#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ya4 n PRO 23 N 0.00 0.00 -2.43 -1.46 -0.02 -1.26 -4.88 135.00 124.95 1ya4 n PRO 23 Ca 0.00 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 61.07 1ya4 n PRO 23 Cb 0.00 -0.76 -0.04 0.00 -0.02 0.00 0.00 33.50 32.69 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 -0.26 4.53 -0.41 0.52 0.02 -1.26 -4.89 135.00 133.25 1ya4 s PRO 24 Ca 0.47 1.81 0.02 0.00 0.02 0.00 0.00 61.00 63.32 1ya4 s PRO 24 Cb -0.66 -3.25 0.13 0.00 0.02 0.00 0.00 34.50 30.73 1ya4 s PRO 24 CO 0.33 -0.03 0.21 0.08 -0.33 0.00 0.00 177.00 177.27 1ya4 s VAL 25 N -0.13 1.34 0.49 3.83 1.01 -1.26 -0.69 120.40 124.99 1ya4 s VAL 25 Ca 0.51 -2.36 -0.13 0.00 0.00 0.00 0.00 61.98 60.01 1ya4 s VAL 25 Cb -0.31 -1.95 -0.07 0.00 0.00 0.00 0.00 36.38 34.05 1ya4 s VAL 25 CO 0.36 -0.85 0.91 -0.69 0.00 0.00 0.00 175.10 174.83 1ya4 s VAL 26 N 0.58 4.67 -0.25 2.92 1.01 -0.41 -4.86 120.40 124.05 1ya4 s VAL 26 Ca 0.16 0.91 -0.02 0.00 0.00 0.00 0.00 61.98 63.03 1ya4 s VAL 26 Cb -0.23 -3.76 0.02 0.00 0.00 0.00 0.00 36.38 32.41 1ya4 s VAL 26 CO -0.04 -0.72 -0.05 -0.62 0.00 0.00 0.00 175.10 173.68 1ya4 s ASP 27 N -3.34 4.38 0.53 3.32 -1.08 -1.26 -1.10 116.67 118.13 1ya4 s ASP 27 Ca 0.55 -0.85 0.08 0.00 -0.52 0.00 0.00 52.55 51.81 1ya4 s ASP 27 Cb -0.10 -1.68 0.05 0.00 -1.46 0.00 0.00 42.92 39.72 1ya4 s ASP 27 CO 0.36 -0.13 0.57 0.42 0.52 0.00 0.00 175.17 176.91 1ya4 s THR 28 N 1.34 2.08 0.18 1.71 -4.23 -0.19 -4.80 115.64 111.72 1ya4 s THR 28 Ca 0.00 -1.24 -0.13 0.00 -1.18 0.00 0.00 61.69 59.15 1ya4 s THR 28 Cb -0.17 -2.31 0.08 0.00 1.34 0.00 0.00 72.50 71.44 1ya4 s THR 28 CO -0.04 0.00 1.79 0.58 -0.54 0.00 0.00 174.62 176.41 1ya4 h VAL 29 N 0.54 1.19 0.00 2.29 2.07 -1.95 -2.59 116.25 117.80 1ya4 h VAL 29 Ca -0.35 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 66.71 1ya4 h VAL 29 Cb 1.29 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 1ya4 h VAL 29 CO 0.50 0.20 0.00 1.41 0.02 0.00 0.00 177.57 179.70 1ya4 n HIS 30 N -4.60 0.00 -0.18 1.57 8.25 -1.26 -5.00 115.22 114.00 1ya4 n HIS 30 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 1ya4 n HIS 30 Cb 0.08 -0.45 0.00 0.00 1.12 0.00 0.00 29.99 30.74 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 1.35 0.10 3.76 -1.41 0.00 -0.98 -1.51 105.19 106.51 1ya4 n GLY 31 Ca 0.08 -1.79 -0.39 0.00 0.00 0.00 0.00 46.02 43.93 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 -1.38 4.74 -0.07 1.61 1.02 -1.25 -1.02 119.74 123.38 1ya4 s LYS 32 Ca 0.00 1.41 0.03 0.00 0.02 0.00 0.00 55.97 57.43 1ya4 s LYS 32 Cb 0.00 -3.12 0.01 0.00 -0.52 0.00 0.00 37.83 34.20 1ya4 s LYS 32 CO 0.00 0.44 -0.17 0.08 -0.92 0.00 0.00 175.35 174.78 1ya4 s VAL 33 N -1.33 1.48 -0.16 3.17 1.01 -0.26 -1.84 120.40 122.48 1ya4 s VAL 33 Ca 0.44 -0.69 -0.06 0.00 0.00 0.00 0.00 61.98 61.66 1ya4 s VAL 33 Cb -0.23 -1.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.81 1ya4 s VAL 33 CO 0.29 0.43 0.06 -0.22 0.00 0.00 0.00 175.10 175.65 1ya4 s LEU 34 N 0.42 3.82 0.00 3.92 1.98 0.17 -1.29 118.68 127.70 1ya4 s LEU 34 Ca -0.13 0.13 0.00 0.00 -2.89 0.00 0.00 54.13 51.24 1ya4 s LEU 34 Cb -0.15 -1.94 0.00 0.00 0.66 0.00 0.00 46.19 44.75 1ya4 s LEU 34 CO 0.05 0.24 0.00 0.61 -1.89 0.00 0.00 176.35 175.36 1ya4 n GLY 35 N 3.10 5.10 3.19 7.98 0.00 0.13 -0.25 105.19 124.44 1ya4 n GLY 35 Ca -0.17 -1.73 -0.13 0.00 0.00 0.00 0.00 46.02 44.00 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 2.33 0.35 0.32 1.61 -2.85 -0.16 -4.23 119.74 117.11 1ya4 s LYS 36 Ca 0.00 0.49 -0.25 0.00 -1.00 0.00 0.00 55.97 55.21 1ya4 s LYS 36 Cb 0.00 0.11 -0.10 0.00 -2.06 0.00 0.00 37.83 35.78 1ya4 s LYS 36 CO 0.00 -0.07 0.92 -0.06 0.10 0.00 0.00 175.35 176.24 1ya4 s PHE 37 N 0.47 3.65 -0.13 1.78 0.40 -1.26 -0.97 117.98 121.92 1ya4 s PHE 37 Ca -0.02 1.73 -0.06 0.00 -0.60 0.00 0.00 56.93 57.97 1ya4 s PHE 37 Cb -0.04 -2.89 0.06 0.00 0.51 0.00 0.00 43.02 40.66 1ya4 s PHE 37 CO -0.02 0.19 0.29 0.08 0.70 0.00 0.00 175.22 176.45 1ya4 s VAL 38 N -1.67 -0.17 0.12 -0.44 1.01 -0.42 -4.94 120.40 113.90 1ya4 s VAL 38 Ca 0.51 0.18 -0.05 0.00 0.00 0.00 0.00 61.98 62.61 1ya4 s VAL 38 Cb -0.17 -0.45 -0.05 0.00 0.00 0.00 0.00 36.38 35.70 1ya4 s VAL 38 CO 0.22 0.07 0.36 -0.44 0.00 0.00 0.00 175.10 175.32 1ya4 s SER 39 N 1.67 6.50 0.10 3.32 0.01 -1.26 -0.08 113.70 123.96 1ya4 s SER 39 Ca -0.06 0.59 0.07 0.00 1.31 0.00 0.00 55.95 57.86 1ya4 s SER 39 Cb -0.11 -2.09 -0.04 0.00 0.21 0.00 0.00 66.02 63.99 1ya4 s SER 39 CO -0.09 0.09 -0.11 -0.22 0.41 0.00 0.00 173.24 173.32 1ya4 s LEU 40 N -2.47 3.01 -0.27 2.44 2.96 -1.26 -4.98 118.68 118.11 1ya4 s LEU 40 Ca 0.38 -0.39 -0.39 0.00 -0.22 0.00 0.00 54.13 53.51 1ya4 s LEU 40 Cb -0.12 -1.81 -0.15 0.00 0.50 0.00 0.00 46.19 44.61 1ya4 s LEU 40 CO 0.23 0.18 1.80 1.21 -1.32 0.00 0.00 176.35 178.45 1ya4 n GLU 41 N 0.76 1.24 -1.99 1.98 4.07 -1.26 -1.96 120.64 123.48 1ya4 n GLU 41 Ca -0.14 0.45 -0.05 0.00 -0.06 0.00 0.00 57.16 57.36 1ya4 n GLU 41 Cb 0.52 -2.17 -0.00 0.00 -0.06 0.00 0.00 31.44 29.72 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 4.44 0.23 2.75 8.31 0.00 -1.26 -5.04 105.19 114.62 1ya4 n GLY 42 Ca 0.28 -0.69 -0.24 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.25 0.67 0.07 1.61 0.40 -0.83 -5.05 117.98 112.61 1ya4 s PHE 43 Ca 0.00 -0.29 -0.34 0.00 -0.60 0.00 0.00 56.93 55.70 1ya4 s PHE 43 Cb 0.00 -0.82 -0.17 0.00 0.51 0.00 0.00 43.02 42.54 1ya4 s PHE 43 CO 0.00 -0.39 1.52 0.00 0.70 0.00 0.00 175.22 177.05 1ya4 h ALA 44 N 8.32 -1.18 -2.39 5.36 0.00 -1.96 -3.41 119.26 124.01 1ya4 h ALA 44 Ca -0.18 -0.20 -0.54 0.00 0.00 0.00 0.00 54.91 53.99 1ya4 h ALA 44 Cb 1.12 0.66 0.01 0.00 0.00 0.00 0.00 17.79 19.58 1ya4 h ALA 44 CO 0.27 -1.18 0.94 -1.14 0.00 0.00 0.00 179.25 178.14 1ya4 s GLN 45 N -5.67 4.23 0.30 0.00 2.00 -1.26 -5.00 119.66 114.26 1ya4 s GLN 45 Ca -0.17 2.15 -0.25 0.00 -2.00 0.00 0.00 55.36 55.08 1ya4 s GLN 45 Cb 0.03 -3.64 -0.10 0.00 0.80 0.00 0.00 33.01 30.11 1ya4 s GLN 45 CO 0.56 -0.68 0.90 -1.25 -0.50 0.00 0.00 175.29 174.32 1ya4 s PRO 46 N 2.72 4.54 -0.02 1.67 0.04 -1.26 -4.75 135.00 137.93 1ya4 s PRO 46 Ca 0.69 1.25 -0.23 0.00 0.04 0.00 0.00 61.00 62.76 1ya4 s PRO 46 Cb -0.35 -2.84 -0.05 0.00 0.04 0.00 0.00 34.50 31.30 1ya4 s PRO 46 CO 0.29 0.32 0.67 0.08 0.04 0.00 0.00 177.00 178.39 1ya4 s VAL 47 N -1.57 4.94 -0.11 -0.36 1.01 0.89 -4.79 120.40 120.41 1ya4 s VAL 47 Ca 0.48 1.39 -0.28 0.00 0.00 0.00 0.00 61.98 63.58 1ya4 s VAL 47 Cb -0.19 -4.01 -0.02 0.00 0.00 0.00 0.00 36.38 32.17 1ya4 s VAL 47 CO 0.24 0.33 0.93 0.00 0.00 0.00 0.00 175.10 176.60 1ya4 s ALA 48 N 0.28 3.41 -0.15 5.51 0.00 -0.15 -1.30 121.76 129.37 1ya4 s ALA 48 Ca 0.35 0.27 0.02 0.00 0.00 0.00 0.00 51.96 52.59 1ya4 s ALA 48 Cb -0.18 -3.33 0.01 0.00 0.00 0.00 0.00 23.12 19.61 1ya4 s ALA 48 CO 0.18 -0.55 -0.20 0.42 0.00 0.00 0.00 175.76 175.61 1ya4 s ILE 49 N 1.88 2.23 -0.23 0.00 1.01 -0.14 -1.48 121.20 124.47 1ya4 s ILE 49 Ca 0.45 -0.92 0.02 0.00 0.00 0.00 0.00 60.65 60.19 1ya4 s ILE 49 Cb -0.18 -1.91 0.05 0.00 0.01 0.00 0.00 42.46 40.43 1ya4 s ILE 49 CO 0.17 0.54 -0.11 -0.36 0.00 0.00 0.00 174.94 175.18 1ya4 s PHE 50 N 0.85 2.80 -0.21 3.97 0.40 -0.31 -0.98 117.98 124.50 1ya4 s PHE 50 Ca -0.06 -1.91 -0.09 0.00 -0.60 0.00 0.00 56.93 54.27 1ya4 s PHE 50 Cb -0.15 -1.78 -0.04 0.00 0.51 0.00 0.00 43.02 41.55 1ya4 s PHE 50 CO -0.02 -0.81 0.10 -0.51 0.70 0.00 0.00 175.22 174.68 1ya4 s LEU 51 N 1.26 3.91 0.00 -0.37 1.43 0.32 -1.06 118.68 124.17 1ya4 s LEU 51 Ca -0.04 0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.14 1ya4 s LEU 51 Cb -0.18 -2.01 0.00 0.00 0.03 0.00 0.00 46.19 44.03 1ya4 s LEU 51 CO -0.07 0.13 0.00 0.61 0.23 0.00 0.00 176.35 177.25 1ya4 n GLY 52 N 3.85 0.83 3.74 -3.19 0.00 -1.20 -3.16 105.19 106.05 1ya4 n GLY 52 Ca -0.16 -0.52 -0.40 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.78 4.84 -0.08 -0.61 1.01 -0.53 -4.82 121.20 118.23 1ya4 s ILE 53 Ca 0.00 1.57 -0.26 0.00 0.00 0.00 0.00 60.65 61.96 1ya4 s ILE 53 Cb 0.00 -4.09 -0.03 0.00 0.01 0.00 0.00 42.46 38.35 1ya4 s ILE 53 CO 0.00 0.33 0.83 -2.16 0.00 0.00 0.00 174.94 173.93 1ya4 s PRO 54 N 0.23 4.44 0.00 2.79 0.04 -1.26 -0.64 135.00 140.59 1ya4 s PRO 54 Ca 0.38 1.09 0.12 0.00 0.04 0.00 0.00 61.00 62.64 1ya4 s PRO 54 Cb -0.20 -3.49 0.20 0.00 0.04 0.00 0.00 34.50 31.05 1ya4 s PRO 54 CO 0.21 -0.09 1.05 1.97 0.04 0.00 0.00 177.00 180.19 1ya4 n PHE 55 N 4.25 0.21 -3.56 0.56 1.16 -1.10 -4.88 117.46 114.09 1ya4 n PHE 55 Ca 0.03 -0.20 -0.09 0.00 -1.87 0.00 0.00 57.45 55.32 1ya4 n PHE 55 Cb 0.50 -0.01 -0.02 0.00 -1.61 0.00 0.00 39.48 38.35 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 -1.02 -1.62 0.03 1.98 0.00 -1.25 -4.38 121.76 115.49 1ya4 s ALA 56 Ca 0.19 0.49 -0.30 0.00 0.00 0.00 0.00 51.96 52.34 1ya4 s ALA 56 Cb 0.12 0.70 -0.05 0.00 0.00 0.00 0.00 23.12 23.88 1ya4 s ALA 56 CO 0.16 -0.82 1.20 0.21 0.00 0.00 0.00 175.76 176.51 1ya4 s LYS 57 N -3.51 4.42 -0.32 0.00 2.20 0.38 -4.45 119.74 118.45 1ya4 s LYS 57 Ca 0.05 1.74 -0.43 0.00 -0.36 0.00 0.00 55.97 56.97 1ya4 s LYS 57 Cb -0.02 -3.40 -0.19 0.00 -1.51 0.00 0.00 37.83 32.71 1ya4 s LYS 57 CO -0.07 -0.30 1.54 -2.30 -0.36 0.00 0.00 175.35 173.87 1ya4 n PRO 58 N 4.23 0.39 -0.83 4.03 -0.02 -1.26 -4.49 135.00 137.05 1ya4 n PRO 58 Ca 0.09 0.14 -0.11 0.00 -2.02 0.00 0.00 63.50 61.60 1ya4 n PRO 58 Cb 0.46 -1.70 -0.13 0.00 -0.02 0.00 0.00 33.50 32.11 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 3.88 1.72 -2.54 0.52 -0.04 -1.26 -4.87 135.00 132.40 1ya4 n PRO 59 Ca 0.27 -0.88 -0.23 0.00 -0.04 0.00 0.00 63.50 62.62 1ya4 n PRO 59 Cb 0.03 -1.95 0.07 0.00 -0.04 0.00 0.00 33.50 31.61 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 0.01 3.07 0.00 1.53 1.43 -1.26 -3.54 118.68 119.92 1ya4 s LEU 60 Ca 0.55 -0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.56 1ya4 s LEU 60 Cb 0.25 -2.51 0.00 0.00 0.03 0.00 0.00 46.19 43.96 1ya4 s LEU 60 CO -0.00 -1.55 0.00 0.61 0.23 0.00 0.00 176.35 175.64 1ya4 n GLY 61 N -2.66 2.86 0.28 -3.19 0.00 -1.26 -1.10 105.19 100.12 1ya4 n GLY 61 Ca 0.11 -0.13 0.13 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.59 132.00 129.23 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 0.02 0.00 1.28 -0.23 0.00 0.00 178.00 179.07 1ya4 n LEU 63 N -4.00 0.00 -4.77 1.56 4.77 -0.25 -4.74 117.00 109.57 1ya4 n LEU 63 Ca -0.03 0.10 -0.40 0.00 -0.03 0.00 0.00 56.01 55.65 1ya4 n LEU 63 Cb 0.10 -0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 1ya4 n LEU 63 CO 0.29 -0.08 0.85 -0.60 -1.33 0.00 0.00 177.39 176.53 1ya4 s ARG 64 N -2.20 4.38 -1.61 3.23 3.52 -0.98 -2.89 118.95 122.40 1ya4 s ARG 64 Ca 0.10 1.92 0.00 0.00 -0.13 0.00 0.00 55.73 57.62 1ya4 s ARG 64 Cb 0.05 -2.99 0.00 0.00 -1.56 0.00 0.00 34.95 30.45 1ya4 s ARG 64 CO 0.10 -0.06 0.00 1.19 -0.81 0.00 0.00 175.30 175.72 1ya4 n PHE 65 N 0.72 -0.57 -4.25 5.12 3.72 -1.26 -4.99 117.46 115.95 1ya4 n PHE 65 Ca 0.01 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.27 1ya4 n PHE 65 Cb 0.45 -3.33 -0.10 0.00 -0.94 0.00 0.00 39.48 35.55 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 -2.80 1.09 0.62 4.37 -4.23 -1.14 -4.87 115.64 108.67 1ya4 s THR 66 Ca 0.00 -2.04 -0.19 0.00 -1.18 0.00 0.00 61.69 58.28 1ya4 s THR 66 Cb 0.00 -1.91 -0.02 0.00 1.34 0.00 0.00 72.50 71.91 1ya4 s THR 66 CO 0.00 -0.69 1.29 -2.84 -0.54 0.00 0.00 174.62 171.83 1ya4 s PRO 67 N -3.78 2.76 0.39 3.99 0.02 -1.26 -4.94 135.00 132.18 1ya4 s PRO 67 Ca 0.18 2.05 -0.26 0.00 0.02 0.00 0.00 61.00 62.98 1ya4 s PRO 67 Cb 0.03 -1.94 -0.09 0.00 0.02 0.00 0.00 34.50 32.52 1ya4 s PRO 67 CO 0.01 -1.44 1.30 -1.25 -0.33 0.00 0.00 177.00 175.30 1ya4 s PRO 68 N -3.27 4.04 0.11 5.54 0.04 -1.26 -5.04 135.00 135.15 1ya4 s PRO 68 Ca 0.79 2.16 0.06 0.00 0.04 0.00 0.00 61.00 64.05 1ya4 s PRO 68 Cb -0.37 -2.81 -0.04 0.00 0.04 0.00 0.00 34.50 31.33 1ya4 s PRO 68 CO 0.40 -0.44 -0.02 -0.65 0.04 0.00 0.00 177.00 176.33 1ya4 s GLN 69 N -2.17 2.41 0.20 4.56 -0.21 -1.26 -4.97 119.66 118.22 1ya4 s GLN 69 Ca 0.56 -0.94 -0.32 0.00 0.02 0.00 0.00 55.36 54.67 1ya4 s GLN 69 Cb -0.38 -2.44 -0.15 0.00 1.00 0.00 0.00 33.01 31.03 1ya4 s GLN 69 CO 0.49 0.51 1.18 -2.30 -2.12 0.00 0.00 175.29 173.06 1ya4 n PRO 70 N 0.45 1.32 -1.95 2.91 -0.02 -1.26 0.14 135.00 136.59 1ya4 n PRO 70 Ca -0.11 0.47 -0.35 0.00 -2.02 0.00 0.00 63.50 61.49 1ya4 n PRO 70 Cb 0.53 -1.97 0.04 0.00 -0.02 0.00 0.00 33.50 32.07 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 -0.27 2.51 0.15 3.55 0.00 -1.26 -3.97 121.76 122.48 1ya4 s ALA 71 Ca 0.71 0.83 -0.30 0.00 0.00 0.00 0.00 51.96 53.19 1ya4 s ALA 71 Cb -0.80 -3.40 -0.08 0.00 0.00 0.00 0.00 23.12 18.84 1ya4 s ALA 71 CO 0.53 -1.17 1.25 -1.21 0.00 0.00 0.00 175.76 175.16 1ya4 s GLU 72 N -3.57 4.43 0.23 0.00 0.41 -1.26 -4.88 118.70 114.06 1ya4 s GLU 72 Ca 0.73 1.93 -0.30 0.00 -0.41 0.00 0.00 54.97 56.92 1ya4 s GLU 72 Cb -0.26 -3.25 -0.09 0.00 -1.78 0.00 0.00 34.13 28.75 1ya4 s GLU 72 CO 0.35 -0.21 1.15 -1.25 -0.49 0.00 0.00 175.26 174.81 1ya4 s PRO 73 N 0.23 4.55 0.29 0.39 0.04 -1.26 -5.04 135.00 134.20 1ya4 s PRO 73 Ca 0.57 1.85 0.03 0.00 0.04 0.00 0.00 61.00 63.48 1ya4 s PRO 73 Cb -0.34 -3.22 -0.03 0.00 0.04 0.00 0.00 34.50 30.96 1ya4 s PRO 73 CO 0.35 0.04 0.45 1.67 0.04 0.00 0.00 177.00 179.55 1ya4 s TRP 74 N -0.58 3.47 -0.09 0.56 -2.14 -0.57 -5.03 118.94 114.57 1ya4 s TRP 74 Ca 0.49 0.15 -0.16 0.00 2.66 0.00 0.00 56.10 59.24 1ya4 s TRP 74 Cb -0.32 -1.72 -0.28 0.00 -3.10 0.00 0.00 33.47 28.04 1ya4 s TRP 74 CO 0.39 0.29 0.62 0.77 -2.66 0.00 0.00 176.95 176.36 1ya4 h SER 75 N 0.99 0.42 0.00 -2.66 0.02 -1.96 -3.42 113.55 106.94 1ya4 h SER 75 Ca -0.51 -0.87 0.00 0.00 -0.84 0.00 0.00 61.79 59.57 1ya4 h SER 75 Cb 1.22 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.63 1ya4 h SER 75 CO 0.61 1.61 0.00 0.49 -1.14 0.00 0.00 176.83 178.40 1ya4 n PHE 76 N -3.91 0.00 -3.86 3.45 3.01 -1.26 -4.94 117.46 109.95 1ya4 n PHE 76 Ca -0.23 0.00 -0.36 0.00 1.01 0.00 0.00 57.45 57.87 1ya4 n PHE 76 Cb 0.91 0.00 -0.13 0.00 -0.01 0.00 0.00 39.48 40.25 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 3.44 3.17 0.11 -4.37 1.01 -1.26 -3.92 120.40 118.58 1ya4 s VAL 77 Ca 0.00 -1.49 -0.30 0.00 0.00 0.00 0.00 61.98 60.19 1ya4 s VAL 77 Cb 0.00 -2.89 -0.06 0.00 0.00 0.00 0.00 36.38 33.42 1ya4 s VAL 77 CO 0.00 -0.24 1.14 -0.75 0.00 0.00 0.00 175.10 175.25 1ya4 s LYS 78 N 1.25 4.51 -0.87 2.72 2.20 -0.76 -4.84 119.74 123.95 1ya4 s LYS 78 Ca -0.02 1.72 -0.22 0.00 -0.36 0.00 0.00 55.97 57.10 1ya4 s LYS 78 Cb -0.20 -3.32 0.09 0.00 -1.51 0.00 0.00 37.83 32.88 1ya4 s LYS 78 CO -0.01 -0.09 1.18 -0.80 -0.36 0.00 0.00 175.35 175.27 1ya4 s ASN 79 N 0.51 6.44 -1.51 1.43 -0.87 -1.26 -0.66 114.94 119.02 1ya4 s ASN 79 Ca 0.54 -1.47 -0.11 0.00 -1.57 0.00 0.00 52.86 50.24 1ya4 s ASN 79 Cb -0.29 -2.46 -0.00 0.00 -0.02 0.00 0.00 41.25 38.47 1ya4 s ASN 79 CO 0.32 -1.35 2.54 0.00 -2.57 0.00 0.00 177.10 176.05 1ya4 n ALA 80 N 7.71 6.52 -1.40 0.60 0.00 0.65 -4.48 120.51 130.12 1ya4 n ALA 80 Ca 0.17 -3.77 0.07 0.00 0.00 0.00 0.00 53.44 49.91 1ya4 n ALA 80 Cb 0.49 -3.38 0.11 0.00 0.00 0.00 0.00 19.45 16.66 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 4.09 1.37 -3.83 0.00 -2.24 -1.19 -0.53 114.28 111.96 1ya4 n THR 81 Ca 0.64 -1.73 -0.13 0.00 -2.27 0.00 0.00 64.05 60.56 1ya4 n THR 81 Cb 0.31 -0.01 -0.14 0.00 -2.10 0.00 0.00 70.33 68.39 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 -2.40 -0.03 0.10 3.42 0.01 -1.24 -4.93 113.70 108.63 1ya4 s SER 82 Ca 0.24 0.09 -0.33 0.00 1.31 0.00 0.00 55.95 57.27 1ya4 s SER 82 Cb 0.22 0.06 -0.12 0.00 0.21 0.00 0.00 66.02 66.39 1ya4 s SER 82 CO 0.01 -0.05 1.76 -1.22 0.41 0.00 0.00 173.24 174.15 1ya4 n TYR 83 N 3.38 2.47 -1.14 2.43 4.01 -1.26 -4.06 117.16 122.99 1ya4 n TYR 83 Ca -0.16 0.02 -0.29 0.00 -0.16 0.00 0.00 57.90 57.31 1ya4 n TYR 83 Cb 0.57 -2.66 0.18 0.00 -0.31 0.00 0.00 39.34 37.12 1ya4 n TYR 83 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1ya4 s PRO 84 N 2.29 0.44 0.43 -0.72 0.04 -1.26 -4.96 135.00 131.26 1ya4 s PRO 84 Ca 0.82 0.57 -0.22 0.00 0.04 0.00 0.00 61.00 62.22 1ya4 s PRO 84 Cb -0.58 -1.73 -0.10 0.00 0.04 0.00 0.00 34.50 32.13 1ya4 s PRO 84 CO 0.40 -2.74 1.00 -2.14 0.04 0.00 0.00 177.00 173.56 1ya4 s PRO 85 N -4.93 4.12 0.22 0.56 0.02 -1.26 -4.71 135.00 129.01 1ya4 s PRO 85 Ca 0.65 1.31 -0.15 0.00 0.02 0.00 0.00 61.00 62.82 1ya4 s PRO 85 Cb -0.19 -2.30 -0.08 0.00 0.02 0.00 0.00 34.50 31.95 1ya4 s PRO 85 CO 0.58 -0.15 0.65 0.00 -0.33 0.00 0.00 177.00 177.75 1ya4 s MET 86 N -2.92 4.05 0.58 5.54 0.23 0.52 -4.60 119.30 122.70 1ya4 s MET 86 Ca 0.61 0.62 -0.19 0.00 -1.03 0.00 0.00 55.69 55.71 1ya4 s MET 86 Cb -0.15 -2.76 -0.06 0.00 -1.53 0.00 0.00 34.83 30.32 1ya4 s MET 86 CO 0.20 0.36 0.90 0.00 -2.03 0.00 0.00 175.02 174.44 1ya4 n THR 88 N -1.58 1.18 -3.61 0.00 -1.04 -1.17 -4.68 114.28 103.38 1ya4 n THR 88 Ca 0.13 -0.30 -0.02 0.00 -2.04 0.00 0.00 64.05 61.82 1ya4 n THR 88 Cb 0.46 -0.92 -0.01 0.00 -1.82 0.00 0.00 70.33 68.04 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 -0.68 0.35 -0.41 -2.82 -2.07 -1.26 -4.72 119.66 108.05 1ya4 s GLN 89 Ca 0.69 -0.15 -0.35 0.00 -1.82 0.00 0.00 55.36 53.73 1ya4 s GLN 89 Cb -0.80 0.14 -0.12 0.00 -1.09 0.00 0.00 33.01 31.14 1ya4 s GLN 89 CO 0.54 -0.15 2.23 -3.47 -1.32 0.00 0.00 175.29 173.12 1ya4 n ASP 90 N -0.23 1.93 -0.02 12.60 -0.08 -1.26 -4.80 116.55 124.69 1ya4 n ASP 90 Ca -0.03 0.35 0.22 0.00 -1.51 0.00 0.00 54.79 53.82 1ya4 n ASP 90 Cb 0.60 -1.24 0.70 0.00 2.34 0.00 0.00 41.12 43.52 1ya4 n ASP 90 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1ya4 h PRO 91 N 12.64 0.00 0.16 -0.67 0.13 -1.98 0.17 132.00 142.44 1ya4 h PRO 91 Ca -0.24 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.88 1ya4 h PRO 91 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1ya4 h PRO 91 CO 1.06 0.00 -0.07 0.87 -0.23 0.00 0.00 178.00 179.62 1ya4 h LYS 92 N 0.00 -0.20 -0.50 0.86 1.57 -1.99 -1.90 116.57 114.41 1ya4 h LYS 92 Ca 0.28 0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 59.04 1ya4 h LYS 92 Cb 1.15 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.48 1ya4 h LYS 92 CO -0.00 0.22 0.19 0.00 -0.57 0.00 0.00 179.45 179.28 1ya4 h ALA 93 N -0.39 1.40 0.75 3.86 0.00 -1.87 -1.16 119.26 121.85 1ya4 h ALA 93 Ca -0.02 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 1ya4 h ALA 93 Cb 0.51 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.10 1ya4 h ALA 93 CO 0.04 0.45 -0.36 0.78 0.00 0.00 0.00 179.25 180.15 1ya4 h GLY 94 N 0.86 -1.05 0.99 0.00 0.00 -0.74 -2.35 103.07 100.78 1ya4 h GLY 94 Ca 0.17 0.39 0.06 0.00 0.00 0.00 0.00 47.33 47.96 1ya4 h GLY 94 CO -0.02 -0.38 0.51 -1.61 0.00 0.00 0.00 176.54 175.04 1ya4 h GLN 95 N -1.18 0.80 0.15 4.80 4.15 -1.26 -1.40 115.11 121.17 1ya4 h GLN 95 Ca -0.10 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.26 1ya4 h GLN 95 Cb 0.77 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.28 1ya4 h GLN 95 CO 0.17 0.53 -0.07 1.25 -1.93 0.00 0.00 178.83 178.78 1ya4 h LEU 96 N 0.83 -0.17 -1.04 -2.39 5.85 -1.21 -2.51 115.31 114.67 1ya4 h LEU 96 Ca 0.33 -0.10 0.04 0.00 0.84 0.00 0.00 57.88 59.00 1ya4 h LEU 96 Cb 0.24 0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.26 1ya4 h LEU 96 CO -0.11 -0.00 0.64 0.25 -0.34 0.00 0.00 178.44 178.88 1ya4 h LEU 97 N -0.32 1.06 -0.93 2.25 5.85 -1.01 -1.61 115.31 120.60 1ya4 h LEU 97 Ca -0.02 -0.01 0.11 0.00 0.84 0.00 0.00 57.88 58.81 1ya4 h LEU 97 Cb 0.26 -0.24 -0.08 0.00 0.37 0.00 0.00 40.66 40.97 1ya4 h LEU 97 CO 0.03 0.71 0.56 -1.28 -0.34 0.00 0.00 178.44 178.12 1ya4 h SER 98 N 1.22 0.80 -0.08 1.25 0.87 -0.91 -1.94 113.55 114.76 1ya4 h SER 98 Ca 0.40 0.05 -0.06 0.00 -1.23 0.00 0.00 61.79 60.95 1ya4 h SER 98 Cb 0.05 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 61.90 1ya4 h SER 98 CO -0.13 0.43 -0.18 -0.33 -0.53 0.00 0.00 176.83 176.08 1ya4 h GLU 99 N 0.89 0.26 0.00 2.24 5.08 -0.90 -0.88 114.58 121.27 1ya4 h GLU 99 Ca 0.46 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 1ya4 h GLU 99 Cb 0.46 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1ya4 h GLU 99 CO -0.27 0.78 0.00 1.28 -1.00 0.00 0.00 179.01 179.80 1ya4 n LEU 100 N -4.56 0.31 -0.00 1.33 4.77 -0.80 -3.26 117.00 114.79 1ya4 n LEU 100 Ca -0.08 0.60 0.00 0.00 -0.03 0.00 0.00 56.01 56.50 1ya4 n LEU 100 Cb 0.40 -0.59 -0.00 0.00 -2.33 0.00 0.00 43.42 40.90 1ya4 n LEU 100 CO 0.39 -0.53 -0.50 0.49 -1.33 0.00 0.00 177.39 175.90 1ya4 n PHE 101 N -1.87 0.00 -1.66 -1.77 3.01 -0.76 -5.00 117.46 109.41 1ya4 n PHE 101 Ca 0.01 0.00 -0.44 0.00 1.01 0.00 0.00 57.45 58.04 1ya4 n PHE 101 Cb 0.12 -0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.57 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 -1.51 1.64 0.33 4.37 5.66 -0.34 -4.87 114.28 119.55 1ya4 n THR 102 Ca -0.00 -0.41 0.12 0.00 -3.05 0.00 0.00 64.05 60.71 1ya4 n THR 102 Cb 0.01 -1.40 0.21 0.00 -1.55 0.00 0.00 70.33 67.60 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 1.33 3.46 -4.92 1.09 6.94 -1.26 -4.97 115.26 116.93 1ya4 n ASN 103 Ca 0.08 -1.99 -0.20 0.00 -0.02 0.00 0.00 54.58 52.45 1ya4 n ASN 103 Cb 0.33 -0.24 -0.02 0.00 -2.36 0.00 0.00 39.78 37.50 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 -1.50 2.71 0.00 -3.83 1.70 -1.26 -4.22 118.95 112.55 1ya4 s ARG 104 Ca 0.38 -1.35 0.00 0.00 -0.47 0.00 0.00 55.73 54.29 1ya4 s ARG 104 Cb 0.23 -2.55 0.00 0.00 -0.57 0.00 0.00 34.95 32.06 1ya4 s ARG 104 CO 0.32 -0.13 0.76 0.36 -1.08 0.00 0.00 175.30 175.53 1ya4 n LYS 105 N -1.61 0.00 -3.30 3.89 2.85 -1.25 -4.68 118.16 114.07 1ya4 n LYS 105 Ca 0.03 0.41 -0.38 0.00 -1.05 0.00 0.00 58.31 57.32 1ya4 n LYS 105 Cb 0.60 -1.26 -0.06 0.00 -0.65 0.00 0.00 35.03 33.66 1ya4 n LYS 105 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 177.40 175.52 1ya4 s GLU 106 N -2.04 4.21 0.32 -1.58 -1.05 -1.26 -5.03 118.70 112.27 1ya4 s GLU 106 Ca 0.00 0.62 -0.27 0.00 -0.15 0.00 0.00 54.97 55.17 1ya4 s GLU 106 Cb 0.00 -3.31 -0.09 0.00 -0.44 0.00 0.00 34.13 30.29 1ya4 s GLU 106 CO 0.00 0.46 1.01 1.21 0.95 0.00 0.00 175.26 178.90 1ya4 s ASN 107 N -0.45 7.19 -0.29 0.83 3.04 -1.26 -4.99 114.94 119.00 1ya4 s ASN 107 Ca 0.28 2.02 -0.13 0.00 0.04 0.00 0.00 52.86 55.07 1ya4 s ASN 107 Cb -0.18 -2.60 -0.04 0.00 -1.54 0.00 0.00 41.25 36.90 1ya4 s ASN 107 CO 0.16 -0.18 0.26 -0.63 -3.04 0.00 0.00 177.10 173.66 1ya4 s ILE 108 N -1.46 5.26 0.23 -5.21 -1.09 -1.26 -5.04 121.20 112.63 1ya4 s ILE 108 Ca 0.50 0.23 -0.30 0.00 -2.23 0.00 0.00 60.65 58.85 1ya4 s ILE 108 Cb -0.24 -3.61 -0.09 0.00 -1.58 0.00 0.00 42.46 36.94 1ya4 s ILE 108 CO 0.30 0.17 1.31 -2.16 -1.23 0.00 0.00 174.94 173.33 1ya4 s PRO 109 N 1.86 4.39 0.45 2.79 0.04 -1.26 -5.00 135.00 138.27 1ya4 s PRO 109 Ca 0.09 2.09 0.07 0.00 0.04 0.00 0.00 61.00 63.29 1ya4 s PRO 109 Cb -0.16 -3.16 -0.02 0.00 0.04 0.00 0.00 34.50 31.20 1ya4 s PRO 109 CO 0.11 -0.22 0.31 -0.51 0.04 0.00 0.00 177.00 176.72 1ya4 s LEU 110 N -0.54 3.09 0.17 -3.56 1.43 -1.26 -5.13 118.68 112.88 1ya4 s LEU 110 Ca 0.55 -1.01 0.08 0.00 -1.03 0.00 0.00 54.13 52.71 1ya4 s LEU 110 Cb -0.37 -1.58 -0.04 0.00 0.03 0.00 0.00 46.19 44.22 1ya4 s LEU 110 CO 0.42 -0.74 -0.04 -0.75 0.23 0.00 0.00 176.35 175.46 1ya4 s LYS 111 N -4.09 2.25 -0.01 1.70 2.47 -1.26 -4.97 119.74 115.83 1ya4 s LYS 111 Ca 0.41 -1.16 -0.02 0.00 -1.56 0.00 0.00 55.97 53.64 1ya4 s LYS 111 Cb -0.00 -2.28 -0.04 0.00 -1.46 0.00 0.00 37.83 34.05 1ya4 s LYS 111 CO 0.24 0.45 0.13 -0.51 0.16 0.00 0.00 175.35 175.81 1ya4 s LEU 112 N -2.85 4.12 -0.26 5.43 1.43 -1.26 -0.35 118.68 124.94 1ya4 s LEU 112 Ca 0.26 0.25 -0.29 0.00 -1.03 0.00 0.00 54.13 53.32 1ya4 s LEU 112 Cb -0.09 -2.40 0.18 0.00 0.03 0.00 0.00 46.19 43.90 1ya4 s LEU 112 CO 0.17 0.28 1.28 -0.55 0.23 0.00 0.00 176.35 177.75 1ya4 s SER 113 N -1.78 -0.12 0.49 2.29 0.15 -1.07 -4.91 113.70 108.74 1ya4 s SER 113 Ca 0.24 0.15 0.29 0.00 0.70 0.00 0.00 55.95 57.33 1ya4 s SER 113 Cb -0.12 0.12 1.05 0.00 -1.71 0.00 0.00 66.02 65.35 1ya4 s SER 113 CO 0.15 -0.11 1.87 -0.33 1.20 0.00 0.00 173.24 176.03 1ya4 h GLU 114 N 2.30 0.00 -5.48 5.44 5.08 -1.95 -3.11 114.58 116.86 1ya4 h GLU 114 Ca -0.12 0.00 -0.65 0.00 -1.00 0.00 0.00 59.36 57.59 1ya4 h GLU 114 Cb 1.18 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.29 1ya4 h GLU 114 CO 0.24 0.08 1.03 0.34 -1.00 0.00 0.00 179.01 179.70 1ya4 s ASP 115 N -5.94 6.52 0.00 1.42 2.15 -1.26 -4.45 116.67 115.11 1ya4 s ASP 115 Ca 0.02 -1.67 0.00 0.00 0.43 0.00 0.00 52.55 51.33 1ya4 s ASP 115 Cb 0.09 -2.46 0.00 0.00 -0.30 0.00 0.00 42.92 40.24 1ya4 s ASP 115 CO 0.60 -1.28 0.08 0.00 -0.17 0.00 0.00 175.17 174.39 1ya4 n LEU 117 N -0.00 4.23 -4.41 0.00 4.77 -1.26 -4.71 117.00 115.61 1ya4 n LEU 117 Ca 0.00 -3.47 -0.20 0.00 -0.03 0.00 0.00 56.01 52.30 1ya4 n LEU 117 Cb 0.27 -1.64 -0.10 0.00 -2.33 0.00 0.00 43.42 39.62 1ya4 n LEU 117 CO 0.00 -0.66 -0.25 -0.31 -1.33 0.00 0.00 177.39 174.84 1ya4 s TYR 118 N 7.10 1.79 0.03 -1.77 1.51 -1.26 -2.73 117.35 122.02 1ya4 s TYR 118 Ca 0.60 -1.10 -0.09 0.00 -1.01 0.00 0.00 57.07 55.47 1ya4 s TYR 118 Cb 0.05 -1.12 0.00 0.00 -0.11 0.00 0.00 41.96 40.78 1ya4 s TYR 118 CO 0.09 -0.17 0.19 -0.48 -1.11 0.00 0.00 175.55 174.07 1ya4 s LEU 119 N -3.44 1.37 0.06 -1.29 0.05 0.19 -2.70 118.68 112.91 1ya4 s LEU 119 Ca 0.35 -0.29 0.06 0.00 0.05 0.00 0.00 54.13 54.30 1ya4 s LEU 119 Cb 0.07 0.92 -0.04 0.00 -2.05 0.00 0.00 46.19 45.09 1ya4 s LEU 119 CO 0.15 -0.50 -0.12 0.20 -0.55 0.00 0.00 176.35 175.53 1ya4 s ASN 120 N -1.86 4.28 -0.03 1.48 0.01 0.39 -1.45 114.94 117.77 1ya4 s ASN 120 Ca -0.08 -0.33 0.05 0.00 -0.71 0.00 0.00 52.86 51.79 1ya4 s ASN 120 Cb -0.03 -0.84 -0.01 0.00 0.41 0.00 0.00 41.25 40.78 1ya4 s ASN 120 CO -0.02 0.23 -0.18 -0.63 -1.51 0.00 0.00 177.10 174.99 1ya4 s ILE 121 N -1.06 1.47 -0.29 0.60 1.01 -0.22 -1.10 121.20 121.60 1ya4 s ILE 121 Ca 0.18 -0.77 0.01 0.00 0.00 0.00 0.00 60.65 60.07 1ya4 s ILE 121 Cb -0.11 -1.24 0.09 0.00 0.01 0.00 0.00 42.46 41.21 1ya4 s ILE 121 CO 0.09 0.42 0.05 -0.31 0.00 0.00 0.00 174.94 175.19 1ya4 s TYR 122 N -0.21 2.30 -0.17 3.97 1.51 0.67 -1.16 117.35 124.26 1ya4 s TYR 122 Ca 0.02 -1.97 -0.01 0.00 -1.01 0.00 0.00 57.07 54.10 1ya4 s TYR 122 Cb -0.09 -1.92 -0.00 0.00 -0.11 0.00 0.00 41.96 39.84 1ya4 s TYR 122 CO 0.01 -0.85 -0.13 -0.08 -1.11 0.00 0.00 175.55 173.38 1ya4 s THR 123 N 1.41 2.77 -2.02 -0.71 -1.32 -0.55 -0.43 115.64 114.81 1ya4 s THR 123 Ca 0.06 -0.72 0.29 0.00 -1.21 0.00 0.00 61.69 60.10 1ya4 s THR 123 Cb -0.18 -2.19 0.54 0.00 -1.51 0.00 0.00 72.50 69.15 1ya4 s THR 123 CO -0.15 0.50 1.84 -0.81 -2.21 0.00 0.00 174.62 173.78 1ya4 n PRO 124 N 4.25 1.10 -2.06 7.08 -0.04 -1.26 -0.98 135.00 143.09 1ya4 n PRO 124 Ca -0.19 -0.48 -0.33 0.00 -0.04 0.00 0.00 63.50 62.46 1ya4 n PRO 124 Cb 0.51 -1.49 0.01 0.00 -0.04 0.00 0.00 33.50 32.49 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 -2.24 2.71 -0.64 0.55 0.00 -1.26 -4.84 121.76 116.04 1ya4 s ALA 125 Ca 0.35 0.46 -0.23 0.00 0.00 0.00 0.00 51.96 52.54 1ya4 s ALA 125 Cb 0.21 -3.25 0.06 0.00 0.00 0.00 0.00 23.12 20.13 1ya4 s ALA 125 CO 0.42 -0.83 0.98 0.34 0.00 0.00 0.00 175.76 176.66 1ya4 s ASP 126 N -2.62 6.20 0.00 0.00 2.15 -1.26 -4.73 116.67 116.40 1ya4 s ASP 126 Ca 0.65 -0.84 0.00 0.00 0.43 0.00 0.00 52.55 52.79 1ya4 s ASP 126 Cb -0.17 -2.43 0.02 0.00 -0.30 0.00 0.00 42.92 40.04 1ya4 s ASP 126 CO 0.35 -1.42 0.73 0.18 -0.17 0.00 0.00 175.17 174.85 1ya4 n LEU 127 N 7.75 0.00 -0.29 -1.34 4.77 -1.26 -1.36 117.00 125.27 1ya4 n LEU 127 Ca -0.03 0.22 0.13 0.00 -0.03 0.00 0.00 56.01 56.30 1ya4 n LEU 127 Cb 0.46 -0.22 0.60 0.00 -2.33 0.00 0.00 43.42 41.93 1ya4 n LEU 127 CO 0.64 -0.22 0.90 0.35 -1.33 0.00 0.00 177.39 177.74 1ya4 n THR 128 N -1.22 0.05 -4.14 -5.08 -2.24 -1.26 -4.85 114.28 95.54 1ya4 n THR 128 Ca 0.00 -0.17 -0.09 0.00 -2.27 0.00 0.00 64.05 61.53 1ya4 n THR 128 Cb 0.00 0.07 -0.10 0.00 -2.10 0.00 0.00 70.33 68.21 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 -1.95 0.84 0.42 -0.78 1.02 -0.47 -5.13 119.74 113.70 1ya4 s LYS 129 Ca 0.37 -1.38 -0.24 0.00 0.02 0.00 0.00 55.97 54.74 1ya4 s LYS 129 Cb 0.19 0.20 -0.08 0.00 -0.52 0.00 0.00 37.83 37.62 1ya4 s LYS 129 CO 0.30 -0.21 1.11 0.21 -0.92 0.00 0.00 175.35 175.85 1ya4 s LYS 130 N -4.00 4.01 -0.25 1.68 2.20 -1.26 -4.85 119.74 117.26 1ya4 s LYS 130 Ca 0.19 1.67 -0.18 0.00 -0.36 0.00 0.00 55.97 57.29 1ya4 s LYS 130 Cb 0.08 -2.53 0.07 0.00 -1.51 0.00 0.00 37.83 33.93 1ya4 s LYS 130 CO -0.01 -0.31 0.65 -0.80 -0.36 0.00 0.00 175.35 174.51 1ya4 s ASN 131 N -1.39 -0.80 -0.52 1.43 0.01 -1.26 -5.01 114.94 107.39 1ya4 s ASN 131 Ca 0.59 1.37 0.07 0.00 -0.71 0.00 0.00 52.86 54.19 1ya4 s ASN 131 Cb -0.26 1.30 0.27 0.00 0.41 0.00 0.00 41.25 42.97 1ya4 s ASN 131 CO 0.32 -0.23 0.70 0.54 -1.51 0.00 0.00 177.10 176.92 1ya4 n ARG 132 N 3.66 1.87 -2.77 -0.60 3.00 -1.23 -3.16 116.66 117.44 1ya4 n ARG 132 Ca -0.18 -4.10 -0.34 0.00 -0.01 0.00 0.00 57.85 53.22 1ya4 n ARG 132 Cb 0.57 -1.86 -0.06 0.00 0.00 0.00 0.00 32.46 31.11 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 -2.17 3.99 0.53 0.55 1.43 -0.07 -4.13 118.68 118.80 1ya4 s LEU 133 Ca 0.39 1.76 -0.22 0.00 -1.03 0.00 0.00 54.13 55.03 1ya4 s LEU 133 Cb 0.19 -4.46 -0.06 0.00 0.03 0.00 0.00 46.19 41.89 1ya4 s LEU 133 CO -0.07 -0.39 1.31 -0.81 0.23 0.00 0.00 176.35 176.63 1ya4 n PRO 134 N -0.51 1.68 -4.28 1.29 -0.04 -1.26 -0.35 135.00 131.53 1ya4 n PRO 134 Ca 0.07 0.61 -0.35 0.00 -0.04 0.00 0.00 63.50 63.79 1ya4 n PRO 134 Cb 0.53 -2.51 -0.09 0.00 -0.04 0.00 0.00 33.50 31.39 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 -1.29 4.49 -0.22 0.52 1.01 -0.99 -1.28 120.40 122.64 1ya4 s VAL 135 Ca 0.70 -0.18 0.01 0.00 0.00 0.00 0.00 61.98 62.51 1ya4 s VAL 135 Cb -0.43 -2.91 0.05 0.00 0.00 0.00 0.00 36.38 33.09 1ya4 s VAL 135 CO 0.51 0.59 -0.08 -0.04 0.00 0.00 0.00 175.10 176.08 1ya4 s MET 136 N -0.75 1.86 -0.31 2.72 -1.94 0.43 -0.60 119.30 120.71 1ya4 s MET 136 Ca 0.12 -0.98 -0.14 0.00 -1.71 0.00 0.00 55.69 52.98 1ya4 s MET 136 Cb -0.12 -2.56 -0.03 0.00 2.01 0.00 0.00 34.83 34.13 1ya4 s MET 136 CO 0.02 -0.53 0.32 0.08 -0.01 0.00 0.00 175.02 174.91 1ya4 s VAL 137 N 1.36 5.21 -0.26 -6.03 1.01 0.21 -0.37 120.40 121.52 1ya4 s VAL 137 Ca -0.05 0.19 -0.11 0.00 0.00 0.00 0.00 61.98 62.02 1ya4 s VAL 137 Cb -0.18 -3.72 -0.05 0.00 0.00 0.00 0.00 36.38 32.43 1ya4 s VAL 137 CO -0.07 0.05 0.17 0.86 0.00 0.00 0.00 175.10 176.12 1ya4 s TRP 138 N 1.96 3.26 -0.62 5.22 -0.11 0.12 -1.46 118.94 127.31 1ya4 s TRP 138 Ca 0.11 0.16 -0.12 0.00 1.22 0.00 0.00 56.10 57.47 1ya4 s TRP 138 Cb -0.16 -2.32 0.16 0.00 -1.50 0.00 0.00 33.47 29.64 1ya4 s TRP 138 CO 0.11 -0.05 0.54 0.42 -4.62 0.00 0.00 176.95 173.34 1ya4 s ILE 139 N 1.41 4.92 1.05 5.86 1.01 -0.51 -2.55 121.20 132.39 1ya4 s ILE 139 Ca 0.07 -2.02 -0.16 0.00 0.00 0.00 0.00 60.65 58.55 1ya4 s ILE 139 Cb -0.15 -4.14 0.07 0.00 0.01 0.00 0.00 42.46 38.26 1ya4 s ILE 139 CO 0.08 -0.89 0.18 0.00 0.00 0.00 0.00 174.94 174.31 1ya4 n HIS 140 N 4.60 -1.46 -3.95 3.97 1.44 -1.26 -3.56 115.22 114.99 1ya4 n HIS 140 Ca -0.02 0.18 -0.12 0.00 -2.01 0.00 0.00 57.72 55.75 1ya4 n HIS 140 Cb 0.42 -1.66 -0.01 0.00 0.12 0.00 0.00 29.99 28.86 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 1.79 3.40 0.00 -1.39 0.00 -1.20 -3.53 105.19 104.27 1ya4 n GLY 141 Ca 0.03 -2.25 0.00 0.00 0.00 0.00 0.00 46.02 43.81 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 2.48 0.00 2.38 -0.02 0.00 -1.25 -4.30 105.19 104.48 1ya4 n GLY 142 Ca -0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.26 2.59 -0.02 0.00 -1.26 -0.10 105.19 106.13 1ya4 n GLY 143 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.70 -1.34 0.00 0.99 4.77 -1.26 -4.75 117.00 112.72 1ya4 n LEU 144 Ca -0.15 0.47 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 1ya4 n LEU 144 Cb 0.59 -2.79 0.00 0.00 -2.33 0.00 0.00 43.42 38.90 1ya4 n LEU 144 CO 0.18 -1.06 -0.43 0.23 -1.33 0.00 0.00 177.39 174.98 1ya4 n MET 145 N -2.15 0.17 -4.06 3.23 2.81 0.86 -1.12 117.12 116.85 1ya4 n MET 145 Ca -0.19 0.00 -0.22 0.00 -1.81 0.00 0.00 57.70 55.48 1ya4 n MET 145 Cb 0.66 -0.93 -0.06 0.00 -0.71 0.00 0.00 33.22 32.18 1ya4 n MET 145 CO 0.00 0.00 0.00 1.33 1.51 0.00 0.00 175.97 178.81 1ya4 n VAL 146 N -2.33 0.00 0.00 2.03 0.24 0.41 -4.33 118.33 114.34 1ya4 n VAL 146 Ca 0.00 -2.02 0.00 0.00 -2.04 0.00 0.00 64.34 60.28 1ya4 n VAL 146 Cb 0.43 0.70 0.00 0.00 -1.47 0.00 0.00 33.84 33.50 1ya4 n VAL 146 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ya4 n GLY 147 N -0.32 2.25 3.68 7.63 0.00 -1.26 -3.96 105.19 113.21 1ya4 n GLY 147 Ca -0.06 -2.04 -0.09 0.00 0.00 0.00 0.00 46.02 43.83 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 -2.30 -1.38 -0.28 4.61 0.00 -1.26 -4.70 121.76 116.45 1ya4 s ALA 148 Ca 0.00 0.03 0.22 0.00 0.00 0.00 0.00 51.96 52.21 1ya4 s ALA 148 Cb 0.00 0.86 -0.08 0.00 0.00 0.00 0.00 23.12 23.90 1ya4 s ALA 148 CO 0.00 -0.93 0.88 0.00 0.00 0.00 0.00 175.76 175.71 1ya4 n ALA 149 N -0.43 2.85 0.27 0.00 0.00 -1.26 -3.94 120.51 118.00 1ya4 n ALA 149 Ca -0.09 -0.36 0.16 0.00 0.00 0.00 0.00 53.44 53.14 1ya4 n ALA 149 Cb 0.61 -0.97 0.53 0.00 0.00 0.00 0.00 19.45 19.62 1ya4 n ALA 149 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1ya4 h SER 150 N 0.00 0.00 -0.27 0.00 0.02 -1.92 -3.12 113.55 108.26 1ya4 h SER 150 Ca 0.00 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 60.98 1ya4 h SER 150 Cb 0.92 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.44 1ya4 h SER 150 CO 0.00 0.00 0.10 0.74 -1.14 0.00 0.00 176.83 176.53 1ya4 h THR 151 N 0.00 0.94 -3.36 -2.27 2.02 -1.94 -3.41 112.91 104.89 1ya4 h THR 151 Ca 0.00 -0.08 -0.60 0.00 0.77 0.00 0.00 66.41 66.50 1ya4 h THR 151 Cb 0.66 0.69 -0.09 0.00 -1.74 0.00 0.00 68.15 67.67 1ya4 h THR 151 CO 0.00 0.04 0.43 -0.31 0.37 0.00 0.00 175.52 176.05 1ya4 s TYR 152 N -6.17 3.26 -0.10 3.16 1.51 -1.18 -4.14 117.35 113.69 1ya4 s TYR 152 Ca -0.13 0.99 -0.17 0.00 -1.01 0.00 0.00 57.07 56.75 1ya4 s TYR 152 Cb 0.10 -3.12 -0.05 0.00 -0.11 0.00 0.00 41.96 38.79 1ya4 s TYR 152 CO 0.70 -0.47 0.43 0.34 -1.11 0.00 0.00 175.55 175.43 1ya4 s ASP 153 N 1.47 6.66 0.00 2.29 3.68 -1.26 -4.97 116.67 124.54 1ya4 s ASP 153 Ca 0.33 0.78 0.23 0.00 2.13 0.00 0.00 52.55 56.03 1ya4 s ASP 153 Cb -0.15 -2.26 0.08 0.00 -1.45 0.00 0.00 42.92 39.14 1ya4 s ASP 153 CO 0.10 0.09 1.15 0.61 0.13 0.00 0.00 175.17 177.24 1ya4 n GLY 154 N 2.99 0.07 0.40 2.66 0.00 -1.26 -4.57 105.19 105.47 1ya4 n GLY 154 Ca -0.09 -0.63 -0.06 0.00 0.00 0.00 0.00 46.02 45.23 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 2.54 -1.70 0.21 0.99 5.85 -1.93 -0.17 115.31 121.09 1ya4 h LEU 155 Ca 0.00 0.30 -0.01 0.00 0.84 0.00 0.00 57.88 59.01 1ya4 h LEU 155 Cb 0.76 0.80 0.00 0.00 0.37 0.00 0.00 40.66 42.59 1ya4 h LEU 155 CO 0.00 -0.28 -0.11 0.00 -0.34 0.00 0.00 178.44 177.70 1ya4 h ALA 156 N 0.87 -1.03 -0.91 1.25 0.00 -1.85 -1.65 119.26 115.95 1ya4 h ALA 156 Ca 0.24 -0.06 0.24 0.00 0.00 0.00 0.00 54.91 55.33 1ya4 h ALA 156 Cb 0.53 0.17 -0.14 0.00 0.00 0.00 0.00 17.79 18.35 1ya4 h ALA 156 CO -0.89 -1.02 0.35 1.25 0.00 0.00 0.00 179.25 178.95 1ya4 h LEU 157 N -0.29 0.21 0.08 0.00 5.85 -1.75 0.02 115.31 119.43 1ya4 h LEU 157 Ca -0.03 0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 1ya4 h LEU 157 Cb 0.23 0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.46 1ya4 h LEU 157 CO 0.04 -0.10 -0.04 0.00 -0.34 0.00 0.00 178.44 178.00 1ya4 h ALA 158 N 1.77 -0.11 0.04 1.25 0.00 -0.94 -2.16 119.26 119.11 1ya4 h ALA 158 Ca 0.59 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.44 1ya4 h ALA 158 Cb 1.19 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1ya4 h ALA 158 CO -0.60 -0.53 -0.02 0.00 0.00 0.00 0.00 179.25 178.10 1ya4 h ALA 159 N 0.73 -0.06 -0.48 0.00 0.00 -0.28 -1.46 119.26 117.70 1ya4 h ALA 159 Ca -0.01 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1ya4 h ALA 159 Cb 0.15 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1ya4 h ALA 159 CO 0.02 -0.35 0.31 0.45 0.00 0.00 0.00 179.25 179.67 1ya4 h HIS 160 N -0.42 0.62 -0.01 0.00 -0.00 -1.07 -3.24 115.15 111.03 1ya4 h HIS 160 Ca -0.01 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 1ya4 h HIS 160 Cb 0.38 -0.21 0.00 0.00 -0.00 0.00 0.00 27.41 27.58 1ya4 h HIS 160 CO 0.05 0.41 -0.33 0.39 -0.00 0.00 0.00 177.93 178.45 1ya4 n GLU 161 N -4.73 1.57 -2.93 2.45 -0.58 -0.81 -5.02 120.64 110.59 1ya4 n GLU 161 Ca 0.02 -0.94 -0.10 0.00 -0.42 0.00 0.00 57.16 55.73 1ya4 n GLU 161 Cb 0.04 -1.33 0.05 0.00 -0.57 0.00 0.00 31.44 29.62 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 0.02 -6.11 -4.02 1.62 2.85 -0.56 -5.02 115.26 104.04 1ya4 n ASN 162 Ca 0.08 -0.47 -0.09 0.00 -0.11 0.00 0.00 54.58 53.99 1ya4 n ASN 162 Cb 0.38 -4.48 -0.11 0.00 1.24 0.00 0.00 39.78 36.81 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 -3.25 0.17 -0.08 3.44 -7.23 -1.15 -4.55 120.40 107.75 1ya4 s VAL 163 Ca 0.30 -1.20 -0.24 0.00 -1.81 0.00 0.00 61.98 59.03 1ya4 s VAL 163 Cb -0.04 -0.68 -0.03 0.00 0.56 0.00 0.00 36.38 36.19 1ya4 s VAL 163 CO 0.62 -0.65 0.72 -0.69 -0.31 0.00 0.00 175.10 174.80 1ya4 s VAL 164 N -2.22 5.02 -0.16 1.32 1.01 -0.40 -4.35 120.40 120.62 1ya4 s VAL 164 Ca -0.08 1.48 -0.04 0.00 0.00 0.00 0.00 61.98 63.34 1ya4 s VAL 164 Cb -0.04 -4.06 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 1ya4 s VAL 164 CO -0.04 0.22 -0.02 -0.69 0.00 0.00 0.00 175.10 174.57 1ya4 s VAL 165 N 0.99 4.01 -0.07 2.92 1.01 0.43 -0.42 120.40 129.27 1ya4 s VAL 165 Ca 0.38 -0.31 0.05 0.00 0.00 0.00 0.00 61.98 62.09 1ya4 s VAL 165 Cb -0.18 -2.77 -0.00 0.00 0.00 0.00 0.00 36.38 33.43 1ya4 s VAL 165 CO 0.18 0.49 -0.22 -0.69 0.00 0.00 0.00 175.10 174.85 1ya4 s VAL 166 N 0.40 1.84 -0.17 2.92 1.01 0.50 -0.24 120.40 126.66 1ya4 s VAL 166 Ca -0.03 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.03 1ya4 s VAL 166 Cb -0.14 -1.58 0.00 0.00 0.00 0.00 0.00 36.38 34.66 1ya4 s VAL 166 CO 0.03 0.51 -0.15 0.42 0.00 0.00 0.00 175.10 175.90 1ya4 s THR 167 N 0.13 2.59 0.30 3.92 -4.23 -0.26 0.12 115.64 118.20 1ya4 s THR 167 Ca -0.10 -0.79 0.09 0.00 -1.18 0.00 0.00 61.69 59.71 1ya4 s THR 167 Cb -0.15 -2.10 -0.04 0.00 1.34 0.00 0.00 72.50 71.55 1ya4 s THR 167 CO 0.05 0.51 0.08 0.27 -0.54 0.00 0.00 174.62 175.00 1ya4 s ILE 168 N 0.98 3.40 0.18 2.99 -4.36 -1.06 -0.46 121.20 122.88 1ya4 s ILE 168 Ca -0.02 -1.75 0.08 0.00 -0.26 0.00 0.00 60.65 58.69 1ya4 s ILE 168 Cb -0.15 -2.97 -0.04 0.00 1.25 0.00 0.00 42.46 40.54 1ya4 s ILE 168 CO -0.03 -0.29 -0.16 -1.10 0.24 0.00 0.00 174.94 173.60 1ya4 s GLN 169 N -3.77 1.30 0.07 0.37 -0.21 -1.10 -4.37 119.66 111.96 1ya4 s GLN 169 Ca 0.34 -1.49 -0.15 0.00 0.02 0.00 0.00 55.36 54.08 1ya4 s GLN 169 Cb -0.05 -1.22 0.03 0.00 1.00 0.00 0.00 33.01 32.76 1ya4 s GLN 169 CO 0.22 0.23 0.35 1.52 -2.12 0.00 0.00 175.29 175.48 1ya4 s TYR 170 N -2.49 -0.14 0.23 0.91 1.13 -1.26 -4.63 117.35 111.10 1ya4 s TYR 170 Ca 0.19 -0.06 -0.31 0.00 -1.41 0.00 0.00 57.07 55.47 1ya4 s TYR 170 Cb -0.03 0.16 -0.12 0.00 -1.10 0.00 0.00 41.96 40.87 1ya4 s TYR 170 CO 0.07 -0.59 1.66 1.03 -2.51 0.00 0.00 175.55 175.21 1ya4 s ARG 171 N -3.09 4.13 0.48 -3.49 0.52 -1.26 -4.82 118.95 111.41 1ya4 s ARG 171 Ca -0.01 2.57 0.06 0.00 -0.52 0.00 0.00 55.73 57.83 1ya4 s ARG 171 Cb 0.01 -3.06 -0.00 0.00 0.52 0.00 0.00 34.95 32.41 1ya4 s ARG 171 CO -0.07 -0.70 0.34 -0.51 0.02 0.00 0.00 175.30 174.38 1ya4 s LEU 172 N 0.59 2.98 0.00 2.53 1.43 -1.26 -4.07 118.68 120.88 1ya4 s LEU 172 Ca 0.70 -1.08 0.00 0.00 -1.03 0.00 0.00 54.13 52.72 1ya4 s LEU 172 Cb -0.48 -1.47 0.00 0.00 0.03 0.00 0.00 46.19 44.26 1ya4 s LEU 172 CO 0.37 -0.84 0.00 0.61 0.23 0.00 0.00 176.35 176.72 1ya4 n GLY 173 N -1.57 1.70 0.19 -3.19 0.00 -0.28 -1.85 105.19 100.20 1ya4 n GLY 173 Ca -0.00 -0.37 -0.04 0.00 0.00 0.00 0.00 46.02 45.60 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 0.85 -0.92 -0.61 2.04 -1.94 -0.53 117.51 116.41 1ya4 h ILE 174 Ca 0.00 -0.12 0.20 0.00 1.00 0.00 0.00 64.86 65.93 1ya4 h ILE 174 Cb 0.00 0.47 -0.07 0.00 -0.74 0.00 0.00 36.82 36.48 1ya4 h ILE 174 CO 0.00 0.06 0.60 -0.50 0.00 0.00 0.00 178.15 178.31 1ya4 h TRP 175 N 0.35 0.66 0.00 1.37 6.55 -1.87 -2.26 115.95 120.76 1ya4 h TRP 175 Ca 0.22 0.02 0.00 0.00 0.95 0.00 0.00 58.89 60.08 1ya4 h TRP 175 Cb 0.22 -0.20 0.00 0.00 -0.86 0.00 0.00 29.16 28.32 1ya4 h TRP 175 CO -0.15 0.18 -0.63 0.41 -1.05 0.00 0.00 178.44 177.20 1ya4 n GLY 176 N -1.48 -0.17 0.00 1.49 0.00 -0.77 -4.45 105.19 99.81 1ya4 n GLY 176 Ca 0.20 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.32 0.00 -1.73 1.61 3.72 -0.26 0.44 117.46 119.91 1ya4 n PHE 177 Ca 0.02 -0.13 -0.42 0.00 -0.05 0.00 0.00 57.45 56.87 1ya4 n PHE 177 Cb 0.20 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 38.69 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 -0.25 2.06 -0.01 1.38 2.19 -0.86 -4.51 117.98 117.98 1ya4 s PHE 178 Ca 0.00 -0.05 0.02 0.00 0.33 0.00 0.00 56.93 57.23 1ya4 s PHE 178 Cb 0.00 -4.16 -0.00 0.00 -1.31 0.00 0.00 43.02 37.54 1ya4 s PHE 178 CO 0.00 -4.85 -0.07 0.45 1.83 0.00 0.00 175.22 172.58 1ya4 s SER 179 N 2.92 0.78 0.00 6.13 0.15 -1.26 -4.10 113.70 118.32 1ya4 s SER 179 Ca 0.81 -0.12 0.21 0.00 0.70 0.00 0.00 55.95 57.55 1ya4 s SER 179 Cb -0.45 -0.10 0.22 0.00 -1.71 0.00 0.00 66.02 63.98 1ya4 s SER 179 CO 0.37 0.08 1.21 0.35 1.20 0.00 0.00 173.24 176.44 1ya4 n THR 180 N 2.97 0.11 -0.54 6.45 -2.24 -0.59 -4.40 114.28 116.05 1ya4 n THR 180 Ca -0.14 -0.56 0.00 0.00 -2.27 0.00 0.00 64.05 61.09 1ya4 n THR 180 Cb 0.57 1.34 0.00 0.00 -2.10 0.00 0.00 70.33 70.14 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 1.23 1.72 2.46 3.38 0.00 -1.26 -4.38 105.19 108.34 1ya4 n GLY 181 Ca 0.14 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.96 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 1.45 0.28 1.61 3.85 -1.26 -4.99 116.55 117.49 1ya4 n ASP 182 Ca 0.00 -2.58 0.19 0.00 -0.71 0.00 0.00 54.79 51.69 1ya4 n ASP 182 Cb 0.00 0.67 0.97 0.00 -1.35 0.00 0.00 41.12 41.41 1ya4 n ASP 182 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.20 177.24 1ya4 h GLU 183 N 0.00 0.00 0.00 0.11 9.09 -1.96 -1.87 114.58 119.95 1ya4 h GLU 183 Ca -0.24 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.17 1ya4 h GLU 183 Cb 0.89 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.99 1ya4 h GLU 183 CO 0.39 0.00 0.00 0.45 0.05 0.00 0.00 179.01 179.90 1ya4 h HIS 184 N 0.00 0.00 -0.12 2.06 3.86 -1.95 -3.38 115.15 115.62 1ya4 h HIS 184 Ca 0.00 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.13 1ya4 h HIS 184 Cb 0.08 0.00 -0.14 0.00 1.06 0.00 0.00 27.41 28.41 1ya4 h HIS 184 CO 0.00 0.00 -0.17 0.45 0.86 0.00 0.00 177.93 179.07 1ya4 n SER 185 N -2.88 -1.76 -0.14 2.45 2.88 -0.90 -4.93 113.62 108.35 1ya4 n SER 185 Ca 0.01 -1.91 -0.05 0.00 -1.33 0.00 0.00 58.87 55.59 1ya4 n SER 185 Cb 0.30 0.98 0.02 0.00 -0.75 0.00 0.00 64.21 64.76 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 3.68 -0.10 0.00 -1.46 3.08 -1.55 -1.56 114.38 116.47 1ya4 h ARG 186 Ca -0.14 0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.91 1ya4 h ARG 186 Cb 1.16 0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.23 1ya4 h ARG 186 CO -0.07 -0.07 0.00 0.41 -1.07 0.00 0.00 179.97 179.17 1ya4 n GLY 187 N -1.39 -0.98 2.24 0.04 0.00 -1.26 -4.50 105.19 99.35 1ya4 n GLY 187 Ca 0.03 -2.25 -0.10 0.00 0.00 0.00 0.00 46.02 43.70 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 -3.80 -0.16 1.61 3.02 -1.25 -4.91 115.26 109.78 1ya4 n ASN 188 Ca 0.00 0.11 -0.02 0.00 -0.03 0.00 0.00 54.58 54.63 1ya4 n ASN 188 Cb 0.00 -2.67 0.05 0.00 -0.61 0.00 0.00 39.78 36.55 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 -0.16 -0.46 3.10 -0.00 -1.19 0.05 115.95 117.29 1ya4 h TRP 189 Ca -0.23 0.04 0.09 0.00 -0.00 0.00 0.00 58.89 58.79 1ya4 h TRP 189 Cb 0.96 0.15 -0.09 0.00 -0.00 0.00 0.00 29.16 30.18 1ya4 h TRP 189 CO 0.28 -0.18 -0.09 0.78 -0.00 0.00 0.00 178.44 179.23 1ya4 h GLY 190 N 0.05 0.36 1.48 1.49 0.00 -0.17 0.18 103.07 106.46 1ya4 h GLY 190 Ca 0.25 0.13 -0.07 0.00 0.00 0.00 0.00 47.33 47.64 1ya4 h GLY 190 CO -0.48 -0.17 -0.07 0.45 0.00 0.00 0.00 176.54 176.27 1ya4 h HIS 191 N 0.02 0.68 -0.70 5.60 3.86 -1.54 -1.50 115.15 121.57 1ya4 h HIS 191 Ca 0.22 -0.10 -0.05 0.00 -1.16 0.00 0.00 60.37 59.29 1ya4 h HIS 191 Cb 0.34 -0.18 -0.03 0.00 1.06 0.00 0.00 27.41 28.60 1ya4 h HIS 191 CO -0.38 0.69 0.25 -0.07 0.86 0.00 0.00 177.93 179.28 1ya4 h LEU 192 N 0.59 1.00 -0.32 2.43 3.38 0.46 -0.45 115.31 122.39 1ya4 h LEU 192 Ca 0.11 -0.19 0.04 0.00 0.09 0.00 0.00 57.88 57.93 1ya4 h LEU 192 Cb 0.48 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 1ya4 h LEU 192 CO 0.03 0.92 0.11 0.44 0.09 0.00 0.00 178.44 180.02 1ya4 h ASP 193 N 1.02 0.11 -0.25 -0.43 3.32 -0.16 0.44 116.42 120.47 1ya4 h ASP 193 Ca 0.23 0.04 0.06 0.00 0.02 0.00 0.00 57.03 57.38 1ya4 h ASP 193 Cb 0.26 0.03 -0.08 0.00 0.22 0.00 0.00 39.33 39.76 1ya4 h ASP 193 CO -0.01 0.10 -0.34 1.56 -1.72 0.00 0.00 179.24 178.82 1ya4 h GLN 194 N 0.24 -0.34 -0.86 3.56 4.20 -0.48 0.29 115.11 121.73 1ya4 h GLN 194 Ca 0.14 0.02 0.07 0.00 0.06 0.00 0.00 58.65 58.95 1ya4 h GLN 194 Cb 0.12 0.08 -0.06 0.00 0.30 0.00 0.00 27.48 27.92 1ya4 h GLN 194 CO -0.15 -0.22 0.56 0.28 -0.67 0.00 0.00 178.83 178.62 1ya4 h VAL 195 N -0.35 1.03 -0.23 -0.54 2.07 -0.68 -1.56 116.25 115.99 1ya4 h VAL 195 Ca 0.12 -0.32 0.05 0.00 0.82 0.00 0.00 66.70 67.38 1ya4 h VAL 195 Cb 0.55 0.03 -0.05 0.00 -1.52 0.00 0.00 31.29 30.30 1ya4 h VAL 195 CO -0.44 0.17 -0.12 0.00 0.02 0.00 0.00 177.57 177.20 1ya4 h ALA 196 N 1.54 0.07 -0.74 1.67 0.00 0.17 -0.91 119.26 121.07 1ya4 h ALA 196 Ca 0.38 0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.44 1ya4 h ALA 196 Cb 0.26 0.28 -0.06 0.00 0.00 0.00 0.00 17.79 18.27 1ya4 h ALA 196 CO -0.14 -0.53 0.42 0.00 0.00 0.00 0.00 179.25 179.00 1ya4 h ALA 197 N 1.10 1.01 -0.63 0.00 0.00 0.06 -1.24 119.26 119.57 1ya4 h ALA 197 Ca 0.13 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1ya4 h ALA 197 Cb 0.28 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1ya4 h ALA 197 CO -0.29 0.09 0.23 -0.07 0.00 0.00 0.00 179.25 179.21 1ya4 h LEU 198 N 0.75 0.86 -0.51 0.00 3.38 -0.84 -0.84 115.31 118.11 1ya4 h LEU 198 Ca 0.34 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 58.14 1ya4 h LEU 198 Cb 0.23 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1ya4 h LEU 198 CO -0.20 0.79 0.16 0.03 0.09 0.00 0.00 178.44 179.31 1ya4 h ARG 199 N 0.92 0.79 -0.46 1.13 3.08 -0.43 -2.13 114.38 117.28 1ya4 h ARG 199 Ca 0.21 -0.17 0.06 0.00 0.07 0.00 0.00 59.98 60.16 1ya4 h ARG 199 Cb 0.21 -0.12 -0.05 0.00 0.08 0.00 0.00 29.97 30.09 1ya4 h ARG 199 CO -0.01 0.73 0.15 2.35 -1.07 0.00 0.00 179.97 182.12 1ya4 h TRP 200 N 0.70 0.26 -0.66 3.04 7.01 -0.28 -1.85 115.95 124.16 1ya4 h TRP 200 Ca 0.17 0.02 0.06 0.00 2.11 0.00 0.00 58.89 61.25 1ya4 h TRP 200 Cb 0.27 -0.05 -0.05 0.00 -2.10 0.00 0.00 29.16 27.22 1ya4 h TRP 200 CO 0.01 0.08 0.37 0.28 -2.79 0.00 0.00 178.44 176.39 1ya4 h VAL 201 N 0.31 0.97 -0.36 2.65 2.07 -0.84 -1.71 116.25 119.34 1ya4 h VAL 201 Ca 0.22 -0.23 0.04 0.00 0.82 0.00 0.00 66.70 67.55 1ya4 h VAL 201 Cb 0.23 0.23 -0.04 0.00 -1.52 0.00 0.00 31.29 30.19 1ya4 h VAL 201 CO -0.24 0.12 0.11 1.56 0.02 0.00 0.00 177.57 179.15 1ya4 h GLN 202 N 0.68 0.25 -0.05 1.57 1.08 -0.69 -0.77 115.11 117.17 1ya4 h GLN 202 Ca 0.30 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.48 1ya4 h GLN 202 Cb 0.19 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.56 1ya4 h GLN 202 CO -0.18 0.17 0.00 -0.25 -0.95 0.00 0.00 178.83 177.61 1ya4 n ASP 203 N -5.03 0.68 0.00 1.46 8.00 -0.94 -4.58 116.55 116.14 1ya4 n ASP 203 Ca 0.01 -1.47 0.00 0.00 0.71 0.00 0.00 54.79 54.05 1ya4 n ASP 203 Cb 0.13 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.20 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 -0.37 0.00 0.20 -2.24 3.02 -0.69 -4.63 115.26 110.55 1ya4 n ASN 204 Ca 0.16 0.00 0.04 0.00 -0.03 0.00 0.00 54.58 54.76 1ya4 n ASN 204 Cb 0.18 0.00 0.24 0.00 -0.61 0.00 0.00 39.78 39.59 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 0.00 -0.28 2.41 6.09 -1.33 0.33 117.51 124.73 1ya4 h ILE 205 Ca 0.00 0.00 -0.07 0.00 -1.37 0.00 0.00 64.86 63.42 1ya4 h ILE 205 Cb 0.00 0.19 -0.02 0.00 0.47 0.00 0.00 36.82 37.47 1ya4 h ILE 205 CO 0.00 0.00 -0.14 0.00 -3.07 0.00 0.00 178.15 174.94 1ya4 h ALA 206 N 0.65 1.24 0.00 0.18 0.00 -1.79 -1.93 119.26 117.62 1ya4 h ALA 206 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1ya4 h ALA 206 Cb 1.07 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1ya4 h ALA 206 CO 0.00 0.50 0.00 0.43 0.00 0.00 0.00 179.25 180.18 1ya4 n SER 207 N -4.19 0.00 -0.73 0.00 7.64 0.12 -2.25 113.62 114.21 1ya4 n SER 207 Ca 0.00 -0.82 0.06 0.00 1.01 0.00 0.00 58.87 59.12 1ya4 n SER 207 Cb 0.33 0.00 0.14 0.00 -1.01 0.00 0.00 64.21 63.67 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 -0.78 0.00 -1.60 1.43 3.01 -0.90 -4.65 117.46 113.97 1ya4 n PHE 208 Ca 0.08 -1.08 -0.10 0.00 1.01 0.00 0.00 57.45 57.35 1ya4 n PHE 208 Cb 0.03 -0.20 -0.03 0.00 -0.01 0.00 0.00 39.48 39.28 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 -0.71 0.75 3.72 1.37 0.00 -0.95 -4.76 105.19 104.61 1ya4 n GLY 209 Ca 0.14 -0.53 -0.28 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.77 1.82 -0.57 -0.02 0.00 -0.78 -0.89 107.32 104.11 1ya4 s GLY 210 Ca 0.00 -1.20 -0.18 0.00 0.00 0.00 0.00 44.72 43.34 1ya4 s GLY 210 CO 0.00 -1.20 0.63 0.21 0.00 0.00 0.00 173.10 172.73 1ya4 s ASN 211 N -2.71 6.19 0.66 1.64 2.47 0.53 -3.77 114.94 119.95 1ya4 s ASN 211 Ca 0.28 -1.53 0.34 0.00 0.42 0.00 0.00 52.86 52.36 1ya4 s ASN 211 Cb -0.11 -2.27 1.85 0.00 -1.45 0.00 0.00 41.25 39.27 1ya4 s ASN 211 CO 0.20 -1.01 2.04 1.55 -3.72 0.00 0.00 177.10 176.16 1ya4 h PRO 212 N 9.07 0.00 -0.33 0.43 0.13 -1.89 0.81 132.00 140.22 1ya4 h PRO 212 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1ya4 h PRO 212 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1ya4 h PRO 212 CO 1.07 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 179.25 1ya4 n GLY 213 N -1.18 0.74 2.47 1.56 0.00 -1.26 -4.22 105.19 103.30 1ya4 n GLY 213 Ca -0.02 -0.45 -0.13 0.00 0.00 0.00 0.00 46.02 45.42 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 0.61 1.04 -4.73 1.61 2.88 0.28 -4.94 113.62 110.38 1ya4 n SER 214 Ca 0.15 -2.84 -0.38 0.00 -1.33 0.00 0.00 58.87 54.46 1ya4 n SER 214 Cb 0.35 -0.49 -0.06 0.00 -0.75 0.00 0.00 64.21 63.27 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 -2.70 5.14 -0.13 2.46 1.01 -1.26 -2.34 120.40 122.58 1ya4 s VAL 215 Ca 0.32 1.07 0.03 0.00 0.00 0.00 0.00 61.98 63.40 1ya4 s VAL 215 Cb 0.41 -3.87 0.01 0.00 0.00 0.00 0.00 36.38 32.93 1ya4 s VAL 215 CO -0.01 0.32 -0.22 -0.89 0.00 0.00 0.00 175.10 174.30 1ya4 s THR 216 N 0.57 2.12 -0.10 3.92 2.01 0.23 0.82 115.64 125.21 1ya4 s THR 216 Ca 0.29 -0.97 -0.04 0.00 0.31 0.00 0.00 61.69 61.27 1ya4 s THR 216 Cb -0.16 -1.84 -0.04 0.00 0.01 0.00 0.00 72.50 70.47 1ya4 s THR 216 CO 0.12 0.55 0.08 0.27 -0.69 0.00 0.00 174.62 174.95 1ya4 s ILE 217 N 0.70 4.97 -0.15 1.82 -4.36 -0.65 -0.62 121.20 122.91 1ya4 s ILE 217 Ca -0.10 -0.02 -0.12 0.00 -0.26 0.00 0.00 60.65 60.15 1ya4 s ILE 217 Cb -0.16 -3.15 0.04 0.00 1.25 0.00 0.00 42.46 40.44 1ya4 s ILE 217 CO 0.01 0.59 0.38 0.72 0.24 0.00 0.00 174.94 176.88 1ya4 s PHE 218 N -0.99 -0.45 0.16 1.37 -0.71 -0.54 -0.88 117.98 115.96 1ya4 s PHE 218 Ca 0.15 1.06 -0.01 0.00 -1.04 0.00 0.00 56.93 57.09 1ya4 s PHE 218 Cb -0.12 0.16 -0.04 0.00 -1.21 0.00 0.00 43.02 41.81 1ya4 s PHE 218 CO 0.04 -0.23 0.08 0.20 -1.34 0.00 0.00 175.22 173.98 1ya4 s GLY 219 N 0.44 1.16 -0.07 1.99 0.00 -0.93 -1.43 107.32 108.48 1ya4 s GLY 219 Ca -0.02 -1.56 0.04 0.00 0.00 0.00 0.00 44.72 43.18 1ya4 s GLY 219 CO -0.02 -1.38 -0.18 1.85 0.00 0.00 0.00 173.10 173.36 1ya4 s GLU 220 N -4.08 2.20 7.84 2.90 -6.30 -1.23 -1.31 118.70 118.72 1ya4 s GLU 220 Ca 0.29 -0.66 0.00 0.00 -2.50 0.00 0.00 54.97 52.11 1ya4 s GLU 220 Cb 0.07 -1.79 0.00 0.00 0.00 0.00 0.00 34.13 32.42 1ya4 s GLU 220 CO 0.06 0.17 0.00 0.45 0.02 0.00 0.00 175.26 175.96 1ya4 n SER 221 N 3.43 0.00 -0.31 -1.70 2.88 0.01 -1.96 113.62 115.98 1ya4 n SER 221 Ca -0.20 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.48 1ya4 n SER 221 Cb 0.52 0.00 0.38 0.00 -0.75 0.00 0.00 64.21 64.36 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 -0.86 1.84 -0.76 -1.46 0.00 -1.87 0.79 119.26 116.93 1ya4 h ALA 222 Ca 0.00 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1ya4 h ALA 222 Cb 0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1ya4 h ALA 222 CO 0.00 -0.15 0.27 0.78 0.00 0.00 0.00 179.25 180.16 1ya4 h GLY 223 N 0.68 1.24 1.02 0.00 0.00 -1.44 0.81 103.07 105.38 1ya4 h GLY 223 Ca 0.51 -0.70 0.00 0.00 0.00 0.00 0.00 47.33 47.15 1ya4 h GLY 223 CO -0.27 0.66 0.62 -1.33 0.00 0.00 0.00 176.54 176.21 1ya4 h GLY 224 N 1.13 1.39 0.76 4.60 0.00 0.46 0.40 103.07 111.82 1ya4 h GLY 224 Ca 0.25 -0.55 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 1ya4 h GLY 224 CO -0.01 0.54 0.01 -2.09 0.00 0.00 0.00 176.54 174.98 1ya4 h GLU 225 N 1.33 0.09 -0.41 4.80 4.22 0.10 -2.03 114.58 122.68 1ya4 h GLU 225 Ca 0.35 -0.02 0.08 0.00 0.08 0.00 0.00 59.36 59.85 1ya4 h GLU 225 Cb -0.10 -0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.06 1ya4 h GLU 225 CO -0.07 0.32 -0.10 0.77 -2.18 0.00 0.00 179.01 177.75 1ya4 h SER 226 N -0.16 -0.38 -0.94 1.04 0.02 0.11 0.17 113.55 113.40 1ya4 h SER 226 Ca 0.02 0.12 0.11 0.00 -0.84 0.00 0.00 61.79 61.20 1ya4 h SER 226 Cb 0.28 0.26 -0.08 0.00 0.14 0.00 0.00 62.40 62.99 1ya4 h SER 226 CO 0.00 -0.14 0.57 0.58 -1.14 0.00 0.00 176.83 176.71 1ya4 h VAL 227 N 0.00 0.91 -0.29 2.27 2.07 -0.80 0.68 116.25 121.08 1ya4 h VAL 227 Ca 0.20 -0.32 -0.10 0.00 0.82 0.00 0.00 66.70 67.30 1ya4 h VAL 227 Cb 0.30 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 29.97 1ya4 h VAL 227 CO -0.43 0.17 -0.25 -1.28 0.02 0.00 0.00 177.57 175.80 1ya4 h SER 228 N 0.92 0.57 -0.38 0.57 0.87 -0.12 -2.79 113.55 113.19 1ya4 h SER 228 Ca 0.47 -0.20 -0.14 0.00 -1.23 0.00 0.00 61.79 60.69 1ya4 h SER 228 Cb 0.46 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 1ya4 h SER 228 CO -0.26 0.81 -0.30 0.58 -0.53 0.00 0.00 176.83 177.13 1ya4 h VAL 229 N 0.50 1.28 -0.27 2.23 2.07 0.12 -2.95 116.25 119.23 1ya4 h VAL 229 Ca 0.07 -1.46 -0.01 0.00 0.82 0.00 0.00 66.70 66.12 1ya4 h VAL 229 Cb 0.69 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 1ya4 h VAL 229 CO 0.05 0.49 0.13 -0.07 0.02 0.00 0.00 177.57 178.19 1ya4 h LEU 230 N 0.67 0.32 -1.50 2.57 3.38 -0.87 0.54 115.31 120.42 1ya4 h LEU 230 Ca 0.07 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 1ya4 h LEU 230 Cb 0.88 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 1ya4 h LEU 230 CO 0.08 0.27 -0.18 0.58 0.09 0.00 0.00 178.44 179.28 1ya4 h VAL 231 N 0.37 0.55 0.00 1.22 2.07 -1.32 -2.83 116.25 116.31 1ya4 h VAL 231 Ca 0.10 -0.85 -0.04 0.00 0.82 0.00 0.00 66.70 66.72 1ya4 h VAL 231 Cb 0.03 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 1ya4 h VAL 231 CO -0.01 0.17 -1.69 0.18 0.02 0.00 0.00 177.57 176.24 1ya4 n LEU 232 N -3.49 0.32 -4.73 2.57 4.77 -0.37 -4.55 117.00 111.52 1ya4 n LEU 232 Ca -0.01 0.13 -0.41 0.00 -0.03 0.00 0.00 56.01 55.69 1ya4 n LEU 232 Cb 0.34 0.03 -0.04 0.00 -2.33 0.00 0.00 43.42 41.42 1ya4 n LEU 232 CO 0.32 -0.00 0.69 -0.55 -1.33 0.00 0.00 177.39 176.52 1ya4 s SER 233 N -4.95 7.45 0.19 -1.43 0.15 0.04 -4.92 113.70 110.22 1ya4 s SER 233 Ca -0.06 1.84 -0.09 0.00 0.70 0.00 0.00 55.95 58.35 1ya4 s SER 233 Cb 0.12 -2.59 0.08 0.00 -1.71 0.00 0.00 66.02 61.92 1ya4 s SER 233 CO 0.86 -0.11 1.66 -0.65 1.20 0.00 0.00 173.24 176.20 1ya4 h PRO 234 N 5.57 1.10 0.00 5.44 0.11 -1.85 -2.89 132.00 139.48 1ya4 h PRO 234 Ca -0.43 -0.32 -0.02 0.00 0.11 0.00 0.00 66.00 65.34 1ya4 h PRO 234 Cb 1.21 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1ya4 h PRO 234 CO 0.72 1.03 -0.08 -0.07 -0.21 0.00 0.00 178.00 179.39 1ya4 h LEU 235 N 1.01 0.00 0.00 2.35 3.38 -1.84 -2.03 115.31 118.18 1ya4 h LEU 235 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1ya4 h LEU 235 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1ya4 h LEU 235 CO 0.02 0.08 -0.25 0.00 0.09 0.00 0.00 178.44 178.39 1ya4 n ALA 236 N -2.42 2.67 -1.66 1.53 0.00 -1.09 -4.91 120.51 114.63 1ya4 n ALA 236 Ca -0.03 -0.15 -0.58 0.00 0.00 0.00 0.00 53.44 52.68 1ya4 n ALA 236 Cb 0.17 -1.33 -0.07 0.00 0.00 0.00 0.00 19.45 18.21 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 -1.92 0.81 -1.00 0.00 4.81 -0.77 -1.79 118.16 118.30 1ya4 n LYS 237 Ca 0.05 0.29 0.00 0.00 -0.87 0.00 0.00 58.31 57.79 1ya4 n LYS 237 Cb 0.40 -1.91 0.00 0.00 0.02 0.00 0.00 35.03 33.53 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 3.87 -2.74 -0.14 3.14 3.02 -1.26 -4.90 115.26 116.26 1ya4 n ASN 238 Ca 0.24 0.00 0.10 0.00 -0.03 0.00 0.00 54.58 54.89 1ya4 n ASN 238 Cb 0.11 -0.57 -0.08 0.00 -0.61 0.00 0.00 39.78 38.62 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 0.00 1.27 -3.88 3.41 4.77 -0.74 -4.97 117.00 116.86 1ya4 n LEU 239 Ca 0.00 -0.57 -0.09 0.00 -0.03 0.00 0.00 56.01 55.31 1ya4 n LEU 239 Cb 0.02 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.04 1ya4 n LEU 239 CO 0.00 0.28 -0.01 0.72 -1.33 0.00 0.00 177.39 177.05 1ya4 s PHE 240 N -2.80 0.23 0.00 -1.77 -0.71 -1.26 -4.84 117.98 106.83 1ya4 s PHE 240 Ca 0.11 -0.61 0.00 0.00 -1.04 0.00 0.00 56.93 55.38 1ya4 s PHE 240 Cb 0.16 -0.00 0.00 0.00 -1.21 0.00 0.00 43.02 41.97 1ya4 s PHE 240 CO 0.77 -0.68 0.24 0.72 -1.34 0.00 0.00 175.22 174.93 1ya4 n HIS 241 N -0.18 0.00 -3.64 3.49 8.25 0.24 -4.93 115.22 118.45 1ya4 n HIS 241 Ca -0.11 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.23 1ya4 n HIS 241 Cb 0.63 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.66 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 -0.08 0.77 0.08 -0.41 0.52 -1.20 -4.19 118.95 114.44 1ya4 s ARG 242 Ca 0.00 0.99 0.07 0.00 -0.52 0.00 0.00 55.73 56.27 1ya4 s ARG 242 Cb 0.00 0.34 -0.03 0.00 0.52 0.00 0.00 34.95 35.78 1ya4 s ARG 242 CO 0.00 -0.10 -0.19 0.00 0.02 0.00 0.00 175.30 175.02 1ya4 s ALA 243 N 0.58 1.63 -0.07 2.13 0.00 -0.26 -1.64 121.76 124.13 1ya4 s ALA 243 Ca -0.02 -1.11 -0.02 0.00 0.00 0.00 0.00 51.96 50.81 1ya4 s ALA 243 Cb -0.05 -0.24 0.04 0.00 0.00 0.00 0.00 23.12 22.87 1ya4 s ALA 243 CO -0.03 0.33 0.06 0.42 0.00 0.00 0.00 175.76 176.53 1ya4 s ILE 244 N -1.05 -0.00 -0.30 0.00 1.01 -0.05 -0.52 121.20 120.29 1ya4 s ILE 244 Ca 0.05 0.23 -0.06 0.00 0.00 0.00 0.00 60.65 60.88 1ya4 s ILE 244 Cb -0.09 -0.32 0.02 0.00 0.01 0.00 0.00 42.46 42.07 1ya4 s ILE 244 CO 0.03 0.09 0.06 -0.44 0.00 0.00 0.00 174.94 174.69 1ya4 s SER 245 N 2.12 5.05 -0.42 3.58 0.01 0.52 -2.18 113.70 122.37 1ya4 s SER 245 Ca 0.04 -0.87 -0.13 0.00 1.31 0.00 0.00 55.95 56.31 1ya4 s SER 245 Cb -0.13 -1.84 0.05 0.00 0.21 0.00 0.00 66.02 64.31 1ya4 s SER 245 CO -0.05 -0.22 0.30 -1.61 0.41 0.00 0.00 173.24 172.07 1ya4 s GLU 246 N 1.44 2.86 -1.07 12.44 2.02 -0.43 -1.69 118.70 134.28 1ya4 s GLU 246 Ca 0.01 -1.23 -0.04 0.00 0.02 0.00 0.00 54.97 53.72 1ya4 s GLU 246 Cb -0.18 -3.93 -0.05 0.00 0.10 0.00 0.00 34.13 30.07 1ya4 s GLU 246 CO 0.01 -0.87 0.92 0.43 0.02 0.00 0.00 175.26 175.78 1ya4 n SER 247 N 5.09 -5.45 0.00 -0.19 7.64 -0.46 -0.81 113.62 119.44 1ya4 n SER 247 Ca -0.11 -0.67 0.00 0.00 1.01 0.00 0.00 58.87 59.09 1ya4 n SER 247 Cb 0.45 -5.11 0.00 0.00 -1.01 0.00 0.00 64.21 58.54 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 -1.21 3.59 2.55 0.23 0.00 -1.26 -2.90 105.19 106.19 1ya4 n GLY 248 Ca -0.12 -0.22 -0.16 0.00 0.00 0.00 0.00 46.02 45.51 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 1.04 1.61 0.24 -1.26 -2.82 118.33 117.13 1ya4 n VAL 249 Ca 0.00 -1.93 0.07 0.00 -2.04 0.00 0.00 64.34 60.44 1ya4 n VAL 249 Cb 0.00 0.93 0.40 0.00 -1.47 0.00 0.00 33.84 33.71 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 -1.22 2.10 0.18 2.33 0.00 -1.26 -1.98 120.51 120.66 1ya4 n ALA 250 Ca -0.10 -0.08 0.06 0.00 0.00 0.00 0.00 53.44 53.32 1ya4 n ALA 250 Cb 0.48 -1.22 0.10 0.00 0.00 0.00 0.00 19.45 18.81 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 -0.91 2.42 -4.57 0.00 4.77 -1.26 -4.78 117.00 112.67 1ya4 n LEU 251 Ca 0.10 -1.45 -0.36 0.00 -0.03 0.00 0.00 56.01 54.27 1ya4 n LEU 251 Cb 0.05 -0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.00 1ya4 n LEU 251 CO 0.08 0.54 1.65 -0.89 -1.33 0.00 0.00 177.39 177.44 1ya4 s THR 252 N -0.98 3.81 0.18 -5.08 2.01 -0.84 -4.84 115.64 109.90 1ya4 s THR 252 Ca 0.18 -1.18 -0.02 0.00 0.31 0.00 0.00 61.69 60.98 1ya4 s THR 252 Cb 0.11 -4.81 0.27 0.00 0.01 0.00 0.00 72.50 68.08 1ya4 s THR 252 CO 0.15 -1.54 0.94 -1.20 -0.69 0.00 0.00 174.62 172.29 1ya4 n SER 253 N 11.14 -0.15 -0.30 3.53 7.64 -1.26 -0.96 113.62 133.26 1ya4 n SER 253 Ca 0.44 1.03 0.20 0.00 1.01 0.00 0.00 58.87 61.54 1ya4 n SER 253 Cb 0.47 -0.34 0.48 0.00 -1.01 0.00 0.00 64.21 63.81 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 0.61 0.00 0.44 3.04 -1.77 -1.34 116.25 117.23 1ya4 h VAL 254 Ca 0.33 -0.16 0.00 0.00 -1.01 0.00 0.00 66.70 65.86 1ya4 h VAL 254 Cb 0.59 0.11 0.00 0.00 -2.01 0.00 0.00 31.29 29.98 1ya4 h VAL 254 CO -0.59 0.08 -0.21 -0.07 -1.01 0.00 0.00 177.57 175.77 1ya4 h LEU 255 N 0.47 0.00 -8.59 3.16 3.38 -1.42 -3.45 115.31 108.85 1ya4 h LEU 255 Ca 0.55 -0.04 -0.65 0.00 0.09 0.00 0.00 57.88 57.83 1ya4 h LEU 255 Cb 1.28 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 41.77 1ya4 h LEU 255 CO -0.26 0.02 -0.71 -0.69 0.09 0.00 0.00 178.44 176.88 1ya4 s VAL 256 N -3.17 3.47 -0.44 1.22 1.01 -0.51 -0.39 120.40 121.60 1ya4 s VAL 256 Ca 0.08 -0.48 -0.19 0.00 0.00 0.00 0.00 61.98 61.38 1ya4 s VAL 256 Cb 0.10 -2.54 0.03 0.00 0.00 0.00 0.00 36.38 33.97 1ya4 s VAL 256 CO 0.66 0.47 0.54 -0.54 0.00 0.00 0.00 175.10 176.22 1ya4 s LYS 257 N 0.88 3.16 -0.10 2.72 -0.14 0.16 -4.88 119.74 121.54 1ya4 s LYS 257 Ca -0.01 -0.64 -0.00 0.00 -1.36 0.00 0.00 55.97 53.96 1ya4 s LYS 257 Cb -0.15 -3.98 -0.03 0.00 -1.68 0.00 0.00 37.83 32.00 1ya4 s LYS 257 CO 0.01 -0.96 -0.08 -1.59 -0.76 0.00 0.00 175.35 171.98 1ya4 s LYS 258 N 2.44 3.10 0.00 1.68 -2.85 -1.26 -4.29 119.74 118.56 1ya4 s LYS 258 Ca 0.16 -0.57 0.00 0.00 -1.00 0.00 0.00 55.97 54.56 1ya4 s LYS 258 Cb -0.16 -2.67 0.00 0.00 -2.06 0.00 0.00 37.83 32.93 1ya4 s LYS 258 CO 0.15 0.47 0.00 0.41 0.10 0.00 0.00 175.35 176.48 1ya4 n GLY 259 N 2.81 1.18 3.64 0.59 0.00 -1.26 -4.97 105.19 107.17 1ya4 n GLY 259 Ca -0.18 -2.26 -0.43 0.00 0.00 0.00 0.00 46.02 43.16 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 6.43 0.10 1.61 2.15 -1.26 -4.86 116.67 120.84 1ya4 s ASP 260 Ca 0.00 1.82 0.24 0.00 0.43 0.00 0.00 52.55 55.04 1ya4 s ASP 260 Cb 0.00 -2.53 0.29 0.00 -0.30 0.00 0.00 42.92 40.37 1ya4 s ASP 260 CO 0.00 -1.19 1.26 1.33 -0.17 0.00 0.00 175.17 176.40 1ya4 n VAL 261 N 6.18 0.31 -0.28 1.11 0.24 -1.26 -4.33 118.33 120.30 1ya4 n VAL 261 Ca 0.19 -0.26 -0.02 0.00 -2.04 0.00 0.00 64.34 62.21 1ya4 n VAL 261 Cb 0.44 -0.05 0.04 0.00 -1.47 0.00 0.00 33.84 32.81 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 -0.07 -0.72 7.34 1.63 -1.82 -0.46 116.57 122.47 1ya4 h LYS 262 Ca 0.00 0.00 0.16 0.00 -0.85 0.00 0.00 60.65 59.96 1ya4 h LYS 262 Cb 0.74 0.02 -0.13 0.00 -0.60 0.00 0.00 32.23 32.25 1ya4 h LYS 262 CO 0.00 -0.05 -0.07 -1.35 -3.45 0.00 0.00 179.45 174.53 1ya4 h PRO 263 N -0.07 0.06 -0.63 1.90 0.11 -1.95 0.16 132.00 131.57 1ya4 h PRO 263 Ca 0.31 -0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.36 1ya4 h PRO 263 Cb 0.58 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.65 1ya4 h PRO 263 CO -0.82 0.04 0.17 1.25 -0.21 0.00 0.00 178.00 178.43 1ya4 h LEU 264 N 0.06 0.92 0.58 2.35 6.46 -1.40 -1.29 115.31 122.99 1ya4 h LEU 264 Ca 0.38 -0.17 -0.02 0.00 -0.12 0.00 0.00 57.88 57.94 1ya4 h LEU 264 Cb 0.63 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 40.30 1ya4 h LEU 264 CO -0.68 0.89 -0.41 0.00 -0.62 0.00 0.00 178.44 177.62 1ya4 h ALA 265 N 1.23 -0.99 -0.97 1.25 0.00 -0.14 -1.29 119.26 118.36 1ya4 h ALA 265 Ca 0.20 -0.19 0.17 0.00 0.00 0.00 0.00 54.91 55.10 1ya4 h ALA 265 Cb 0.32 0.53 -0.10 0.00 0.00 0.00 0.00 17.79 18.53 1ya4 h ALA 265 CO -0.00 -1.08 0.58 0.93 0.00 0.00 0.00 179.25 179.68 1ya4 h GLU 266 N -0.95 0.75 0.06 0.00 5.08 -0.79 0.13 114.58 118.86 1ya4 h GLU 266 Ca -0.07 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1ya4 h GLU 266 Cb 0.79 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.87 1ya4 h GLU 266 CO 0.04 0.50 -0.03 1.96 -1.00 0.00 0.00 179.01 180.47 1ya4 h GLN 267 N 0.77 -0.08 -0.38 2.33 4.20 -0.88 0.64 115.11 121.71 1ya4 h GLN 267 Ca 0.54 0.01 0.04 0.00 0.06 0.00 0.00 58.65 59.30 1ya4 h GLN 267 Cb 0.78 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.53 1ya4 h GLN 267 CO -0.36 0.03 0.13 0.82 -0.67 0.00 0.00 178.83 178.79 1ya4 h ILE 268 N -0.18 0.89 -0.42 2.54 2.04 -0.04 0.13 117.51 122.47 1ya4 h ILE 268 Ca -0.01 -0.10 0.03 0.00 1.00 0.00 0.00 64.86 65.78 1ya4 h ILE 268 Cb 0.15 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 1ya4 h ILE 268 CO 0.01 0.05 0.23 0.00 0.00 0.00 0.00 178.15 178.44 1ya4 h ALA 269 N 1.24 0.53 -0.59 1.87 0.00 -0.62 -1.53 119.26 120.15 1ya4 h ALA 269 Ca 0.17 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 1ya4 h ALA 269 Cb 0.15 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1ya4 h ALA 269 CO -0.17 -0.12 0.13 0.82 0.00 0.00 0.00 179.25 179.91 1ya4 h ILE 270 N 0.46 1.24 -0.76 0.00 2.04 -0.26 -0.84 117.51 119.39 1ya4 h ILE 270 Ca 0.18 -0.90 -0.01 0.00 1.00 0.00 0.00 64.86 65.13 1ya4 h ILE 270 Cb 0.06 0.65 -0.04 0.00 -0.74 0.00 0.00 36.82 36.75 1ya4 h ILE 270 CO -0.11 0.34 0.43 0.74 0.00 0.00 0.00 178.15 179.55 1ya4 h THR 271 N 0.89 1.22 0.00 -0.27 2.02 -0.36 -1.38 112.91 115.04 1ya4 h THR 271 Ca 0.19 -0.53 0.00 0.00 0.77 0.00 0.00 66.41 66.84 1ya4 h THR 271 Cb 0.34 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 1ya4 h THR 271 CO 0.00 0.24 0.00 0.00 0.37 0.00 0.00 175.52 176.13 1ya4 n ALA 272 N -2.35 2.47 -1.56 6.16 0.00 -0.64 -4.89 120.51 119.70 1ya4 n ALA 272 Ca 0.07 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1ya4 n ALA 272 Cb 0.08 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.08 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 0.82 0.63 3.24 0.00 0.00 -0.52 -5.06 105.19 104.30 1ya4 n GLY 273 Ca 0.18 -0.39 -0.16 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.00 3.14 -0.08 0.00 1.02 -1.26 -4.19 119.74 115.35 1ya4 s LYS 275 Ca 0.11 1.03 0.12 0.00 0.02 0.00 0.00 55.97 57.26 1ya4 s LYS 275 Cb -0.03 -2.01 0.19 0.00 -0.52 0.00 0.00 37.83 35.46 1ya4 s LYS 275 CO 0.02 -0.95 1.09 0.25 -0.92 0.00 0.00 175.35 174.85 1ya4 n THR 276 N -2.67 1.27 -0.37 2.17 -2.24 -1.26 -4.30 114.28 106.88 1ya4 n THR 276 Ca 0.08 -1.51 -0.00 0.00 -2.27 0.00 0.00 64.05 60.34 1ya4 n THR 276 Cb 0.53 0.02 0.05 0.00 -2.10 0.00 0.00 70.33 68.84 1ya4 n THR 276 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1ya4 n THR 277 N -0.96 -0.49 -4.16 4.28 -1.04 -1.26 -4.73 114.28 105.92 1ya4 n THR 277 Ca 0.10 2.25 -0.16 0.00 -2.04 0.00 0.00 64.05 64.20 1ya4 n THR 277 Cb 0.64 -2.99 -0.06 0.00 -1.82 0.00 0.00 70.33 66.11 1ya4 n THR 277 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1ya4 s THR 278 N -5.95 0.00 0.02 12.58 -4.23 -1.26 -5.04 115.64 111.75 1ya4 s THR 278 Ca -0.13 -1.75 -0.26 0.00 -1.18 0.00 0.00 61.69 58.37 1ya4 s THR 278 Cb 0.21 -2.58 -0.17 0.00 1.34 0.00 0.00 72.50 71.30 1ya4 s THR 278 CO 0.70 0.00 1.28 0.28 -0.54 0.00 0.00 174.62 176.33 1ya4 h SER 279 N 2.14 -0.38 -0.78 3.99 0.02 -1.97 -2.70 113.55 113.87 1ya4 h SER 279 Ca -0.27 -0.15 0.18 0.00 -0.84 0.00 0.00 61.79 60.71 1ya4 h SER 279 Cb 1.24 0.10 -0.12 0.00 0.14 0.00 0.00 62.40 63.75 1ya4 h SER 279 CO 0.38 -0.04 0.16 0.00 -1.14 0.00 0.00 176.83 176.19 1ya4 h ALA 280 N -0.22 1.01 -0.24 3.77 0.00 -1.98 -1.03 119.26 120.57 1ya4 h ALA 280 Ca -0.05 0.20 0.04 0.00 0.00 0.00 0.00 54.91 55.10 1ya4 h ALA 280 Cb 0.51 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1ya4 h ALA 280 CO 0.08 -0.39 0.02 0.28 0.00 0.00 0.00 179.25 179.24 1ya4 h VAL 281 N 0.22 0.86 0.18 0.00 2.07 -1.93 -1.13 116.25 116.52 1ya4 h VAL 281 Ca 0.45 -0.04 0.01 0.00 0.82 0.00 0.00 66.70 67.95 1ya4 h VAL 281 Cb 0.83 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 1ya4 h VAL 281 CO -0.58 0.02 -0.24 0.24 0.02 0.00 0.00 177.57 177.03 1ya4 h MET 282 N 0.10 -0.45 -0.43 1.57 0.00 -0.87 -0.05 114.93 114.81 1ya4 h MET 282 Ca 0.11 0.03 0.06 0.00 0.00 0.00 0.00 59.70 59.90 1ya4 h MET 282 Cb 0.13 0.10 -0.05 0.00 0.00 0.00 0.00 31.60 31.78 1ya4 h MET 282 CO -0.17 -0.30 0.12 0.28 0.00 0.00 0.00 176.91 176.84 1ya4 h VAL 283 N -0.47 0.82 -0.24 -2.22 2.07 -1.32 -0.78 116.25 114.12 1ya4 h VAL 283 Ca 0.01 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1ya4 h VAL 283 Cb 0.46 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1ya4 h VAL 283 CO -0.09 0.05 0.16 -0.74 0.02 0.00 0.00 177.57 176.96 1ya4 h HIS 284 N 0.27 0.30 -0.39 1.57 -0.00 -0.97 -0.70 115.15 115.24 1ya4 h HIS 284 Ca 0.20 0.01 -0.06 0.00 -0.00 0.00 0.00 60.37 60.52 1ya4 h HIS 284 Cb 0.22 -0.10 -0.02 0.00 -0.00 0.00 0.00 27.41 27.51 1ya4 h HIS 284 CO -0.18 0.20 0.00 0.00 -0.00 0.00 0.00 177.93 177.96 1ya4 h LEU 286 N 0.58 0.45 -1.77 0.00 3.38 -0.86 -2.84 115.31 114.24 1ya4 h LEU 286 Ca 0.12 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1ya4 h LEU 286 Cb 0.36 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1ya4 h LEU 286 CO 0.01 0.97 0.13 0.03 0.09 0.00 0.00 178.44 179.68 1ya4 h ARG 287 N 0.28 0.28 0.00 1.13 3.08 -0.74 -1.65 114.38 116.76 1ya4 h ARG 287 Ca -0.01 -0.02 -0.12 0.00 0.07 0.00 0.00 59.98 59.90 1ya4 h ARG 287 Cb 1.19 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 31.15 1ya4 h ARG 287 CO 0.11 0.20 -0.56 1.96 -1.07 0.00 0.00 179.97 180.60 1ya4 h GLN 288 N 0.29 0.00 -7.07 0.04 1.08 -1.29 -3.46 115.11 104.69 1ya4 h GLN 288 Ca 0.08 0.00 -0.55 0.00 -1.45 0.00 0.00 58.65 56.73 1ya4 h GLN 288 Cb -0.02 0.00 0.14 0.00 -0.05 0.00 0.00 27.48 27.55 1ya4 h GLN 288 CO -0.02 0.56 0.56 0.15 -0.95 0.00 0.00 178.83 179.14 1ya4 s LYS 289 N -3.44 2.94 0.60 1.46 -0.14 -0.62 -5.00 119.74 115.53 1ya4 s LYS 289 Ca 0.00 2.12 -0.08 0.00 -1.36 0.00 0.00 55.97 56.65 1ya4 s LYS 289 Cb 0.11 -2.08 -0.02 0.00 -1.68 0.00 0.00 37.83 34.16 1ya4 s LYS 289 CO 0.74 -1.31 0.95 0.95 -0.76 0.00 0.00 175.35 175.92 1ya4 s THR 290 N -1.37 4.24 0.16 2.17 -4.23 -1.26 -4.87 115.64 110.48 1ya4 s THR 290 Ca 0.76 0.42 -0.18 0.00 -1.18 0.00 0.00 61.69 61.51 1ya4 s THR 290 Cb -0.38 -3.69 0.06 0.00 1.34 0.00 0.00 72.50 69.83 1ya4 s THR 290 CO 0.43 -0.80 1.68 -0.08 -0.54 0.00 0.00 174.62 175.31 1ya4 h GLU 291 N -0.22 0.02 -0.95 3.99 4.81 -1.97 0.01 114.58 120.26 1ya4 h GLU 291 Ca -0.45 -0.00 0.08 0.00 -0.13 0.00 0.00 59.36 58.86 1ya4 h GLU 291 Cb 1.22 -0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.53 1ya4 h GLU 291 CO 0.62 0.01 0.60 0.93 -0.73 0.00 0.00 179.01 180.44 1ya4 h GLU 292 N 0.02 1.01 -0.63 1.92 3.07 -1.98 0.52 114.58 118.52 1ya4 h GLU 292 Ca 0.17 -0.06 -0.00 0.00 -0.50 0.00 0.00 59.36 58.97 1ya4 h GLU 292 Cb 0.25 -0.23 -0.03 0.00 -0.84 0.00 0.00 28.75 27.90 1ya4 h GLU 292 CO -0.34 0.67 0.39 0.93 -1.40 0.00 0.00 179.01 179.26 1ya4 h GLU 293 N 1.04 0.84 0.01 2.33 5.08 -1.43 0.24 114.58 122.70 1ya4 h GLU 293 Ca 0.43 -0.07 -0.22 0.00 -1.00 0.00 0.00 59.36 58.50 1ya4 h GLU 293 Cb 0.26 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 1ya4 h GLU 293 CO -0.20 0.59 -0.94 -0.07 -1.00 0.00 0.00 179.01 177.39 1ya4 h LEU 294 N 0.85 0.38 -1.20 1.33 3.38 0.17 -1.95 115.31 118.28 1ya4 h LEU 294 Ca 0.23 -0.32 -0.07 0.00 0.09 0.00 0.00 57.88 57.80 1ya4 h LEU 294 Cb -0.05 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1ya4 h LEU 294 CO -0.04 1.13 -0.25 0.25 0.09 0.00 0.00 178.44 179.61 1ya4 h LEU 295 N 0.15 0.23 -0.31 1.67 5.85 0.33 0.12 115.31 123.36 1ya4 h LEU 295 Ca -0.07 -0.07 -0.10 0.00 0.84 0.00 0.00 57.88 58.49 1ya4 h LEU 295 Cb 1.58 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.54 1ya4 h LEU 295 CO 0.15 0.49 -0.18 -0.08 -0.34 0.00 0.00 178.44 178.49 1ya4 h GLU 296 N 0.21 0.67 -0.70 1.25 4.81 -0.44 -2.60 114.58 117.78 1ya4 h GLU 296 Ca 0.03 -0.31 -0.04 0.00 -0.13 0.00 0.00 59.36 58.92 1ya4 h GLU 296 Cb 0.57 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.91 1ya4 h GLU 296 CO 0.04 0.90 0.28 1.15 -0.73 0.00 0.00 179.01 180.66 1ya4 h THR 297 N 0.43 1.24 -0.80 0.32 2.02 -0.79 -1.80 112.91 113.52 1ya4 h THR 297 Ca 0.07 -0.75 0.06 0.00 0.77 0.00 0.00 66.41 66.55 1ya4 h THR 297 Cb 0.72 0.40 -0.06 0.00 -1.74 0.00 0.00 68.15 67.47 1ya4 h THR 297 CO 0.05 0.30 0.49 0.74 0.37 0.00 0.00 175.52 177.47 1ya4 h THR 298 N 1.02 1.02 0.32 3.16 2.02 -0.77 0.35 112.91 120.03 1ya4 h THR 298 Ca 0.24 -0.31 -0.02 0.00 0.77 0.00 0.00 66.41 67.10 1ya4 h THR 298 Cb 0.19 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.66 1ya4 h THR 298 CO -0.02 0.16 -0.15 -0.07 0.37 0.00 0.00 175.52 175.81 1ya4 h LEU 299 N 0.89 -0.37 -0.75 2.58 3.38 -1.13 -3.24 115.31 116.66 1ya4 h LEU 299 Ca 0.35 -0.17 0.17 0.00 0.09 0.00 0.00 57.88 58.32 1ya4 h LEU 299 Cb 0.17 0.09 -0.12 0.00 0.09 0.00 0.00 40.66 40.90 1ya4 h LEU 299 CO -0.17 0.01 0.15 0.11 0.09 0.00 0.00 178.44 178.63 1ya4 h LYS 300 N -0.80 0.22 0.00 1.13 1.57 -0.84 0.14 116.57 117.99 1ya4 h LYS 300 Ca -0.04 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1ya4 h LYS 300 Cb 0.52 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1ya4 h LYS 300 CO 0.07 0.15 0.19 0.52 -0.57 0.00 0.00 179.45 179.81 1ya4 h MET 301 N 0.23 0.00 -6.41 3.15 2.86 -0.97 -3.46 114.93 110.33 1ya4 h MET 301 Ca 0.43 0.00 -0.47 0.00 -2.06 0.00 0.00 59.70 57.60 1ya4 h MET 301 Cb 0.76 0.00 0.06 0.00 0.06 0.00 0.00 31.60 32.48 1ya4 h MET 301 CO -0.56 0.00 -0.96 1.63 1.06 0.00 0.00 176.91 178.09 1ya4 n LYS 302 N -2.22 -0.98 -2.15 1.72 5.02 0.48 -4.97 118.16 115.07 1ya4 n LYS 302 Ca -0.01 0.36 -0.27 0.00 -2.02 0.00 0.00 58.31 56.37 1ya4 n LYS 302 Cb 0.21 -3.72 0.11 0.00 -0.02 0.00 0.00 35.03 31.61 1ya4 n LYS 302 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1ya4 s PHE 303 N -3.48 2.41 0.00 2.13 0.40 -1.26 -4.14 117.98 114.04 1ya4 s PHE 303 Ca 0.48 0.35 0.00 0.00 -0.60 0.00 0.00 56.93 57.16 1ya4 s PHE 303 Cb -0.20 -3.43 0.00 0.00 0.51 0.00 0.00 43.02 39.90 1ya4 s PHE 303 CO 0.89 -1.80 0.00 1.28 0.70 0.00 0.00 175.22 176.29 1ya4 n LEU 304 N -3.17 0.52 -4.30 -0.37 4.77 -0.78 -4.92 117.00 108.76 1ya4 n LEU 304 Ca 0.11 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.76 1ya4 n LEU 304 Cb 0.60 -0.96 -0.15 0.00 -2.33 0.00 0.00 43.42 40.58 1ya4 n LEU 304 CO 0.50 -0.26 -0.46 -0.44 -1.33 0.00 0.00 177.39 175.39 1ya4 s SER 305 N -2.17 3.79 -0.11 -1.43 0.01 -1.26 -4.30 113.70 108.23 1ya4 s SER 305 Ca 0.00 -0.42 -0.29 0.00 1.31 0.00 0.00 55.95 56.54 1ya4 s SER 305 Cb 0.00 -1.59 -0.05 0.00 0.21 0.00 0.00 66.02 64.60 1ya4 s SER 305 CO 0.00 0.10 1.69 -0.22 0.41 0.00 0.00 173.24 175.22 1ya4 s LEU 306 N 0.72 4.16 -0.30 2.44 2.96 -1.22 -4.95 118.68 122.48 1ya4 s LEU 306 Ca -0.06 2.07 -0.28 0.00 -0.22 0.00 0.00 54.13 55.63 1ya4 s LEU 306 Cb -0.15 -3.53 0.01 0.00 0.50 0.00 0.00 46.19 43.02 1ya4 s LEU 306 CO 0.01 -1.09 1.03 -0.62 -1.32 0.00 0.00 176.35 174.37 1ya4 s ASP 307 N 3.94 6.92 0.00 3.68 3.68 -1.26 -4.91 116.67 128.72 1ya4 s ASP 307 Ca 0.75 1.05 0.23 0.00 2.13 0.00 0.00 52.55 56.70 1ya4 s ASP 307 Cb -0.31 -2.52 0.06 0.00 -1.45 0.00 0.00 42.92 38.69 1ya4 s ASP 307 CO 0.30 -0.82 1.11 0.18 0.13 0.00 0.00 175.17 176.08 1ya4 n LEU 308 N 6.70 1.17 -3.84 -1.34 4.77 -1.26 -4.82 117.00 118.38 1ya4 n LEU 308 Ca 0.11 -0.45 -0.29 0.00 -0.03 0.00 0.00 56.01 55.35 1ya4 n LEU 308 Cb 0.47 -0.06 -0.16 0.00 -2.33 0.00 0.00 43.42 41.34 1ya4 n LEU 308 CO 0.57 0.25 -0.40 0.00 -1.33 0.00 0.00 177.39 176.49 1ya4 s GLN 309 N -2.82 1.14 0.00 3.23 -2.07 -1.26 -5.07 119.66 112.81 1ya4 s GLN 309 Ca 0.13 -0.66 0.00 0.00 -1.82 0.00 0.00 55.36 53.01 1ya4 s GLN 309 Cb 0.17 -2.28 0.00 0.00 -1.09 0.00 0.00 33.01 29.81 1ya4 s GLN 309 CO 0.73 -0.59 0.00 0.41 -1.32 0.00 0.00 175.29 174.52 1ya4 n GLY 310 N 4.87 1.73 3.66 2.60 0.00 -1.26 -5.04 105.19 111.74 1ya4 n GLY 310 Ca -0.11 -1.90 -0.43 0.00 0.00 0.00 0.00 46.02 43.59 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 6.84 0.19 1.61 -1.08 -1.26 -4.88 116.67 118.10 1ya4 s ASP 311 Ca 0.00 1.75 0.14 0.00 -0.52 0.00 0.00 52.55 53.92 1ya4 s ASP 311 Cb 0.00 -2.54 0.73 0.00 -1.46 0.00 0.00 42.92 39.65 1ya4 s ASP 311 CO 0.00 -0.84 1.42 -2.65 0.52 0.00 0.00 175.17 173.62 1ya4 n PRO 312 N 6.82 0.09 0.00 4.34 -0.02 -1.26 -1.55 135.00 143.41 1ya4 n PRO 312 Ca 0.15 0.56 0.13 0.00 -2.02 0.00 0.00 63.50 62.32 1ya4 n PRO 312 Cb 0.45 -1.77 0.43 0.00 -0.02 0.00 0.00 33.50 32.58 1ya4 n PRO 312 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1ya4 n ARG 313 N -1.96 0.79 -0.07 -0.52 1.74 -1.26 -3.79 116.66 111.59 1ya4 n ARG 313 Ca -0.00 -0.43 -0.08 0.00 -0.77 0.00 0.00 57.85 56.57 1ya4 n ARG 313 Cb 0.04 -1.49 -0.10 0.00 -1.02 0.00 0.00 32.46 29.90 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 -0.73 1.49 -1.68 5.56 1.02 -0.60 -4.97 120.64 120.74 1ya4 n GLU 314 Ca 0.13 0.02 -0.47 0.00 -0.02 0.00 0.00 57.16 56.81 1ya4 n GLU 314 Cb 0.33 -1.33 -0.04 0.00 -0.02 0.00 0.00 31.44 30.38 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 -2.61 3.47 -4.43 1.62 2.88 -1.17 -4.93 113.62 108.45 1ya4 n SER 315 Ca -0.23 0.98 -0.43 0.00 -1.33 0.00 0.00 58.87 57.86 1ya4 n SER 315 Cb 0.89 -1.40 -0.09 0.00 -0.75 0.00 0.00 64.21 62.86 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 3.61 2.96 0.24 -1.46 2.00 -1.26 -4.77 119.66 120.99 1ya4 s GLN 316 Ca 0.90 -1.15 -0.04 0.00 -2.00 0.00 0.00 55.36 53.07 1ya4 s GLN 316 Cb -0.66 -4.02 0.40 0.00 0.80 0.00 0.00 33.01 29.53 1ya4 s GLN 316 CO 0.48 -0.85 1.80 -1.00 -0.50 0.00 0.00 175.29 175.22 1ya4 h PRO 317 N 8.66 0.71 0.00 1.67 0.13 -1.92 -3.44 132.00 137.82 1ya4 h PRO 317 Ca -0.27 -0.04 0.01 0.00 -0.87 0.00 0.00 66.00 64.83 1ya4 h PRO 317 Cb 1.12 -0.16 -0.00 0.00 0.13 0.00 0.00 31.00 32.08 1ya4 h PRO 317 CO 0.78 0.47 0.04 1.47 -0.23 0.00 0.00 178.00 180.54 1ya4 n LEU 318 N -4.78 0.00 -4.63 1.56 -0.00 -1.26 -1.86 117.00 106.03 1ya4 n LEU 318 Ca 0.13 -0.05 -0.34 0.00 -0.00 0.00 0.00 56.01 55.75 1ya4 n LEU 318 Cb 0.29 0.13 -0.10 0.00 -0.00 0.00 0.00 43.42 43.75 1ya4 n LEU 318 CO 0.26 -0.02 -0.27 -0.76 -0.00 0.00 0.00 177.39 176.60 1ya4 s LEU 319 N 0.00 3.73 0.00 1.47 1.43 -1.26 -5.08 118.68 118.96 1ya4 s LEU 319 Ca 0.02 0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.19 1ya4 s LEU 319 Cb -0.00 -1.93 0.00 0.00 0.03 0.00 0.00 46.19 44.29 1ya4 s LEU 319 CO 0.00 0.20 0.00 0.61 0.23 0.00 0.00 176.35 177.39 1ya4 n GLY 320 N 3.34 5.99 3.72 -3.19 0.00 -1.26 -4.88 105.19 108.91 1ya4 n GLY 320 Ca -0.17 -1.70 -0.33 0.00 0.00 0.00 0.00 46.02 43.81 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 -0.37 2.43 0.21 2.61 2.01 0.47 -4.75 115.64 118.25 1ya4 s THR 321 Ca 0.00 0.19 -0.03 0.00 0.31 0.00 0.00 61.69 62.16 1ya4 s THR 321 Cb 0.00 -2.64 -0.03 0.00 0.01 0.00 0.00 72.50 69.83 1ya4 s THR 321 CO 0.00 -0.13 0.20 0.68 -0.69 0.00 0.00 174.62 174.67 1ya4 s VAL 322 N -2.22 0.00 -1.08 3.82 -7.23 -1.26 -0.66 120.40 111.77 1ya4 s VAL 322 Ca 0.71 -1.89 -0.12 0.00 -1.81 0.00 0.00 61.98 58.87 1ya4 s VAL 322 Cb -0.26 -2.44 0.23 0.00 0.56 0.00 0.00 36.38 34.46 1ya4 s VAL 322 CO 0.48 -0.00 1.15 -0.63 -0.31 0.00 0.00 175.10 175.79 1ya4 s ILE 323 N -4.13 5.56 0.27 -0.62 -1.09 -1.26 -4.72 121.20 115.20 1ya4 s ILE 323 Ca 0.36 -2.89 0.14 0.00 -2.23 0.00 0.00 60.65 56.03 1ya4 s ILE 323 Cb 0.06 -4.69 0.06 0.00 -1.58 0.00 0.00 42.46 36.31 1ya4 s ILE 323 CO 0.11 -1.31 1.71 -2.24 -1.23 0.00 0.00 174.94 171.98 1ya4 h ASP 324 N 7.17 0.00 0.00 3.58 -0.00 -1.85 -3.48 116.42 121.84 1ya4 h ASP 324 Ca 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.23 1ya4 h ASP 324 Cb 0.91 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.24 1ya4 h ASP 324 CO 1.05 0.47 0.00 0.61 -0.00 0.00 0.00 179.24 181.37 1ya4 n GLY 325 N 0.04 1.84 0.61 7.15 0.00 -1.08 -4.90 105.19 108.85 1ya4 n GLY 325 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.33 0.24 0.02 1.61 2.81 -1.26 -4.67 117.12 114.54 1ya4 n MET 326 Ca 0.00 0.09 -0.19 0.00 -1.81 0.00 0.00 57.70 55.80 1ya4 n MET 326 Cb 0.00 -0.91 -0.11 0.00 -0.71 0.00 0.00 33.22 31.49 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 -0.44 0.62 -7.57 4.03 5.85 -1.94 -3.42 115.31 112.43 1ya4 h LEU 327 Ca 0.00 -0.78 -0.59 0.00 0.84 0.00 0.00 57.88 57.35 1ya4 h LEU 327 Cb 0.44 -0.19 -0.38 0.00 0.37 0.00 0.00 40.66 40.90 1ya4 h LEU 327 CO 0.00 1.32 -0.78 -0.76 -0.34 0.00 0.00 178.44 177.88 1ya4 s LEU 328 N -8.22 2.31 0.11 2.25 1.43 -1.26 -4.18 118.68 111.13 1ya4 s LEU 328 Ca -0.12 -1.11 0.20 0.00 -1.03 0.00 0.00 54.13 52.07 1ya4 s LEU 328 Cb 0.04 -1.07 0.83 0.00 0.03 0.00 0.00 46.19 46.01 1ya4 s LEU 328 CO 0.85 -0.25 1.62 0.18 0.23 0.00 0.00 176.35 178.99 1ya4 n LEU 329 N 4.74 0.31 -3.67 1.79 4.77 -1.26 -2.65 117.00 121.02 1ya4 n LEU 329 Ca -0.11 0.57 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 1ya4 n LEU 329 Cb 0.45 -0.51 -0.01 0.00 -2.33 0.00 0.00 43.42 41.02 1ya4 n LEU 329 CO 0.17 -0.33 0.96 -1.59 -1.33 0.00 0.00 177.39 175.26 1ya4 s LYS 330 N -3.12 0.65 0.29 3.23 -2.85 -1.26 -4.82 119.74 111.86 1ya4 s LYS 330 Ca 0.07 -0.37 -0.29 0.00 -1.00 0.00 0.00 55.97 54.39 1ya4 s LYS 330 Cb 0.11 0.22 -0.14 0.00 -2.06 0.00 0.00 37.83 35.96 1ya4 s LYS 330 CO 0.36 -0.30 1.13 0.25 0.10 0.00 0.00 175.35 176.90 1ya4 n THR 331 N -0.50 1.82 -0.28 3.79 -2.24 -1.26 -4.65 114.28 110.96 1ya4 n THR 331 Ca -0.07 -0.46 0.06 0.00 -2.27 0.00 0.00 64.05 61.31 1ya4 n THR 331 Cb 0.62 -1.19 0.16 0.00 -2.10 0.00 0.00 70.33 67.82 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 2.45 0.05 -0.20 -0.78 0.11 -1.99 -0.36 132.00 131.28 1ya4 h PRO 332 Ca -0.42 -0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.73 1ya4 h PRO 332 Cb 1.32 -0.01 -0.07 0.00 0.11 0.00 0.00 31.00 32.35 1ya4 h PRO 332 CO 0.63 0.03 -0.50 0.93 -0.21 0.00 0.00 178.00 178.89 1ya4 h GLU 333 N 0.05 -0.48 -0.36 1.05 3.07 -1.88 -0.97 114.58 115.05 1ya4 h GLU 333 Ca 0.43 0.03 0.05 0.00 -0.50 0.00 0.00 59.36 59.37 1ya4 h GLU 333 Cb 0.75 0.11 -0.04 0.00 -0.84 0.00 0.00 28.75 28.73 1ya4 h GLU 333 CO -0.76 -0.32 0.10 0.93 -1.40 0.00 0.00 179.01 177.56 1ya4 h GLU 334 N -0.50 0.23 -0.01 2.33 5.08 -1.46 -3.08 114.58 117.17 1ya4 h GLU 334 Ca 0.07 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.45 1ya4 h GLU 334 Cb 0.65 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.79 1ya4 h GLU 334 CO -0.47 0.15 -0.34 -0.07 -1.00 0.00 0.00 179.01 177.28 1ya4 h LEU 335 N 0.24 -1.03 0.00 1.33 3.38 -0.47 -0.60 115.31 118.15 1ya4 h LEU 335 Ca 0.17 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.27 1ya4 h LEU 335 Cb 0.17 0.41 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1ya4 h LEU 335 CO -0.20 -0.40 0.00 0.00 0.09 0.00 0.00 178.44 177.93 1ya4 n GLN 336 N -5.42 0.08 0.08 1.13 10.64 -0.44 -1.87 117.38 121.57 1ya4 n GLN 336 Ca -0.05 0.18 -0.13 0.00 -1.83 0.00 0.00 57.00 55.18 1ya4 n GLN 336 Cb 0.34 -1.50 -0.08 0.00 -0.86 0.00 0.00 30.24 28.13 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 2.22 -0.23 -2.23 2.61 0.00 -1.03 -3.40 119.26 117.19 1ya4 h ALA 337 Ca 0.00 -0.20 -0.62 0.00 0.00 0.00 0.00 54.91 54.09 1ya4 h ALA 337 Cb 0.03 0.09 -0.12 0.00 0.00 0.00 0.00 17.79 17.79 1ya4 h ALA 337 CO 0.00 -0.42 0.30 -1.21 0.00 0.00 0.00 179.25 177.91 1ya4 s GLU 338 N -4.43 3.74 0.00 0.00 8.01 -0.78 -4.90 118.70 120.34 1ya4 s GLU 338 Ca -0.14 0.24 0.08 0.00 0.01 0.00 0.00 54.97 55.15 1ya4 s GLU 338 Cb 0.02 -3.80 0.47 0.00 -4.31 0.00 0.00 34.13 26.51 1ya4 s GLU 338 CO 0.58 -0.80 0.91 0.54 0.01 0.00 0.00 175.26 176.50 1ya4 n ARG 339 N 6.28 0.27 -2.62 1.61 3.00 -1.26 -4.43 116.66 119.50 1ya4 n ARG 339 Ca 0.02 0.00 -0.43 0.00 -0.01 0.00 0.00 57.85 57.43 1ya4 n ARG 339 Cb 0.48 -1.46 -0.01 0.00 0.00 0.00 0.00 32.46 31.48 1ya4 n ARG 339 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 1ya4 s ASN 340 N -1.98 6.76 0.00 0.55 -0.87 -1.26 -4.79 114.94 113.35 1ya4 s ASN 340 Ca 0.12 -2.20 -0.00 0.00 -1.57 0.00 0.00 52.86 49.21 1ya4 s ASN 340 Cb 0.05 -2.55 0.00 0.00 -0.02 0.00 0.00 41.25 38.73 1ya4 s ASN 340 CO 0.09 -1.22 0.00 2.22 -2.57 0.00 0.00 177.10 175.62 1ya4 n PHE 341 N 8.22 -0.78 -2.82 2.20 1.16 -1.26 -5.12 117.46 119.07 1ya4 n PHE 341 Ca 0.42 -0.01 -0.43 0.00 -1.87 0.00 0.00 57.45 55.57 1ya4 n PHE 341 Cb 0.47 0.00 -0.04 0.00 -1.61 0.00 0.00 39.48 38.31 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 -7.43 3.03 -0.18 2.97 5.65 -1.26 -5.02 115.29 113.06 1ya4 s HIS 342 Ca 0.00 0.65 -0.09 0.00 0.25 0.00 0.00 55.06 55.88 1ya4 s HIS 342 Cb -0.00 -3.73 -0.05 0.00 -1.18 0.00 0.00 32.58 27.62 1ya4 s HIS 342 CO 0.00 -0.90 0.12 0.95 -0.65 0.00 0.00 174.74 174.26 1ya4 s THR 343 N 3.54 5.32 0.14 0.89 -4.23 -1.26 -4.89 115.64 115.15 1ya4 s THR 343 Ca 0.38 0.15 -0.05 0.00 -1.18 0.00 0.00 61.69 60.99 1ya4 s THR 343 Cb -0.11 -3.40 -0.02 0.00 1.34 0.00 0.00 72.50 70.31 1ya4 s THR 343 CO 0.21 0.49 0.16 0.68 -0.54 0.00 0.00 174.62 175.62 1ya4 s VAL 344 N 0.02 0.09 0.10 2.29 -7.23 -1.26 -5.03 120.40 109.38 1ya4 s VAL 344 Ca 0.09 -1.63 -0.34 0.00 -1.81 0.00 0.00 61.98 58.28 1ya4 s VAL 344 Cb -0.11 -1.90 -0.14 0.00 0.56 0.00 0.00 36.38 34.79 1ya4 s VAL 344 CO -0.00 -0.42 1.61 -2.65 -0.31 0.00 0.00 175.10 173.33 1ya4 n PRO 345 N -0.14 2.03 -3.84 4.82 -0.02 -1.26 -4.59 135.00 132.00 1ya4 n PRO 345 Ca -0.07 0.73 -0.27 0.00 -2.02 0.00 0.00 63.50 61.87 1ya4 n PRO 345 Cb 0.63 -2.50 -0.17 0.00 -0.02 0.00 0.00 33.50 31.45 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 1.49 1.41 -0.27 6.00 6.04 -0.67 -1.10 117.35 130.25 1ya4 s TYR 346 Ca 0.82 -0.89 -0.13 0.00 0.04 0.00 0.00 57.07 56.92 1ya4 s TYR 346 Cb -0.72 -1.18 -0.04 0.00 -1.04 0.00 0.00 41.96 38.98 1ya4 s TYR 346 CO 0.42 -0.57 0.28 1.41 -1.54 0.00 0.00 175.55 175.55 1ya4 s MET 347 N 1.73 4.01 -0.18 4.97 -2.45 0.33 -2.52 119.30 125.18 1ya4 s MET 347 Ca 0.01 -0.12 0.01 0.00 -1.25 0.00 0.00 55.69 54.34 1ya4 s MET 347 Cb -0.15 -3.64 0.03 0.00 1.25 0.00 0.00 34.83 32.32 1ya4 s MET 347 CO -0.07 -0.19 -0.13 0.08 1.05 0.00 0.00 175.02 175.76 1ya4 s VAL 348 N 1.80 1.70 0.27 10.11 1.01 -0.14 -0.35 120.40 134.81 1ya4 s VAL 348 Ca 0.11 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 61.20 1ya4 s VAL 348 Cb -0.16 -1.69 -0.05 0.00 0.00 0.00 0.00 36.38 34.49 1ya4 s VAL 348 CO 0.10 0.30 0.10 -0.83 0.00 0.00 0.00 175.10 174.77 1ya4 s GLY 349 N 1.40 1.83 0.28 4.51 0.00 -0.68 -3.11 107.32 111.55 1ya4 s GLY 349 Ca 0.01 -1.86 0.01 0.00 0.00 0.00 0.00 44.72 42.88 1ya4 s GLY 349 CO -0.10 -1.63 0.28 -0.26 0.00 0.00 0.00 173.10 171.39 1ya4 s ILE 350 N -3.67 0.00 0.17 0.90 -4.36 -0.83 -1.35 121.20 112.06 1ya4 s ILE 350 Ca 0.37 -1.88 0.08 0.00 -0.26 0.00 0.00 60.65 58.96 1ya4 s ILE 350 Cb 0.08 -2.50 -0.04 0.00 1.25 0.00 0.00 42.46 41.24 1ya4 s ILE 350 CO 0.14 0.00 -0.07 0.20 0.24 0.00 0.00 174.94 175.45 1ya4 s ASN 351 N -3.25 4.40 0.25 4.36 0.02 -1.26 -1.20 114.94 118.26 1ya4 s ASN 351 Ca 0.37 -0.52 -0.04 0.00 -1.02 0.00 0.00 52.86 51.65 1ya4 s ASN 351 Cb 0.03 -0.81 0.50 0.00 0.02 0.00 0.00 41.25 41.00 1ya4 s ASN 351 CO 0.19 0.10 1.67 0.50 0.02 0.00 0.00 177.10 179.59 1ya4 h LYS 352 N 2.90 0.21 -2.42 -0.60 1.63 -0.65 -3.31 116.57 114.34 1ya4 h LYS 352 Ca -0.47 -0.01 -0.59 0.00 -0.85 0.00 0.00 60.65 58.73 1ya4 h LYS 352 Cb 1.20 -0.05 -0.40 0.00 -0.60 0.00 0.00 32.23 32.38 1ya4 h LYS 352 CO 0.55 0.14 -0.83 1.04 -3.45 0.00 0.00 179.45 176.90 1ya4 n GLN 353 N -5.21 1.21 -0.12 1.90 6.02 0.53 -4.97 117.38 116.73 1ya4 n GLN 353 Ca 0.15 -3.82 -0.05 0.00 -0.01 0.00 0.00 57.00 53.27 1ya4 n GLN 353 Cb 0.50 -1.83 0.03 0.00 1.02 0.00 0.00 30.24 29.96 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 4.87 0.20 -0.73 -1.09 4.39 -1.64 -1.99 114.58 118.58 1ya4 h GLU 354 Ca 0.18 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.86 1ya4 h GLU 354 Cb 0.81 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.42 1ya4 h GLU 354 CO 0.58 0.13 0.00 0.34 -1.16 0.00 0.00 179.01 178.90 1ya4 n PHE 355 N -5.10 1.35 0.04 4.33 -0.00 -1.26 -2.97 117.46 113.85 1ya4 n PHE 355 Ca 0.03 -0.47 0.01 0.00 -0.00 0.00 0.00 57.45 57.02 1ya4 n PHE 355 Cb 0.18 -0.37 0.34 0.00 -0.00 0.00 0.00 39.48 39.64 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 4.38 0.45 0.00 7.13 0.00 -1.66 -3.42 103.07 109.94 1ya4 h GLY 356 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.07 1ya4 h GLY 356 CO 0.32 0.24 0.00 1.87 0.00 0.00 0.00 176.54 178.97 1ya4 n TRP 357 N -4.29 -4.08 -0.24 5.60 -0.00 -1.26 -4.98 117.44 108.19 1ya4 n TRP 357 Ca 0.01 1.17 -0.04 0.00 -0.00 0.00 0.00 57.50 58.64 1ya4 n TRP 357 Cb 0.24 3.04 0.02 0.00 -0.00 0.00 0.00 31.31 34.61 1ya4 n TRP 357 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 177.69 178.94 1ya4 h LEU 358 N 0.00 -1.20 0.67 5.87 5.85 -1.89 0.26 115.31 124.88 1ya4 h LEU 358 Ca 0.00 0.24 -0.03 0.00 0.84 0.00 0.00 57.88 58.93 1ya4 h LEU 358 Cb 0.00 0.61 0.01 0.00 0.37 0.00 0.00 40.66 41.64 1ya4 h LEU 358 CO 0.00 -0.30 -0.32 0.40 -0.34 0.00 0.00 178.44 177.88 1ya4 h ILE 359 N -0.13 0.13 -0.95 4.05 2.04 -1.89 -2.65 117.51 118.11 1ya4 h ILE 359 Ca 0.26 -0.30 0.15 0.00 1.00 0.00 0.00 64.86 65.97 1ya4 h ILE 359 Cb 0.56 0.18 -0.09 0.00 -0.74 0.00 0.00 36.82 36.73 1ya4 h ILE 359 CO -0.74 0.02 0.57 -0.65 0.00 0.00 0.00 178.15 177.35 1ya4 h PRO 360 N -1.16 0.80 -0.20 2.37 0.11 -1.76 -2.37 132.00 129.78 1ya4 h PRO 360 Ca -0.09 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.97 1ya4 h PRO 360 Cb 0.72 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.64 1ya4 h PRO 360 CO 0.15 0.53 0.11 1.98 -0.21 0.00 0.00 178.00 180.56 1ya4 h MET 361 N 0.82 0.27 -0.01 1.05 1.85 -0.51 -2.15 114.93 116.24 1ya4 h MET 361 Ca 0.51 -0.03 -0.00 0.00 -0.61 0.00 0.00 59.70 59.57 1ya4 h MET 361 Cb 0.65 -0.05 -0.00 0.00 0.43 0.00 0.00 31.60 32.63 1ya4 h MET 361 CO -0.32 0.25 0.01 -0.07 -0.40 0.00 0.00 176.91 176.37 1ya4 h LEU 363 N 0.22 0.02 0.00 3.39 3.38 -1.07 -2.39 115.31 118.85 1ya4 h LEU 363 Ca 0.07 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1ya4 h LEU 363 Cb 0.06 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1ya4 h LEU 363 CO -0.01 0.11 0.00 0.23 0.09 0.00 0.00 178.44 178.86 1ya4 n MET 364 N -5.03 0.60 -2.72 1.13 2.81 -0.93 -4.93 117.12 108.05 1ya4 n MET 364 Ca -0.07 0.00 -0.03 0.00 -1.81 0.00 0.00 57.70 55.79 1ya4 n MET 364 Cb 0.07 -1.45 -0.02 0.00 -0.71 0.00 0.00 33.22 31.11 1ya4 n MET 364 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1ya4 n SER 365 N -0.95 -4.51 -4.67 7.83 7.64 -0.83 -3.38 113.62 114.74 1ya4 n SER 365 Ca 0.13 1.32 -0.31 0.00 1.01 0.00 0.00 58.87 61.02 1ya4 n SER 365 Cb 0.06 -4.91 -0.08 0.00 -1.01 0.00 0.00 64.21 58.27 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 -1.09 2.98 -1.82 1.43 1.51 -1.07 -4.74 117.35 114.56 1ya4 s TYR 366 Ca -0.13 -0.02 0.00 0.00 -1.01 0.00 0.00 57.07 55.91 1ya4 s TYR 366 Cb 0.01 -1.56 0.00 0.00 -0.11 0.00 0.00 41.96 40.30 1ya4 s TYR 366 CO 0.71 0.47 0.30 -2.30 -1.11 0.00 0.00 175.55 173.62 1ya4 n PRO 367 N 0.78 0.33 -0.74 -1.71 -0.02 -1.26 -4.01 135.00 128.37 1ya4 n PRO 367 Ca -0.12 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.22 1ya4 n PRO 367 Cb 0.52 -1.03 0.06 0.00 -0.02 0.00 0.00 33.50 33.03 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 -0.35 5.62 0.02 2.45 4.77 -1.26 -4.17 117.00 124.07 1ya4 n LEU 368 Ca 0.00 -2.90 0.10 0.00 -0.03 0.00 0.00 56.01 53.18 1ya4 n LEU 368 Cb 0.02 -0.85 0.43 0.00 -2.33 0.00 0.00 43.42 40.68 1ya4 n LEU 368 CO 0.00 0.99 0.82 -1.20 -1.33 0.00 0.00 177.39 176.67 1ya4 n SER 369 N 0.02 0.09 0.12 -1.43 7.64 -1.26 -2.00 113.62 116.80 1ya4 n SER 369 Ca 0.29 0.52 0.11 0.00 1.01 0.00 0.00 58.87 60.80 1ya4 n SER 369 Cb 0.83 -0.54 0.02 0.00 -1.01 0.00 0.00 64.21 63.51 1ya4 n SER 369 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1ya4 h GLU 370 N 0.00 0.00 -1.12 1.43 4.39 -1.95 -3.48 114.58 113.85 1ya4 h GLU 370 Ca 0.00 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.45 1ya4 h GLU 370 Cb 0.37 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.95 1ya4 h GLU 370 CO 0.00 0.02 -0.27 0.41 -1.16 0.00 0.00 179.01 178.01 1ya4 n GLY 371 N 1.18 0.68 3.49 -3.84 0.00 -0.85 -4.97 105.19 100.88 1ya4 n GLY 371 Ca 0.00 -0.41 -0.14 0.00 0.00 0.00 0.00 46.02 45.48 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 -3.75 1.05 0.30 1.61 -2.07 -1.26 -4.41 119.66 111.12 1ya4 s GLN 372 Ca 0.00 -0.09 -0.01 0.00 -1.82 0.00 0.00 55.36 53.44 1ya4 s GLN 372 Cb 0.00 0.49 -0.01 0.00 -1.09 0.00 0.00 33.01 32.39 1ya4 s GLN 372 CO 0.00 -0.40 0.36 -1.17 -1.32 0.00 0.00 175.29 172.76 1ya4 s LEU 373 N -1.91 1.14 -0.11 2.60 2.96 -1.19 -4.89 118.68 117.28 1ya4 s LEU 373 Ca -0.03 -1.47 -0.20 0.00 -0.22 0.00 0.00 54.13 52.21 1ya4 s LEU 373 Cb -0.01 1.07 0.05 0.00 0.50 0.00 0.00 46.19 47.80 1ya4 s LEU 373 CO -0.02 -1.13 0.48 1.51 -1.32 0.00 0.00 176.35 175.87 1ya4 s ASP 374 N -3.23 -0.46 0.08 3.68 -4.77 -1.26 -4.37 116.67 106.34 1ya4 s ASP 374 Ca 0.34 0.68 -0.01 0.00 -3.30 0.00 0.00 52.55 50.26 1ya4 s ASP 374 Cb 0.02 0.72 0.17 0.00 -1.09 0.00 0.00 42.92 42.73 1ya4 s ASP 374 CO 0.19 -0.35 0.41 0.00 0.70 0.00 0.00 175.17 176.13 1ya4 n GLN 375 N 1.96 -0.02 0.28 2.11 1.13 -1.26 0.25 117.38 121.82 1ya4 n GLN 375 Ca -0.17 0.40 -0.14 0.00 -1.94 0.00 0.00 57.00 55.15 1ya4 n GLN 375 Cb 0.56 -0.62 -0.07 0.00 0.11 0.00 0.00 30.24 30.23 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 -0.71 -0.61 -1.09 1.57 -1.99 -2.16 116.57 111.56 1ya4 h LYS 376 Ca 0.14 0.05 0.08 0.00 -1.87 0.00 0.00 60.65 59.06 1ya4 h LYS 376 Cb 0.27 0.16 -0.07 0.00 0.08 0.00 0.00 32.23 32.67 1ya4 h LYS 376 CO -0.26 -0.41 0.26 1.15 -0.57 0.00 0.00 179.45 179.62 1ya4 h THR 377 N -1.08 0.82 0.08 -0.16 2.02 -0.61 -2.56 112.91 111.42 1ya4 h THR 377 Ca -0.08 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 66.94 1ya4 h THR 377 Cb 0.63 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 1ya4 h THR 377 CO 0.12 0.09 -0.14 0.00 0.37 0.00 0.00 175.52 175.96 1ya4 h ALA 378 N 1.39 -0.76 -1.42 6.16 0.00 -0.94 -0.90 119.26 122.80 1ya4 h ALA 378 Ca 0.30 -0.04 0.41 0.00 0.00 0.00 0.00 54.91 55.58 1ya4 h ALA 378 Cb 0.33 0.48 -0.06 0.00 0.00 0.00 0.00 17.79 18.55 1ya4 h ALA 378 CO -0.27 -0.78 1.09 0.52 0.00 0.00 0.00 179.25 179.81 1ya4 h MET 379 N -0.23 0.00 0.07 0.00 2.07 -1.21 0.38 114.93 116.00 1ya4 h MET 379 Ca -0.01 0.00 -0.00 0.00 -2.07 0.00 0.00 59.70 57.62 1ya4 h MET 379 Cb 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.94 1ya4 h MET 379 CO -0.05 0.00 -0.03 1.03 1.07 0.00 0.00 176.91 178.93 1ya4 h SER 380 N 0.00 -0.08 0.32 1.22 0.87 -0.97 -2.94 113.55 111.97 1ya4 h SER 380 Ca 0.68 -0.54 -0.00 0.00 -1.23 0.00 0.00 61.79 60.69 1ya4 h SER 380 Cb 2.85 0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 64.80 1ya4 h SER 380 CO -0.01 0.59 -0.52 -0.07 -0.53 0.00 0.00 176.83 176.30 1ya4 h LEU 381 N -0.85 -1.48 -1.07 2.23 3.38 0.10 0.39 115.31 118.01 1ya4 h LEU 381 Ca -0.01 0.14 0.37 0.00 0.09 0.00 0.00 57.88 58.47 1ya4 h LEU 381 Cb 0.62 0.52 -0.15 0.00 0.09 0.00 0.00 40.66 41.73 1ya4 h LEU 381 CO 0.02 -0.62 0.60 0.25 0.09 0.00 0.00 178.44 178.78 1ya4 h LEU 382 N -0.89 0.42 -0.15 1.67 5.85 -1.09 0.55 115.31 121.67 1ya4 h LEU 382 Ca -0.03 0.20 -0.06 0.00 0.84 0.00 0.00 57.88 58.83 1ya4 h LEU 382 Cb 0.82 0.17 -0.00 0.00 0.37 0.00 0.00 40.66 42.02 1ya4 h LEU 382 CO -0.17 -0.23 -0.12 -0.25 -0.34 0.00 0.00 178.44 177.33 1ya4 h TRP 383 N 0.19 0.41 0.00 1.25 -0.00 -0.98 -2.75 115.95 114.08 1ya4 h TRP 383 Ca 0.78 -0.12 0.00 0.00 -0.00 0.00 0.00 58.89 59.55 1ya4 h TRP 383 Cb 1.98 -0.09 0.00 0.00 -0.00 0.00 0.00 29.16 31.05 1ya4 h TRP 383 CO -0.01 0.72 0.00 1.63 -0.00 0.00 0.00 178.44 180.78 1ya4 n LYS 384 N -4.58 0.29 -0.46 2.65 5.02 0.16 -1.23 118.16 120.01 1ya4 n LYS 384 Ca -0.06 0.11 0.09 0.00 -2.02 0.00 0.00 58.31 56.42 1ya4 n LYS 384 Cb 0.34 -1.50 0.29 0.00 -0.02 0.00 0.00 35.03 34.15 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 -1.23 4.13 -0.30 4.39 7.64 0.54 -4.65 113.62 124.13 1ya4 n SER 385 Ca 0.09 -2.36 0.10 0.00 1.01 0.00 0.00 58.87 57.71 1ya4 n SER 385 Cb 0.12 -0.48 0.22 0.00 -1.01 0.00 0.00 64.21 63.05 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 3.36 -0.02 -0.67 1.43 3.20 -1.13 0.19 116.97 123.33 1ya4 h TYR 386 Ca 0.00 0.06 0.11 0.00 3.14 0.00 0.00 58.73 62.04 1ya4 h TYR 386 Cb 1.22 0.15 -0.04 0.00 1.54 0.00 0.00 36.73 39.60 1ya4 h TYR 386 CO 0.57 -0.31 0.45 -1.00 -1.64 0.00 0.00 178.16 176.23 1ya4 h PRO 387 N 0.08 0.47 0.13 1.82 0.13 -1.83 1.06 132.00 133.86 1ya4 h PRO 387 Ca 0.50 -0.03 -0.22 0.00 -0.87 0.00 0.00 66.00 65.38 1ya4 h PRO 387 Cb 0.96 -0.11 0.02 0.00 0.13 0.00 0.00 31.00 32.00 1ya4 h PRO 387 CO -0.77 0.31 -0.94 -0.07 -0.23 0.00 0.00 178.00 176.30 1ya4 h LEU 388 N 0.48 0.61 0.00 1.56 3.38 -1.02 -3.40 115.31 116.92 1ya4 h LEU 388 Ca 0.31 -0.89 -0.25 0.00 0.09 0.00 0.00 57.88 57.14 1ya4 h LEU 388 Cb 0.57 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.08 1ya4 h LEU 388 CO -0.10 1.44 -1.94 1.33 0.09 0.00 0.00 178.44 179.27 1ya4 n VAL 389 N -4.03 0.94 -2.93 1.22 0.24 -0.79 -4.21 118.33 108.76 1ya4 n VAL 389 Ca -0.14 -0.54 -0.11 0.00 -2.04 0.00 0.00 64.34 61.51 1ya4 n VAL 389 Cb 0.86 -0.72 0.05 0.00 -1.47 0.00 0.00 33.84 32.57 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 -3.22 5.01 0.41 0.00 1.01 -1.26 -5.07 121.20 118.09 1ya4 s ILE 391 Ca 0.07 0.06 -0.26 0.00 0.00 0.00 0.00 60.65 60.52 1ya4 s ILE 391 Cb -0.03 -3.34 -0.10 0.00 0.01 0.00 0.00 42.46 39.00 1ya4 s ILE 391 CO 0.45 0.33 1.32 0.00 0.00 0.00 0.00 174.94 177.04 1ya4 n ALA 392 N 4.57 1.51 0.30 9.38 0.00 -1.26 -4.78 120.51 130.22 1ya4 n ALA 392 Ca -0.15 0.28 0.15 0.00 0.00 0.00 0.00 53.44 53.72 1ya4 n ALA 392 Cb 0.52 -2.30 0.80 0.00 0.00 0.00 0.00 19.45 18.47 1ya4 n ALA 392 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1ya4 h LYS 393 N 2.25 0.00 0.22 0.00 1.63 -1.97 -1.29 116.57 117.41 1ya4 h LYS 393 Ca -0.48 0.00 -0.34 0.00 -0.85 0.00 0.00 60.65 58.98 1ya4 h LYS 393 Cb 1.28 0.00 0.02 0.00 -0.60 0.00 0.00 32.23 32.94 1ya4 h LYS 393 CO 0.61 0.00 -1.57 1.05 -3.45 0.00 0.00 179.45 176.08 1ya4 h GLU 394 N 0.00 0.46 0.00 1.90 9.09 -2.03 -3.33 114.58 120.67 1ya4 h GLU 394 Ca 0.00 -0.79 -0.01 0.00 0.05 0.00 0.00 59.36 58.61 1ya4 h GLU 394 Cb 0.48 0.30 -0.00 0.00 -1.65 0.00 0.00 28.75 27.87 1ya4 h GLU 394 CO 0.00 1.38 -0.05 -0.07 0.05 0.00 0.00 179.01 180.32 1ya4 h LEU 395 N 0.09 0.00 -0.78 3.06 3.38 -1.62 -3.34 115.31 116.10 1ya4 h LEU 395 Ca -0.29 0.00 0.14 0.00 0.09 0.00 0.00 57.88 57.82 1ya4 h LEU 395 Cb 2.11 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 42.72 1ya4 h LEU 395 CO 0.22 0.05 -0.30 0.40 0.09 0.00 0.00 178.44 178.89 1ya4 h ILE 396 N 0.00 0.13 -0.70 1.22 1.08 -1.50 0.10 117.51 117.84 1ya4 h ILE 396 Ca -0.00 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.55 1ya4 h ILE 396 Cb 0.96 0.13 -0.07 0.00 -3.07 0.00 0.00 36.82 34.77 1ya4 h ILE 396 CO 0.01 0.00 0.37 -0.65 -0.69 0.00 0.00 178.15 177.19 1ya4 h PRO 397 N -0.06 0.63 0.00 2.37 0.11 -1.79 0.97 132.00 134.22 1ya4 h PRO 397 Ca 0.32 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.33 1ya4 h PRO 397 Cb 0.58 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.54 1ya4 h PRO 397 CO -0.82 0.42 -0.28 1.49 -0.21 0.00 0.00 178.00 178.60 1ya4 h GLU 398 N 0.65 0.00 0.12 1.05 4.81 -1.07 -2.86 114.58 117.28 1ya4 h GLU 398 Ca 0.34 0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 59.28 1ya4 h GLU 398 Cb 0.30 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.68 1ya4 h GLU 398 CO -0.24 0.28 -1.48 0.00 -0.73 0.00 0.00 179.01 176.84 1ya4 h ALA 399 N 1.72 0.20 -0.24 2.92 0.00 -0.49 -3.16 119.26 120.22 1ya4 h ALA 399 Ca -0.00 -1.12 0.07 0.00 0.00 0.00 0.00 54.91 53.85 1ya4 h ALA 399 Cb 0.63 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1ya4 h ALA 399 CO 0.04 0.88 0.30 1.15 0.00 0.00 0.00 179.25 181.61 1ya4 h THR 400 N -0.27 0.38 0.00 0.00 2.02 -0.81 -2.64 112.91 111.59 1ya4 h THR 400 Ca -0.32 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 66.82 1ya4 h THR 400 Cb 1.79 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 68.95 1ya4 h THR 400 CO 0.06 0.00 -0.32 -0.08 0.37 0.00 0.00 175.52 175.55 1ya4 h GLU 401 N 0.00 0.00 0.00 6.66 4.57 -1.61 -2.04 114.58 122.16 1ya4 h GLU 401 Ca 0.11 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.29 1ya4 h GLU 401 Cb 0.71 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.30 1ya4 h GLU 401 CO -0.00 0.48 0.54 -0.22 -1.18 0.00 0.00 179.01 178.63 1ya4 h LYS 402 N -1.00 0.00 0.00 1.92 1.63 -1.43 0.76 116.57 118.45 1ya4 h LYS 402 Ca -0.06 0.00 -0.19 0.00 -0.85 0.00 0.00 60.65 59.54 1ya4 h LYS 402 Cb 0.63 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.23 1ya4 h LYS 402 CO -0.04 0.00 -1.66 0.66 -3.45 0.00 0.00 179.45 174.96 1ya4 n TYR 403 N -2.47 0.00 1.15 1.91 4.02 -1.15 -4.73 117.16 115.89 1ya4 n TYR 403 Ca -0.01 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 58.00 1ya4 n TYR 403 Cb 0.56 -0.43 0.26 0.00 -0.02 0.00 0.00 39.34 39.71 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 -3.37 1.15 0.08 7.72 4.77 -0.77 -4.36 117.00 122.23 1ya4 n LEU 404 Ca -0.23 -0.34 0.06 0.00 -0.03 0.00 0.00 56.01 55.47 1ya4 n LEU 404 Cb 0.68 -0.11 0.30 0.00 -2.33 0.00 0.00 43.42 41.96 1ya4 n LEU 404 CO 0.04 0.22 0.67 0.61 -1.33 0.00 0.00 177.39 177.60 1ya4 n GLY 405 N 1.39 -0.69 0.00 -0.72 0.00 0.26 -4.57 105.19 100.85 1ya4 n GLY 405 Ca 0.10 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 -1.37 0.90 2.17 -0.02 0.00 -1.26 -4.93 105.19 100.67 1ya4 n GLY 406 Ca -0.01 -0.65 -0.30 0.00 0.00 0.00 0.00 46.02 45.06 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 1.16 1.09 2.61 -2.24 -1.26 -4.80 114.28 110.84 1ya4 n THR 407 Ca 0.00 -0.32 0.14 0.00 -2.27 0.00 0.00 64.05 61.60 1ya4 n THR 407 Cb 0.00 0.00 0.53 0.00 -2.10 0.00 0.00 70.33 68.76 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 1.31 0.19 -4.62 3.42 8.00 -1.26 -4.79 116.55 118.81 1ya4 n ASP 408 Ca 0.11 0.12 -0.45 0.00 0.71 0.00 0.00 54.79 55.27 1ya4 n ASP 408 Cb 0.17 -0.23 -0.04 0.00 -0.02 0.00 0.00 41.12 41.00 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 -1.41 3.39 0.11 -2.24 -0.08 -1.26 -4.87 116.55 110.19 1ya4 n ASP 409 Ca 0.08 0.63 -0.13 0.00 -1.51 0.00 0.00 54.79 53.87 1ya4 n ASP 409 Cb 0.32 -1.45 -0.06 0.00 2.34 0.00 0.00 41.12 42.27 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 6.27 0.68 -0.24 5.18 1.35 -1.88 -1.56 112.91 122.72 1ya4 h THR 410 Ca -0.44 0.00 0.07 0.00 -0.55 0.00 0.00 66.41 65.49 1ya4 h THR 410 Cb 1.26 0.68 -0.01 0.00 -1.73 0.00 0.00 68.15 68.35 1ya4 h THR 410 CO 0.96 0.00 0.25 0.58 -0.25 0.00 0.00 175.52 177.06 1ya4 h VAL 411 N -0.30 0.46 0.05 6.82 2.07 -1.82 0.46 116.25 123.99 1ya4 h VAL 411 Ca 0.01 0.00 -0.23 0.00 0.82 0.00 0.00 66.70 67.30 1ya4 h VAL 411 Cb 0.30 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1ya4 h VAL 411 CO -0.05 0.00 -1.04 0.11 0.02 0.00 0.00 177.57 176.61 1ya4 h LYS 412 N 0.00 0.18 -0.19 1.57 1.57 -1.69 -2.94 116.57 115.06 1ya4 h LYS 412 Ca 0.11 -0.25 -0.18 0.00 -1.87 0.00 0.00 60.65 58.46 1ya4 h LYS 412 Cb 0.62 0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.01 1ya4 h LYS 412 CO -0.00 1.07 -0.60 0.87 -0.57 0.00 0.00 179.45 180.21 1ya4 h LYS 413 N 0.07 0.65 -0.00 3.15 1.57 0.49 0.34 116.57 122.84 1ya4 h LYS 413 Ca -0.07 -0.44 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 1ya4 h LYS 413 Cb 1.75 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 34.12 1ya4 h LYS 413 CO 0.16 1.06 0.00 -0.22 -0.57 0.00 0.00 179.45 179.88 1ya4 h LYS 414 N 0.49 0.00 0.02 3.15 3.64 -0.25 0.67 116.57 124.29 1ya4 h LYS 414 Ca -0.00 0.00 -0.39 0.00 -1.27 0.00 0.00 60.65 58.98 1ya4 h LYS 414 Cb 1.18 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.94 1ya4 h LYS 414 CO 0.12 0.00 -2.33 -0.25 -2.27 0.00 0.00 179.45 174.72 1ya4 n ASP 415 N -3.72 1.99 0.12 4.20 8.00 -1.00 -3.71 116.55 122.43 1ya4 n ASP 415 Ca -0.03 0.06 0.10 0.00 0.71 0.00 0.00 54.79 55.63 1ya4 n ASP 415 Cb 0.08 -0.62 0.59 0.00 -0.02 0.00 0.00 41.12 41.15 1ya4 n ASP 415 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1ya4 h LEU 416 N -0.27 0.15 -0.08 0.64 3.38 0.17 -0.21 115.31 119.08 1ya4 h LEU 416 Ca -0.56 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.40 1ya4 h LEU 416 Cb 1.83 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 42.54 1ya4 h LEU 416 CO -0.14 0.10 0.03 0.15 0.09 0.00 0.00 178.44 178.68 1ya4 h PHE 417 N 0.17 0.12 -0.28 1.13 3.57 0.18 -0.93 116.94 120.90 1ya4 h PHE 417 Ca 0.11 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 1ya4 h PHE 417 Cb 0.23 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 1ya4 h PHE 417 CO -0.00 0.23 0.12 -0.07 -2.23 0.00 0.00 178.31 176.36 1ya4 h LEU 418 N -0.02 0.34 -0.62 0.59 3.38 -1.17 -0.67 115.31 117.14 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 0.16 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1ya4 h LEU 418 CO -0.00 0.30 -0.52 0.44 0.09 0.00 0.00 178.44 178.75 1ya4 h ASP 419 N 0.39 0.49 -0.38 -0.43 3.32 -0.88 -2.03 116.42 116.90 1ya4 h ASP 419 Ca 0.10 -0.25 0.06 0.00 0.02 0.00 0.00 57.03 56.96 1ya4 h ASP 419 Cb 0.06 -0.14 -0.06 0.00 0.22 0.00 0.00 39.33 39.42 1ya4 h ASP 419 CO -0.01 0.92 0.03 0.25 -1.72 0.00 0.00 179.24 178.71 1ya4 h LEU 420 N 0.34 -0.09 -0.04 1.55 7.12 0.28 -1.10 115.31 123.38 1ya4 h LEU 420 Ca 0.01 0.08 -0.02 0.00 0.13 0.00 0.00 57.88 58.08 1ya4 h LEU 420 Cb 1.03 0.13 -0.00 0.00 -0.53 0.00 0.00 40.66 41.29 1ya4 h LEU 420 CO 0.09 -0.01 -0.04 0.40 -0.13 0.00 0.00 178.44 178.75 1ya4 h ILE 421 N 0.14 1.38 -0.89 4.05 2.04 -1.39 -3.01 117.51 119.82 1ya4 h ILE 421 Ca 0.18 -1.20 0.26 0.00 1.00 0.00 0.00 64.86 65.10 1ya4 h ILE 421 Cb 0.24 2.10 -0.04 0.00 -0.74 0.00 0.00 36.82 38.38 1ya4 h ILE 421 CO -0.28 0.32 0.66 0.00 0.00 0.00 0.00 178.15 178.85 1ya4 h ALA 422 N 0.54 2.83 0.22 1.87 0.00 -1.06 -0.69 119.26 122.97 1ya4 h ALA 422 Ca 0.01 -0.03 -0.30 0.00 0.00 0.00 0.00 54.91 54.59 1ya4 h ALA 422 Cb 0.55 0.07 0.03 0.00 0.00 0.00 0.00 17.79 18.43 1ya4 h ALA 422 CO 0.01 -1.12 -1.33 -0.44 0.00 0.00 0.00 179.25 176.38 1ya4 h ASP 423 N 0.00 0.71 0.15 0.00 3.32 -1.12 -1.33 116.42 118.15 1ya4 h ASP 423 Ca 0.42 -0.93 -0.18 0.00 0.02 0.00 0.00 57.03 56.37 1ya4 h ASP 423 Cb 1.74 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 41.05 1ya4 h ASP 423 CO -0.00 1.63 -0.67 0.58 -1.72 0.00 0.00 179.24 179.06 1ya4 h VAL 424 N -0.02 1.35 0.02 -1.35 2.07 -1.19 0.39 116.25 117.52 1ya4 h VAL 424 Ca -0.24 -2.01 -0.11 0.00 0.82 0.00 0.00 66.70 65.17 1ya4 h VAL 424 Cb 2.01 1.99 0.01 0.00 -1.52 0.00 0.00 31.29 33.78 1ya4 h VAL 424 CO 0.23 0.61 -0.44 0.24 0.02 0.00 0.00 177.57 178.23 1ya4 h MET 425 N 0.34 0.26 0.00 1.57 2.86 -1.30 -3.41 114.93 115.26 1ya4 h MET 425 Ca -0.02 -0.31 0.00 0.00 -2.06 0.00 0.00 59.70 57.31 1ya4 h MET 425 Cb 1.24 0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.99 1ya4 h MET 425 CO 0.12 1.04 -0.61 1.19 1.06 0.00 0.00 176.91 179.71 1ya4 n PHE 426 N -4.35 -0.05 0.00 -0.22 3.01 -1.02 -4.42 117.46 110.41 1ya4 n PHE 426 Ca -0.11 0.01 0.00 0.00 1.01 0.00 0.00 57.45 58.36 1ya4 n PHE 426 Cb 0.61 0.03 0.00 0.00 -0.01 0.00 0.00 39.48 40.11 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 3.10 -3.02 0.21 1.37 0.00 -0.53 -0.70 105.19 105.61 1ya4 n GLY 427 Ca 0.00 0.62 -0.15 0.00 0.00 0.00 0.00 46.02 46.49 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 0.67 -0.70 1.61 2.07 -0.50 -2.81 116.25 116.59 1ya4 h VAL 428 Ca 0.00 -0.03 0.13 0.00 0.82 0.00 0.00 66.70 67.62 1ya4 h VAL 428 Cb 0.00 0.69 -0.13 0.00 -1.52 0.00 0.00 31.29 30.33 1ya4 h VAL 428 CO 0.00 0.01 -0.26 -0.65 0.02 0.00 0.00 177.57 176.69 1ya4 h PRO 429 N -0.47 -0.06 -0.04 1.57 0.11 -1.72 0.30 132.00 131.69 1ya4 h PRO 429 Ca -0.05 0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.10 1ya4 h PRO 429 Cb 0.36 0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.45 1ya4 h PRO 429 CO 0.08 -0.04 -0.14 0.77 -0.21 0.00 0.00 178.00 178.45 1ya4 h SER 430 N -0.07 -0.42 -0.71 -2.05 0.02 -0.89 -0.41 113.55 109.01 1ya4 h SER 430 Ca 0.31 0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.32 1ya4 h SER 430 Cb 0.55 0.19 -0.03 0.00 0.14 0.00 0.00 62.40 63.25 1ya4 h SER 430 CO -0.75 -0.19 0.41 0.58 -1.14 0.00 0.00 176.83 175.73 1ya4 h VAL 431 N -0.22 1.21 -0.77 2.27 2.07 -0.89 0.17 116.25 120.10 1ya4 h VAL 431 Ca 0.06 -0.51 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 1ya4 h VAL 431 Cb 0.30 0.25 -0.04 0.00 -1.52 0.00 0.00 31.29 30.29 1ya4 h VAL 431 CO -0.17 0.23 0.46 0.40 0.02 0.00 0.00 177.57 178.50 1ya4 h ILE 432 N 0.98 1.22 -0.66 4.57 2.04 -0.04 -0.88 117.51 124.73 1ya4 h ILE 432 Ca 0.25 -0.50 -0.08 0.00 1.00 0.00 0.00 64.86 65.54 1ya4 h ILE 432 Cb 0.01 0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 36.22 1ya4 h ILE 432 CO -0.04 0.23 0.11 0.58 0.00 0.00 0.00 178.15 179.03 1ya4 h VAL 433 N 1.05 1.26 -0.14 1.67 2.07 -0.61 -2.16 116.25 119.40 1ya4 h VAL 433 Ca 0.27 -1.02 -0.00 0.00 0.82 0.00 0.00 66.70 66.77 1ya4 h VAL 433 Cb -0.02 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 1ya4 h VAL 433 CO -0.05 0.38 0.08 0.00 0.02 0.00 0.00 177.57 178.01 1ya4 h ALA 434 N 1.09 0.17 0.15 1.67 0.00 -0.49 -2.18 119.26 119.69 1ya4 h ALA 434 Ca 0.20 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1ya4 h ALA 434 Cb 0.43 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1ya4 h ALA 434 CO 0.01 -0.32 -0.11 0.00 0.00 0.00 0.00 179.25 178.83 1ya4 h ARG 435 N 0.15 -0.26 -0.67 0.00 3.08 -0.97 -0.75 114.38 114.96 1ya4 h ARG 435 Ca 0.05 0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.16 1ya4 h ARG 435 Cb 0.03 0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.10 1ya4 h ARG 435 CO -0.01 -0.17 0.44 -0.91 -1.07 0.00 0.00 179.97 178.25 1ya4 h ASN 436 N -0.27 0.67 -0.41 7.04 4.21 -1.35 0.25 115.58 125.71 1ya4 h ASN 436 Ca -0.01 -0.01 -0.09 0.00 1.21 0.00 0.00 56.30 57.41 1ya4 h ASN 436 Cb 0.24 -0.15 -0.01 0.00 -1.12 0.00 0.00 38.32 37.27 1ya4 h ASN 436 CO -0.00 0.45 -0.09 -0.74 -1.29 0.00 0.00 177.43 175.76 1ya4 h HIS 437 N 0.77 0.88 -0.38 1.19 2.76 -1.10 -1.58 115.15 117.70 1ya4 h HIS 437 Ca 0.27 -0.19 0.01 0.00 -2.20 0.00 0.00 60.37 58.26 1ya4 h HIS 437 Cb 0.12 -0.22 -0.02 0.00 1.55 0.00 0.00 27.41 28.85 1ya4 h HIS 437 CO -0.00 0.90 0.25 -0.09 -1.30 0.00 0.00 177.93 177.69 1ya4 h ARG 438 N 0.60 0.49 0.00 5.26 2.43 0.29 -0.40 114.38 123.06 1ya4 h ARG 438 Ca 0.10 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1ya4 h ARG 438 Cb 0.61 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 1ya4 h ARG 438 CO 0.04 0.32 0.00 -0.25 -1.51 0.00 0.00 179.97 178.57 1ya4 n ASP 439 N -4.83 0.00 0.05 -3.80 8.00 0.74 -1.30 116.55 115.41 1ya4 n ASP 439 Ca 0.00 -0.54 0.12 0.00 0.71 0.00 0.00 54.79 55.08 1ya4 n ASP 439 Cb 0.03 -0.07 0.21 0.00 -0.02 0.00 0.00 41.12 41.27 1ya4 n ASP 439 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ya4 n ALA 440 N -1.07 2.96 -0.16 2.24 0.00 -0.17 -4.92 120.51 119.38 1ya4 n ALA 440 Ca 0.15 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1ya4 n ALA 440 Cb 0.10 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.36 1ya4 n ALA 440 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ya4 n GLY 441 N 1.36 0.90 3.68 0.00 0.00 -0.42 -4.98 105.19 105.73 1ya4 n GLY 441 Ca 0.04 -0.15 -0.29 0.00 0.00 0.00 0.00 46.02 45.62 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 3.25 -0.02 4.61 0.00 -1.14 -5.06 121.76 121.40 1ya4 s ALA 442 Ca 0.00 -1.20 -0.33 0.00 0.00 0.00 0.00 51.96 50.43 1ya4 s ALA 442 Cb 0.00 -1.12 -0.11 0.00 0.00 0.00 0.00 23.12 21.89 1ya4 s ALA 442 CO 0.00 0.63 1.88 -2.30 0.00 0.00 0.00 175.76 175.97 1ya4 n PRO 443 N 0.35 2.40 -4.36 0.00 -0.02 -1.26 -4.36 135.00 127.75 1ya4 n PRO 443 Ca -0.11 0.88 -0.19 0.00 -2.02 0.00 0.00 63.50 62.07 1ya4 n PRO 443 Cb 0.53 -2.75 -0.14 0.00 -0.02 0.00 0.00 33.50 31.12 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 3.86 0.86 0.02 3.45 2.01 -1.26 -1.67 115.64 122.91 1ya4 s THR 444 Ca 0.90 -0.67 0.01 0.00 0.31 0.00 0.00 61.69 62.25 1ya4 s THR 444 Cb -0.61 -0.76 -0.02 0.00 0.01 0.00 0.00 72.50 71.12 1ya4 s THR 444 CO 0.47 0.09 -0.06 -0.31 -0.69 0.00 0.00 174.62 174.13 1ya4 s TYR 445 N -0.54 0.49 0.12 4.92 2.02 -1.05 0.11 117.35 123.43 1ya4 s TYR 445 Ca 0.02 -0.37 0.05 0.00 -0.37 0.00 0.00 57.07 56.40 1ya4 s TYR 445 Cb -0.06 -0.30 -0.04 0.00 -0.40 0.00 0.00 41.96 41.16 1ya4 s TYR 445 CO 0.00 -0.08 -0.11 -1.64 -1.57 0.00 0.00 175.55 172.15 1ya4 s MET 446 N -1.09 0.98 0.07 -0.62 -1.94 -1.26 -0.97 119.30 114.48 1ya4 s MET 446 Ca -0.08 -1.30 -0.14 0.00 -1.71 0.00 0.00 55.69 52.47 1ya4 s MET 446 Cb -0.07 -0.66 0.02 0.00 2.01 0.00 0.00 34.83 36.12 1ya4 s MET 446 CO -0.00 0.10 0.31 1.52 -0.01 0.00 0.00 175.02 176.94 1ya4 s TYR 447 N -2.73 -0.09 -0.21 -0.03 1.13 -1.18 -1.72 117.35 112.52 1ya4 s TYR 447 Ca 0.11 -0.15 -0.03 0.00 -1.41 0.00 0.00 57.07 55.59 1ya4 s TYR 447 Cb -0.01 0.11 0.07 0.00 -1.10 0.00 0.00 41.96 41.03 1ya4 s TYR 447 CO 0.01 -0.57 0.05 -2.00 -2.51 0.00 0.00 175.55 170.53 1ya4 s GLU 448 N -3.16 0.61 -0.20 -3.49 2.12 0.06 -1.97 118.70 112.67 1ya4 s GLU 448 Ca -0.01 -0.48 -0.27 0.00 0.36 0.00 0.00 54.97 54.57 1ya4 s GLU 448 Cb 0.01 -2.04 -0.00 0.00 0.26 0.00 0.00 34.13 32.36 1ya4 s GLU 448 CO -0.07 -0.70 0.95 0.12 -0.54 0.00 0.00 175.26 175.02 1ya4 s PHE 449 N 1.86 3.38 -0.43 5.30 5.36 -0.34 -1.76 117.98 131.34 1ya4 s PHE 449 Ca 0.01 1.38 0.02 0.00 -0.96 0.00 0.00 56.93 57.38 1ya4 s PHE 449 Cb -0.17 -3.16 0.14 0.00 -0.34 0.00 0.00 43.02 39.49 1ya4 s PHE 449 CO -0.11 -0.37 0.24 1.14 -1.46 0.00 0.00 175.22 174.66 1ya4 s GLN 450 N 2.70 1.23 -0.05 10.12 -2.07 -0.57 -0.26 119.66 130.77 1ya4 s GLN 450 Ca 0.42 -1.97 -0.31 0.00 -1.82 0.00 0.00 55.36 51.68 1ya4 s GLN 450 Cb -0.16 -2.25 0.07 0.00 -1.09 0.00 0.00 33.01 29.59 1ya4 s GLN 450 CO 0.10 -1.17 0.69 -0.47 -1.32 0.00 0.00 175.29 173.12 1ya4 s TYR 451 N 0.39 -0.64 -0.43 9.60 5.04 -1.26 -4.48 117.35 125.57 1ya4 s TYR 451 Ca 0.18 1.09 -0.04 0.00 -2.44 0.00 0.00 57.07 55.86 1ya4 s TYR 451 Cb -0.23 0.41 0.11 0.00 0.35 0.00 0.00 41.96 42.60 1ya4 s TYR 451 CO -0.00 -0.60 0.24 0.50 -1.34 0.00 0.00 175.55 174.34 1ya4 s ARG 452 N -1.23 2.09 0.48 4.97 3.52 -1.26 -2.39 118.95 125.13 1ya4 s ARG 452 Ca -0.10 -1.84 -0.23 0.00 -0.13 0.00 0.00 55.73 53.42 1ya4 s ARG 452 Cb -0.00 -3.64 -0.08 0.00 -1.56 0.00 0.00 34.95 29.67 1ya4 s ARG 452 CO 0.09 -1.10 1.27 -0.35 -0.81 0.00 0.00 175.30 174.41 1ya4 n PRO 453 N 4.60 1.76 0.00 5.12 -0.04 -1.26 -4.83 135.00 140.34 1ya4 n PRO 453 Ca -0.03 0.63 0.10 0.00 -0.04 0.00 0.00 63.50 64.17 1ya4 n PRO 453 Cb 0.41 -2.43 0.59 0.00 -0.04 0.00 0.00 33.50 32.03 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 -0.30 0.00 -1.11 3.54 3.41 -1.26 -1.88 113.62 116.02 1ya4 n SER 454 Ca 0.08 -0.51 0.12 0.00 -0.26 0.00 0.00 58.87 58.31 1ya4 n SER 454 Cb 0.42 -0.06 0.23 0.00 -0.26 0.00 0.00 64.21 64.54 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 -1.06 0.48 -0.57 7.33 3.01 -1.26 -4.96 117.46 120.42 1ya4 n PHE 455 Ca 0.14 -0.24 -0.30 0.00 1.01 0.00 0.00 57.45 58.07 1ya4 n PHE 455 Cb 0.09 0.00 0.22 0.00 -0.01 0.00 0.00 39.48 39.77 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 1.40 -1.26 -4.83 4.37 7.64 -0.79 -4.97 113.62 115.18 1ya4 n SER 456 Ca 0.19 0.03 -0.31 0.00 1.01 0.00 0.00 58.87 59.80 1ya4 n SER 456 Cb 0.59 -1.28 0.05 0.00 -1.01 0.00 0.00 64.21 62.55 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 -2.38 5.34 0.00 6.43 0.15 -1.26 -4.97 113.70 117.01 1ya4 s SER 457 Ca 0.66 1.48 -0.25 0.00 0.70 0.00 0.00 55.95 58.54 1ya4 s SER 457 Cb -0.23 -2.35 -0.19 0.00 -1.71 0.00 0.00 66.02 61.55 1ya4 s SER 457 CO 0.64 -1.45 1.34 0.44 1.20 0.00 0.00 173.24 175.40 1ya4 h ASP 458 N -0.73 -0.07 0.00 5.45 3.32 -1.99 -2.77 116.42 119.63 1ya4 h ASP 458 Ca -0.45 -0.34 0.00 0.00 0.02 0.00 0.00 57.03 56.27 1ya4 h ASP 458 Cb 1.22 0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.79 1ya4 h ASP 458 CO 0.59 0.31 0.33 0.23 -1.72 0.00 0.00 179.24 178.97 1ya4 n MET 459 N -4.95 0.05 -2.68 3.56 2.81 -1.26 -4.45 117.12 110.20 1ya4 n MET 459 Ca -0.08 0.45 -0.43 0.00 -1.81 0.00 0.00 57.70 55.83 1ya4 n MET 459 Cb 0.21 -2.00 -0.02 0.00 -0.71 0.00 0.00 33.22 30.70 1ya4 n MET 459 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 1ya4 s LYS 460 N -3.01 4.21 0.36 0.03 2.20 -1.05 -5.01 119.74 117.47 1ya4 s LYS 460 Ca -0.01 1.25 -0.28 0.00 -0.36 0.00 0.00 55.97 56.57 1ya4 s LYS 460 Cb 0.02 -3.66 -0.12 0.00 -1.51 0.00 0.00 37.83 32.56 1ya4 s LYS 460 CO 0.07 -0.68 1.43 -0.35 -0.36 0.00 0.00 175.35 175.45 1ya4 n PRO 461 N 6.41 2.47 -0.10 4.03 -0.04 -1.26 -4.87 135.00 141.65 1ya4 n PRO 461 Ca 0.11 0.87 -0.02 0.00 -0.04 0.00 0.00 63.50 64.42 1ya4 n PRO 461 Cb 0.46 -2.55 0.02 0.00 -0.04 0.00 0.00 33.50 31.39 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 0.65 1.11 -0.00 0.54 5.02 -1.26 -2.64 118.16 121.58 1ya4 n LYS 462 Ca 0.03 -0.25 0.04 0.00 -2.02 0.00 0.00 58.31 56.11 1ya4 n LYS 462 Cb 0.37 -1.12 -0.06 0.00 -0.02 0.00 0.00 35.03 34.20 1ya4 n LYS 462 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1ya4 n THR 463 N 0.35 0.00 -2.61 -0.18 -1.04 -1.26 -4.95 114.28 104.60 1ya4 n THR 463 Ca 0.05 -0.20 -0.43 0.00 -2.04 0.00 0.00 64.05 61.43 1ya4 n THR 463 Cb 0.59 0.34 -0.02 0.00 -1.82 0.00 0.00 70.33 69.42 1ya4 n THR 463 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1ya4 s VAL 464 N -2.54 4.49 -0.27 12.58 1.01 -1.08 -4.98 120.40 129.60 1ya4 s VAL 464 Ca -0.03 1.74 -0.00 0.00 0.00 0.00 0.00 61.98 63.69 1ya4 s VAL 464 Cb 0.05 -4.34 0.08 0.00 0.00 0.00 0.00 36.38 32.17 1ya4 s VAL 464 CO 0.35 -0.40 0.04 -0.63 0.00 0.00 0.00 175.10 174.46 1ya4 s ILE 465 N 3.62 1.19 0.00 2.22 1.01 -1.26 -4.69 121.20 123.29 1ya4 s ILE 465 Ca 0.47 -1.33 0.00 0.00 0.00 0.00 0.00 60.65 59.79 1ya4 s ILE 465 Cb -0.14 -1.73 0.00 0.00 0.01 0.00 0.00 42.46 40.60 1ya4 s ILE 465 CO 0.14 -0.42 0.00 0.61 0.00 0.00 0.00 174.94 175.27 1ya4 n GLY 466 N 4.75 1.89 3.77 6.18 0.00 -1.01 -3.88 105.19 116.90 1ya4 n GLY 466 Ca -0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.00 5.68 -0.18 1.61 2.15 -1.23 -0.35 116.67 122.36 1ya4 s ASP 467 Ca 0.00 2.32 -0.41 0.00 0.43 0.00 0.00 52.55 54.89 1ya4 s ASP 467 Cb 0.00 -2.60 -0.18 0.00 -0.30 0.00 0.00 42.92 39.84 1ya4 s ASP 467 CO 0.00 -1.25 1.41 1.57 -0.17 0.00 0.00 175.17 176.73 1ya4 n HIS 468 N -1.10 1.42 -2.21 -5.34 -0.00 -1.16 -1.08 115.22 105.75 1ya4 n HIS 468 Ca 0.11 0.89 -0.07 0.00 -0.00 0.00 0.00 57.72 58.64 1ya4 n HIS 468 Cb 0.49 -2.25 -0.00 0.00 -0.00 0.00 0.00 29.99 28.23 1ya4 n HIS 468 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1ya4 n GLY 469 N 2.95 0.10 0.08 1.57 0.00 -1.26 -4.90 105.19 103.73 1ya4 n GLY 469 Ca 0.24 -0.55 -0.09 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.09 0.04 0.66 1.61 3.32 -1.44 -3.33 116.42 117.20 1ya4 h ASP 470 Ca -0.18 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 56.78 1ya4 h ASP 470 Cb 1.13 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.66 1ya4 h ASP 470 CO 0.21 1.06 -0.09 1.05 -1.72 0.00 0.00 179.24 179.75 1ya4 h GLU 471 N 0.01 0.00 -0.97 3.56 9.09 -1.91 -3.16 114.58 121.19 1ya4 h GLU 471 Ca -0.20 0.00 0.19 0.00 0.05 0.00 0.00 59.36 59.40 1ya4 h GLU 471 Cb 1.94 0.00 -0.11 0.00 -1.65 0.00 0.00 28.75 28.93 1ya4 h GLU 471 CO 0.10 0.09 0.57 -0.07 0.05 0.00 0.00 179.01 179.75 1ya4 h LEU 472 N 0.00 0.72 -1.22 3.06 3.38 -1.97 0.17 115.31 119.44 1ya4 h LEU 472 Ca -0.00 0.10 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 1ya4 h LEU 472 Cb 0.45 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1ya4 h LEU 472 CO 0.01 0.24 -0.12 -0.26 0.09 0.00 0.00 178.44 178.40 1ya4 h PHE 473 N 0.71 0.41 0.09 1.13 -1.00 -1.80 -0.42 116.94 116.06 1ya4 h PHE 473 Ca 0.56 -0.06 -0.00 0.00 2.81 0.00 0.00 57.97 61.28 1ya4 h PHE 473 Cb 0.88 -0.11 0.00 0.00 3.61 0.00 0.00 35.95 40.33 1ya4 h PHE 473 CO -0.03 0.51 -0.04 0.77 -1.61 0.00 0.00 178.31 177.91 1ya4 h SER 474 N 0.37 -0.10 -0.89 2.17 0.02 -1.21 0.20 113.55 114.10 1ya4 h SER 474 Ca 0.07 -0.47 0.13 0.00 -0.84 0.00 0.00 61.79 60.68 1ya4 h SER 474 Cb 0.44 0.03 -0.07 0.00 0.14 0.00 0.00 62.40 62.94 1ya4 h SER 474 CO 0.03 0.56 0.57 0.58 -1.14 0.00 0.00 176.83 177.43 1ya4 h VAL 475 N -0.90 0.87 -0.71 2.27 2.07 -0.63 -2.03 116.25 117.21 1ya4 h VAL 475 Ca -0.01 -0.26 -0.25 0.00 0.82 0.00 0.00 66.70 66.99 1ya4 h VAL 475 Cb 0.56 0.05 -0.15 0.00 -1.52 0.00 0.00 31.29 30.24 1ya4 h VAL 475 CO 0.02 0.14 0.28 0.49 0.02 0.00 0.00 177.57 178.52 1ya4 n PHE 476 N -4.56 2.30 -4.04 1.57 3.01 -0.18 -4.72 117.46 110.85 1ya4 n PHE 476 Ca 0.17 -1.35 -0.30 0.00 1.01 0.00 0.00 57.45 56.98 1ya4 n PHE 476 Cb 0.42 -0.69 -0.01 0.00 -0.01 0.00 0.00 39.48 39.19 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 -0.50 -0.34 0.38 1.37 0.00 -0.76 -4.51 105.19 100.83 1ya4 n GLY 477 Ca 0.42 0.15 0.16 0.00 0.00 0.00 0.00 46.02 46.75 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 0.89 2.13 -0.06 4.61 0.00 -0.82 -1.14 119.26 124.87 1ya4 h ALA 478 Ca -0.61 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.32 1ya4 h ALA 478 Cb 1.38 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 1ya4 h ALA 478 CO 0.69 -0.34 0.07 -1.35 0.00 0.00 0.00 179.25 178.31 1ya4 h PRO 479 N 0.41 0.00 -0.06 0.00 0.11 -1.88 0.18 132.00 130.75 1ya4 h PRO 479 Ca 0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.49 1ya4 h PRO 479 Cb 0.88 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.99 1ya4 h PRO 479 CO -0.12 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.86 1ya4 n PHE 480 N -3.81 0.05 0.00 0.65 3.01 -0.43 -4.33 117.46 112.60 1ya4 n PHE 480 Ca -0.01 -0.03 0.00 0.00 1.01 0.00 0.00 57.45 58.42 1ya4 n PHE 480 Cb 0.17 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.64 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 1.00 0.48 0.00 4.37 4.77 -0.84 -4.92 117.00 121.86 1ya4 n LEU 481 Ca 0.16 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 56.14 1ya4 n LEU 481 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1ya4 n LEU 481 CO 0.15 0.08 0.00 0.29 -1.33 0.00 0.00 177.39 176.59 1ya4 n LYS 482 N -1.96 0.62 -4.37 3.23 5.02 0.57 -3.77 118.16 117.50 1ya4 n LYS 482 Ca 0.00 -0.01 -0.24 0.00 -2.02 0.00 0.00 58.31 56.03 1ya4 n LYS 482 Cb 0.45 -0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 35.35 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 -2.39 1.38 -0.22 1.97 2.56 -1.26 -4.82 118.70 115.91 1ya4 s GLU 483 Ca 0.00 -1.45 0.00 0.00 0.00 0.00 0.00 54.97 53.52 1ya4 s GLU 483 Cb -0.00 -1.57 0.00 0.00 2.00 0.00 0.00 34.13 34.56 1ya4 s GLU 483 CO 0.00 0.33 0.00 0.41 -0.56 0.00 0.00 175.26 175.44 1ya4 n GLY 484 N 0.32 0.40 3.70 -1.50 0.00 -1.26 -5.02 105.19 101.84 1ya4 n GLY 484 Ca -0.13 -0.88 -0.42 0.00 0.00 0.00 0.00 46.02 44.59 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 -2.10 3.28 0.68 4.61 0.00 -1.26 -5.00 121.76 121.96 1ya4 s ALA 485 Ca 0.00 0.54 -0.15 0.00 0.00 0.00 0.00 51.96 52.34 1ya4 s ALA 485 Cb 0.00 -3.39 0.01 0.00 0.00 0.00 0.00 23.12 19.74 1ya4 s ALA 485 CO 0.00 -0.39 1.15 -1.54 0.00 0.00 0.00 175.76 174.97 1ya4 s SER 486 N 1.07 4.83 0.59 0.00 1.04 -1.26 -4.79 113.70 115.18 1ya4 s SER 486 Ca 0.52 2.14 0.39 0.00 0.48 0.00 0.00 55.95 59.48 1ya4 s SER 486 Cb -0.22 -2.57 2.05 0.00 0.10 0.00 0.00 66.02 65.39 1ya4 s SER 486 CO 0.25 -1.82 2.20 -0.08 0.98 0.00 0.00 173.24 174.76 1ya4 h GLU 487 N 0.00 0.00 0.04 4.02 4.57 -1.99 -0.59 114.58 120.62 1ya4 h GLU 487 Ca -0.47 0.00 -0.23 0.00 -1.18 0.00 0.00 59.36 57.47 1ya4 h GLU 487 Cb 1.26 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.86 1ya4 h GLU 487 CO 0.53 0.00 -1.02 1.49 -1.18 0.00 0.00 179.01 178.83 1ya4 h GLU 488 N 0.00 0.34 -0.02 1.92 4.81 -2.00 -2.99 114.58 116.64 1ya4 h GLU 488 Ca 0.00 -0.42 -0.14 0.00 -0.13 0.00 0.00 59.36 58.68 1ya4 h GLU 488 Cb 0.09 0.13 0.01 0.00 0.63 0.00 0.00 28.75 29.61 1ya4 h GLU 488 CO 0.00 1.12 -0.52 1.49 -0.73 0.00 0.00 179.01 180.36 1ya4 h GLU 489 N 0.17 0.39 -0.66 1.92 4.81 -1.50 -2.38 114.58 117.33 1ya4 h GLU 489 Ca -0.09 -0.39 0.13 0.00 -0.13 0.00 0.00 59.36 58.88 1ya4 h GLU 489 Cb 1.68 0.10 -0.10 0.00 0.63 0.00 0.00 28.75 31.06 1ya4 h GLU 489 CO 0.17 1.06 0.15 0.82 -0.73 0.00 0.00 179.01 180.48 1ya4 h ILE 490 N -0.12 0.59 -0.39 2.32 2.04 -1.36 0.38 117.51 120.97 1ya4 h ILE 490 Ca -0.06 -0.09 -0.11 0.00 1.00 0.00 0.00 64.86 65.60 1ya4 h ILE 490 Cb 1.22 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 1ya4 h ILE 490 CO 0.10 0.05 -0.21 0.03 0.00 0.00 0.00 178.15 178.13 1ya4 h ARG 491 N 0.27 0.76 -0.52 2.37 3.08 -1.53 -0.53 114.38 118.28 1ya4 h ARG 491 Ca 0.36 -0.29 -0.03 0.00 0.07 0.00 0.00 59.98 60.08 1ya4 h ARG 491 Cb 0.57 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.55 1ya4 h ARG 491 CO -0.45 0.90 0.20 1.25 -1.07 0.00 0.00 179.97 180.81 1ya4 h LEU 492 N 0.67 0.73 0.33 3.04 5.85 -0.46 -1.66 115.31 123.80 1ya4 h LEU 492 Ca 0.10 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.63 1ya4 h LEU 492 Cb 0.70 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.55 1ya4 h LEU 492 CO 0.05 0.70 -0.16 -1.28 -0.34 0.00 0.00 178.44 177.42 1ya4 h SER 493 N 0.71 -0.37 -0.93 1.25 0.87 -0.81 -1.54 113.55 112.72 1ya4 h SER 493 Ca 0.17 -0.05 0.24 0.00 -1.23 0.00 0.00 61.79 60.92 1ya4 h SER 493 Cb 0.21 0.10 -0.13 0.00 -0.44 0.00 0.00 62.40 62.13 1ya4 h SER 493 CO -0.01 -0.18 0.45 0.11 -0.53 0.00 0.00 176.83 176.66 1ya4 h LYS 494 N -0.54 0.40 0.20 2.24 1.57 -0.97 -2.10 116.57 117.36 1ya4 h LYS 494 Ca -0.04 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1ya4 h LYS 494 Cb 0.40 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1ya4 h LYS 494 CO 0.07 0.26 -0.10 1.98 -0.57 0.00 0.00 179.45 181.10 1ya4 h MET 495 N 0.41 -0.26 -0.30 3.15 4.05 -0.94 -2.56 114.93 118.48 1ya4 h MET 495 Ca 0.60 0.02 0.06 0.00 -0.28 0.00 0.00 59.70 60.10 1ya4 h MET 495 Cb 1.19 0.06 -0.06 0.00 -0.80 0.00 0.00 31.60 31.99 1ya4 h MET 495 CO -0.54 0.06 -0.08 0.28 0.23 0.00 0.00 176.91 176.86 1ya4 h VAL 496 N -0.62 0.70 0.09 -5.77 2.07 -0.71 -0.11 116.25 111.91 1ya4 h VAL 496 Ca -0.03 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.51 1ya4 h VAL 496 Cb 0.45 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 1ya4 h VAL 496 CO 0.05 0.00 -0.17 0.24 0.02 0.00 0.00 177.57 177.71 1ya4 h MET 497 N -0.00 -0.31 -0.51 1.57 2.07 -1.48 0.57 114.93 116.83 1ya4 h MET 497 Ca 0.14 0.02 0.09 0.00 -2.07 0.00 0.00 59.70 57.88 1ya4 h MET 497 Cb 0.22 0.07 -0.10 0.00 -1.87 0.00 0.00 31.60 29.92 1ya4 h MET 497 CO -0.31 -0.21 -0.38 0.87 1.07 0.00 0.00 176.91 177.96 1ya4 h LYS 498 N -0.32 -0.22 -0.10 1.72 1.79 -1.03 0.70 116.57 119.10 1ya4 h LYS 498 Ca 0.02 0.02 0.04 0.00 -2.18 0.00 0.00 60.65 58.55 1ya4 h LYS 498 Cb 0.34 0.05 -0.05 0.00 -1.58 0.00 0.00 32.23 30.99 1ya4 h LYS 498 CO -0.09 -0.15 -0.25 0.74 -1.08 0.00 0.00 179.45 178.62 1ya4 h PHE 499 N -0.23 -0.67 0.79 -1.35 0.05 -0.14 0.69 116.94 116.08 1ya4 h PHE 499 Ca 0.19 0.03 -0.03 0.00 3.82 0.00 0.00 57.97 61.97 1ya4 h PHE 499 Cb 0.56 0.31 -0.00 0.00 2.00 0.00 0.00 35.95 38.82 1ya4 h PHE 499 CO -0.63 -0.33 -0.47 -1.49 -0.18 0.00 0.00 178.31 175.21 1ya4 h TRP 500 N -0.34 -1.24 -0.76 -0.55 -0.00 0.15 -2.42 115.95 110.81 1ya4 h TRP 500 Ca 0.09 -0.02 0.17 0.00 -0.00 0.00 0.00 58.89 59.14 1ya4 h TRP 500 Cb 0.47 0.44 -0.12 0.00 -0.00 0.00 0.00 29.16 29.94 1ya4 h TRP 500 CO -0.33 -0.71 0.12 0.00 -0.00 0.00 0.00 178.44 177.52 1ya4 h ALA 501 N -1.07 0.93 -0.89 1.49 0.00 0.56 0.18 119.26 120.46 1ya4 h ALA 501 Ca -0.11 0.20 0.06 0.00 0.00 0.00 0.00 54.91 55.06 1ya4 h ALA 501 Cb 0.94 0.31 -0.06 0.00 0.00 0.00 0.00 17.79 18.98 1ya4 h ALA 501 CO 0.12 -0.39 0.58 -0.91 0.00 0.00 0.00 179.25 178.66 1ya4 h ASN 502 N 0.20 0.91 -0.24 0.00 2.35 -0.71 0.11 115.58 118.19 1ya4 h ASN 502 Ca 0.43 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 56.16 1ya4 h ASN 502 Cb 0.76 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.93 1ya4 h ASN 502 CO -0.58 0.60 0.06 0.15 -1.65 0.00 0.00 177.43 176.01 1ya4 h PHE 503 N 1.04 0.41 -0.20 1.19 3.57 -0.19 0.30 116.94 123.05 1ya4 h PHE 503 Ca 0.38 -0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.84 1ya4 h PHE 503 Cb 0.15 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 1ya4 h PHE 503 CO -0.00 0.48 0.14 0.00 -2.23 0.00 0.00 178.31 176.69 1ya4 h ALA 504 N 0.88 1.91 0.05 2.41 0.00 -0.14 0.73 119.26 125.10 1ya4 h ALA 504 Ca 0.08 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 1ya4 h ALA 504 Cb 0.27 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.01 1ya4 h ALA 504 CO 0.00 0.07 -0.33 0.00 0.00 0.00 0.00 179.25 178.99 1ya4 h ARG 505 N 0.23 0.13 0.00 0.00 3.08 -0.06 -3.42 114.38 114.34 1ya4 h ARG 505 Ca 0.08 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 59.92 1ya4 h ARG 505 Cb 0.04 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.17 1ya4 h ARG 505 CO -0.02 1.08 0.00 0.09 -1.07 0.00 0.00 179.97 180.05 1ya4 n ASN 506 N -4.42 0.52 -0.26 7.04 3.02 0.97 -4.99 115.26 117.14 1ya4 n ASN 506 Ca -0.11 -0.77 -0.03 0.00 -0.03 0.00 0.00 54.58 53.64 1ya4 n ASN 506 Cb 0.61 0.38 -0.01 0.00 -0.61 0.00 0.00 39.78 40.15 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 0.38 0.39 3.37 7.41 0.00 0.25 -5.01 105.19 111.98 1ya4 n GLY 507 Ca 0.00 -0.85 -0.05 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.92 -0.58 0.47 1.61 3.84 -1.25 -4.90 114.94 111.21 1ya4 s ASN 508 Ca 0.00 1.15 0.21 0.00 0.21 0.00 0.00 52.86 54.43 1ya4 s ASN 508 Cb 0.00 1.70 1.18 0.00 -0.55 0.00 0.00 41.25 43.58 1ya4 s ASN 508 CO 0.00 -0.23 2.00 1.55 -2.79 0.00 0.00 177.10 177.62 1ya4 h PRO 509 N 8.11 0.00 -6.95 0.43 0.13 -1.82 -3.19 132.00 128.71 1ya4 h PRO 509 Ca -0.17 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.42 1ya4 h PRO 509 Cb 1.11 0.00 0.20 0.00 0.13 0.00 0.00 31.00 32.44 1ya4 h PRO 509 CO 0.13 0.19 -0.16 0.09 -0.23 0.00 0.00 178.00 178.02 1ya4 n ASN 510 N -3.90 -0.64 0.00 1.44 3.02 -1.26 -4.53 115.26 109.39 1ya4 n ASN 510 Ca -0.02 0.47 0.00 0.00 -0.03 0.00 0.00 54.58 55.01 1ya4 n ASN 510 Cb 0.28 -1.34 0.00 0.00 -0.61 0.00 0.00 39.78 38.11 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 1.08 0.96 3.77 7.41 0.00 -1.26 -4.92 105.19 112.24 1ya4 n GLY 511 Ca 0.10 -0.80 -0.35 0.00 0.00 0.00 0.00 46.02 44.97 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 3.45 0.00 1.61 -1.05 -1.26 -2.94 118.70 116.51 1ya4 s GLU 512 Ca 0.00 1.62 0.00 0.00 -0.15 0.00 0.00 54.97 56.44 1ya4 s GLU 512 Cb 0.00 -2.08 0.00 0.00 -0.44 0.00 0.00 34.13 31.61 1ya4 s GLU 512 CO 0.00 -0.77 0.00 0.41 0.95 0.00 0.00 175.26 175.85 1ya4 n GLY 513 N 0.19 0.73 3.15 -3.83 0.00 -1.26 -5.04 105.19 99.12 1ya4 n GLY 513 Ca 0.11 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.94 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 2.21 1.28 0.99 1.43 -1.15 -5.09 118.68 118.35 1ya4 s LEU 514 Ca 0.00 -0.51 -0.19 0.00 -1.03 0.00 0.00 54.13 52.40 1ya4 s LEU 514 Cb 0.00 -0.54 0.29 0.00 0.03 0.00 0.00 46.19 45.97 1ya4 s LEU 514 CO 0.00 -0.02 0.69 -2.65 0.23 0.00 0.00 176.35 174.60 1ya4 n PRO 515 N 1.67 -3.56 -3.51 1.29 -0.02 -1.26 -4.78 135.00 124.84 1ya4 n PRO 515 Ca -0.19 -1.05 -0.37 0.00 -2.02 0.00 0.00 63.50 59.87 1ya4 n PRO 515 Cb 0.55 -1.83 -0.06 0.00 -0.02 0.00 0.00 33.50 32.13 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 -2.16 3.58 -0.36 6.00 2.46 -1.26 -4.79 115.29 118.76 1ya4 s HIS 516 Ca 0.59 0.79 -0.04 0.00 0.47 0.00 0.00 55.06 56.87 1ya4 s HIS 516 Cb -0.13 -2.33 0.07 0.00 -0.13 0.00 0.00 32.58 30.06 1ya4 s HIS 516 CO 0.53 0.41 0.12 -0.46 -2.47 0.00 0.00 174.74 172.88 1ya4 s TRP 517 N -0.19 3.39 0.29 3.88 -0.11 -1.26 -4.54 118.94 120.40 1ya4 s TRP 517 Ca 0.21 -1.96 -0.29 0.00 1.22 0.00 0.00 56.10 55.28 1ya4 s TRP 517 Cb -0.15 -2.63 -0.10 0.00 -1.50 0.00 0.00 33.47 29.09 1ya4 s TRP 517 CO 0.09 -0.86 1.30 -1.25 -4.62 0.00 0.00 176.95 171.61 1ya4 s PRO 518 N 1.25 4.38 0.60 5.86 0.04 -1.26 -4.85 135.00 141.03 1ya4 s PRO 518 Ca 0.01 2.15 -0.18 0.00 0.04 0.00 0.00 61.00 63.02 1ya4 s PRO 518 Cb -0.21 -3.11 -0.03 0.00 0.04 0.00 0.00 34.50 31.18 1ya4 s PRO 518 CO -0.01 -0.19 1.19 -2.00 0.04 0.00 0.00 177.00 176.04 1ya4 s GLU 519 N -1.24 2.95 -1.12 4.56 2.12 -1.26 -4.48 118.70 120.22 1ya4 s GLU 519 Ca 0.51 1.78 -0.18 0.00 0.36 0.00 0.00 54.97 57.44 1ya4 s GLU 519 Cb -0.38 -1.93 0.11 0.00 0.26 0.00 0.00 34.13 32.19 1ya4 s GLU 519 CO 0.47 -1.21 1.43 -0.47 -0.54 0.00 0.00 175.26 174.94 1ya4 s TYR 520 N -1.68 3.03 0.00 5.30 5.04 0.31 -4.00 117.35 125.35 1ya4 s TYR 520 Ca 0.76 -1.56 0.00 0.00 -2.44 0.00 0.00 57.07 53.83 1ya4 s TYR 520 Cb -0.29 -4.49 0.00 0.00 0.35 0.00 0.00 41.96 37.53 1ya4 s TYR 520 CO 0.34 -1.63 0.00 0.27 -1.34 0.00 0.00 175.55 173.19 1ya4 n ASN 521 N 7.19 0.00 0.02 4.32 0.23 -1.26 -4.54 115.26 121.22 1ya4 n ASN 521 Ca 0.36 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.41 1ya4 n ASN 521 Cb 0.47 0.00 0.31 0.00 -2.08 0.00 0.00 39.78 38.47 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 0.46 0.00 -3.83 1.08 -1.99 -1.03 115.11 109.81 1ya4 h GLN 522 Ca 0.00 -0.11 0.00 0.00 -1.45 0.00 0.00 58.65 57.09 1ya4 h GLN 522 Cb 0.00 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.37 1ya4 h GLN 522 CO 0.00 0.53 0.00 0.87 -0.95 0.00 0.00 178.83 179.28 1ya4 h LYS 523 N 0.44 0.00 -5.87 1.46 6.56 -1.94 -3.47 116.57 113.75 1ya4 h LYS 523 Ca 0.09 0.00 -0.36 0.00 -1.06 0.00 0.00 60.65 59.32 1ya4 h LYS 523 Cb 0.37 0.00 0.12 0.00 -0.57 0.00 0.00 32.23 32.14 1ya4 h LYS 523 CO 0.02 0.00 -0.84 0.39 -2.06 0.00 0.00 179.45 176.96 1ya4 n GLU 524 N -2.58 -4.19 -2.95 3.15 1.02 -0.39 -3.90 120.64 110.80 1ya4 n GLU 524 Ca 0.01 0.70 -0.40 0.00 -0.02 0.00 0.00 57.16 57.46 1ya4 n GLU 524 Cb 0.23 -5.32 -0.06 0.00 -0.02 0.00 0.00 31.44 26.27 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 -4.03 2.89 0.37 0.62 0.00 -1.26 -0.32 107.32 105.60 1ya4 s GLY 525 Ca 0.17 0.36 0.06 0.00 0.00 0.00 0.00 44.72 45.31 1ya4 s GLY 525 CO 0.79 1.01 0.21 -2.52 0.00 0.00 0.00 173.10 172.59 1ya4 s TYR 526 N -0.68 1.76 -0.18 1.90 -0.85 -0.63 -3.88 117.35 114.79 1ya4 s TYR 526 Ca 0.38 -1.50 0.01 0.00 -0.52 0.00 0.00 57.07 55.44 1ya4 s TYR 526 Cb -0.22 -0.91 0.02 0.00 0.38 0.00 0.00 41.96 41.22 1ya4 s TYR 526 CO 0.26 -0.62 -0.19 -1.17 -1.52 0.00 0.00 175.55 172.30 1ya4 s LEU 527 N -3.49 2.08 -0.17 -3.49 2.96 -0.70 -1.49 118.68 114.39 1ya4 s LEU 527 Ca 0.32 -0.63 -0.26 0.00 -0.22 0.00 0.00 54.13 53.34 1ya4 s LEU 527 Cb 0.02 -1.45 -0.01 0.00 0.50 0.00 0.00 46.19 45.25 1ya4 s LEU 527 CO 0.21 -0.00 0.89 -1.10 -1.32 0.00 0.00 176.35 175.03 1ya4 s GLN 528 N 1.30 4.31 -0.03 1.98 -0.21 -0.95 -0.76 119.66 125.30 1ya4 s GLN 528 Ca 0.05 1.12 0.04 0.00 0.02 0.00 0.00 55.36 56.59 1ya4 s GLN 528 Cb -0.13 -3.58 -0.03 0.00 1.00 0.00 0.00 33.01 30.27 1ya4 s GLN 528 CO -0.12 -0.36 -0.15 0.42 -2.12 0.00 0.00 175.29 172.95 1ya4 s ILE 529 N 2.26 3.03 -5.00 1.08 1.01 -0.72 -2.28 121.20 120.57 1ya4 s ILE 529 Ca 0.41 -0.83 0.00 0.00 0.00 0.00 0.00 60.65 60.22 1ya4 s ILE 529 Cb -0.17 -2.21 0.00 0.00 0.01 0.00 0.00 42.46 40.09 1ya4 s ILE 529 CO 0.13 0.52 0.00 0.61 0.00 0.00 0.00 174.94 176.20 1ya4 n GLY 530 N 2.09 -0.01 0.31 6.18 0.00 -1.26 -1.51 105.19 110.99 1ya4 n GLY 530 Ca -0.17 -1.26 0.14 0.00 0.00 0.00 0.00 46.02 44.74 1ya4 n GLY 530 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ya4 h ALA 531 N 0.00 1.38 -3.62 4.61 0.00 -1.96 -3.16 119.26 116.51 1ya4 h ALA 531 Ca 0.00 0.20 -0.66 0.00 0.00 0.00 0.00 54.91 54.45 1ya4 h ALA 531 Cb 0.00 0.25 -0.39 0.00 0.00 0.00 0.00 17.79 17.65 1ya4 h ALA 531 CO 0.00 -0.44 -0.70 -0.80 0.00 0.00 0.00 179.25 177.31 1ya4 s ASN 532 N -5.09 4.83 -0.48 0.00 0.01 -1.26 -5.07 114.94 107.87 1ya4 s ASN 532 Ca -0.12 -2.15 -0.18 0.00 -0.71 0.00 0.00 52.86 49.70 1ya4 s ASN 532 Cb 0.26 -1.66 0.06 0.00 0.41 0.00 0.00 41.25 40.32 1ya4 s ASN 532 CO 0.77 -0.40 0.54 -0.89 -1.51 0.00 0.00 177.10 175.62 1ya4 s THR 533 N 0.92 4.99 0.03 1.60 2.01 -1.20 -4.67 115.64 119.32 1ya4 s THR 533 Ca 0.11 -0.60 -0.07 0.00 0.31 0.00 0.00 61.69 61.44 1ya4 s THR 533 Cb -0.20 -4.22 -0.01 0.00 0.01 0.00 0.00 72.50 68.09 1ya4 s THR 533 CO -0.07 -0.69 0.12 0.00 -0.69 0.00 0.00 174.62 173.28 1ya4 s GLN 534 N 2.32 0.57 1.02 4.92 0.00 -0.97 -4.95 119.66 122.57 1ya4 s GLN 534 Ca 0.12 -0.63 -0.12 0.00 -0.00 0.00 0.00 55.36 54.73 1ya4 s GLN 534 Cb -0.20 0.23 0.20 0.00 0.00 0.00 0.00 33.01 33.24 1ya4 s GLN 534 CO 0.11 -0.14 1.08 0.00 0.00 0.00 0.00 175.29 176.33 1ya4 s ALA 535 N -2.23 0.71 0.00 2.60 0.00 -1.26 -2.23 121.76 119.35 1ya4 s ALA 535 Ca -0.08 -0.20 0.00 0.00 0.00 0.00 0.00 51.96 51.68 1ya4 s ALA 535 Cb -0.03 -3.18 0.00 0.00 0.00 0.00 0.00 23.12 19.91 1ya4 s ALA 535 CO -0.03 -3.01 0.00 0.00 0.00 0.00 0.00 175.76 172.72 1ya4 n ALA 536 N -4.32 0.00 -2.57 0.00 0.00 -0.55 -4.80 120.51 108.26 1ya4 n ALA 536 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.37 1ya4 n ALA 536 Cb 0.56 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.93 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 -1.06 1.41 -0.73 0.00 -0.21 -1.26 -1.61 119.66 116.21 1ya4 s GLN 537 Ca 0.00 -1.55 -0.19 0.00 0.02 0.00 0.00 55.36 53.64 1ya4 s GLN 537 Cb 0.00 0.35 0.03 0.00 1.00 0.00 0.00 33.01 34.39 1ya4 s GLN 537 CO 0.00 -0.52 0.42 1.63 -2.12 0.00 0.00 175.29 174.70 1ya4 n LYS 538 N -0.35 -0.59 -1.73 2.91 5.02 0.56 -4.82 118.16 119.16 1ya4 n LYS 538 Ca 0.01 -0.06 -0.42 0.00 -2.02 0.00 0.00 58.31 55.82 1ya4 n LYS 538 Cb 0.64 -1.21 -0.03 0.00 -0.02 0.00 0.00 35.03 34.42 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 -3.28 4.11 -0.12 -0.35 7.94 -1.26 -1.97 117.00 122.08 1ya4 n LEU 539 Ca -0.09 1.09 -0.01 0.00 -1.11 0.00 0.00 56.01 55.89 1ya4 n LEU 539 Cb 0.37 -1.58 -0.00 0.00 0.53 0.00 0.00 43.42 42.73 1ya4 n LEU 539 CO 0.46 0.16 -0.01 0.29 -1.11 0.00 0.00 177.39 177.18 1ya4 n LYS 540 N 3.31 -1.94 -0.31 1.96 4.76 -1.26 -4.79 118.16 119.89 1ya4 n LYS 540 Ca 0.13 0.33 0.07 0.00 -2.87 0.00 0.00 58.31 55.98 1ya4 n LYS 540 Cb 0.35 -4.07 0.18 0.00 -1.84 0.00 0.00 35.03 29.66 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 -0.59 -0.51 4.39 1.82 -1.76 0.20 116.42 119.98 1ya4 h ASP 541 Ca -0.02 0.25 0.00 0.00 -0.39 0.00 0.00 57.03 56.87 1ya4 h ASP 541 Cb 0.61 0.47 -0.03 0.00 0.68 0.00 0.00 39.33 41.07 1ya4 h ASP 541 CO 0.03 -0.28 0.34 0.50 -1.61 0.00 0.00 179.24 178.23 1ya4 h LYS 542 N 0.03 0.68 -0.38 0.28 3.64 -1.86 -2.62 116.57 116.34 1ya4 h LYS 542 Ca 0.47 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.69 1ya4 h LYS 542 Cb 0.84 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.49 1ya4 h LYS 542 CO -0.84 0.45 -0.24 0.93 -2.27 0.00 0.00 179.45 177.47 1ya4 h GLU 543 N 0.70 0.77 -0.21 1.90 3.07 -1.10 -1.93 114.58 117.77 1ya4 h GLU 543 Ca 0.19 -0.32 0.00 0.00 -0.50 0.00 0.00 59.36 58.73 1ya4 h GLU 543 Cb -0.08 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 27.79 1ya4 h GLU 543 CO -0.04 0.93 0.14 0.28 -1.40 0.00 0.00 179.01 178.92 1ya4 h VAL 544 N 0.66 1.05 -0.20 3.13 2.07 -0.71 -1.94 116.25 120.31 1ya4 h VAL 544 Ca 0.09 -0.10 0.01 0.00 0.82 0.00 0.00 66.70 67.52 1ya4 h VAL 544 Cb 0.76 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 1ya4 h VAL 544 CO 0.06 0.05 0.12 0.00 0.02 0.00 0.00 177.57 177.82 1ya4 h ALA 545 N 1.08 0.25 0.04 1.67 0.00 -1.37 -1.54 119.26 119.39 1ya4 h ALA 545 Ca 0.08 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1ya4 h ALA 545 Cb -0.03 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1ya4 h ALA 545 CO -0.02 -0.29 -0.03 0.35 0.00 0.00 0.00 179.25 179.26 1ya4 h PHE 546 N 0.25 -0.08 -0.71 0.00 3.57 -1.09 -3.11 116.94 115.76 1ya4 h PHE 546 Ca 0.08 0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.73 1ya4 h PHE 546 Cb -0.01 0.03 -0.11 0.00 2.79 0.00 0.00 35.95 38.65 1ya4 h PHE 546 CO -0.08 -0.04 0.17 -1.49 -2.23 0.00 0.00 178.31 174.64 1ya4 h TRP 547 N -0.06 0.26 -0.85 0.41 4.06 -1.42 -1.55 115.95 116.80 1ya4 h TRP 547 Ca -0.00 0.04 0.22 0.00 2.06 0.00 0.00 58.89 61.20 1ya4 h TRP 547 Cb 0.05 -0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 28.07 1ya4 h TRP 547 CO -0.02 -0.07 0.16 1.15 -3.56 0.00 0.00 178.44 176.10 1ya4 h THR 548 N 0.27 0.31 0.03 1.49 2.02 -1.27 0.83 112.91 116.58 1ya4 h THR 548 Ca 0.40 -0.06 -0.14 0.00 0.77 0.00 0.00 66.41 67.38 1ya4 h THR 548 Cb 0.66 0.12 0.01 0.00 -1.74 0.00 0.00 68.15 67.21 1ya4 h THR 548 CO -0.49 0.03 -0.55 0.78 0.37 0.00 0.00 175.52 175.66 1ya4 h ASN 549 N 0.17 0.43 -0.70 4.18 2.35 -1.24 -2.29 115.58 118.48 1ya4 h ASN 549 Ca 0.51 -0.82 0.15 0.00 -0.55 0.00 0.00 56.30 55.59 1ya4 h ASN 549 Cb 1.00 -0.13 -0.10 0.00 0.05 0.00 0.00 38.32 39.14 1ya4 h ASN 549 CO -0.67 1.20 0.16 0.25 -1.65 0.00 0.00 177.43 176.72 1ya4 h LEU 550 N -0.29 0.00 -1.13 1.61 5.85 -0.68 0.58 115.31 121.25 1ya4 h LEU 550 Ca -0.08 0.14 -0.09 0.00 0.84 0.00 0.00 57.88 58.69 1ya4 h LEU 550 Cb 1.31 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.52 1ya4 h LEU 550 CO 0.11 -0.03 -0.33 -0.26 -0.34 0.00 0.00 178.44 177.59 1ya4 h PHE 551 N 0.26 0.20 0.00 1.25 0.05 -0.91 0.26 116.94 118.05 1ya4 h PHE 551 Ca 0.38 -0.04 0.00 0.00 3.82 0.00 0.00 57.97 62.13 1ya4 h PHE 551 Cb 0.63 -0.05 0.00 0.00 2.00 0.00 0.00 35.95 38.53 1ya4 h PHE 551 CO -0.26 0.50 0.00 0.00 -0.18 0.00 0.00 178.31 178.36 1ya4 n ALA 552 N -2.48 1.91 -0.69 2.45 0.00 0.19 -5.10 120.51 116.80 1ya4 n ALA 552 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1ya4 n ALA 552 Cb 0.41 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.65 1ya4 n ALA 552 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13