347 Cb -0.13 -3.52 0.01 0.00 1.25 0.00 0.00 34.83 32.43 1ya4 s MET 347 CO -0.08 -0.33 -0.12 0.08 1.05 0.00 0.00 175.02 175.62 1ya4 s VAL 348 N 1.63 2.73 0.27 10.11 1.01 -0.36 -0.97 120.40 134.82 1ya4 s VAL 348 Ca 0.05 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.33 1ya4 s VAL 348 Cb -0.16 -2.21 -0.05 0.00 0.00 0.00 0.00 36.38 33.95 1ya4 s VAL 348 CO 0.06 0.47 0.07 -0.83 0.00 0.00 0.00 175.10 174.87 1ya4 s GLY 349 N 1.38 1.77 0.18 4.51 0.00 -0.71 -2.89 107.32 111.57 1ya4 s GLY 349 Ca 0.05 -1.89 -0.07 0.00 0.00 0.00 0.00 44.72 42.81 1ya4 s GLY 349 CO -0.08 -1.65 0.27 -0.26 0.00 0.00 0.00 173.10 171.38 1ya4 s ILE 350 N -3.61 0.05 0.11 0.90 -4.36 -0.76 -2.13 121.20 111.40 1ya4 s ILE 350 Ca 0.36 -1.54 0.04 0.00 -0.26 0.00 0.00 60.65 59.25 1ya4 s ILE 350 Cb 0.08 -2.02 -0.04 0.00 1.25 0.00 0.00 42.46 41.73 1ya4 s ILE 350 CO 0.13 -0.22 0.10 0.20 0.24 0.00 0.00 174.94 175.39 1ya4 s ASN 351 N -3.01 5.54 0.31 4.36 0.02 -1.26 -1.43 114.94 119.46 1ya4 s ASN 351 Ca 0.22 -0.06 0.07 0.00 -1.02 0.00 0.00 52.86 52.08 1ya4 s ASN 351 Cb 0.04 -1.47 0.82 0.00 0.02 0.00 0.00 41.25 40.65 1ya4 s ASN 351 CO 0.03 0.13 1.72 0.50 0.02 0.00 0.00 177.10 179.50 1ya4 h LYS 352 N 2.92 0.50 -2.12 -0.60 1.63 -0.93 -3.27 116.57 114.70 1ya4 h LYS 352 Ca -0.47 -0.03 -0.58 0.00 -0.85 0.00 0.00 60.65 58.72 1ya4 h LYS 352 Cb 1.18 -0.11 -0.40 0.00 -0.60 0.00 0.00 32.23 32.30 1ya4 h LYS 352 CO 0.65 0.33 -0.93 1.04 -3.45 0.00 0.00 179.45 177.09 1ya4 n GLN 353 N -4.94 1.24 -0.25 1.90 6.02 0.16 -4.98 117.38 116.53 1ya4 n GLN 353 Ca 0.25 -3.69 0.03 0.00 -0.01 0.00 0.00 57.00 53.58 1ya4 n GLN 353 Cb 0.70 -1.59 0.16 0.00 1.02 0.00 0.00 30.24 30.53 1ya4 n GLN 353 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1ya4 h GLU 354 N 4.22 0.56 -0.76 -1.09 4.39 -1.66 -1.30 114.58 118.94 1ya4 h GLU 354 Ca 0.13 -0.03 -0.19 0.00 0.34 0.00 0.00 59.36 59.61 1ya4 h GLU 354 Cb 0.81 -0.13 -0.11 0.00 -0.10 0.00 0.00 28.75 29.23 1ya4 h GLU 354 CO 0.57 0.37 0.24 0.34 -1.16 0.00 0.00 179.01 179.37 1ya4 n PHE 355 N -4.89 2.31 0.05 4.33 -0.00 -1.26 -3.50 117.46 114.50 1ya4 n PHE 355 Ca 0.12 -1.09 0.00 0.00 -0.00 0.00 0.00 57.45 56.49 1ya4 n PHE 355 Cb 0.32 -0.65 0.32 0.00 -0.00 0.00 0.00 39.48 39.47 1ya4 n PHE 355 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 1ya4 h GLY 356 N 2.99 0.42 0.00 7.13 0.00 -1.54 -3.42 103.07 108.65 1ya4 h GLY 356 Ca 0.23 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1ya4 h GLY 356 CO 0.68 0.25 0.00 1.87 0.00 0.00 0.00 176.54 179.34 1ya4 n TRP 357 N -4.24 -1.23 -0.22 5.60 -0.00 -1.26 -4.98 117.44 111.11 1ya4 n TRP 357 Ca 0.00 0.00 0.21 0.00 -0.00 0.00 0.00 57.50 57.71 1ya4 n TRP 357 Cb 0.29 0.25 0.38 0.00 -0.00 0.00 0.00 31.31 32.23 1ya4 n TRP 357 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 177.69 177.58 1ya4 n LEU 358 N -1.74 0.21 -0.10 5.87 7.94 -1.26 -0.79 117.00 127.13 1ya4 n LEU 358 Ca 0.00 1.14 -0.19 0.00 -1.11 0.00 0.00 56.01 55.84 1ya4 n LEU 358 Cb 0.00 -0.54 -0.11 0.00 0.53 0.00 0.00 43.42 43.30 1ya4 n LEU 358 CO 0.00 -1.26 -0.36 0.40 -1.11 0.00 0.00 177.39 175.06 1ya4 h ILE 359 N 0.00 0.98 0.00 1.96 2.04 -1.89 -2.54 117.51 118.06 1ya4 h ILE 359 Ca 0.56 -2.11 0.00 0.00 1.00 0.00 0.00 64.86 64.31 1ya4 h ILE 359 Cb 1.47 2.22 0.00 0.00 -0.74 0.00 0.00 36.82 39.77 1ya4 h ILE 359 CO -0.54 0.33 0.00 -2.65 0.00 0.00 0.00 178.15 175.30 1ya4 n PRO 360 N -4.48 0.13 -0.10 2.37 -0.02 -0.83 -1.40 135.00 130.67 1ya4 n PRO 360 Ca -0.27 0.63 -0.19 0.00 -2.02 0.00 0.00 63.50 61.66 1ya4 n PRO 360 Cb 0.61 -1.94 -0.11 0.00 -0.02 0.00 0.00 33.50 32.05 1ya4 n PRO 360 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 1ya4 h MET 361 N 0.00 0.00 0.00 -0.52 -1.53 -1.07 -1.38 114.93 110.43 1ya4 h MET 361 Ca 0.00 0.00 -0.04 0.00 -3.44 0.00 0.00 59.70 56.22 1ya4 h MET 361 Cb 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.05 1ya4 h MET 361 CO 0.00 0.89 -0.17 -0.07 0.14 0.00 0.00 176.91 177.70 1ya4 h LEU 363 N -1.00 0.00 0.00 3.39 3.38 -0.86 -2.30 115.31 117.92 1ya4 h LEU 363 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1ya4 h LEU 363 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1ya4 h LEU 363 CO -0.16 0.17 -0.65 0.24 0.09 0.00 0.00 178.44 178.14 1ya4 h MET 364 N 0.00 0.00 -3.68 1.13 2.86 -1.40 -3.46 114.93 110.38 1ya4 h MET 364 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1ya4 h MET 364 Cb 0.41 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.07 1ya4 h MET 364 CO 0.02 0.00 -0.05 0.43 1.06 0.00 0.00 176.91 178.38 1ya4 n SER 365 N -2.28 -3.70 -4.83 1.22 7.64 -0.87 -1.93 113.62 108.88 1ya4 n SER 365 Ca 0.03 0.04 -0.37 0.00 1.01 0.00 0.00 58.87 59.57 1ya4 n SER 365 Cb 0.47 -2.26 -0.06 0.00 -1.01 0.00 0.00 64.21 61.35 1ya4 n SER 365 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1ya4 s TYR 366 N -2.50 3.71 -0.82 1.43 1.51 -0.53 -4.66 117.35 115.49 1ya4 s TYR 366 Ca 0.02 1.08 -0.14 0.00 -1.01 0.00 0.00 57.07 57.02 1ya4 s TYR 366 Cb -0.01 -2.36 -0.11 0.00 -0.11 0.00 0.00 41.96 39.38 1ya4 s TYR 366 CO 0.22 0.56 1.98 -2.30 -1.11 0.00 0.00 175.55 174.90 1ya4 n PRO 367 N 1.44 1.73 -2.50 -1.71 -0.02 -1.26 -4.48 135.00 128.20 1ya4 n PRO 367 Ca -0.10 -1.63 -0.15 0.00 -2.02 0.00 0.00 63.50 59.60 1ya4 n PRO 367 Cb 0.52 -2.68 0.03 0.00 -0.02 0.00 0.00 33.50 31.34 1ya4 n PRO 367 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1ya4 n LEU 368 N 5.93 3.17 0.18 2.45 4.77 -1.26 -4.74 117.00 127.49 1ya4 n LEU 368 Ca 0.46 -4.16 0.10 0.00 -0.03 0.00 0.00 56.01 52.38 1ya4 n LEU 368 Cb 0.27 0.03 0.10 0.00 -2.33 0.00 0.00 43.42 41.49 1ya4 n LEU 368 CO 0.87 1.72 0.55 0.77 -1.33 0.00 0.00 177.39 179.97 1ya4 h SER 369 N 2.58 0.00 0.86 -1.43 4.64 -1.95 -3.18 113.55 115.07 1ya4 h SER 369 Ca 0.11 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.33 1ya4 h SER 369 Cb 1.24 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.31 1ya4 h SER 369 CO 0.57 0.10 -0.48 -0.33 -0.87 0.00 0.00 176.83 175.81 1ya4 h GLU 370 N 0.00 0.00 -1.19 4.77 4.39 -1.97 -3.47 114.58 117.11 1ya4 h GLU 370 Ca -0.01 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.49 1ya4 h GLU 370 Cb 1.08 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.70 1ya4 h GLU 370 CO 0.01 0.48 -0.24 0.41 -1.16 0.00 0.00 179.01 178.51 1ya4 n GLY 371 N 0.39 0.27 3.47 -3.84 0.00 -1.20 -4.99 105.19 99.29 1ya4 n GLY 371 Ca -0.00 -0.49 -0.13 0.00 0.00 0.00 0.00 46.02 45.40 1ya4 n GLY 371 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1ya4 s GLN 372 N -4.08 1.10 0.28 1.61 -2.07 -1.26 -4.49 119.66 110.75 1ya4 s GLN 372 Ca 0.00 -0.20 -0.04 0.00 -1.82 0.00 0.00 55.36 53.30 1ya4 s GLN 372 Cb 0.00 0.51 -0.01 0.00 -1.09 0.00 0.00 33.01 32.42 1ya4 s GLN 372 CO 0.00 -0.44 0.36 -1.17 -1.32 0.00 0.00 175.29 172.72 1ya4 s LEU 373 N -2.16 0.93 -0.03 2.60 2.96 -1.18 -4.91 118.68 116.90 1ya4 s LEU 373 Ca -0.02 -1.33 -0.13 0.00 -0.22 0.00 0.00 54.13 52.42 1ya4 s LEU 373 Cb -0.01 1.16 0.02 0.00 0.50 0.00 0.00 46.19 47.86 1ya4 s LEU 373 CO -0.05 -1.11 0.29 1.51 -1.32 0.00 0.00 176.35 175.68 1ya4 s ASP 374 N -3.17 -0.18 0.11 3.68 -4.77 -1.26 -4.36 116.67 106.72 1ya4 s ASP 374 Ca 0.32 0.12 -0.06 0.00 -3.30 0.00 0.00 52.55 49.63 1ya4 s ASP 374 Cb 0.02 0.34 0.14 0.00 -1.09 0.00 0.00 42.92 42.33 1ya4 s ASP 374 CO 0.16 -0.40 0.67 0.00 0.70 0.00 0.00 175.17 176.30 1ya4 n GLN 375 N 1.50 -0.08 0.39 2.11 1.13 -1.26 -0.35 117.38 120.82 1ya4 n GLN 375 Ca -0.21 0.66 -0.18 0.00 -1.94 0.00 0.00 57.00 55.34 1ya4 n GLN 375 Cb 0.56 -0.99 -0.09 0.00 0.11 0.00 0.00 30.24 29.84 1ya4 n GLN 375 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 1ya4 h LYS 376 N 0.00 -0.94 -0.92 -1.09 1.57 -2.00 -1.62 116.57 111.57 1ya4 h LYS 376 Ca 0.17 0.06 0.07 0.00 -1.87 0.00 0.00 60.65 59.08 1ya4 h LYS 376 Cb 0.28 0.21 -0.06 0.00 0.08 0.00 0.00 32.23 32.74 1ya4 h LYS 376 CO -0.43 -0.61 0.60 1.15 -0.57 0.00 0.00 179.45 179.59 1ya4 h THR 377 N -1.07 1.06 0.13 -0.16 2.02 -1.18 -2.39 112.91 111.33 1ya4 h THR 377 Ca -0.10 -0.36 -0.01 0.00 0.77 0.00 0.00 66.41 66.72 1ya4 h THR 377 Cb 0.77 -0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 67.10 1ya4 h THR 377 CO 0.16 0.19 -0.10 0.00 0.37 0.00 0.00 175.52 176.15 1ya4 h ALA 378 N 1.50 -0.92 -1.31 6.16 0.00 -0.56 -0.95 119.26 123.19 1ya4 h ALA 378 Ca 0.40 -0.04 0.39 0.00 0.00 0.00 0.00 54.91 55.65 1ya4 h ALA 378 Cb 0.21 0.26 -0.09 0.00 0.00 0.00 0.00 17.79 18.17 1ya4 h ALA 378 CO -0.16 -0.91 0.89 0.52 0.00 0.00 0.00 179.25 179.59 1ya4 h MET 379 N -0.22 0.12 -0.09 0.00 2.07 -1.14 0.41 114.93 116.08 1ya4 h MET 379 Ca -0.02 -0.01 -0.06 0.00 -2.07 0.00 0.00 59.70 57.55 1ya4 h MET 379 Cb 0.18 -0.03 0.00 0.00 -1.87 0.00 0.00 31.60 29.88 1ya4 h MET 379 CO 0.01 0.08 -0.17 1.03 1.07 0.00 0.00 176.91 178.93 1ya4 h SER 380 N 0.13 0.31 0.31 1.22 0.87 -1.12 -2.55 113.55 112.71 1ya4 h SER 380 Ca 0.71 -0.55 -0.01 0.00 -1.23 0.00 0.00 61.79 60.71 1ya4 h SER 380 Cb 2.40 -0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 64.26 1ya4 h SER 380 CO -0.21 0.80 -0.19 -0.07 -0.53 0.00 0.00 176.83 176.63 1ya4 h LEU 381 N -0.17 -0.47 -1.44 2.23 3.38 0.11 -0.60 115.31 118.35 1ya4 h LEU 381 Ca 0.01 0.03 0.23 0.00 0.09 0.00 0.00 57.88 58.24 1ya4 h LEU 381 Cb 0.74 0.14 -0.08 0.00 0.09 0.00 0.00 40.66 41.55 1ya4 h LEU 381 CO 0.04 -0.30 0.64 0.25 0.09 0.00 0.00 178.44 179.15 1ya4 h LEU 382 N -0.48 0.43 0.03 1.67 5.85 -0.92 0.37 115.31 122.26 1ya4 h LEU 382 Ca -0.03 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 1ya4 h LEU 382 Cb 0.40 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.41 1ya4 h LEU 382 CO 0.03 0.14 -0.01 -0.25 -0.34 0.00 0.00 178.44 178.01 1ya4 h TRP 383 N 0.41 -0.04 0.00 1.25 -0.00 -0.97 -2.85 115.95 113.76 1ya4 h TRP 383 Ca 0.53 -0.00 0.00 0.00 -0.00 0.00 0.00 58.89 59.42 1ya4 h TRP 383 Cb 1.32 0.01 0.00 0.00 -0.00 0.00 0.00 29.16 30.50 1ya4 h TRP 383 CO -0.00 0.50 0.00 1.63 -0.00 0.00 0.00 178.44 180.57 1ya4 n LYS 384 N -4.84 0.07 -0.60 2.65 5.02 0.00 -0.38 118.16 120.07 1ya4 n LYS 384 Ca -0.09 0.47 0.07 0.00 -2.02 0.00 0.00 58.31 56.74 1ya4 n LYS 384 Cb 0.28 -1.68 0.31 0.00 -0.02 0.00 0.00 35.03 33.92 1ya4 n LYS 384 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1ya4 n SER 385 N -1.82 4.37 -0.25 4.39 7.64 0.11 -4.58 113.62 123.47 1ya4 n SER 385 Ca 0.01 -2.53 0.05 0.00 1.01 0.00 0.00 58.87 57.41 1ya4 n SER 385 Cb 0.08 -0.58 0.18 0.00 -1.01 0.00 0.00 64.21 62.89 1ya4 n SER 385 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 1ya4 h TYR 386 N 3.33 0.41 -0.26 1.43 3.20 -0.70 -1.42 116.97 122.96 1ya4 h TYR 386 Ca 0.00 0.04 0.04 0.00 3.14 0.00 0.00 58.73 61.95 1ya4 h TYR 386 Cb 1.44 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 39.63 1ya4 h TYR 386 CO 0.75 -0.00 0.18 -1.00 -1.64 0.00 0.00 178.16 176.44 1ya4 h PRO 387 N 0.36 0.16 0.21 1.82 0.13 -1.81 1.16 132.00 134.04 1ya4 h PRO 387 Ca 0.41 -0.01 -0.34 0.00 -0.87 0.00 0.00 66.00 65.19 1ya4 h PRO 387 Cb 0.66 -0.04 0.02 0.00 0.13 0.00 0.00 31.00 31.78 1ya4 h PRO 387 CO -0.45 0.11 -1.61 -0.07 -0.23 0.00 0.00 178.00 175.75 1ya4 h LEU 388 N 0.17 0.68 0.00 1.56 3.38 -1.64 -3.40 115.31 116.06 1ya4 h LEU 388 Ca 0.11 -0.87 -0.01 0.00 0.09 0.00 0.00 57.88 57.20 1ya4 h LEU 388 Cb 0.24 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 1ya4 h LEU 388 CO -0.02 1.71 -1.36 1.33 0.09 0.00 0.00 178.44 180.19 1ya4 n VAL 389 N -3.62 0.05 -3.54 1.22 0.24 -0.88 -4.22 118.33 107.57 1ya4 n VAL 389 Ca -0.20 -0.19 -0.19 0.00 -2.04 0.00 0.00 64.34 61.72 1ya4 n VAL 389 Cb 1.08 0.21 0.06 0.00 -1.47 0.00 0.00 33.84 33.73 1ya4 n VAL 389 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ya4 s ILE 391 N -3.51 4.82 0.46 0.00 1.01 -1.26 -5.07 121.20 117.65 1ya4 s ILE 391 Ca 0.06 -0.02 -0.25 0.00 0.00 0.00 0.00 60.65 60.44 1ya4 s ILE 391 Cb -0.01 -3.20 -0.08 0.00 0.01 0.00 0.00 42.46 39.18 1ya4 s ILE 391 CO 0.77 0.41 1.43 0.00 0.00 0.00 0.00 174.94 177.55 1ya4 s ALA 392 N 0.75 3.21 0.57 9.38 0.00 -1.26 -4.80 121.76 129.61 1ya4 s ALA 392 Ca 0.04 1.46 0.29 0.00 0.00 0.00 0.00 51.96 53.76 1ya4 s ALA 392 Cb -0.13 -3.59 1.47 0.00 0.00 0.00 0.00 23.12 20.87 1ya4 s ALA 392 CO 0.02 -1.22 1.91 -0.22 0.00 0.00 0.00 175.76 176.25 1ya4 h LYS 393 N 2.25 0.00 -0.09 0.00 1.63 -1.97 -0.72 116.57 117.66 1ya4 h LYS 393 Ca -0.51 0.00 -0.15 0.00 -0.85 0.00 0.00 60.65 59.15 1ya4 h LYS 393 Cb 1.27 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.91 1ya4 h LYS 393 CO 0.61 0.00 -0.51 1.05 -3.45 0.00 0.00 179.45 177.15 1ya4 h GLU 394 N 0.00 0.51 0.00 1.90 9.09 -2.04 -3.23 114.58 120.82 1ya4 h GLU 394 Ca 0.25 -0.43 0.00 0.00 0.05 0.00 0.00 59.36 59.24 1ya4 h GLU 394 Cb 1.24 0.09 0.00 0.00 -1.65 0.00 0.00 28.75 28.43 1ya4 h GLU 394 CO -0.00 1.06 0.00 1.28 0.05 0.00 0.00 179.01 181.39 1ya4 n LEU 395 N -4.23 0.38 -0.16 3.06 4.77 -0.36 -3.91 117.00 116.55 1ya4 n LEU 395 Ca -0.08 0.54 -0.03 0.00 -0.03 0.00 0.00 56.01 56.40 1ya4 n LEU 395 Cb 0.61 -0.43 0.03 0.00 -2.33 0.00 0.00 43.42 41.30 1ya4 n LEU 395 CO 0.46 -0.12 0.72 0.40 -1.33 0.00 0.00 177.39 177.53 1ya4 h ILE 396 N 0.00 0.38 -0.70 -0.08 1.08 -1.35 -1.94 117.51 114.90 1ya4 h ILE 396 Ca 0.00 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.56 1ya4 h ILE 396 Cb 0.58 0.38 -0.07 0.00 -3.07 0.00 0.00 36.82 34.64 1ya4 h ILE 396 CO 0.00 0.00 0.35 -0.65 -0.69 0.00 0.00 178.15 177.16 1ya4 h PRO 397 N -0.07 0.58 0.00 2.37 0.11 -1.78 -0.21 132.00 132.99 1ya4 h PRO 397 Ca 0.24 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 66.23 1ya4 h PRO 397 Cb 0.45 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.41 1ya4 h PRO 397 CO -0.56 0.39 -0.44 1.49 -0.21 0.00 0.00 178.00 178.66 1ya4 h GLU 398 N 0.60 0.00 0.07 1.05 4.81 -1.62 -2.83 114.58 116.66 1ya4 h GLU 398 Ca 0.34 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.46 1ya4 h GLU 398 Cb 0.34 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.73 1ya4 h GLU 398 CO -0.26 0.44 -0.51 0.00 -0.73 0.00 0.00 179.01 177.94 1ya4 h ALA 399 N 1.56 -0.01 -0.52 2.92 0.00 -0.77 -2.85 119.26 119.60 1ya4 h ALA 399 Ca -0.00 -0.67 0.15 0.00 0.00 0.00 0.00 54.91 54.39 1ya4 h ALA 399 Cb 0.81 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1ya4 h ALA 399 CO 0.06 0.26 0.38 1.15 0.00 0.00 0.00 179.25 181.10 1ya4 h THR 400 N -0.70 0.72 0.09 0.00 2.02 -1.09 -2.69 112.91 111.25 1ya4 h THR 400 Ca -0.10 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.07 1ya4 h THR 400 Cb 1.33 0.73 0.00 0.00 -1.74 0.00 0.00 68.15 68.48 1ya4 h THR 400 CO 0.05 0.00 -0.04 -0.08 0.37 0.00 0.00 175.52 175.82 1ya4 h GLU 401 N 0.00 -0.11 0.00 6.66 4.57 -1.57 -0.43 114.58 123.70 1ya4 h GLU 401 Ca 0.25 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.44 1ya4 h GLU 401 Cb 1.01 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.62 1ya4 h GLU 401 CO -0.00 0.04 0.66 -0.22 -1.18 0.00 0.00 179.01 178.31 1ya4 h LYS 402 N -1.02 0.00 0.00 1.92 1.63 -1.23 0.35 116.57 118.22 1ya4 h LYS 402 Ca -0.01 0.00 -0.22 0.00 -0.85 0.00 0.00 60.65 59.56 1ya4 h LYS 402 Cb 0.21 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 31.80 1ya4 h LYS 402 CO 0.02 0.00 -1.82 0.66 -3.45 0.00 0.00 179.45 174.86 1ya4 n TYR 403 N -2.67 0.00 1.03 1.91 4.02 -1.13 -4.74 117.16 115.58 1ya4 n TYR 403 Ca -0.01 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 57.99 1ya4 n TYR 403 Cb 0.68 -0.55 0.04 0.00 -0.02 0.00 0.00 39.34 39.50 1ya4 n TYR 403 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1ya4 n LEU 404 N -3.12 1.13 0.00 7.72 4.77 -0.17 -4.39 117.00 122.94 1ya4 n LEU 404 Ca -0.26 -0.42 0.02 0.00 -0.03 0.00 0.00 56.01 55.32 1ya4 n LEU 404 Cb 0.75 -0.07 0.11 0.00 -2.33 0.00 0.00 43.42 41.89 1ya4 n LEU 404 CO 0.11 0.25 0.56 0.61 -1.33 0.00 0.00 177.39 177.59 1ya4 n GLY 405 N 1.46 -0.62 0.00 -0.72 0.00 0.12 -4.59 105.19 100.84 1ya4 n GLY 405 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1ya4 n GLY 405 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ya4 n GLY 406 N -0.94 0.41 1.90 -0.02 0.00 -1.26 -4.92 105.19 100.36 1ya4 n GLY 406 Ca 0.02 -1.13 -0.25 0.00 0.00 0.00 0.00 46.02 44.66 1ya4 n GLY 406 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ya4 n THR 407 N 0.00 0.64 1.23 2.61 -2.24 -1.26 -4.81 114.28 110.44 1ya4 n THR 407 Ca 0.00 -0.29 0.13 0.00 -2.27 0.00 0.00 64.05 61.63 1ya4 n THR 407 Cb 0.00 0.00 0.47 0.00 -2.10 0.00 0.00 70.33 68.70 1ya4 n THR 407 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1ya4 n ASP 408 N 1.27 0.58 -4.60 3.42 8.00 -1.26 -4.73 116.55 119.22 1ya4 n ASP 408 Ca 0.08 -0.47 -0.43 0.00 0.71 0.00 0.00 54.79 54.67 1ya4 n ASP 408 Cb 0.20 0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.27 1ya4 n ASP 408 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1ya4 n ASP 409 N -1.05 3.36 -0.01 -2.24 -0.08 -1.26 -4.87 116.55 110.39 1ya4 n ASP 409 Ca 0.11 0.31 -0.09 0.00 -1.51 0.00 0.00 54.79 53.61 1ya4 n ASP 409 Cb 0.32 -1.54 -0.03 0.00 2.34 0.00 0.00 41.12 42.21 1ya4 n ASP 409 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 1ya4 h THR 410 N 6.92 0.50 -0.25 5.18 1.35 -1.88 0.83 112.91 125.55 1ya4 h THR 410 Ca -0.42 0.00 0.07 0.00 -0.55 0.00 0.00 66.41 65.51 1ya4 h THR 410 Cb 1.24 0.50 -0.01 0.00 -1.73 0.00 0.00 68.15 68.15 1ya4 h THR 410 CO 0.96 0.00 0.27 0.58 -0.25 0.00 0.00 175.52 177.08 1ya4 h VAL 411 N -0.23 0.46 0.17 6.82 2.07 -1.81 0.20 116.25 123.93 1ya4 h VAL 411 Ca 0.11 0.00 -0.26 0.00 0.82 0.00 0.00 66.70 67.37 1ya4 h VAL 411 Cb 0.39 0.79 0.02 0.00 -1.52 0.00 0.00 31.29 30.97 1ya4 h VAL 411 CO -0.29 0.00 -1.22 0.11 0.02 0.00 0.00 177.57 176.19 1ya4 h LYS 412 N 0.00 0.35 -0.71 1.57 1.57 -1.48 -2.78 116.57 115.09 1ya4 h LYS 412 Ca 0.12 -0.60 0.08 0.00 -1.87 0.00 0.00 60.65 58.38 1ya4 h LYS 412 Cb 0.66 0.22 -0.06 0.00 0.08 0.00 0.00 32.23 33.13 1ya4 h LYS 412 CO -0.00 1.29 0.38 0.87 -0.57 0.00 0.00 179.45 181.42 1ya4 h LYS 413 N -0.19 0.66 -0.10 3.15 1.57 0.15 0.15 116.57 121.97 1ya4 h LYS 413 Ca -0.23 -0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.42 1ya4 h LYS 413 Cb 1.84 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.99 1ya4 h LYS 413 CO 0.16 0.44 -0.35 -0.22 -0.57 0.00 0.00 179.45 178.91 1ya4 h LYS 414 N 0.68 0.20 -0.01 3.15 3.11 -0.83 0.27 116.57 123.14 1ya4 h LYS 414 Ca 0.33 -0.08 -0.14 0.00 -2.81 0.00 0.00 60.65 57.95 1ya4 h LYS 414 Cb 0.27 -0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 31.48 1ya4 h LYS 414 CO -0.22 0.53 -0.67 -0.44 -2.81 0.00 0.00 179.45 175.83 1ya4 h ASP 415 N 0.17 0.04 0.62 4.20 3.32 -0.88 -2.66 116.42 121.23 1ya4 h ASP 415 Ca 0.02 -0.03 -0.19 0.00 0.02 0.00 0.00 57.03 56.85 1ya4 h ASP 415 Cb 0.70 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.23 1ya4 h ASP 415 CO 0.05 0.70 -0.86 -0.07 -1.72 0.00 0.00 179.24 177.34 1ya4 h LEU 416 N 0.02 0.21 -0.03 1.55 3.38 -0.26 -2.99 115.31 117.20 1ya4 h LEU 416 Ca -0.01 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.80 1ya4 h LEU 416 Cb 1.19 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 1ya4 h LEU 416 CO 0.09 0.97 -0.04 0.15 0.09 0.00 0.00 178.44 179.71 1ya4 h PHE 417 N 0.09 -0.09 -0.35 1.13 3.57 -0.27 0.91 116.94 121.94 1ya4 h PHE 417 Ca -0.04 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.47 1ya4 h PHE 417 Cb 1.49 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 40.26 1ya4 h PHE 417 CO 0.02 -0.06 0.21 -0.07 -2.23 0.00 0.00 178.31 176.19 1ya4 h LEU 418 N -0.05 0.41 -0.53 0.59 3.38 -1.47 -0.55 115.31 117.09 1ya4 h LEU 418 Ca 0.03 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.83 1ya4 h LEU 418 Cb 0.09 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1ya4 h LEU 418 CO -0.06 0.31 -0.39 0.44 0.09 0.00 0.00 178.44 178.83 1ya4 h ASP 419 N 0.47 0.81 -0.62 -0.43 3.32 -1.24 -1.38 116.42 117.36 1ya4 h ASP 419 Ca 0.13 -0.37 0.12 0.00 0.02 0.00 0.00 57.03 56.92 1ya4 h ASP 419 Cb -0.02 -0.23 -0.09 0.00 0.22 0.00 0.00 39.33 39.22 1ya4 h ASP 419 CO -0.02 1.11 0.16 0.25 -1.72 0.00 0.00 179.24 179.01 1ya4 h LEU 420 N 0.62 0.06 -0.02 1.55 7.12 0.78 -1.02 115.31 124.41 1ya4 h LEU 420 Ca 0.05 0.11 -0.11 0.00 0.13 0.00 0.00 57.88 58.06 1ya4 h LEU 420 Cb 0.95 0.14 0.01 0.00 -0.53 0.00 0.00 40.66 41.22 1ya4 h LEU 420 CO 0.09 0.03 -0.43 0.40 -0.13 0.00 0.00 178.44 178.40 1ya4 h ILE 421 N 0.30 1.46 -0.22 4.05 2.04 -1.28 -3.01 117.51 120.85 1ya4 h ILE 421 Ca 0.33 -1.96 0.06 0.00 1.00 0.00 0.00 64.86 64.29 1ya4 h ILE 421 Cb 0.49 2.59 -0.01 0.00 -0.74 0.00 0.00 36.82 39.15 1ya4 h ILE 421 CO -0.40 0.56 0.24 0.00 0.00 0.00 0.00 178.15 178.56 1ya4 h ALA 422 N 0.32 1.84 0.15 1.87 0.00 -0.90 -0.62 119.26 121.93 1ya4 h ALA 422 Ca -0.05 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.65 1ya4 h ALA 422 Cb 1.15 0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.98 1ya4 h ALA 422 CO 0.09 -0.35 -0.90 -0.44 0.00 0.00 0.00 179.25 177.65 1ya4 h ASP 423 N 0.00 0.53 0.61 0.00 3.32 -1.19 -0.51 116.42 119.18 1ya4 h ASP 423 Ca 0.10 -0.94 -0.13 0.00 0.02 0.00 0.00 57.03 56.09 1ya4 h ASP 423 Cb 0.59 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 1ya4 h ASP 423 CO -0.00 1.43 -0.62 0.58 -1.72 0.00 0.00 179.24 178.91 1ya4 h VAL 424 N -0.27 1.44 0.18 -1.35 2.07 -1.19 0.75 116.25 117.88 1ya4 h VAL 424 Ca -0.15 -2.12 -0.35 0.00 0.82 0.00 0.00 66.70 64.90 1ya4 h VAL 424 Cb 1.70 2.14 0.01 0.00 -1.52 0.00 0.00 31.29 33.61 1ya4 h VAL 424 CO 0.17 0.61 -1.73 0.24 0.02 0.00 0.00 177.57 176.87 1ya4 h MET 425 N 0.01 0.39 0.00 1.57 2.86 -1.26 -3.42 114.93 115.07 1ya4 h MET 425 Ca -0.01 -0.66 0.00 0.00 -2.06 0.00 0.00 59.70 56.97 1ya4 h MET 425 Cb 1.10 0.25 0.00 0.00 0.06 0.00 0.00 31.60 33.00 1ya4 h MET 425 CO 0.08 1.31 -0.22 1.19 1.06 0.00 0.00 176.91 180.32 1ya4 n PHE 426 N -3.58 -0.46 0.00 -0.22 3.01 -0.88 -4.49 117.46 110.84 1ya4 n PHE 426 Ca -0.24 0.08 0.00 0.00 1.01 0.00 0.00 57.45 58.30 1ya4 n PHE 426 Cb 1.07 0.14 0.00 0.00 -0.01 0.00 0.00 39.48 40.69 1ya4 n PHE 426 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ya4 n GLY 427 N 2.90 -0.39 0.37 1.37 0.00 -0.25 -0.57 105.19 108.62 1ya4 n GLY 427 Ca 0.00 0.08 -0.10 0.00 0.00 0.00 0.00 46.02 46.00 1ya4 n GLY 427 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1ya4 h VAL 428 N 0.00 0.17 -0.71 1.61 2.07 -1.14 -2.61 116.25 115.65 1ya4 h VAL 428 Ca 0.00 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.66 1ya4 h VAL 428 Cb 0.00 0.17 -0.14 0.00 -1.52 0.00 0.00 31.29 29.81 1ya4 h VAL 428 CO 0.00 0.00 -0.20 -0.65 0.02 0.00 0.00 177.57 176.74 1ya4 h PRO 429 N -0.35 -0.02 -0.39 1.57 0.11 -1.70 0.26 132.00 131.48 1ya4 h PRO 429 Ca 0.13 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.25 1ya4 h PRO 429 Cb 0.58 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.67 1ya4 h PRO 429 CO -0.49 -0.01 0.24 0.77 -0.21 0.00 0.00 178.00 178.30 1ya4 h SER 430 N -0.02 0.41 -0.35 -2.05 0.02 -0.48 -0.76 113.55 110.32 1ya4 h SER 430 Ca 0.34 -0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.25 1ya4 h SER 430 Cb 0.53 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.96 1ya4 h SER 430 CO -0.74 0.29 0.10 0.58 -1.14 0.00 0.00 176.83 175.92 1ya4 h VAL 431 N 0.49 1.21 -0.97 2.27 2.07 -0.81 -0.46 116.25 120.06 1ya4 h VAL 431 Ca 0.15 -0.70 0.05 0.00 0.82 0.00 0.00 66.70 67.01 1ya4 h VAL 431 Cb -0.03 1.01 -0.06 0.00 -1.52 0.00 0.00 31.29 30.70 1ya4 h VAL 431 CO -0.05 0.24 0.63 0.40 0.02 0.00 0.00 177.57 178.81 1ya4 h ILE 432 N 0.41 1.13 -0.45 4.57 2.04 -0.26 -0.09 117.51 124.86 1ya4 h ILE 432 Ca 0.11 -0.41 -0.10 0.00 1.00 0.00 0.00 64.86 65.46 1ya4 h ILE 432 Cb 0.27 -0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.17 1ya4 h ILE 432 CO -0.00 0.22 -0.12 0.58 0.00 0.00 0.00 178.15 178.83 1ya4 h VAL 433 N 1.19 1.27 -0.09 1.67 2.07 -0.84 -2.16 116.25 119.36 1ya4 h VAL 433 Ca 0.40 -1.24 0.01 0.00 0.82 0.00 0.00 66.70 66.69 1ya4 h VAL 433 Cb 0.07 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1ya4 h VAL 433 CO -0.14 0.42 0.00 0.00 0.02 0.00 0.00 177.57 177.87 1ya4 h ALA 434 N 0.87 0.08 -0.30 1.67 0.00 -0.44 -1.64 119.26 119.50 1ya4 h ALA 434 Ca 0.11 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.08 1ya4 h ALA 434 Cb 0.66 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1ya4 h ALA 434 CO 0.05 -0.46 0.10 0.00 0.00 0.00 0.00 179.25 178.93 1ya4 h ARG 435 N 0.03 0.22 -0.25 0.00 3.08 -0.92 0.72 114.38 117.26 1ya4 h ARG 435 Ca 0.04 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 60.03 1ya4 h ARG 435 Cb 0.05 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1ya4 h ARG 435 CO -0.07 0.14 -0.05 -0.91 -1.07 0.00 0.00 179.97 178.01 1ya4 h ASN 436 N 0.22 0.36 -0.12 7.04 4.21 -1.23 0.59 115.58 126.65 1ya4 h ASN 436 Ca 0.13 -0.07 -0.14 0.00 1.21 0.00 0.00 56.30 57.44 1ya4 h ASN 436 Cb 0.11 -0.09 -0.01 0.00 -1.12 0.00 0.00 38.32 37.21 1ya4 h ASN 436 CO -0.15 0.46 -0.41 -0.74 -1.29 0.00 0.00 177.43 175.31 1ya4 h HIS 437 N 0.37 0.78 -0.13 1.19 2.76 -0.56 -1.92 115.15 117.64 1ya4 h HIS 437 Ca 0.08 -0.23 -0.02 0.00 -2.20 0.00 0.00 60.37 58.00 1ya4 h HIS 437 Cb 0.33 -0.16 -0.00 0.00 1.55 0.00 0.00 27.41 29.12 1ya4 h HIS 437 CO 0.01 0.96 -0.00 -0.09 -1.30 0.00 0.00 177.93 177.50 1ya4 h ARG 438 N 0.53 0.22 0.00 5.26 2.43 -0.14 -2.52 114.38 120.17 1ya4 h ARG 438 Ca 0.04 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1ya4 h ARG 438 Cb 0.94 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.47 1ya4 h ARG 438 CO 0.08 0.47 0.00 -0.25 -1.51 0.00 0.00 179.97 178.76 1ya4 n ASP 439 N -4.78 0.00 0.14 -3.80 8.00 0.13 -1.21 116.55 115.02 1ya4 n ASP 439 Ca -0.06 -0.10 0.12 0.00 0.71 0.00 0.00 54.79 55.46 1ya4 n ASP 439 Cb 0.21 -0.21 0.14 0.00 -0.02 0.00 0.00 41.12 41.25 1ya4 n ASP 439 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ya4 h ALA 440 N 2.84 0.76 0.00 2.24 0.00 -0.91 -3.47 119.26 120.72 1ya4 h ALA 440 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ya4 h ALA 440 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1ya4 h ALA 440 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1ya4 n GLY 441 N 1.20 1.11 3.61 0.00 0.00 -0.35 -4.98 105.19 105.77 1ya4 n GLY 441 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 1ya4 n GLY 441 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ya4 s ALA 442 N -2.00 3.07 -0.09 4.61 0.00 -1.12 -5.06 121.76 121.17 1ya4 s ALA 442 Ca 0.00 -1.05 -0.35 0.00 0.00 0.00 0.00 51.96 50.57 1ya4 s ALA 442 Cb 0.00 -1.14 -0.12 0.00 0.00 0.00 0.00 23.12 21.86 1ya4 s ALA 442 CO 0.00 0.63 1.86 -2.30 0.00 0.00 0.00 175.76 175.95 1ya4 n PRO 443 N 1.35 2.09 -4.48 0.00 -0.02 -1.26 -4.30 135.00 128.37 1ya4 n PRO 443 Ca -0.15 0.77 -0.22 0.00 -2.02 0.00 0.00 63.50 61.88 1ya4 n PRO 443 Cb 0.52 -2.60 -0.14 0.00 -0.02 0.00 0.00 33.50 31.27 1ya4 n PRO 443 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1ya4 s THR 444 N 3.88 1.25 0.03 3.45 2.01 -1.26 -1.37 115.64 123.63 1ya4 s THR 444 Ca 0.93 -0.97 0.00 0.00 0.31 0.00 0.00 61.69 61.96 1ya4 s THR 444 Cb -0.72 -1.10 -0.02 0.00 0.01 0.00 0.00 72.50 70.66 1ya4 s THR 444 CO 0.52 0.12 -0.04 -0.31 -0.69 0.00 0.00 174.62 174.21 1ya4 s TYR 445 N -0.74 0.39 0.09 4.92 2.02 -0.92 0.59 117.35 123.70 1ya4 s TYR 445 Ca 0.04 -0.57 0.03 0.00 -0.37 0.00 0.00 57.07 56.20 1ya4 s TYR 445 Cb -0.08 -0.26 -0.04 0.00 -0.40 0.00 0.00 41.96 41.19 1ya4 s TYR 445 CO 0.01 -0.18 -0.09 -1.64 -1.57 0.00 0.00 175.55 172.09 1ya4 s MET 446 N -1.70 0.80 0.11 -0.62 -1.94 -1.26 -1.22 119.30 113.47 1ya4 s MET 446 Ca -0.12 -1.16 -0.12 0.00 -1.71 0.00 0.00 55.69 52.58 1ya4 s MET 446 Cb -0.08 -0.40 0.01 0.00 2.01 0.00 0.00 34.83 36.37 1ya4 s MET 446 CO -0.01 0.05 0.28 1.52 -0.01 0.00 0.00 175.02 176.84 1ya4 s TYR 447 N -2.66 0.02 -0.22 -0.03 1.13 -1.14 -1.54 117.35 112.90 1ya4 s TYR 447 Ca 0.05 -0.40 -0.04 0.00 -1.41 0.00 0.00 57.07 55.26 1ya4 s TYR 447 Cb -0.01 0.07 0.08 0.00 -1.10 0.00 0.00 41.96 41.00 1ya4 s TYR 447 CO -0.01 -0.62 0.11 -2.00 -2.51 0.00 0.00 175.55 170.51 1ya4 s GLU 448 N -3.84 0.14 -0.20 -3.49 2.12 -0.01 -1.82 118.70 111.60 1ya4 s GLU 448 Ca 0.05 -0.29 -0.29 0.00 0.36 0.00 0.00 54.97 54.79 1ya4 s GLU 448 Cb 0.04 -1.55 -0.00 0.00 0.26 0.00 0.00 34.13 32.87 1ya4 s GLU 448 CO -0.11 -0.82 1.14 0.12 -0.54 0.00 0.00 175.26 175.05 1ya4 s PHE 449 N 2.11 3.13 -0.57 5.30 5.36 -0.51 -1.59 117.98 131.21 1ya4 s PHE 449 Ca 0.05 1.27 0.04 0.00 -0.96 0.00 0.00 56.93 57.34 1ya4 s PHE 449 Cb -0.16 -3.37 0.17 0.00 -0.34 0.00 0.00 43.02 39.32 1ya4 s PHE 449 CO -0.21 -1.01 0.41 1.14 -1.46 0.00 0.00 175.22 174.10 1ya4 s GLN 450 N 3.27 1.78 0.06 10.12 -2.07 -0.24 -0.82 119.66 131.76 1ya4 s GLN 450 Ca 0.49 -2.76 -0.16 0.00 -1.82 0.00 0.00 55.36 51.11 1ya4 s GLN 450 Cb -0.18 -2.58 0.03 0.00 -1.09 0.00 0.00 33.01 29.19 1ya4 s GLN 450 CO 0.10 -1.31 0.36 -0.47 -1.32 0.00 0.00 175.29 172.65 1ya4 s TYR 451 N -0.72 -0.18 -0.35 9.60 5.04 -1.26 -4.53 117.35 124.94 1ya4 s TYR 451 Ca 0.27 0.04 0.02 0.00 -2.44 0.00 0.00 57.07 54.96 1ya4 s TYR 451 Cb -0.03 0.17 0.10 0.00 0.35 0.00 0.00 41.96 42.54 1ya4 s TYR 451 CO -0.16 -0.57 0.07 0.50 -1.34 0.00 0.00 175.55 174.05 1ya4 s ARG 452 N -2.79 1.77 0.54 4.97 3.52 -1.26 -0.70 118.95 124.99 1ya4 s ARG 452 Ca -0.03 -1.77 -0.22 0.00 -0.13 0.00 0.00 55.73 53.58 1ya4 s ARG 452 Cb -0.00 -3.28 -0.06 0.00 -1.56 0.00 0.00 34.95 30.05 1ya4 s ARG 452 CO -0.05 -0.92 1.25 -0.35 -0.81 0.00 0.00 175.30 174.43 1ya4 n PRO 453 N 4.39 1.54 0.00 5.12 -0.04 -1.26 -4.84 135.00 139.91 1ya4 n PRO 453 Ca -0.01 0.57 0.11 0.00 -0.04 0.00 0.00 63.50 64.13 1ya4 n PRO 453 Cb 0.42 -2.44 0.58 0.00 -0.04 0.00 0.00 33.50 32.02 1ya4 n PRO 453 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1ya4 n SER 454 N -0.74 0.00 -0.64 3.54 3.41 -1.26 -2.00 113.62 115.93 1ya4 n SER 454 Ca 0.11 -0.15 0.12 0.00 -0.26 0.00 0.00 58.87 58.69 1ya4 n SER 454 Cb 0.44 -0.24 0.38 0.00 -0.26 0.00 0.00 64.21 64.53 1ya4 n SER 454 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1ya4 n PHE 455 N -1.24 0.15 -0.55 7.33 3.01 -1.26 -4.94 117.46 119.96 1ya4 n PHE 455 Ca 0.12 -0.08 -0.30 0.00 1.01 0.00 0.00 57.45 58.20 1ya4 n PHE 455 Cb 0.16 0.00 0.22 0.00 -0.01 0.00 0.00 39.48 39.86 1ya4 n PHE 455 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1ya4 n SER 456 N 0.51 -2.11 -4.87 4.37 7.64 -0.85 -4.97 113.62 113.34 1ya4 n SER 456 Ca 0.17 -0.17 -0.30 0.00 1.01 0.00 0.00 58.87 59.57 1ya4 n SER 456 Cb 0.40 -1.11 0.03 0.00 -1.01 0.00 0.00 64.21 62.52 1ya4 n SER 456 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1ya4 s SER 457 N -2.14 5.72 0.12 6.43 0.15 -1.26 -4.97 113.70 117.75 1ya4 s SER 457 Ca 0.63 1.26 -0.12 0.00 0.70 0.00 0.00 55.95 58.42 1ya4 s SER 457 Cb -0.19 -2.16 -0.12 0.00 -1.71 0.00 0.00 66.02 61.84 1ya4 s SER 457 CO 0.66 -1.18 1.36 0.44 1.20 0.00 0.00 173.24 175.72 1ya4 h ASP 458 N -0.54 0.97 0.17 5.45 3.32 -1.99 -3.14 116.42 120.67 1ya4 h ASP 458 Ca -0.45 -0.57 0.00 0.00 0.02 0.00 0.00 57.03 56.03 1ya4 h ASP 458 Cb 1.23 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.50 1ya4 h ASP 458 CO 0.63 1.38 0.00 0.24 -1.72 0.00 0.00 179.24 179.76 1ya4 h MET 459 N 0.62 0.00 -6.13 3.56 2.86 -2.03 -3.42 114.93 110.39 1ya4 h MET 459 Ca -0.02 0.00 -0.57 0.00 -2.06 0.00 0.00 59.70 57.05 1ya4 h MET 459 Cb 1.28 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.88 1ya4 h MET 459 CO 0.14 0.00 0.59 0.21 1.06 0.00 0.00 176.91 178.91 1ya4 s LYS 460 N -3.72 4.34 0.65 1.72 2.20 -1.19 -5.00 119.74 118.75 1ya4 s LYS 460 Ca -0.02 1.29 -0.17 0.00 -0.36 0.00 0.00 55.97 56.70 1ya4 s LYS 460 Cb 0.09 -3.58 -0.07 0.00 -1.51 0.00 0.00 37.83 32.76 1ya4 s LYS 460 CO 0.31 -0.41 0.48 -0.35 -0.36 0.00 0.00 175.35 175.02 1ya4 n PRO 461 N 5.46 0.39 0.05 4.03 -0.04 -1.26 -4.84 135.00 138.79 1ya4 n PRO 461 Ca 0.09 0.16 0.12 0.00 -0.04 0.00 0.00 63.50 63.83 1ya4 n PRO 461 Cb 0.48 -1.72 0.48 0.00 -0.04 0.00 0.00 33.50 32.70 1ya4 n PRO 461 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1ya4 n LYS 462 N -0.26 0.12 0.02 0.54 5.02 -1.26 -3.20 118.16 119.14 1ya4 n LYS 462 Ca 0.10 0.17 -0.09 0.00 -2.02 0.00 0.00 58.31 56.48 1ya4 n LYS 462 Cb 0.49 -1.65 -0.13 0.00 -0.02 0.00 0.00 35.03 33.71 1ya4 n LYS 462 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 1ya4 h THR 463 N 0.00 1.25 -2.17 -0.18 1.35 -2.03 -3.44 112.91 107.68 1ya4 h THR 463 Ca 0.00 -3.02 -0.54 0.00 -0.55 0.00 0.00 66.41 62.30 1ya4 h THR 463 Cb 0.52 2.64 -0.02 0.00 -1.73 0.00 0.00 68.15 69.56 1ya4 h THR 463 CO 0.00 0.73 1.41 -0.69 -0.25 0.00 0.00 175.52 176.72 1ya4 s VAL 464 N -2.65 3.25 -0.11 6.82 1.01 -1.19 -4.96 120.40 122.57 1ya4 s VAL 464 Ca -0.03 0.23 0.02 0.00 0.00 0.00 0.00 61.98 62.20 1ya4 s VAL 464 Cb 0.09 -3.44 -0.01 0.00 0.00 0.00 0.00 36.38 33.02 1ya4 s VAL 464 CO 0.82 -0.34 -0.19 -0.63 0.00 0.00 0.00 175.10 174.76 1ya4 s ILE 465 N 8.69 2.51 -0.09 2.22 1.01 -1.26 -4.66 121.20 129.63 1ya4 s ILE 465 Ca 0.85 -0.86 -0.00 0.00 0.00 0.00 0.00 60.65 60.64 1ya4 s ILE 465 Cb -0.22 -2.00 0.00 0.00 0.01 0.00 0.00 42.46 40.25 1ya4 s ILE 465 CO 0.30 0.55 0.07 0.61 0.00 0.00 0.00 174.94 176.47 1ya4 n GLY 466 N 3.46 0.64 3.75 6.18 0.00 0.12 -3.80 105.19 115.54 1ya4 n GLY 466 Ca -0.18 -0.53 -0.30 0.00 0.00 0.00 0.00 46.02 45.00 1ya4 n GLY 466 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ya4 s ASP 467 N -3.05 2.11 -0.05 1.61 2.15 -1.25 0.38 116.67 118.57 1ya4 s ASP 467 Ca 0.02 0.52 -0.30 0.00 0.43 0.00 0.00 52.55 53.22 1ya4 s ASP 467 Cb -0.01 -0.72 -0.06 0.00 -0.30 0.00 0.00 42.92 41.84 1ya4 s ASP 467 CO 0.05 -3.37 1.66 -2.28 -0.17 0.00 0.00 175.17 171.06 1ya4 s HIS 468 N -3.40 1.96 0.00 -5.34 5.04 -1.23 -2.25 115.29 110.08 1ya4 s HIS 468 Ca 0.71 0.17 0.00 0.00 -1.54 0.00 0.00 55.06 54.40 1ya4 s HIS 468 Cb -0.08 -3.93 0.00 0.00 0.04 0.00 0.00 32.58 28.61 1ya4 s HIS 468 CO 0.54 -3.92 0.00 0.41 -2.34 0.00 0.00 174.74 169.44 1ya4 n GLY 469 N 4.14 0.70 0.29 1.59 0.00 -1.26 -4.92 105.19 105.73 1ya4 n GLY 469 Ca 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.10 1ya4 n GLY 469 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ya4 h ASP 470 N 0.00 0.99 0.16 1.61 3.32 -1.80 -2.76 116.42 117.94 1ya4 h ASP 470 Ca 0.00 -0.33 -0.00 0.00 0.02 0.00 0.00 57.03 56.72 1ya4 h ASP 470 Cb 0.00 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.28 1ya4 h ASP 470 CO 0.00 1.11 -0.01 1.05 -1.72 0.00 0.00 179.24 179.67 1ya4 h GLU 471 N 0.88 0.00 -0.81 3.56 9.09 -1.91 -2.97 114.58 122.41 1ya4 h GLU 471 Ca 0.13 0.00 0.16 0.00 0.05 0.00 0.00 59.36 59.71 1ya4 h GLU 471 Cb 0.68 0.00 -0.10 0.00 -1.65 0.00 0.00 28.75 27.68 1ya4 h GLU 471 CO 0.05 0.01 0.35 -0.07 0.05 0.00 0.00 179.01 179.40 1ya4 h LEU 472 N 0.00 0.34 -1.56 3.06 3.38 -1.90 -0.48 115.31 118.15 1ya4 h LEU 472 Ca -0.00 0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1ya4 h LEU 472 Cb 0.10 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1ya4 h LEU 472 CO 0.00 0.10 0.04 -0.26 0.09 0.00 0.00 178.44 178.41 1ya4 h PHE 473 N 0.47 0.32 0.02 1.13 -1.00 -1.73 0.67 116.94 116.83 1ya4 h PHE 473 Ca 0.46 -0.01 -0.00 0.00 2.81 0.00 0.00 57.97 61.23 1ya4 h PHE 473 Cb 0.74 -0.10 0.00 0.00 3.61 0.00 0.00 35.95 40.20 1ya4 h PHE 473 CO -0.15 0.30 -0.01 0.77 -1.61 0.00 0.00 178.31 177.62 1ya4 h SER 474 N 0.32 -0.03 -0.90 2.17 0.02 -1.41 0.16 113.55 113.88 1ya4 h SER 474 Ca 0.08 -0.71 0.10 0.00 -0.84 0.00 0.00 61.79 60.42 1ya4 h SER 474 Cb 0.16 0.01 -0.07 0.00 0.14 0.00 0.00 62.40 62.64 1ya4 h SER 474 CO -0.00 0.74 0.58 0.58 -1.14 0.00 0.00 176.83 177.60 1ya4 h VAL 475 N -0.85 0.97 -0.67 2.27 2.07 -0.81 -2.13 116.25 117.10 1ya4 h VAL 475 Ca -0.00 -0.31 -0.20 0.00 0.82 0.00 0.00 66.70 67.01 1ya4 h VAL 475 Cb 0.74 -0.01 -0.12 0.00 -1.52 0.00 0.00 31.29 30.37 1ya4 h VAL 475 CO 0.01 0.16 0.22 0.49 0.02 0.00 0.00 177.57 178.47 1ya4 n PHE 476 N -4.53 2.21 -3.72 1.57 3.01 0.20 -4.77 117.46 111.44 1ya4 n PHE 476 Ca 0.15 -1.21 -0.28 0.00 1.01 0.00 0.00 57.45 57.12 1ya4 n PHE 476 Cb 0.31 -0.64 0.00 0.00 -0.01 0.00 0.00 39.48 39.14 1ya4 n PHE 476 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ya4 n GLY 477 N -0.28 -0.48 0.36 1.37 0.00 -0.80 -4.56 105.19 100.79 1ya4 n GLY 477 Ca 0.39 0.14 0.18 0.00 0.00 0.00 0.00 46.02 46.72 1ya4 n GLY 477 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ya4 h ALA 478 N 0.96 1.88 -0.28 4.61 0.00 -1.17 -0.77 119.26 124.49 1ya4 h ALA 478 Ca -0.52 0.10 0.08 0.00 0.00 0.00 0.00 54.91 54.57 1ya4 h ALA 478 Cb 1.34 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 1ya4 h ALA 478 CO 0.64 -0.32 0.30 -1.35 0.00 0.00 0.00 179.25 178.52 1ya4 h PRO 479 N 0.57 0.00 -0.01 0.00 0.11 -1.88 0.36 132.00 131.14 1ya4 h PRO 479 Ca 0.62 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.73 1ya4 h PRO 479 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1ya4 h PRO 479 CO -0.41 0.00 -0.38 1.19 -0.21 0.00 0.00 178.00 178.19 1ya4 n PHE 480 N -3.78 0.00 -0.01 0.65 3.01 -0.30 -4.29 117.46 112.74 1ya4 n PHE 480 Ca 0.04 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.49 1ya4 n PHE 480 Cb 0.45 -0.07 -0.02 0.00 -0.01 0.00 0.00 39.48 39.83 1ya4 n PHE 480 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1ya4 n LEU 481 N -0.40 0.00 0.00 4.37 4.77 -0.63 -4.91 117.00 120.20 1ya4 n LEU 481 Ca 0.11 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 56.06 1ya4 n LEU 481 Cb 0.40 0.06 0.01 0.00 -2.33 0.00 0.00 43.42 41.56 1ya4 n LEU 481 CO 0.28 0.06 0.06 0.29 -1.33 0.00 0.00 177.39 176.75 1ya4 n LYS 482 N -2.07 0.57 -4.52 3.23 5.02 0.12 -3.79 118.16 116.71 1ya4 n LYS 482 Ca -0.04 -0.32 -0.24 0.00 -2.02 0.00 0.00 58.31 55.69 1ya4 n LYS 482 Cb 0.56 -0.07 -0.14 0.00 -0.02 0.00 0.00 35.03 35.36 1ya4 n LYS 482 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1ya4 s GLU 483 N -2.67 1.24 0.00 1.97 2.56 -1.26 -4.82 118.70 115.71 1ya4 s GLU 483 Ca 0.08 -0.93 0.00 0.00 0.00 0.00 0.00 54.97 54.11 1ya4 s GLU 483 Cb -0.00 -1.35 0.00 0.00 2.00 0.00 0.00 34.13 34.78 1ya4 s GLU 483 CO 0.05 0.34 0.00 0.41 -0.56 0.00 0.00 175.26 175.50 1ya4 n GLY 484 N 1.74 0.67 3.72 -1.50 0.00 -1.26 -5.04 105.19 103.52 1ya4 n GLY 484 Ca -0.18 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 44.91 1ya4 n GLY 484 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ya4 s ALA 485 N -2.00 3.38 0.84 4.61 0.00 -1.26 -5.00 121.76 122.33 1ya4 s ALA 485 Ca 0.00 0.84 -0.11 0.00 0.00 0.00 0.00 51.96 52.69 1ya4 s ALA 485 Cb 0.00 -3.42 0.10 0.00 0.00 0.00 0.00 23.12 19.80 1ya4 s ALA 485 CO 0.00 -0.38 1.10 -1.54 0.00 0.00 0.00 175.76 174.94 1ya4 s SER 486 N 0.77 3.82 0.59 0.00 1.04 -1.26 -4.81 113.70 113.86 1ya4 s SER 486 Ca 0.56 1.80 0.37 0.00 0.48 0.00 0.00 55.95 59.16 1ya4 s SER 486 Cb -0.29 -2.44 1.77 0.00 0.10 0.00 0.00 66.02 65.16 1ya4 s SER 486 CO 0.31 -2.46 2.14 -0.08 0.98 0.00 0.00 173.24 174.13 1ya4 h GLU 487 N -1.43 0.00 -0.05 4.02 4.57 -2.00 -1.96 114.58 117.74 1ya4 h GLU 487 Ca -0.45 0.00 -0.22 0.00 -1.18 0.00 0.00 59.36 57.50 1ya4 h GLU 487 Cb 1.25 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.85 1ya4 h GLU 487 CO 0.50 0.03 -0.87 1.49 -1.18 0.00 0.00 179.01 178.97 1ya4 h GLU 488 N 0.00 0.53 -0.01 1.92 4.81 -2.00 -2.99 114.58 116.83 1ya4 h GLU 488 Ca -0.00 -0.50 -0.25 0.00 -0.13 0.00 0.00 59.36 58.48 1ya4 h GLU 488 Cb 0.30 0.13 0.01 0.00 0.63 0.00 0.00 28.75 29.82 1ya4 h GLU 488 CO 0.00 1.13 -0.98 1.49 -0.73 0.00 0.00 179.01 179.93 1ya4 h GLU 489 N 0.33 0.59 -0.89 1.92 4.81 -1.77 -2.44 114.58 117.13 1ya4 h GLU 489 Ca -0.07 -0.62 0.03 0.00 -0.13 0.00 0.00 59.36 58.57 1ya4 h GLU 489 Cb 1.49 0.17 -0.05 0.00 0.63 0.00 0.00 28.75 31.00 1ya4 h GLU 489 CO 0.16 1.23 0.59 0.82 -0.73 0.00 0.00 179.01 181.08 1ya4 h ILE 490 N 0.34 1.16 -0.26 2.32 2.04 -1.43 -1.01 117.51 120.67 1ya4 h ILE 490 Ca -0.10 -0.39 -0.12 0.00 1.00 0.00 0.00 64.86 65.25 1ya4 h ILE 490 Cb 1.62 -0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 37.63 1ya4 h ILE 490 CO 0.18 0.21 -0.29 0.03 0.00 0.00 0.00 178.15 178.28 1ya4 h ARG 491 N 1.13 0.66 -0.56 2.37 3.08 -1.47 -2.02 114.38 117.57 1ya4 h ARG 491 Ca 0.35 -0.36 0.07 0.00 0.07 0.00 0.00 59.98 60.11 1ya4 h ARG 491 Cb 0.00 0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.01 1ya4 h ARG 491 CO -0.10 0.97 0.24 1.25 -1.07 0.00 0.00 179.97 181.26 1ya4 h LEU 492 N 0.39 0.29 -0.14 3.04 5.85 -0.86 -0.83 115.31 123.05 1ya4 h LEU 492 Ca 0.04 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 1ya4 h LEU 492 Cb 0.86 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.90 1ya4 h LEU 492 CO 0.07 0.19 0.05 -1.28 -0.34 0.00 0.00 178.44 177.14 1ya4 h SER 493 N 0.45 0.20 -0.73 1.25 0.87 -1.15 -1.57 113.55 112.88 1ya4 h SER 493 Ca 0.27 -0.18 0.13 0.00 -1.23 0.00 0.00 61.79 60.79 1ya4 h SER 493 Cb 0.26 -0.05 -0.09 0.00 -0.44 0.00 0.00 62.40 62.08 1ya4 h SER 493 CO -0.23 0.32 0.27 0.11 -0.53 0.00 0.00 176.83 176.77 1ya4 h LYS 494 N 0.06 0.40 0.45 2.24 1.57 -0.77 -1.47 116.57 119.06 1ya4 h LYS 494 Ca 0.05 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 1ya4 h LYS 494 Cb 0.19 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1ya4 h LYS 494 CO -0.00 0.27 -0.22 1.98 -0.57 0.00 0.00 179.45 180.91 1ya4 h MET 495 N 0.42 -0.58 -0.86 3.15 4.05 -0.96 -2.25 114.93 117.89 1ya4 h MET 495 Ca 0.39 0.04 0.15 0.00 -0.28 0.00 0.00 59.70 60.00 1ya4 h MET 495 Cb 0.59 0.13 -0.09 0.00 -0.80 0.00 0.00 31.60 31.43 1ya4 h MET 495 CO -0.40 -0.29 0.45 0.28 0.23 0.00 0.00 176.91 177.19 1ya4 h VAL 496 N -0.83 0.74 0.01 -5.77 2.07 -0.95 0.84 116.25 112.36 1ya4 h VAL 496 Ca -0.06 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 1ya4 h VAL 496 Cb 0.56 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 1ya4 h VAL 496 CO 0.10 0.12 -0.01 0.24 0.02 0.00 0.00 177.57 178.04 1ya4 h MET 497 N 0.65 -0.02 -0.53 1.57 2.07 -1.29 0.24 114.93 117.61 1ya4 h MET 497 Ca 0.47 0.00 0.11 0.00 -2.07 0.00 0.00 59.70 58.21 1ya4 h MET 497 Cb 0.65 0.00 -0.10 0.00 -1.87 0.00 0.00 31.60 30.28 1ya4 h MET 497 CO -0.36 0.30 -0.17 0.87 1.07 0.00 0.00 176.91 178.63 1ya4 h LYS 498 N -0.34 -0.04 0.16 1.72 1.79 -0.73 0.81 116.57 119.95 1ya4 h LYS 498 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 1ya4 h LYS 498 Cb 0.33 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.97 1ya4 h LYS 498 CO 0.00 -0.02 -0.16 0.74 -1.08 0.00 0.00 179.45 178.93 1ya4 h PHE 499 N -0.04 -0.41 0.40 -1.35 0.05 -0.71 0.18 116.94 115.06 1ya4 h PHE 499 Ca 0.25 0.00 -0.02 0.00 3.82 0.00 0.00 57.97 62.03 1ya4 h PHE 499 Cb 0.43 0.16 0.00 0.00 2.00 0.00 0.00 35.95 38.54 1ya4 h PHE 499 CO -0.47 -0.24 -0.19 -1.49 -0.18 0.00 0.00 178.31 175.73 1ya4 h TRP 500 N -0.35 -0.50 -0.86 -0.55 -0.00 0.54 -2.29 115.95 111.94 1ya4 h TRP 500 Ca 0.00 -0.01 0.08 0.00 -0.00 0.00 0.00 58.89 58.97 1ya4 h TRP 500 Cb 0.33 0.16 -0.06 0.00 -0.00 0.00 0.00 29.16 29.60 1ya4 h TRP 500 CO -0.14 -0.31 0.56 0.00 -0.00 0.00 0.00 178.44 178.55 1ya4 h ALA 501 N 0.06 1.63 -0.63 1.49 0.00 0.71 -0.51 119.26 122.01 1ya4 h ALA 501 Ca -0.05 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1ya4 h ALA 501 Cb 0.41 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1ya4 h ALA 501 CO 0.09 0.21 0.29 -0.91 0.00 0.00 0.00 179.25 178.94 1ya4 h ASN 502 N 0.88 0.83 0.38 0.00 2.35 -0.44 -1.42 115.58 118.17 1ya4 h ASN 502 Ca 0.39 -0.14 -0.01 0.00 -0.55 0.00 0.00 56.30 55.99 1ya4 h ASN 502 Cb 0.34 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 1ya4 h ASN 502 CO -0.15 0.73 -0.29 0.15 -1.65 0.00 0.00 177.43 176.22 1ya4 h PHE 503 N 0.86 -0.76 -1.20 1.19 3.57 -0.57 0.48 116.94 120.51 1ya4 h PHE 503 Ca 0.21 -0.00 0.34 0.00 3.53 0.00 0.00 57.97 62.05 1ya4 h PHE 503 Cb 0.13 0.28 -0.08 0.00 2.79 0.00 0.00 35.95 39.07 1ya4 h PHE 503 CO 0.00 -0.43 0.81 0.00 -2.23 0.00 0.00 178.31 176.47 1ya4 h ALA 504 N -0.13 2.73 0.03 2.41 0.00 -0.95 0.82 119.26 124.17 1ya4 h ALA 504 Ca -0.03 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 1ya4 h ALA 504 Cb 0.57 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1ya4 h ALA 504 CO 0.00 -1.16 -0.57 0.00 0.00 0.00 0.00 179.25 177.52 1ya4 h ARG 505 N 0.18 0.06 0.00 0.00 3.08 0.07 -3.43 114.38 114.33 1ya4 h ARG 505 Ca 0.65 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.60 1ya4 h ARG 505 Cb 2.10 0.04 0.00 0.00 0.08 0.00 0.00 29.97 32.19 1ya4 h ARG 505 CO -0.21 1.05 0.00 0.09 -1.07 0.00 0.00 179.97 179.83 1ya4 n ASN 506 N -4.44 1.47 -2.64 7.04 3.02 0.15 -4.98 115.26 114.87 1ya4 n ASN 506 Ca -0.18 -1.67 -0.20 0.00 -0.03 0.00 0.00 54.58 52.51 1ya4 n ASN 506 Cb 0.61 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.81 1ya4 n ASN 506 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ya4 n GLY 507 N -0.33 -0.37 3.41 7.41 0.00 0.28 -4.96 105.19 110.63 1ya4 n GLY 507 Ca 0.00 0.01 0.02 0.00 0.00 0.00 0.00 46.02 46.05 1ya4 n GLY 507 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ya4 s ASN 508 N -2.72 -1.09 0.41 1.61 3.84 -1.26 -4.92 114.94 110.82 1ya4 s ASN 508 Ca 0.25 1.13 0.10 0.00 0.21 0.00 0.00 52.86 54.56 1ya4 s ASN 508 Cb -0.11 2.10 0.88 0.00 -0.55 0.00 0.00 41.25 43.57 1ya4 s ASN 508 CO 0.31 -0.21 1.98 1.55 -2.79 0.00 0.00 177.10 177.95 1ya4 h PRO 509 N 7.93 0.25 -6.75 0.43 0.13 -1.84 -3.22 132.00 128.94 1ya4 h PRO 509 Ca -0.19 -0.04 -0.54 0.00 -0.87 0.00 0.00 66.00 64.36 1ya4 h PRO 509 Cb 1.13 -0.04 0.21 0.00 0.13 0.00 0.00 31.00 32.43 1ya4 h PRO 509 CO 0.14 0.31 -0.60 0.09 -0.23 0.00 0.00 178.00 177.71 1ya4 n ASN 510 N -4.36 -2.13 0.00 1.44 3.02 -1.26 -4.53 115.26 107.45 1ya4 n ASN 510 Ca -0.00 0.35 0.00 0.00 -0.03 0.00 0.00 54.58 54.90 1ya4 n ASN 510 Cb 0.20 -1.19 0.00 0.00 -0.61 0.00 0.00 39.78 38.18 1ya4 n ASN 510 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ya4 n GLY 511 N 1.58 1.20 3.77 7.41 0.00 -1.26 -4.91 105.19 112.98 1ya4 n GLY 511 Ca 0.07 -0.83 -0.37 0.00 0.00 0.00 0.00 46.02 44.89 1ya4 n GLY 511 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ya4 s GLU 512 N -2.00 3.77 0.00 1.61 -1.05 -1.26 -3.12 118.70 116.65 1ya4 s GLU 512 Ca 0.00 1.72 0.00 0.00 -0.15 0.00 0.00 54.97 56.54 1ya4 s GLU 512 Cb 0.00 -2.38 0.00 0.00 -0.44 0.00 0.00 34.13 31.31 1ya4 s GLU 512 CO 0.00 -0.52 0.00 0.41 0.95 0.00 0.00 175.26 176.10 1ya4 n GLY 513 N 0.39 0.76 3.20 -3.83 0.00 -1.26 -5.05 105.19 99.41 1ya4 n GLY 513 Ca 0.07 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.88 1ya4 n GLY 513 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ya4 s LEU 514 N 0.00 2.23 1.13 0.99 1.43 -1.18 -5.10 118.68 118.18 1ya4 s LEU 514 Ca 0.00 -0.56 -0.18 0.00 -1.03 0.00 0.00 54.13 52.36 1ya4 s LEU 514 Cb 0.00 -0.71 0.13 0.00 0.03 0.00 0.00 46.19 45.64 1ya4 s LEU 514 CO 0.00 0.03 0.10 -2.65 0.23 0.00 0.00 176.35 174.07 1ya4 n PRO 515 N 1.54 -1.82 -3.22 1.29 -0.02 -1.26 -4.77 135.00 126.74 1ya4 n PRO 515 Ca -0.19 -0.52 -0.39 0.00 -2.02 0.00 0.00 63.50 60.39 1ya4 n PRO 515 Cb 0.54 -1.73 -0.06 0.00 -0.02 0.00 0.00 33.50 32.24 1ya4 n PRO 515 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1ya4 s HIS 516 N -2.23 3.66 -0.40 6.00 2.46 -1.26 -4.79 115.29 118.72 1ya4 s HIS 516 Ca 0.56 1.15 -0.04 0.00 0.47 0.00 0.00 55.06 57.21 1ya4 s HIS 516 Cb -0.12 -2.60 0.10 0.00 -0.13 0.00 0.00 32.58 29.83 1ya4 s HIS 516 CO 0.65 0.32 0.20 -0.46 -2.47 0.00 0.00 174.74 172.98 1ya4 s TRP 517 N -0.06 3.51 0.49 3.88 -0.11 -1.26 -4.58 118.94 120.81 1ya4 s TRP 517 Ca 0.30 -2.19 -0.24 0.00 1.22 0.00 0.00 56.10 55.20 1ya4 s TRP 517 Cb -0.18 -3.09 -0.07 0.00 -1.50 0.00 0.00 33.47 28.64 1ya4 s TRP 517 CO 0.16 -0.94 1.40 -0.35 -4.62 0.00 0.00 176.95 172.60 1ya4 n PRO 518 N 4.67 1.99 -2.54 5.86 -0.04 -1.26 -4.85 135.00 138.83 1ya4 n PRO 518 Ca -0.05 0.72 -0.35 0.00 -0.04 0.00 0.00 63.50 63.78 1ya4 n PRO 518 Cb 0.42 -2.60 -0.04 0.00 -0.04 0.00 0.00 33.50 31.24 1ya4 n PRO 518 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1ya4 s GLU 519 N -2.64 3.90 -1.14 0.54 2.12 -1.26 -4.57 118.70 115.65 1ya4 s GLU 519 Ca 0.66 1.41 -0.21 0.00 0.36 0.00 0.00 54.97 57.19 1ya4 s GLU 519 Cb -0.44 -2.22 0.05 0.00 0.26 0.00 0.00 34.13 31.79 1ya4 s GLU 519 CO 0.54 -0.36 1.59 -0.47 -0.54 0.00 0.00 175.26 176.02 1ya4 s TYR 520 N -1.88 2.61 0.00 5.30 5.04 0.20 -4.10 117.35 124.51 1ya4 s TYR 520 Ca 0.65 -1.12 0.00 0.00 -2.44 0.00 0.00 57.07 54.16 1ya4 s TYR 520 Cb -0.18 -4.70 0.00 0.00 0.35 0.00 0.00 41.96 37.43 1ya4 s TYR 520 CO 0.22 -1.87 0.00 0.27 -1.34 0.00 0.00 175.55 172.83 1ya4 n ASN 521 N 8.89 0.21 0.14 4.32 0.23 -1.26 -4.57 115.26 123.21 1ya4 n ASN 521 Ca 0.40 0.00 0.04 0.00 -0.53 0.00 0.00 54.58 54.49 1ya4 n ASN 521 Cb 0.49 0.00 0.47 0.00 -2.08 0.00 0.00 39.78 38.66 1ya4 n ASN 521 CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 1ya4 h GLN 522 N 0.00 0.23 0.00 -3.83 1.08 -1.99 0.32 115.11 110.92 1ya4 h GLN 522 Ca 0.00 -0.03 -0.04 0.00 -1.45 0.00 0.00 58.65 57.13 1ya4 h GLN 522 Cb 0.00 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.38 1ya4 h GLN 522 CO 0.00 0.26 -0.19 0.87 -0.95 0.00 0.00 178.83 178.82 1ya4 h LYS 523 N 0.23 0.00 -4.16 1.46 6.56 -1.94 -3.47 116.57 115.26 1ya4 h LYS 523 Ca 0.05 0.00 -0.21 0.00 -1.06 0.00 0.00 60.65 59.43 1ya4 h LYS 523 Cb 0.17 0.00 0.10 0.00 -0.57 0.00 0.00 32.23 31.93 1ya4 h LYS 523 CO 0.00 0.19 -0.46 0.39 -2.06 0.00 0.00 179.45 177.52 1ya4 n GLU 524 N -4.09 -4.29 -2.73 3.15 1.02 0.10 -3.98 120.64 109.82 1ya4 n GLU 524 Ca -0.02 0.52 -0.40 0.00 -0.02 0.00 0.00 57.16 57.23 1ya4 n GLU 524 Cb 0.26 -4.56 -0.06 0.00 -0.02 0.00 0.00 31.44 27.06 1ya4 n GLU 524 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1ya4 s GLY 525 N -3.65 3.11 0.33 0.62 0.00 -1.26 -0.91 107.32 105.55 1ya4 s GLY 525 Ca 0.10 0.64 0.06 0.00 0.00 0.00 0.00 44.72 45.52 1ya4 s GLY 525 CO 0.45 1.23 0.22 1.58 0.00 0.00 0.00 173.10 176.58 1ya4 n TYR 526 N 1.56 -0.49 -4.20 1.90 0.18 -1.02 -3.84 117.16 111.26 1ya4 n TYR 526 Ca -0.02 -2.53 -0.32 0.00 1.88 0.00 0.00 57.90 56.91 1ya4 n TYR 526 Cb 0.47 0.19 -0.16 0.00 -0.38 0.00 0.00 39.34 39.46 1ya4 n TYR 526 CO 0.00 0.00 0.00 -1.17 -2.08 0.00 0.00 176.86 173.61 1ya4 s LEU 527 N 0.00 2.00 -0.24 -3.48 2.96 -0.59 -1.64 118.68 117.69 1ya4 s LEU 527 Ca 0.32 -0.59 -0.24 0.00 -0.22 0.00 0.00 54.13 53.39 1ya4 s LEU 527 Cb 0.02 -1.38 -0.01 0.00 0.50 0.00 0.00 46.19 45.31 1ya4 s LEU 527 CO 0.22 0.00 0.80 -1.10 -1.32 0.00 0.00 176.35 174.96 1ya4 s GLN 528 N 1.25 4.18 -0.05 1.98 -0.21 -0.92 -0.83 119.66 125.05 1ya4 s GLN 528 Ca 0.03 0.89 0.00 0.00 0.02 0.00 0.00 55.36 56.30 1ya4 s GLN 528 Cb -0.13 -3.64 -0.03 0.00 1.00 0.00 0.00 33.01 30.20 1ya4 s GLN 528 CO -0.10 -0.50 -0.03 0.42 -2.12 0.00 0.00 175.29 172.96 1ya4 s ILE 529 N 2.77 4.01 -5.00 1.08 1.01 -0.62 -2.52 121.20 121.93 1ya4 s ILE 529 Ca 0.34 -0.45 0.00 0.00 0.00 0.00 0.00 60.65 60.54 1ya4 s ILE 529 Cb -0.15 -2.70 0.00 0.00 0.01 0.00 0.00 42.46 39.62 1ya4 s ILE 529 CO 0.08 0.53 0.00 0.61 0.00 0.00 0.00 174.94 176.16 1ya4 n GLY 530 N 1.95 -0.17 0.27 6.18 0.00 -1.26 -1.08 105.19 111.08 1ya4 n GLY 530 Ca -0.17 -1.48 0.21 0.00 0.00 0.00 0.00 46.02 44.58 1ya4 n GLY 530 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ya4 n ALA 531 N -0.41 0.68 -4.01 4.61 0.00 -1.26 -2.57 120.51 117.54 1ya4 n ALA 531 Ca 0.00 0.84 -0.31 0.00 0.00 0.00 0.00 53.44 53.97 1ya4 n ALA 531 Cb 0.00 -0.76 -0.15 0.00 0.00 0.00 0.00 19.45 18.54 1ya4 n ALA 531 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1ya4 s ASN 532 N -4.76 4.63 -0.43 0.00 0.01 -1.26 -5.08 114.94 108.04 1ya4 s ASN 532 Ca -0.08 -1.94 -0.18 0.00 -0.71 0.00 0.00 52.86 49.94 1ya4 s ASN 532 Cb 0.26 -1.55 0.03 0.00 0.41 0.00 0.00 41.25 40.40 1ya4 s ASN 532 CO 0.63 -0.34 0.47 -0.89 -1.51 0.00 0.00 177.10 175.47 1ya4 s THR 533 N 1.00 5.05 0.02 1.60 2.01 -1.06 -4.68 115.64 119.58 1ya4 s THR 533 Ca 0.06 -0.35 -0.16 0.00 0.31 0.00 0.00 61.69 61.55 1ya4 s THR 533 Cb -0.19 -4.09 0.03 0.00 0.01 0.00 0.00 72.50 68.26 1ya4 s THR 533 CO -0.08 -0.49 0.35 0.00 -0.69 0.00 0.00 174.62 173.71 1ya4 s GLN 534 N 2.23 0.80 1.08 4.92 0.00 -1.05 -4.93 119.66 122.71 1ya4 s GLN 534 Ca 0.13 -0.32 -0.14 0.00 -0.00 0.00 0.00 55.36 55.02 1ya4 s GLN 534 Cb -0.17 0.35 0.23 0.00 0.00 0.00 0.00 33.01 33.42 1ya4 s GLN 534 CO 0.14 -0.25 1.09 0.00 0.00 0.00 0.00 175.29 176.27 1ya4 s ALA 535 N -2.04 0.70 0.00 2.60 0.00 -1.26 -2.17 121.76 119.59 1ya4 s ALA 535 Ca -0.08 -0.53 0.00 0.00 0.00 0.00 0.00 51.96 51.34 1ya4 s ALA 535 Cb -0.02 -3.05 0.00 0.00 0.00 0.00 0.00 23.12 20.04 1ya4 s ALA 535 CO 0.00 -3.17 0.00 0.00 0.00 0.00 0.00 175.76 172.60 1ya4 n ALA 536 N -4.42 0.00 -2.92 0.00 0.00 -0.65 -4.79 120.51 107.72 1ya4 n ALA 536 Ca 0.07 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.41 1ya4 n ALA 536 Cb 0.58 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.97 1ya4 n ALA 536 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1ya4 s GLN 537 N 0.63 1.34 -0.99 0.00 -0.21 -1.26 -2.43 119.66 116.74 1ya4 s GLN 537 Ca 0.00 -1.21 -0.27 0.00 0.02 0.00 0.00 55.36 53.90 1ya4 s GLN 537 Cb 0.00 0.42 0.04 0.00 1.00 0.00 0.00 33.01 34.47 1ya4 s GLN 537 CO 0.00 -0.53 0.52 1.63 -2.12 0.00 0.00 175.29 174.79 1ya4 n LYS 538 N -0.30 -0.39 -1.70 2.91 5.02 -0.09 -4.82 118.16 118.79 1ya4 n LYS 538 Ca -0.05 -0.06 -0.44 0.00 -2.02 0.00 0.00 58.31 55.75 1ya4 n LYS 538 Cb 0.63 -1.83 -0.03 0.00 -0.02 0.00 0.00 35.03 33.78 1ya4 n LYS 538 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1ya4 n LEU 539 N -4.27 3.64 -0.26 -0.35 7.94 -1.26 -1.79 117.00 120.65 1ya4 n LEU 539 Ca -0.10 1.10 -0.02 0.00 -1.11 0.00 0.00 56.01 55.88 1ya4 n LEU 539 Cb 0.46 -1.51 -0.01 0.00 0.53 0.00 0.00 43.42 42.89 1ya4 n LEU 539 CO 0.61 -0.09 -0.02 0.29 -1.11 0.00 0.00 177.39 177.06 1ya4 n LYS 540 N 3.03 -1.85 -0.26 1.96 4.76 -1.26 -4.79 118.16 119.75 1ya4 n LYS 540 Ca 0.14 0.33 -0.04 0.00 -2.87 0.00 0.00 58.31 55.86 1ya4 n LYS 540 Cb 0.33 -3.97 0.01 0.00 -1.84 0.00 0.00 35.03 29.56 1ya4 n LYS 540 CO 0.00 0.00 0.00 0.22 -1.37 0.00 0.00 177.40 176.25 1ya4 h ASP 541 N 0.00 -1.29 -0.54 4.39 1.82 -1.71 0.13 116.42 119.22 1ya4 h ASP 541 Ca -0.04 0.26 0.09 0.00 -0.39 0.00 0.00 57.03 56.94 1ya4 h ASP 541 Cb 0.54 0.65 -0.07 0.00 0.68 0.00 0.00 39.33 41.13 1ya4 h ASP 541 CO 0.06 -0.30 0.17 0.50 -1.61 0.00 0.00 179.24 178.06 1ya4 h LYS 542 N -0.12 0.32 -0.38 0.28 3.64 -1.87 -2.21 116.57 116.24 1ya4 h LYS 542 Ca 0.26 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.58 1ya4 h LYS 542 Cb 0.56 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 1ya4 h LYS 542 CO -0.78 0.21 0.05 0.93 -2.27 0.00 0.00 179.45 177.59 1ya4 h GLU 543 N 0.33 0.63 -0.99 1.90 3.07 -1.23 -2.02 114.58 116.26 1ya4 h GLU 543 Ca 0.27 -0.17 0.05 0.00 -0.50 0.00 0.00 59.36 59.01 1ya4 h GLU 543 Cb 0.34 -0.07 -0.06 0.00 -0.84 0.00 0.00 28.75 28.11 1ya4 h GLU 543 CO -0.30 0.69 0.64 0.28 -1.40 0.00 0.00 179.01 178.92 1ya4 h VAL 544 N 0.47 1.12 0.09 3.13 2.07 -0.73 -1.09 116.25 121.30 1ya4 h VAL 544 Ca 0.11 -0.41 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 1ya4 h VAL 544 Cb 0.37 -0.18 0.00 0.00 -1.52 0.00 0.00 31.29 29.97 1ya4 h VAL 544 CO 0.01 0.22 -0.04 0.00 0.02 0.00 0.00 177.57 177.77 1ya4 h ALA 545 N 1.45 -0.12 0.82 1.67 0.00 -1.23 -2.39 119.26 119.47 1ya4 h ALA 545 Ca 0.41 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.17 1ya4 h ALA 545 Cb 0.11 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1ya4 h ALA 545 CO -0.15 -0.46 -0.50 0.35 0.00 0.00 0.00 179.25 178.49 1ya4 h PHE 546 N -0.33 -1.33 -0.87 0.00 3.57 -0.88 -3.14 116.94 113.96 1ya4 h PHE 546 Ca -0.01 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.53 1ya4 h PHE 546 Cb 0.28 0.47 -0.06 0.00 2.79 0.00 0.00 35.95 39.44 1ya4 h PHE 546 CO -0.00 -0.75 0.57 -1.49 -2.23 0.00 0.00 178.31 174.41 1ya4 h TRP 547 N -1.23 1.00 -0.87 0.41 4.06 -1.32 -1.84 115.95 116.16 1ya4 h TRP 547 Ca -0.11 0.03 0.12 0.00 2.06 0.00 0.00 58.89 60.99 1ya4 h TRP 547 Cb 0.98 -0.33 -0.08 0.00 -1.00 0.00 0.00 29.16 28.73 1ya4 h TRP 547 CO -0.10 0.54 0.49 1.15 -3.56 0.00 0.00 178.44 176.96 1ya4 h THR 548 N 1.00 0.84 0.01 1.49 2.02 -1.38 0.02 112.91 116.90 1ya4 h THR 548 Ca 0.37 -0.26 -0.01 0.00 0.77 0.00 0.00 66.41 67.27 1ya4 h THR 548 Cb 0.18 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.60 1ya4 h THR 548 CO -0.13 0.14 -0.05 0.78 0.37 0.00 0.00 175.52 176.63 1ya4 h ASN 549 N 0.77 0.04 -0.66 4.18 2.35 -1.42 -2.56 115.58 118.27 1ya4 h ASN 549 Ca 0.45 -0.91 0.13 0.00 -0.55 0.00 0.00 56.30 55.42 1ya4 h ASN 549 Cb 0.51 -0.01 -0.13 0.00 0.05 0.00 0.00 38.32 38.74 1ya4 h ASN 549 CO -0.30 0.94 -0.24 0.25 -1.65 0.00 0.00 177.43 176.43 1ya4 h LEU 550 N -0.86 -0.86 -1.77 1.61 5.85 -1.08 0.88 115.31 119.09 1ya4 h LEU 550 Ca -0.01 0.22 -0.03 0.00 0.84 0.00 0.00 57.88 58.90 1ya4 h LEU 550 Cb 0.95 0.49 -0.00 0.00 0.37 0.00 0.00 40.66 42.47 1ya4 h LEU 550 CO 0.01 -0.26 -0.15 -0.26 -0.34 0.00 0.00 178.44 177.44 1ya4 h PHE 551 N -0.06 0.00 0.00 1.25 0.05 -1.07 0.13 116.94 117.24 1ya4 h PHE 551 Ca 0.30 0.00 0.00 0.00 3.82 0.00 0.00 57.97 62.09 1ya4 h PHE 551 Cb 0.53 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.48 1ya4 h PHE 551 CO -0.60 0.15 0.00 0.00 -0.18 0.00 0.00 178.31 177.68 1ya4 n ALA 552 N -2.29 1.84 -0.79 2.45 0.00 0.30 -5.10 120.51 116.92 1ya4 n ALA 552 Ca -0.02 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1ya4 n ALA 552 Cb 0.27 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.50 1ya4 n ALA 552 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67