#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yaj s SER 22 N 0.00 6.16 0.98 -3.46 0.15 -1.26 -5.08 113.70 111.18 1yaj s SER 22 Ca 0.00 -0.68 -0.15 0.00 0.70 0.00 0.00 55.95 55.82 1yaj s SER 22 Cb 0.00 -2.19 -0.06 0.00 -1.71 0.00 0.00 66.02 62.06 1yaj s SER 22 CO 0.00 -0.48 -0.23 -2.65 1.20 0.00 0.00 173.24 171.07 1yaj n PRO 23 N 5.39 -0.17 -2.72 5.44 -0.02 -1.26 -4.84 135.00 136.83 1yaj n PRO 23 Ca -0.09 -0.03 -0.41 0.00 -2.02 0.00 0.00 63.50 60.95 1yaj n PRO 23 Cb 0.48 -1.42 -0.05 0.00 -0.02 0.00 0.00 33.50 32.49 1yaj n PRO 23 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1yaj s PRO 24 N -2.80 4.74 -0.27 0.52 0.02 -1.16 -5.70 135.00 130.35 1yaj s PRO 24 Ca 0.48 1.48 -0.01 0.00 0.02 0.00 0.00 61.00 62.97 1yaj s PRO 24 Cb -0.19 -3.34 0.08 0.00 0.02 0.00 0.00 34.50 31.07 1yaj s PRO 24 CO 0.75 0.29 0.05 0.08 -0.33 0.00 0.00 177.00 177.84 1yaj s VAL 25 N -0.35 1.01 -0.02 3.83 1.01 -1.26 0.05 120.40 124.68 1yaj s VAL 25 Ca 0.45 -1.22 0.00 0.00 0.00 0.00 0.00 61.98 61.22 1yaj s VAL 25 Cb -0.24 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 1yaj s VAL 25 CO 0.31 -0.44 0.02 -0.69 0.00 0.00 0.00 175.10 174.29 1yaj s VAL 26 N 1.58 4.30 -0.32 2.92 1.01 0.31 -4.90 120.40 125.32 1yaj s VAL 26 Ca 0.04 -0.48 -0.11 0.00 0.00 0.00 0.00 61.98 61.43 1yaj s VAL 26 Cb -0.18 -2.90 -0.02 0.00 0.00 0.00 0.00 36.38 33.28 1yaj s VAL 26 CO -0.16 0.43 0.20 -0.62 0.00 0.00 0.00 175.10 174.95 1yaj s ASP 27 N -1.42 5.85 0.43 3.32 3.68 -1.26 0.84 116.67 128.11 1yaj s ASP 27 Ca 0.19 -0.36 0.07 0.00 2.13 0.00 0.00 52.55 54.57 1yaj s ASP 27 Cb -0.12 -2.08 -0.04 0.00 -1.45 0.00 0.00 42.92 39.24 1yaj s ASP 27 CO 0.09 -0.18 0.25 0.42 0.13 0.00 0.00 175.17 175.88 1yaj s THR 28 N 1.69 2.32 0.26 1.71 -4.23 -1.20 -4.81 115.64 111.38 1yaj s THR 28 Ca 0.06 -1.59 -0.02 0.00 -1.18 0.00 0.00 61.69 58.95 1yaj s THR 28 Cb -0.17 -2.91 0.25 0.00 1.34 0.00 0.00 72.50 71.01 1yaj s THR 28 CO 0.09 0.00 1.69 0.58 -0.54 0.00 0.00 174.62 176.44 1yaj h VAL 29 N 1.27 0.51 -0.00 2.29 2.07 -1.95 -2.10 116.25 118.34 1yaj h VAL 29 Ca -0.42 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 66.99 1yaj h VAL 29 Cb 1.26 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 1yaj h VAL 29 CO 0.66 0.06 -0.16 1.41 0.02 0.00 0.00 177.57 179.56 1yaj n HIS 30 N -5.12 0.00 0.00 1.57 8.25 -1.26 -5.03 115.22 113.63 1yaj n HIS 30 Ca 0.16 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.62 1yaj n HIS 30 Cb 0.51 -0.33 0.00 0.00 1.12 0.00 0.00 29.99 31.30 1yaj n HIS 30 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1yaj n GLY 31 N 1.42 4.47 3.74 -1.41 0.00 -0.79 -1.50 105.19 111.12 1yaj n GLY 31 Ca 0.09 -1.30 -0.41 0.00 0.00 0.00 0.00 46.02 44.41 1yaj n GLY 31 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1yaj n LYS 32 N -1.91 2.28 -4.82 1.61 4.76 -1.22 -3.26 118.16 115.60 1yaj n LYS 32 Ca 0.00 0.81 -0.27 0.00 -2.87 0.00 0.00 58.31 55.98 1yaj n LYS 32 Cb 0.00 -2.55 -0.16 0.00 -1.84 0.00 0.00 35.03 30.48 1yaj n LYS 32 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1yaj s VAL 33 N -1.16 1.44 -0.17 -0.18 1.01 0.25 -0.50 120.40 121.09 1yaj s VAL 33 Ca 0.58 -0.69 -0.07 0.00 0.00 0.00 0.00 61.98 61.80 1yaj s VAL 33 Cb -0.48 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 34.59 1yaj s VAL 33 CO 0.60 0.42 0.06 -0.22 0.00 0.00 0.00 175.10 175.96 1yaj s LEU 34 N 0.29 3.85 0.00 3.92 1.98 0.33 -0.53 118.68 128.52 1yaj s LEU 34 Ca -0.10 0.12 0.00 0.00 -2.89 0.00 0.00 54.13 51.26 1yaj s LEU 34 Cb -0.14 -1.96 -0.00 0.00 0.66 0.00 0.00 46.19 44.75 1yaj s LEU 34 CO 0.04 0.21 0.00 0.61 -1.89 0.00 0.00 176.35 175.32 1yaj n GLY 35 N 3.28 4.09 3.52 7.98 0.00 0.11 -0.21 105.19 123.96 1yaj n GLY 35 Ca -0.17 -1.95 -0.25 0.00 0.00 0.00 0.00 46.02 43.66 1yaj n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1yaj s LYS 36 N -2.04 1.76 -0.08 1.61 -2.85 -0.77 -2.98 119.74 114.38 1yaj s LYS 36 Ca 0.01 -1.95 -0.01 0.00 -1.00 0.00 0.00 55.97 53.01 1yaj s LYS 36 Cb 0.00 -1.38 -0.03 0.00 -2.06 0.00 0.00 37.83 34.35 1yaj s LYS 36 CO 0.00 -0.01 -0.01 -0.06 0.10 0.00 0.00 175.35 175.38 1yaj s PHE 37 N -2.88 3.13 0.01 1.78 2.99 -1.26 -1.84 117.98 119.91 1yaj s PHE 37 Ca 0.33 0.16 0.01 0.00 0.00 0.00 0.00 56.93 57.43 1yaj s PHE 37 Cb 0.06 -1.78 -0.01 0.00 0.00 0.00 0.00 43.02 41.29 1yaj s PHE 37 CO 0.16 0.44 -0.03 0.08 -0.00 0.00 0.00 175.22 175.87 1yaj s VAL 38 N -0.85 0.19 -0.06 -0.44 1.01 -0.62 -4.97 120.40 114.66 1yaj s VAL 38 Ca 0.13 -0.47 0.05 0.00 0.00 0.00 0.00 61.98 61.68 1yaj s VAL 38 Cb -0.11 -0.24 -0.00 0.00 0.00 0.00 0.00 36.38 36.03 1yaj s VAL 38 CO 0.02 -0.18 -0.20 -0.44 0.00 0.00 0.00 175.10 174.30 1yaj s SER 39 N -0.69 2.53 -0.14 3.32 0.01 -1.26 -0.03 113.70 117.45 1yaj s SER 39 Ca -0.06 -0.43 -0.06 0.00 1.31 0.00 0.00 55.95 56.72 1yaj s SER 39 Cb -0.05 -0.84 -0.04 0.00 0.21 0.00 0.00 66.02 65.31 1yaj s SER 39 CO -0.00 0.17 0.06 -0.22 0.41 0.00 0.00 173.24 173.65 1yaj s LEU 40 N 0.11 3.88 -0.48 2.44 2.96 -1.26 -5.02 118.68 121.30 1yaj s LEU 40 Ca -0.08 0.19 -0.30 0.00 -0.22 0.00 0.00 54.13 53.72 1yaj s LEU 40 Cb -0.14 -1.94 -0.10 0.00 0.50 0.00 0.00 46.19 44.50 1yaj s LEU 40 CO 0.04 0.29 2.36 1.21 -1.32 0.00 0.00 176.35 178.93 1yaj n GLU 41 N 2.76 1.03 0.00 1.98 4.07 -1.26 -2.26 120.64 126.96 1yaj n GLU 41 Ca -0.18 0.17 0.00 0.00 -0.06 0.00 0.00 57.16 57.09 1yaj n GLU 41 Cb 0.53 -2.81 0.00 0.00 -0.06 0.00 0.00 31.44 29.10 1yaj n GLU 41 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1yaj n GLY 42 N 6.22 0.82 2.98 8.31 0.00 -1.26 -5.12 105.19 117.14 1yaj n GLY 42 Ca 0.42 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.30 1yaj n GLY 42 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1yaj s PHE 43 N -1.50 -0.31 0.05 1.61 0.40 -0.96 -5.07 117.98 112.19 1yaj s PHE 43 Ca 0.00 0.78 -0.28 0.00 -0.60 0.00 0.00 56.93 56.83 1yaj s PHE 43 Cb 0.00 -0.05 -0.17 0.00 0.51 0.00 0.00 43.02 43.30 1yaj s PHE 43 CO 0.00 -0.27 1.46 0.00 0.70 0.00 0.00 175.22 177.11 1yaj h ALA 44 N 7.78 -0.61 -1.92 5.36 0.00 -2.00 -3.42 119.26 124.45 1yaj h ALA 44 Ca -0.27 -0.17 -0.57 0.00 0.00 0.00 0.00 54.91 53.90 1yaj h ALA 44 Cb 1.13 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 19.13 1yaj h ALA 44 CO 0.26 -0.77 1.23 -1.14 0.00 0.00 0.00 179.25 178.83 1yaj s GLN 45 N -5.46 3.48 0.45 0.00 2.00 -1.26 -4.97 119.66 113.90 1yaj s GLN 45 Ca -0.16 1.49 -0.24 0.00 -2.00 0.00 0.00 55.36 54.46 1yaj s GLN 45 Cb 0.03 -4.15 -0.07 0.00 0.80 0.00 0.00 33.01 29.62 1yaj s GLN 45 CO 0.58 -1.68 1.22 -1.25 -0.50 0.00 0.00 175.29 173.67 1yaj s PRO 46 N 5.34 3.75 0.12 1.67 0.04 -1.26 -4.89 135.00 139.77 1yaj s PRO 46 Ca 0.77 1.94 -0.27 0.00 0.04 0.00 0.00 61.00 63.48 1yaj s PRO 46 Cb -0.23 -2.50 -0.07 0.00 0.04 0.00 0.00 34.50 31.74 1yaj s PRO 46 CO 0.33 -0.60 0.84 0.08 0.04 0.00 0.00 177.00 177.68 1yaj s VAL 47 N -1.42 4.49 -0.33 -0.36 1.01 0.96 -4.86 120.40 119.88 1yaj s VAL 47 Ca 0.62 1.81 -0.18 0.00 0.00 0.00 0.00 61.98 64.23 1yaj s VAL 47 Cb -0.33 -4.20 -0.01 0.00 0.00 0.00 0.00 36.38 31.85 1yaj s VAL 47 CO 0.40 0.41 0.54 0.00 0.00 0.00 0.00 175.10 176.45 1yaj s ALA 48 N -0.49 3.49 -0.19 5.51 0.00 -0.86 -1.58 121.76 127.64 1yaj s ALA 48 Ca 0.40 -0.90 -0.07 0.00 0.00 0.00 0.00 51.96 51.39 1yaj s ALA 48 Cb -0.23 -3.02 -0.04 0.00 0.00 0.00 0.00 23.12 19.84 1yaj s ALA 48 CO 0.27 -1.15 0.05 0.42 0.00 0.00 0.00 175.76 175.35 1yaj s ILE 49 N 2.44 4.54 -0.21 0.00 1.01 -0.77 -2.16 121.20 126.05 1yaj s ILE 49 Ca 0.20 -0.12 0.02 0.00 0.00 0.00 0.00 60.65 60.75 1yaj s ILE 49 Cb -0.15 -3.05 0.04 0.00 0.01 0.00 0.00 42.46 39.30 1yaj s ILE 49 CO 0.13 0.44 -0.16 -0.36 0.00 0.00 0.00 174.94 174.99 1yaj s PHE 50 N 0.65 2.89 -0.03 3.97 0.40 -0.46 -1.85 117.98 123.55 1yaj s PHE 50 Ca 0.02 -1.86 0.00 0.00 -0.60 0.00 0.00 56.93 54.50 1yaj s PHE 50 Cb -0.13 -1.89 -0.03 0.00 0.51 0.00 0.00 43.02 41.48 1yaj s PHE 50 CO 0.02 -0.82 0.00 -0.51 0.70 0.00 0.00 175.22 174.61 1yaj s LEU 51 N 1.24 3.54 -0.45 -0.37 1.43 -0.48 -1.18 118.68 122.42 1yaj s LEU 51 Ca -0.00 0.05 -0.02 0.00 -1.03 0.00 0.00 54.13 53.12 1yaj s LEU 51 Cb -0.16 -1.95 0.00 0.00 0.03 0.00 0.00 46.19 44.12 1yaj s LEU 51 CO -0.10 0.32 0.33 0.61 0.23 0.00 0.00 176.35 177.74 1yaj n GLY 52 N 1.67 0.44 3.66 -3.19 0.00 -1.18 -3.74 105.19 102.84 1yaj n GLY 52 Ca -0.16 -0.41 -0.41 0.00 0.00 0.00 0.00 46.02 45.04 1yaj n GLY 52 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1yaj s ILE 53 N -3.01 4.94 -0.05 -0.61 1.01 -0.20 -4.82 121.20 118.46 1yaj s ILE 53 Ca 0.16 1.41 -0.30 0.00 0.00 0.00 0.00 60.65 61.93 1yaj s ILE 53 Cb -0.07 -4.04 -0.03 0.00 0.01 0.00 0.00 42.46 38.33 1yaj s ILE 53 CO 0.20 0.05 1.09 -2.16 0.00 0.00 0.00 174.94 174.12 1yaj s PRO 54 N 2.14 4.42 0.00 2.79 0.04 -1.26 0.38 135.00 143.51 1yaj s PRO 54 Ca 0.33 1.53 0.12 0.00 0.04 0.00 0.00 61.00 63.02 1yaj s PRO 54 Cb -0.16 -3.51 0.24 0.00 0.04 0.00 0.00 34.50 31.11 1yaj s PRO 54 CO 0.11 -0.31 1.12 1.97 0.04 0.00 0.00 177.00 179.93 1yaj n PHE 55 N 4.78 0.30 -3.52 0.56 1.16 -1.14 -4.93 117.46 114.66 1yaj n PHE 55 Ca 0.09 -0.29 -0.17 0.00 -1.87 0.00 0.00 57.45 55.21 1yaj n PHE 55 Cb 0.48 -0.01 -0.06 0.00 -1.61 0.00 0.00 39.48 38.28 1yaj n PHE 55 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1yaj s ALA 56 N -1.01 -1.79 0.18 1.98 0.00 -1.26 -4.64 121.76 115.22 1yaj s ALA 56 Ca 0.21 1.31 -0.31 0.00 0.00 0.00 0.00 51.96 53.18 1yaj s ALA 56 Cb 0.12 -0.05 -0.09 0.00 0.00 0.00 0.00 23.12 23.10 1yaj s ALA 56 CO 0.17 -0.38 1.38 0.21 0.00 0.00 0.00 175.76 177.13 1yaj s LYS 57 N -1.33 4.33 -0.42 0.00 2.20 -0.12 -4.64 119.74 119.76 1yaj s LYS 57 Ca -0.09 2.12 -0.39 0.00 -0.36 0.00 0.00 55.97 57.25 1yaj s LYS 57 Cb -0.00 -3.20 -0.15 0.00 -1.51 0.00 0.00 37.83 32.97 1yaj s LYS 57 CO 0.07 -0.37 2.17 -2.30 -0.36 0.00 0.00 175.35 174.57 1yaj n PRO 58 N 3.13 0.57 -0.26 4.03 -0.02 -1.26 -4.56 135.00 136.62 1yaj n PRO 58 Ca 0.09 0.15 -0.07 0.00 -2.02 0.00 0.00 63.50 61.65 1yaj n PRO 58 Cb 0.42 -2.01 -0.01 0.00 -0.02 0.00 0.00 33.50 31.88 1yaj n PRO 58 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1yaj n PRO 59 N 7.88 0.72 -3.65 0.52 -0.04 -1.26 -4.85 135.00 134.32 1yaj n PRO 59 Ca 0.48 -0.75 -0.24 0.00 -0.04 0.00 0.00 63.50 62.95 1yaj n PRO 59 Cb 0.10 -2.08 -0.02 0.00 -0.04 0.00 0.00 33.50 31.47 1yaj n PRO 59 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1yaj s LEU 60 N 0.03 4.16 0.00 1.53 1.43 -1.26 -3.91 118.68 120.66 1yaj s LEU 60 Ca 0.15 0.31 0.00 0.00 -1.03 0.00 0.00 54.13 53.55 1yaj s LEU 60 Cb 0.04 -3.13 0.00 0.00 0.03 0.00 0.00 46.19 43.14 1yaj s LEU 60 CO -0.01 -0.17 0.00 0.61 0.23 0.00 0.00 176.35 177.01 1yaj n GLY 61 N -1.44 3.76 0.24 -3.19 0.00 -1.26 -1.84 105.19 101.46 1yaj n GLY 61 Ca -0.06 -0.05 0.07 0.00 0.00 0.00 0.00 46.02 45.98 1yaj n GLY 61 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1yaj h PRO 62 N 0.00 0.00 0.00 1.61 0.13 -1.93 -2.10 132.00 129.71 1yaj h PRO 62 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1yaj h PRO 62 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1yaj h PRO 62 CO 0.00 0.16 0.00 1.28 -0.23 0.00 0.00 178.00 179.21 1yaj n LEU 63 N -4.19 0.00 -4.79 1.56 4.77 -0.76 -4.69 117.00 108.90 1yaj n LEU 63 Ca -0.02 0.07 -0.35 0.00 -0.03 0.00 0.00 56.01 55.68 1yaj n LEU 63 Cb 0.23 -0.07 -0.02 0.00 -2.33 0.00 0.00 43.42 41.22 1yaj n LEU 63 CO 0.35 -0.06 0.75 -0.60 -1.33 0.00 0.00 177.39 176.49 1yaj s ARG 64 N -2.14 3.76 -1.51 3.23 3.52 -0.79 -3.29 118.95 121.72 1yaj s ARG 64 Ca 0.06 1.49 -0.11 0.00 -0.13 0.00 0.00 55.73 57.04 1yaj s ARG 64 Cb 0.03 -2.19 0.08 0.00 -1.56 0.00 0.00 34.95 31.31 1yaj s ARG 64 CO 0.05 -0.49 0.85 1.19 -0.81 0.00 0.00 175.30 176.10 1yaj n PHE 65 N -0.82 -2.08 -3.69 5.12 3.72 -1.26 -4.95 117.46 113.49 1yaj n PHE 65 Ca 0.09 0.86 -0.13 0.00 -0.05 0.00 0.00 57.45 58.22 1yaj n PHE 65 Cb 0.51 -3.85 -0.07 0.00 -0.94 0.00 0.00 39.48 35.14 1yaj n PHE 65 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1yaj s THR 66 N -3.43 0.06 0.43 4.37 -4.23 -1.21 -4.86 115.64 106.78 1yaj s THR 66 Ca 0.50 -0.50 -0.23 0.00 -1.18 0.00 0.00 61.69 60.28 1yaj s THR 66 Cb -0.26 -0.92 -0.11 0.00 1.34 0.00 0.00 72.50 72.55 1yaj s THR 66 CO 0.85 -0.28 0.73 -2.65 -0.54 0.00 0.00 174.62 172.73 1yaj n PRO 67 N 0.59 0.85 -2.08 3.99 -0.02 -1.26 -4.88 135.00 132.17 1yaj n PRO 67 Ca -0.19 0.31 -0.42 0.00 -2.02 0.00 0.00 63.50 61.18 1yaj n PRO 67 Cb 0.59 -1.73 -0.03 0.00 -0.02 0.00 0.00 33.50 32.32 1yaj n PRO 67 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1yaj s PRO 68 N -1.80 4.28 0.15 0.52 0.04 -1.26 -5.03 135.00 131.89 1yaj s PRO 68 Ca 0.64 2.18 -0.03 0.00 0.04 0.00 0.00 61.00 63.83 1yaj s PRO 68 Cb -0.58 -3.22 -0.05 0.00 0.04 0.00 0.00 34.50 30.69 1yaj s PRO 68 CO 0.57 -0.50 0.36 -0.65 0.04 0.00 0.00 177.00 176.81 1yaj s GLN 69 N 1.16 3.56 0.64 4.56 -0.21 -1.26 -4.99 119.66 123.12 1yaj s GLN 69 Ca 0.67 -0.21 -0.18 0.00 0.02 0.00 0.00 55.36 55.66 1yaj s GLN 69 Cb -0.39 -2.87 -0.01 0.00 1.00 0.00 0.00 33.01 30.73 1yaj s GLN 69 CO 0.31 0.47 1.25 -2.14 -2.12 0.00 0.00 175.29 173.05 1yaj s PRO 70 N -2.82 2.66 0.57 2.91 0.02 -1.26 -0.95 135.00 136.13 1yaj s PRO 70 Ca 0.39 1.93 -0.17 0.00 0.02 0.00 0.00 61.00 63.18 1yaj s PRO 70 Cb -0.12 -1.88 -0.05 0.00 0.02 0.00 0.00 34.50 32.48 1yaj s PRO 70 CO 0.26 -1.48 1.05 0.00 -0.33 0.00 0.00 177.00 176.51 1yaj s ALA 71 N -1.55 2.77 0.05 -1.55 0.00 -1.26 -4.03 121.76 116.19 1yaj s ALA 71 Ca 0.80 0.44 -0.28 0.00 0.00 0.00 0.00 51.96 52.92 1yaj s ALA 71 Cb -0.34 -3.24 -0.05 0.00 0.00 0.00 0.00 23.12 19.50 1yaj s ALA 71 CO 0.38 -0.70 0.87 -1.21 0.00 0.00 0.00 175.76 175.10 1yaj s GLU 72 N -3.90 4.57 0.37 0.00 0.41 -1.26 -4.91 118.70 113.99 1yaj s GLU 72 Ca 0.64 1.26 -0.27 0.00 -0.41 0.00 0.00 54.97 56.20 1yaj s GLU 72 Cb -0.16 -3.40 -0.09 0.00 -1.78 0.00 0.00 34.13 28.70 1yaj s GLU 72 CO 0.33 0.16 1.21 -1.25 -0.49 0.00 0.00 175.26 175.23 1yaj s PRO 73 N 0.30 4.16 0.30 0.39 0.04 -1.26 -5.03 135.00 133.90 1yaj s PRO 73 Ca 0.44 1.97 -0.08 0.00 0.04 0.00 0.00 61.00 63.37 1yaj s PRO 73 Cb -0.21 -2.83 -0.06 0.00 0.04 0.00 0.00 34.50 31.44 1yaj s PRO 73 CO 0.26 -0.27 0.61 1.67 0.04 0.00 0.00 177.00 179.31 1yaj s TRP 74 N -1.30 3.45 -0.64 0.56 -2.14 -0.56 -5.02 118.94 113.29 1yaj s TRP 74 Ca 0.54 0.83 0.25 0.00 2.66 0.00 0.00 56.10 60.38 1yaj s TRP 74 Cb -0.34 -2.25 0.44 0.00 -3.10 0.00 0.00 33.47 28.22 1yaj s TRP 74 CO 0.44 0.14 1.43 0.77 -2.66 0.00 0.00 176.95 177.06 1yaj h SER 75 N 1.89 0.00 0.00 -2.66 0.02 -1.96 -3.42 113.55 107.42 1yaj h SER 75 Ca -0.47 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.33 1yaj h SER 75 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 1yaj h SER 75 CO 0.66 0.07 0.00 0.49 -1.14 0.00 0.00 176.83 176.92 1yaj n PHE 76 N -2.20 0.00 -3.55 3.45 3.01 -1.26 -5.02 117.46 111.90 1yaj n PHE 76 Ca 0.04 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 58.12 1yaj n PHE 76 Cb 0.44 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 39.81 1yaj n PHE 76 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1yaj s VAL 77 N 2.88 5.29 -0.22 -4.37 1.01 -1.26 -3.38 120.40 120.35 1yaj s VAL 77 Ca 0.00 0.27 -0.23 0.00 0.00 0.00 0.00 61.98 62.02 1yaj s VAL 77 Cb 0.00 -3.57 -0.01 0.00 0.00 0.00 0.00 36.38 32.80 1yaj s VAL 77 CO 0.00 0.25 0.74 -0.75 0.00 0.00 0.00 175.10 175.34 1yaj s LYS 78 N 1.70 4.20 -0.94 2.72 2.20 0.34 -4.82 119.74 125.15 1yaj s LYS 78 Ca 0.09 0.80 -0.25 0.00 -0.36 0.00 0.00 55.97 56.26 1yaj s LYS 78 Cb -0.16 -3.61 -0.09 0.00 -1.51 0.00 0.00 37.83 32.46 1yaj s LYS 78 CO 0.10 -0.39 2.07 -0.80 -0.36 0.00 0.00 175.35 175.97 1yaj s ASN 79 N 1.29 4.68 -1.34 1.43 0.01 -1.26 -0.51 114.94 119.23 1yaj s ASN 79 Ca 0.32 -0.69 -0.07 0.00 -0.71 0.00 0.00 52.86 51.72 1yaj s ASN 79 Cb -0.16 -2.57 0.11 0.00 0.41 0.00 0.00 41.25 39.05 1yaj s ASN 79 CO 0.09 -3.25 2.34 0.00 -1.51 0.00 0.00 177.10 174.78 1yaj n ALA 80 N 15.66 6.61 -0.30 0.60 0.00 0.70 -4.51 120.51 139.28 1yaj n ALA 80 Ca 0.43 -4.08 0.02 0.00 0.00 0.00 0.00 53.44 49.81 1yaj n ALA 80 Cb 0.46 -2.87 0.03 0.00 0.00 0.00 0.00 19.45 17.07 1yaj n ALA 80 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1yaj n THR 81 N 2.20 1.10 -4.43 0.00 -2.24 -1.25 -1.38 114.28 108.29 1yaj n THR 81 Ca 0.60 -1.18 -0.25 0.00 -2.27 0.00 0.00 64.05 60.95 1yaj n THR 81 Cb 0.27 0.38 -0.11 0.00 -2.10 0.00 0.00 70.33 68.77 1yaj n THR 81 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1yaj s SER 82 N -1.31 3.39 -0.10 3.42 0.15 -1.26 -4.91 113.70 113.08 1yaj s SER 82 Ca 0.06 -0.92 -0.30 0.00 0.70 0.00 0.00 55.95 55.50 1yaj s SER 82 Cb 0.05 -0.26 -0.03 0.00 -1.71 0.00 0.00 66.02 64.08 1yaj s SER 82 CO 0.01 0.07 1.25 -0.31 1.20 0.00 0.00 173.24 175.46 1yaj s TYR 83 N -2.00 3.00 0.77 3.44 2.02 -1.26 -3.67 117.35 119.65 1yaj s TYR 83 Ca 0.23 1.08 -0.12 0.00 -0.37 0.00 0.00 57.07 57.89 1yaj s TYR 83 Cb -0.07 -3.48 0.06 0.00 -0.40 0.00 0.00 41.96 38.07 1yaj s TYR 83 CO 0.11 -1.59 1.12 -1.25 -1.57 0.00 0.00 175.55 172.37 1yaj s PRO 84 N 2.79 2.13 0.97 -1.71 0.04 -1.26 -4.96 135.00 133.00 1yaj s PRO 84 Ca 0.56 1.39 -0.12 0.00 0.04 0.00 0.00 61.00 62.87 1yaj s PRO 84 Cb -0.24 -1.87 0.17 0.00 0.04 0.00 0.00 34.50 32.60 1yaj s PRO 84 CO 0.19 -1.77 1.10 -2.14 0.04 0.00 0.00 177.00 174.42 1yaj s PRO 85 N -4.50 0.65 0.06 0.56 0.02 -1.26 -4.81 135.00 125.72 1yaj s PRO 85 Ca 0.66 0.54 0.06 0.00 0.02 0.00 0.00 61.00 62.28 1yaj s PRO 85 Cb -0.21 -1.76 -0.04 0.00 0.02 0.00 0.00 34.50 32.51 1yaj s PRO 85 CO 0.51 -2.58 -0.10 0.00 -0.33 0.00 0.00 177.00 174.50 1yaj s MET 86 N -5.00 2.27 0.19 5.54 0.23 -0.06 -4.80 119.30 117.67 1yaj s MET 86 Ca 0.65 -0.92 -0.33 0.00 -1.03 0.00 0.00 55.69 54.06 1yaj s MET 86 Cb -0.18 -2.36 -0.14 0.00 -1.53 0.00 0.00 34.83 30.62 1yaj s MET 86 CO 0.57 0.54 1.41 0.00 -2.03 0.00 0.00 175.02 175.51 1yaj n THR 88 N 2.35 0.16 -3.71 0.00 -1.04 -1.21 -4.79 114.28 106.04 1yaj n THR 88 Ca 0.14 -0.04 -0.03 0.00 -2.04 0.00 0.00 64.05 62.08 1yaj n THR 88 Cb 0.28 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.78 1yaj n THR 88 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1yaj s GLN 89 N -0.08 1.05 -0.61 -2.82 -2.07 -1.26 -4.81 119.66 109.06 1yaj s GLN 89 Ca 0.71 -0.56 -0.26 0.00 -1.82 0.00 0.00 55.36 53.43 1yaj s GLN 89 Cb -1.00 0.37 -0.10 0.00 -1.09 0.00 0.00 33.01 31.19 1yaj s GLN 89 CO 0.46 -0.48 2.43 -3.47 -1.32 0.00 0.00 175.29 172.91 1yaj n ASP 90 N -0.44 1.98 -0.28 12.60 2.03 -1.26 -4.83 116.55 126.36 1yaj n ASP 90 Ca -0.07 -0.71 0.08 0.00 0.52 0.00 0.00 54.79 54.62 1yaj n ASP 90 Cb 0.61 -1.54 0.21 0.00 -0.72 0.00 0.00 41.12 39.68 1yaj n ASP 90 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1yaj h PRO 91 N 17.35 0.14 0.22 -0.67 0.13 -1.97 0.27 132.00 147.46 1yaj h PRO 91 Ca -0.16 -0.01 0.01 0.00 -0.87 0.00 0.00 66.00 64.97 1yaj h PRO 91 Cb 1.20 -0.03 -0.04 0.00 0.13 0.00 0.00 31.00 32.26 1yaj h PRO 91 CO 1.15 0.09 -0.47 0.87 -0.23 0.00 0.00 178.00 179.41 1yaj h LYS 92 N 0.15 -0.74 -0.29 0.86 1.57 -1.99 0.64 116.57 116.76 1yaj h LYS 92 Ca 0.47 0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 59.24 1yaj h LYS 92 Cb 0.89 0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.36 1yaj h LYS 92 CO -0.67 -0.50 -0.06 0.00 -0.57 0.00 0.00 179.45 177.66 1yaj h ALA 93 N -0.45 0.39 -0.53 3.86 0.00 -1.77 -0.69 119.26 120.07 1yaj h ALA 93 Ca -0.01 -0.27 0.09 0.00 0.00 0.00 0.00 54.91 54.72 1yaj h ALA 93 Cb 0.75 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.37 1yaj h ALA 93 CO -0.21 0.20 0.12 0.78 0.00 0.00 0.00 179.25 180.14 1yaj h GLY 94 N 0.31 0.67 1.79 0.00 0.00 -0.34 0.33 103.07 105.83 1yaj h GLY 94 Ca 0.07 -0.04 -0.15 0.00 0.00 0.00 0.00 47.33 47.21 1yaj h GLY 94 CO 0.03 -0.07 -0.65 -1.61 0.00 0.00 0.00 176.54 174.23 1yaj h GLN 95 N 0.26 0.22 0.92 4.80 4.15 -0.82 -1.66 115.11 122.97 1yaj h GLN 95 Ca 0.27 -0.16 -0.05 0.00 0.77 0.00 0.00 58.65 59.48 1yaj h GLN 95 Cb 0.37 0.03 0.01 0.00 0.21 0.00 0.00 27.48 28.10 1yaj h GLN 95 CO -0.34 0.79 -0.44 1.25 -1.93 0.00 0.00 178.83 178.16 1yaj h LEU 96 N 0.15 -1.05 -1.64 -2.39 5.85 0.10 -2.36 115.31 113.98 1yaj h LEU 96 Ca -0.01 0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.82 1yaj h LEU 96 Cb 1.18 0.27 -0.03 0.00 0.37 0.00 0.00 40.66 42.45 1yaj h LEU 96 CO 0.10 -0.71 0.37 0.25 -0.34 0.00 0.00 178.44 178.11 1yaj h LEU 97 N -1.31 0.38 -0.48 2.25 5.85 -1.01 -1.54 115.31 119.45 1yaj h LEU 97 Ca -0.13 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.66 1yaj h LEU 97 Cb 0.95 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.85 1yaj h LEU 97 CO 0.21 0.24 0.17 -1.28 -0.34 0.00 0.00 178.44 177.44 1yaj h SER 98 N 0.43 0.18 -0.00 1.25 0.87 -1.02 -0.95 113.55 114.30 1yaj h SER 98 Ca 0.25 0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.87 1yaj h SER 98 Cb 0.43 0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 62.43 1yaj h SER 98 CO -0.07 0.13 0.00 -0.33 -0.53 0.00 0.00 176.83 176.04 1yaj h GLU 99 N 0.35 0.00 -0.80 2.24 5.08 -0.76 -1.18 114.58 119.51 1yaj h GLU 99 Ca 0.23 -0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.64 1yaj h GLU 99 Cb 0.23 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.43 1yaj h GLU 99 CO -0.23 0.19 0.52 -0.07 -1.00 0.00 0.00 179.01 178.42 1yaj h LEU 100 N -0.19 0.79 0.06 1.33 3.38 -1.08 -3.22 115.31 116.38 1yaj h LEU 100 Ca 0.00 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.63 1yaj h LEU 100 Cb 0.19 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 1yaj h LEU 100 CO -0.00 0.52 -1.94 0.49 0.09 0.00 0.00 178.44 177.59 1yaj n PHE 101 N -4.47 0.98 -0.95 1.13 3.72 -0.40 -4.99 117.46 112.47 1yaj n PHE 101 Ca 0.11 0.27 -0.30 0.00 -0.05 0.00 0.00 57.45 57.49 1yaj n PHE 101 Cb 0.19 -1.15 0.01 0.00 -0.94 0.00 0.00 39.48 37.59 1yaj n PHE 101 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 1yaj n THR 102 N -3.24 0.00 -0.59 4.37 5.66 -0.45 -4.78 114.28 115.25 1yaj n THR 102 Ca -0.27 -0.38 0.06 0.00 -3.05 0.00 0.00 64.05 60.41 1yaj n THR 102 Cb 1.05 0.00 0.09 0.00 -1.55 0.00 0.00 70.33 69.93 1yaj n THR 102 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 1yaj n ASN 103 N 1.91 2.36 -4.63 1.09 6.94 -1.25 -4.96 115.26 116.72 1yaj n ASN 103 Ca 0.06 -2.59 -0.31 0.00 -0.02 0.00 0.00 54.58 51.72 1yaj n ASN 103 Cb 0.36 -0.26 -0.09 0.00 -2.36 0.00 0.00 39.78 37.43 1yaj n ASN 103 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1yaj s ARG 104 N -2.02 2.54 0.01 -3.83 1.70 -1.26 -4.37 118.95 111.70 1yaj s ARG 104 Ca 0.20 -0.77 -0.01 0.00 -0.47 0.00 0.00 55.73 54.67 1yaj s ARG 104 Cb 0.16 -2.52 -0.00 0.00 -0.57 0.00 0.00 34.95 32.03 1yaj s ARG 104 CO 0.03 0.58 0.89 0.36 -1.08 0.00 0.00 175.30 176.08 1yaj n LYS 105 N 1.16 -0.02 -3.63 3.89 2.85 -1.12 -4.37 118.16 116.93 1yaj n LYS 105 Ca -0.14 0.89 -0.37 0.00 -1.05 0.00 0.00 58.31 57.65 1yaj n LYS 105 Cb 0.52 -1.34 -0.07 0.00 -0.65 0.00 0.00 35.03 33.50 1yaj n LYS 105 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 177.40 175.52 1yaj s GLU 106 N -3.10 3.94 0.26 -1.58 -1.05 -1.26 -5.00 118.70 110.90 1yaj s GLU 106 Ca -0.00 0.11 -0.30 0.00 -0.15 0.00 0.00 54.97 54.63 1yaj s GLU 106 Cb 0.00 -3.30 -0.09 0.00 -0.44 0.00 0.00 34.13 30.30 1yaj s GLU 106 CO 0.02 0.51 1.04 1.21 0.95 0.00 0.00 175.26 178.99 1yaj s ASN 107 N -0.37 7.41 -0.24 0.83 3.04 -1.26 -5.02 114.94 119.33 1yaj s ASN 107 Ca 0.18 2.13 -0.10 0.00 0.04 0.00 0.00 52.86 55.11 1yaj s ASN 107 Cb -0.14 -2.62 -0.05 0.00 -1.54 0.00 0.00 41.25 36.91 1yaj s ASN 107 CO 0.06 -0.03 0.16 -0.63 -3.04 0.00 0.00 177.10 173.62 1yaj s ILE 108 N -1.10 5.35 0.16 -5.21 -1.09 -1.26 -5.07 121.20 112.99 1yaj s ILE 108 Ca 0.43 0.18 -0.30 0.00 -2.23 0.00 0.00 60.65 58.73 1yaj s ILE 108 Cb -0.29 -3.49 -0.07 0.00 -1.58 0.00 0.00 42.46 37.02 1yaj s ILE 108 CO 0.37 0.35 1.13 -2.16 -1.23 0.00 0.00 174.94 173.40 1yaj s PRO 109 N 1.03 4.55 0.11 2.79 0.04 -1.26 -4.99 135.00 137.28 1yaj s PRO 109 Ca 0.07 1.75 0.09 0.00 0.04 0.00 0.00 61.00 62.95 1yaj s PRO 109 Cb -0.13 -3.28 -0.04 0.00 0.04 0.00 0.00 34.50 31.09 1yaj s PRO 109 CO 0.04 0.00 -0.18 -0.51 0.04 0.00 0.00 177.00 176.40 1yaj s LEU 110 N -0.17 2.70 0.25 -3.56 1.43 -1.26 -5.12 118.68 112.95 1yaj s LEU 110 Ca 0.51 -0.54 -0.09 0.00 -1.03 0.00 0.00 54.13 52.98 1yaj s LEU 110 Cb -0.30 -1.55 -0.07 0.00 0.03 0.00 0.00 46.19 44.30 1yaj s LEU 110 CO 0.35 0.19 0.57 -0.75 0.23 0.00 0.00 176.35 176.93 1yaj s LYS 111 N -2.08 3.78 -0.12 1.70 2.47 -1.26 -4.91 119.74 119.32 1yaj s LYS 111 Ca 0.18 0.26 -0.10 0.00 -1.56 0.00 0.00 55.97 54.74 1yaj s LYS 111 Cb -0.11 -2.62 -0.05 0.00 -1.46 0.00 0.00 37.83 33.60 1yaj s LYS 111 CO 0.10 0.27 0.21 -0.51 0.16 0.00 0.00 175.35 175.58 1yaj s LEU 112 N -3.00 4.35 -0.21 5.43 1.43 -1.26 -0.88 118.68 124.53 1yaj s LEU 112 Ca 0.47 0.52 -0.28 0.00 -1.03 0.00 0.00 54.13 53.81 1yaj s LEU 112 Cb -0.11 -2.22 0.12 0.00 0.03 0.00 0.00 46.19 44.02 1yaj s LEU 112 CO 0.23 0.30 1.01 -0.55 0.23 0.00 0.00 176.35 177.57 1yaj s SER 113 N -0.52 -0.41 0.47 2.29 0.15 -1.06 -4.91 113.70 109.71 1yaj s SER 113 Ca 0.15 0.61 0.19 0.00 0.70 0.00 0.00 55.95 57.60 1yaj s SER 113 Cb -0.13 0.55 1.15 0.00 -1.71 0.00 0.00 66.02 65.89 1yaj s SER 113 CO 0.04 -0.26 2.02 -0.33 1.20 0.00 0.00 173.24 175.91 1yaj h GLU 114 N 3.29 0.00 -6.30 5.44 5.08 -1.96 -3.21 114.58 116.92 1yaj h GLU 114 Ca -0.23 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.60 1yaj h GLU 114 Cb 1.17 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.35 1yaj h GLU 114 CO 0.22 0.17 1.11 0.34 -1.00 0.00 0.00 179.01 179.85 1yaj s ASP 115 N -6.73 6.01 0.00 1.42 2.15 -1.26 -4.62 116.67 113.63 1yaj s ASP 115 Ca -0.04 -0.26 0.00 0.00 0.43 0.00 0.00 52.55 52.68 1yaj s ASP 115 Cb 0.15 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 40.22 1yaj s ASP 115 CO 0.66 -1.92 0.35 0.00 -0.17 0.00 0.00 175.17 174.08 1yaj n LEU 117 N 0.00 5.94 -4.23 0.00 4.77 -1.26 -4.65 117.00 117.56 1yaj n LEU 117 Ca 0.00 -4.12 -0.14 0.00 -0.03 0.00 0.00 56.01 51.72 1yaj n LEU 117 Cb 0.49 -1.68 -0.10 0.00 -2.33 0.00 0.00 43.42 39.80 1yaj n LEU 117 CO 0.00 0.71 -0.41 -0.31 -1.33 0.00 0.00 177.39 176.05 1yaj s TYR 118 N 3.26 1.22 0.18 -1.77 1.51 -1.26 -2.89 117.35 117.61 1yaj s TYR 118 Ca 0.49 -0.74 0.06 0.00 -1.01 0.00 0.00 57.07 55.87 1yaj s TYR 118 Cb 0.08 -0.63 -0.05 0.00 -0.11 0.00 0.00 41.96 41.25 1yaj s TYR 118 CO -0.01 0.06 -0.11 -0.48 -1.11 0.00 0.00 175.55 173.90 1yaj s LEU 119 N -3.02 2.52 -0.09 -1.29 0.05 0.16 -2.61 118.68 114.40 1yaj s LEU 119 Ca 0.14 -1.03 0.03 0.00 0.05 0.00 0.00 54.13 53.33 1yaj s LEU 119 Cb 0.01 -0.50 -0.01 0.00 -2.05 0.00 0.00 46.19 43.65 1yaj s LEU 119 CO 0.00 -0.27 -0.20 0.20 -0.55 0.00 0.00 176.35 175.53 1yaj s ASN 120 N -3.25 3.44 -0.07 1.48 0.01 0.02 -1.03 114.94 115.54 1yaj s ASN 120 Ca 0.20 -0.44 0.03 0.00 -0.71 0.00 0.00 52.86 51.93 1yaj s ASN 120 Cb 0.01 -1.25 -0.02 0.00 0.41 0.00 0.00 41.25 40.40 1yaj s ASN 120 CO 0.04 0.20 -0.14 -0.63 -1.51 0.00 0.00 177.10 175.07 1yaj s ILE 121 N 0.09 3.08 -0.23 0.60 1.01 -0.32 -1.54 121.20 123.89 1yaj s ILE 121 Ca -0.09 -0.70 -0.00 0.00 0.00 0.00 0.00 60.65 59.85 1yaj s ILE 121 Cb -0.15 -2.23 0.06 0.00 0.01 0.00 0.00 42.46 40.15 1yaj s ILE 121 CO 0.06 0.57 -0.02 -0.31 0.00 0.00 0.00 174.94 175.24 1yaj s TYR 122 N -0.46 2.06 -0.17 3.97 1.51 0.13 -1.35 117.35 123.04 1yaj s TYR 122 Ca 0.06 -1.57 0.01 0.00 -1.01 0.00 0.00 57.07 54.56 1yaj s TYR 122 Cb -0.12 -1.49 0.02 0.00 -0.11 0.00 0.00 41.96 40.26 1yaj s TYR 122 CO 0.02 -0.75 -0.19 -0.08 -1.11 0.00 0.00 175.55 173.44 1yaj s THR 123 N 1.51 2.17 -2.17 -0.71 -1.32 -0.92 -0.17 115.64 114.04 1yaj s THR 123 Ca -0.03 -0.91 0.20 0.00 -1.21 0.00 0.00 61.69 59.74 1yaj s THR 123 Cb -0.18 -1.91 0.50 0.00 -1.51 0.00 0.00 72.50 69.40 1yaj s THR 123 CO -0.08 0.53 1.64 -0.81 -2.21 0.00 0.00 174.62 173.69 1yaj n PRO 124 N 4.50 1.41 -3.24 7.08 -0.04 -1.26 -2.03 135.00 141.42 1yaj n PRO 124 Ca -0.21 -0.62 -0.34 0.00 -0.04 0.00 0.00 63.50 62.30 1yaj n PRO 124 Cb 0.50 -1.36 -0.06 0.00 -0.04 0.00 0.00 33.50 32.55 1yaj n PRO 124 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1yaj s ALA 125 N -1.89 3.47 -0.01 0.55 0.00 -1.26 -4.85 121.76 117.76 1yaj s ALA 125 Ca 0.31 -0.03 -0.30 0.00 0.00 0.00 0.00 51.96 51.93 1yaj s ALA 125 Cb 0.16 -2.65 -0.05 0.00 0.00 0.00 0.00 23.12 20.58 1yaj s ALA 125 CO 0.25 0.40 1.41 0.34 0.00 0.00 0.00 175.76 178.16 1yaj s ASP 126 N -1.96 6.84 0.12 0.00 -1.08 -1.26 -4.79 116.67 114.54 1yaj s ASP 126 Ca 0.45 2.10 0.26 0.00 -0.52 0.00 0.00 52.55 54.84 1yaj s ASP 126 Cb -0.14 -2.56 0.97 0.00 -1.46 0.00 0.00 42.92 39.73 1yaj s ASP 126 CO 0.20 -0.73 1.79 0.18 0.52 0.00 0.00 175.17 177.13 1yaj n LEU 127 N 5.51 0.42 -0.06 -1.34 4.77 -1.26 -3.05 117.00 121.99 1yaj n LEU 127 Ca 0.13 0.55 0.14 0.00 -0.03 0.00 0.00 56.01 56.80 1yaj n LEU 127 Cb 0.44 -0.43 0.55 0.00 -2.33 0.00 0.00 43.42 41.65 1yaj n LEU 127 CO 0.59 -0.17 0.82 0.35 -1.33 0.00 0.00 177.39 177.65 1yaj n THR 128 N -1.91 0.00 -4.24 -5.08 -2.24 -1.26 -4.81 114.28 94.74 1yaj n THR 128 Ca 0.05 -0.03 -0.19 0.00 -2.27 0.00 0.00 64.05 61.61 1yaj n THR 128 Cb 0.35 -0.14 -0.12 0.00 -2.10 0.00 0.00 70.33 68.31 1yaj n THR 128 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1yaj s LYS 129 N -2.70 0.86 0.27 -0.78 1.02 -1.17 -5.11 119.74 112.13 1yaj s LYS 129 Ca 0.22 -0.88 -0.30 0.00 0.02 0.00 0.00 55.97 55.04 1yaj s LYS 129 Cb 0.19 -0.88 -0.14 0.00 -0.52 0.00 0.00 37.83 36.49 1yaj s LYS 129 CO 0.53 0.20 1.21 1.17 -0.92 0.00 0.00 175.35 177.54 1yaj n LYS 130 N 1.52 1.70 -3.64 1.68 4.81 -1.26 -4.79 118.16 118.18 1yaj n LYS 130 Ca -0.20 0.60 -0.08 0.00 -0.87 0.00 0.00 58.31 57.76 1yaj n LYS 130 Cb 0.54 -2.12 -0.07 0.00 0.02 0.00 0.00 35.03 33.40 1yaj n LYS 130 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 1yaj s ASN 131 N -0.17 -0.66 -0.47 3.14 0.01 -1.26 -5.02 114.94 110.51 1yaj s ASN 131 Ca 0.63 1.17 0.04 0.00 -0.71 0.00 0.00 52.86 53.99 1yaj s ASN 131 Cb -0.68 1.23 0.17 0.00 0.41 0.00 0.00 41.25 42.38 1yaj s ASN 131 CO 0.56 -0.19 0.38 0.54 -1.51 0.00 0.00 177.10 176.88 1yaj n ARG 132 N 3.18 0.52 -3.34 -0.60 3.00 -1.10 -3.76 116.66 114.55 1yaj n ARG 132 Ca -0.16 -3.43 -0.33 0.00 -0.01 0.00 0.00 57.85 53.91 1yaj n ARG 132 Cb 0.57 -1.78 -0.06 0.00 0.00 0.00 0.00 32.46 31.19 1yaj n ARG 132 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1yaj s LEU 133 N -0.27 4.22 0.88 0.55 1.43 0.24 -4.17 118.68 121.56 1yaj s LEU 133 Ca 0.32 1.04 -0.13 0.00 -1.03 0.00 0.00 54.13 54.33 1yaj s LEU 133 Cb 0.03 -3.60 0.06 0.00 0.03 0.00 0.00 46.19 42.70 1yaj s LEU 133 CO -0.19 -0.03 0.75 -0.81 0.23 0.00 0.00 176.35 176.30 1yaj n PRO 134 N 0.17 -0.12 -4.99 1.29 -0.04 -1.26 -0.05 135.00 130.01 1yaj n PRO 134 Ca -0.01 0.02 -0.31 0.00 -0.04 0.00 0.00 63.50 63.16 1yaj n PRO 134 Cb 0.52 -2.09 -0.14 0.00 -0.04 0.00 0.00 33.50 31.75 1yaj n PRO 134 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1yaj s VAL 135 N -2.30 2.50 -0.32 0.52 1.01 -0.76 -1.73 120.40 119.33 1yaj s VAL 135 Ca 0.64 -1.07 0.01 0.00 0.00 0.00 0.00 61.98 61.56 1yaj s VAL 135 Cb -0.26 -1.96 0.10 0.00 0.00 0.00 0.00 36.38 34.26 1yaj s VAL 135 CO 0.60 0.50 0.08 -0.04 0.00 0.00 0.00 175.10 176.23 1yaj s MET 136 N -0.93 1.02 -0.12 2.72 -1.94 -0.43 0.47 119.30 120.09 1yaj s MET 136 Ca 0.12 -1.38 -0.25 0.00 -1.71 0.00 0.00 55.69 52.47 1yaj s MET 136 Cb -0.10 -2.47 -0.02 0.00 2.01 0.00 0.00 34.83 34.25 1yaj s MET 136 CO 0.01 -0.96 0.82 0.08 -0.01 0.00 0.00 175.02 174.96 1yaj s VAL 137 N 1.34 4.92 -0.12 -6.03 1.01 -0.40 -1.58 120.40 119.55 1yaj s VAL 137 Ca 0.10 1.64 -0.03 0.00 0.00 0.00 0.00 61.98 63.69 1yaj s VAL 137 Cb -0.18 -4.14 -0.03 0.00 0.00 0.00 0.00 36.38 32.03 1yaj s VAL 137 CO -0.18 0.10 -0.03 0.86 0.00 0.00 0.00 175.10 175.85 1yaj s TRP 138 N 1.67 3.06 -0.25 5.22 -0.11 0.37 -1.75 118.94 127.15 1yaj s TRP 138 Ca 0.40 -0.08 -0.03 0.00 1.22 0.00 0.00 56.10 57.61 1yaj s TRP 138 Cb -0.17 -1.87 0.01 0.00 -1.50 0.00 0.00 33.47 29.94 1yaj s TRP 138 CO 0.16 0.18 -0.04 0.42 -4.62 0.00 0.00 176.95 173.05 1yaj s ILE 139 N -0.20 3.14 1.20 5.86 1.01 -0.74 -2.80 121.20 128.66 1yaj s ILE 139 Ca 0.04 -0.84 -0.18 0.00 0.00 0.00 0.00 60.65 59.68 1yaj s ILE 139 Cb -0.13 -2.55 0.28 0.00 0.01 0.00 0.00 42.46 40.08 1yaj s ILE 139 CO 0.02 0.25 1.07 -1.38 0.00 0.00 0.00 174.94 174.90 1yaj s HIS 140 N 1.39 0.74 0.00 3.97 -3.43 -1.26 -3.53 115.29 113.17 1yaj s HIS 140 Ca 0.02 0.68 0.00 0.00 -0.80 0.00 0.00 55.06 54.96 1yaj s HIS 140 Cb -0.16 -3.28 0.00 0.00 -1.43 0.00 0.00 32.58 27.71 1yaj s HIS 140 CO -0.03 -3.87 0.00 0.41 -2.00 0.00 0.00 174.74 169.25 1yaj n GLY 141 N -0.42 4.37 0.00 -1.38 0.00 -1.25 -3.29 105.19 103.21 1yaj n GLY 141 Ca 0.10 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.23 1yaj n GLY 141 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yaj n GLY 142 N 5.00 0.83 1.83 -0.02 0.00 -1.26 -4.25 105.19 107.32 1yaj n GLY 142 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1yaj n GLY 142 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yaj n GLY 143 N 0.00 -0.28 2.58 -0.02 0.00 -1.26 0.15 105.19 106.36 1yaj n GLY 143 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 1yaj n GLY 143 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1yaj n LEU 144 N -1.82 0.24 -0.04 0.99 4.77 -1.26 -4.81 117.00 115.06 1yaj n LEU 144 Ca 0.00 0.08 -0.02 0.00 -0.03 0.00 0.00 56.01 56.04 1yaj n LEU 144 Cb 0.28 -1.85 -0.09 0.00 -2.33 0.00 0.00 43.42 39.43 1yaj n LEU 144 CO 0.00 -0.66 -0.79 0.23 -1.33 0.00 0.00 177.39 174.84 1yaj n MET 145 N -0.96 1.74 -4.06 3.23 2.81 0.39 -1.13 117.12 119.13 1yaj n MET 145 Ca -0.03 -0.03 -0.10 0.00 -1.81 0.00 0.00 57.70 55.72 1yaj n MET 145 Cb 0.35 -1.27 -0.07 0.00 -0.71 0.00 0.00 33.22 31.53 1yaj n MET 145 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1yaj s VAL 146 N -2.41 0.00 0.00 2.03 -7.23 -0.65 -4.36 120.40 107.79 1yaj s VAL 146 Ca -0.05 -1.58 0.00 0.00 -1.81 0.00 0.00 61.98 58.54 1yaj s VAL 146 Cb 0.04 -2.30 0.00 0.00 0.56 0.00 0.00 36.38 34.69 1yaj s VAL 146 CO 0.45 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.85 1yaj n GLY 147 N -0.35 3.00 3.58 2.32 0.00 -1.26 -4.01 105.19 108.47 1yaj n GLY 147 Ca -0.00 -1.82 -0.11 0.00 0.00 0.00 0.00 46.02 44.08 1yaj n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yaj s ALA 148 N -1.96 -1.92 0.07 4.61 0.00 -1.26 -4.57 121.76 116.73 1yaj s ALA 148 Ca 0.00 1.59 -0.14 0.00 0.00 0.00 0.00 51.96 53.40 1yaj s ALA 148 Cb 0.00 -0.70 -0.23 0.00 0.00 0.00 0.00 23.12 22.19 1yaj s ALA 148 CO 0.00 -0.31 1.20 0.00 0.00 0.00 0.00 175.76 176.65 1yaj h ALA 149 N 2.75 0.14 0.00 0.00 0.00 -1.91 -3.21 119.26 117.03 1yaj h ALA 149 Ca -0.20 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.03 1yaj h ALA 149 Cb 1.16 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1yaj h ALA 149 CO 0.30 0.67 0.00 0.43 0.00 0.00 0.00 179.25 180.65 1yaj n SER 150 N -3.88 0.00 0.08 0.00 7.64 -1.26 -1.22 113.62 114.98 1yaj n SER 150 Ca -0.11 0.34 -0.09 0.00 1.01 0.00 0.00 58.87 60.02 1yaj n SER 150 Cb 0.86 -0.34 -0.07 0.00 -1.01 0.00 0.00 64.21 63.65 1yaj n SER 150 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1yaj h THR 151 N 0.00 1.59 -3.76 0.44 2.02 -1.94 -3.43 112.91 107.83 1yaj h THR 151 Ca 0.00 -3.02 -0.64 0.00 0.77 0.00 0.00 66.41 63.53 1yaj h THR 151 Cb 0.01 2.70 -0.18 0.00 -1.74 0.00 0.00 68.15 68.94 1yaj h THR 151 CO 0.00 0.87 -0.54 -0.31 0.37 0.00 0.00 175.52 175.91 1yaj s TYR 152 N -2.91 3.21 -0.24 3.16 1.51 -0.36 -3.85 117.35 117.87 1yaj s TYR 152 Ca -0.01 0.02 -0.10 0.00 -1.01 0.00 0.00 57.07 55.97 1yaj s TYR 152 Cb 0.10 -2.31 -0.05 0.00 -0.11 0.00 0.00 41.96 39.58 1yaj s TYR 152 CO 0.83 -0.15 0.15 0.34 -1.11 0.00 0.00 175.55 175.61 1yaj s ASP 153 N 1.53 6.00 0.00 2.29 3.68 -1.26 -4.97 116.67 123.95 1yaj s ASP 153 Ca 0.07 0.09 0.26 0.00 2.13 0.00 0.00 52.55 55.09 1yaj s ASP 153 Cb -0.15 -2.08 0.70 0.00 -1.45 0.00 0.00 42.92 39.93 1yaj s ASP 153 CO 0.08 0.07 1.53 0.61 0.13 0.00 0.00 175.17 177.59 1yaj n GLY 154 N 4.26 -0.82 0.19 2.66 0.00 -1.26 -4.54 105.19 105.68 1yaj n GLY 154 Ca -0.15 -0.38 -0.05 0.00 0.00 0.00 0.00 46.02 45.44 1yaj n GLY 154 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1yaj n LEU 155 N -0.93 -0.47 0.00 0.99 7.94 -1.26 0.32 117.00 123.59 1yaj n LEU 155 Ca 0.10 1.23 0.00 0.00 -1.11 0.00 0.00 56.01 56.23 1yaj n LEU 155 Cb 0.34 -0.32 0.00 0.00 0.53 0.00 0.00 43.42 43.97 1yaj n LEU 155 CO 0.29 -0.86 0.35 0.00 -1.11 0.00 0.00 177.39 176.05 1yaj n ALA 156 N -3.11 -0.09 -0.32 1.96 0.00 -1.26 -0.49 120.51 117.20 1yaj n ALA 156 Ca 0.01 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.57 1yaj n ALA 156 Cb 0.12 0.20 0.24 0.00 0.00 0.00 0.00 19.45 20.00 1yaj n ALA 156 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1yaj n LEU 157 N -1.50 -0.15 0.27 0.00 7.94 -1.00 -0.31 117.00 122.24 1yaj n LEU 157 Ca 0.00 1.54 -0.16 0.00 -1.11 0.00 0.00 56.01 56.29 1yaj n LEU 157 Cb 0.00 -0.54 -0.08 0.00 0.53 0.00 0.00 43.42 43.32 1yaj n LEU 157 CO 0.00 -1.55 0.68 0.00 -1.11 0.00 0.00 177.39 175.41 1yaj h ALA 158 N 1.81 -0.64 0.49 1.96 0.00 0.29 0.46 119.26 123.63 1yaj h ALA 158 Ca 0.53 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.26 1yaj h ALA 158 Cb 1.04 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1yaj h ALA 158 CO -0.87 -0.83 -0.24 0.00 0.00 0.00 0.00 179.25 177.32 1yaj h ALA 159 N -0.20 -0.66 -0.58 0.00 0.00 0.11 -0.43 119.26 117.50 1yaj h ALA 159 Ca -0.07 -0.17 0.12 0.00 0.00 0.00 0.00 54.91 54.79 1yaj h ALA 159 Cb 0.52 0.26 -0.10 0.00 0.00 0.00 0.00 17.79 18.46 1yaj h ALA 159 CO 0.11 -0.81 -0.07 0.45 0.00 0.00 0.00 179.25 178.93 1yaj h HIS 160 N -0.79 -0.18 -0.02 0.00 -0.00 -0.65 -2.87 115.15 110.65 1yaj h HIS 160 Ca -0.07 0.05 0.00 0.00 -0.00 0.00 0.00 60.37 60.35 1yaj h HIS 160 Cb 0.56 0.17 0.00 0.00 -0.00 0.00 0.00 27.41 28.14 1yaj h HIS 160 CO -0.01 -0.20 -0.13 0.39 -0.00 0.00 0.00 177.93 177.97 1yaj n GLU 161 N -5.34 1.95 -3.37 2.45 -0.58 0.15 -4.99 120.64 110.91 1yaj n GLU 161 Ca 0.07 -1.58 -0.17 0.00 -0.42 0.00 0.00 57.16 55.06 1yaj n GLU 161 Cb 0.32 -1.47 0.07 0.00 -0.57 0.00 0.00 31.44 29.79 1yaj n GLU 161 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1yaj n ASN 162 N 0.85 -4.46 -4.08 1.62 4.05 -0.19 -5.01 115.26 108.05 1yaj n ASN 162 Ca 0.13 -0.70 -0.12 0.00 0.45 0.00 0.00 54.58 54.34 1yaj n ASN 162 Cb 0.54 -5.00 -0.11 0.00 1.23 0.00 0.00 39.78 36.44 1yaj n ASN 162 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 177.26 174.89 1yaj s VAL 163 N -3.40 0.50 -0.28 3.44 -7.23 -1.13 -4.66 120.40 107.64 1yaj s VAL 163 Ca 0.26 -1.30 -0.25 0.00 -1.81 0.00 0.00 61.98 58.87 1yaj s VAL 163 Cb -0.04 -0.87 0.00 0.00 0.56 0.00 0.00 36.38 36.03 1yaj s VAL 163 CO 0.75 -0.55 0.88 -0.69 -0.31 0.00 0.00 175.10 175.18 1yaj s VAL 164 N -2.08 4.75 -0.21 1.32 1.01 -0.70 -4.34 120.40 120.15 1yaj s VAL 164 Ca -0.05 1.50 -0.10 0.00 0.00 0.00 0.00 61.98 63.33 1yaj s VAL 164 Cb -0.05 -4.20 -0.05 0.00 0.00 0.00 0.00 36.38 32.08 1yaj s VAL 164 CO -0.02 -0.22 0.13 -0.69 0.00 0.00 0.00 175.10 174.30 1yaj s VAL 165 N 3.07 5.38 -0.12 2.92 1.01 0.76 -1.32 120.40 132.10 1yaj s VAL 165 Ca 0.37 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.53 1yaj s VAL 165 Cb -0.14 -3.46 0.02 0.00 0.00 0.00 0.00 36.38 32.80 1yaj s VAL 165 CO 0.11 0.43 -0.11 -0.69 0.00 0.00 0.00 175.10 174.84 1yaj s VAL 166 N 0.46 1.23 -0.25 2.92 1.01 -0.61 0.23 120.40 125.39 1yaj s VAL 166 Ca 0.08 -0.43 -0.04 0.00 0.00 0.00 0.00 61.98 61.58 1yaj s VAL 166 Cb -0.11 -1.19 0.01 0.00 0.00 0.00 0.00 36.38 35.08 1yaj s VAL 166 CO -0.01 0.40 -0.02 0.42 0.00 0.00 0.00 175.10 175.89 1yaj s THR 167 N 1.48 3.37 0.43 3.92 -4.23 -0.59 0.14 115.64 120.17 1yaj s THR 167 Ca 0.02 -0.72 0.08 0.00 -1.18 0.00 0.00 61.69 59.89 1yaj s THR 167 Cb -0.13 -2.65 -0.00 0.00 1.34 0.00 0.00 72.50 71.06 1yaj s THR 167 CO -0.07 0.25 0.48 0.27 -0.54 0.00 0.00 174.62 175.01 1yaj s ILE 168 N 1.43 2.72 0.09 2.99 -5.25 -1.12 -0.80 121.20 121.27 1yaj s ILE 168 Ca 0.03 -1.19 0.07 0.00 -0.99 0.00 0.00 60.65 58.56 1yaj s ILE 168 Cb -0.16 -2.92 -0.03 0.00 2.95 0.00 0.00 42.46 42.30 1yaj s ILE 168 CO -0.02 0.00 -0.17 -1.10 -1.79 0.00 0.00 174.94 171.86 1yaj s GLN 169 N -4.25 0.99 0.04 0.37 -0.21 -1.07 -4.42 119.66 111.10 1yaj s GLN 169 Ca 0.51 -1.09 -0.04 0.00 0.02 0.00 0.00 55.36 54.76 1yaj s GLN 169 Cb -0.06 -1.09 -0.02 0.00 1.00 0.00 0.00 33.01 32.84 1yaj s GLN 169 CO 0.30 0.24 0.06 1.52 -2.12 0.00 0.00 175.29 175.29 1yaj s TYR 170 N -1.36 0.28 0.30 0.91 1.13 -1.26 -4.59 117.35 112.75 1yaj s TYR 170 Ca 0.03 -0.64 -0.28 0.00 -1.41 0.00 0.00 57.07 54.78 1yaj s TYR 170 Cb -0.09 -0.20 -0.14 0.00 -1.10 0.00 0.00 41.96 40.43 1yaj s TYR 170 CO 0.03 -0.36 1.06 0.54 -2.51 0.00 0.00 175.55 174.32 1yaj n ARG 171 N 0.68 1.48 -4.49 -3.49 1.74 -1.26 -4.84 116.66 106.48 1yaj n ARG 171 Ca -0.18 0.52 -0.24 0.00 -0.77 0.00 0.00 57.85 57.18 1yaj n ARG 171 Cb 0.59 -1.93 -0.10 0.00 -1.02 0.00 0.00 32.46 30.00 1yaj n ARG 171 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1yaj s LEU 172 N 0.20 2.62 0.00 0.55 1.43 -1.26 -4.31 118.68 117.91 1yaj s LEU 172 Ca 0.58 -1.19 0.00 0.00 -1.03 0.00 0.00 54.13 52.49 1yaj s LEU 172 Cb -0.68 -0.85 0.00 0.00 0.03 0.00 0.00 46.19 44.69 1yaj s LEU 172 CO 0.60 -0.25 0.00 0.61 0.23 0.00 0.00 176.35 177.54 1yaj n GLY 173 N -0.69 0.98 0.32 -3.19 0.00 -0.29 -1.79 105.19 100.52 1yaj n GLY 173 Ca -0.05 -0.58 0.11 0.00 0.00 0.00 0.00 46.02 45.49 1yaj n GLY 173 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1yaj h ILE 174 N 0.00 0.17 -0.07 -0.61 2.04 -1.91 0.45 117.51 117.57 1yaj h ILE 174 Ca 0.00 -0.02 0.02 0.00 1.00 0.00 0.00 64.86 65.86 1yaj h ILE 174 Cb 0.00 0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 36.17 1yaj h ILE 174 CO 0.00 0.01 0.08 -0.50 0.00 0.00 0.00 178.15 177.74 1yaj h TRP 175 N 0.07 0.00 0.00 1.37 6.55 -1.82 -2.74 115.95 119.38 1yaj h TRP 175 Ca 0.52 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.36 1yaj h TRP 175 Cb 1.01 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.31 1yaj h TRP 175 CO -0.46 0.00 -0.52 0.41 -1.05 0.00 0.00 178.44 176.82 1yaj n GLY 176 N -1.37 0.31 0.29 1.49 0.00 0.13 -4.58 105.19 101.46 1yaj n GLY 176 Ca -0.01 -0.14 0.01 0.00 0.00 0.00 0.00 46.02 45.88 1yaj n GLY 176 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1yaj n PHE 177 N -1.28 0.00 -2.02 1.61 3.72 0.07 0.18 117.46 119.73 1yaj n PHE 177 Ca 0.00 -0.10 -0.43 0.00 -0.05 0.00 0.00 57.45 56.88 1yaj n PHE 177 Cb 0.09 -0.04 -0.03 0.00 -0.94 0.00 0.00 39.48 38.57 1yaj n PHE 177 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 176.76 176.83 1yaj s PHE 178 N -0.26 1.91 -0.04 1.38 2.19 -1.04 -4.60 117.98 117.53 1yaj s PHE 178 Ca 0.02 0.51 0.07 0.00 0.33 0.00 0.00 56.93 57.86 1yaj s PHE 178 Cb 0.02 -4.04 -0.01 0.00 -1.31 0.00 0.00 43.02 37.68 1yaj s PHE 178 CO 0.00 -3.16 -0.24 0.45 1.83 0.00 0.00 175.22 174.10 1yaj s SER 179 N 5.04 2.88 0.09 6.13 0.15 -1.26 -4.29 113.70 122.44 1yaj s SER 179 Ca 0.77 -0.46 0.23 0.00 0.70 0.00 0.00 55.95 57.18 1yaj s SER 179 Cb -0.26 -0.56 0.00 0.00 -1.71 0.00 0.00 66.02 63.50 1yaj s SER 179 CO 0.32 0.26 0.98 0.35 1.20 0.00 0.00 173.24 176.35 1yaj n THR 180 N 2.73 0.28 0.00 6.45 -2.24 -0.71 -4.42 114.28 116.37 1yaj n THR 180 Ca -0.17 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.25 1yaj n THR 180 Cb 0.52 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 1yaj n THR 180 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1yaj n GLY 181 N 1.30 0.53 0.00 3.38 0.00 -1.26 -4.00 105.19 105.14 1yaj n GLY 181 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1yaj n GLY 181 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1yaj n ASP 182 N 0.00 0.00 0.00 1.61 3.85 -1.26 -4.96 116.55 115.78 1yaj n ASP 182 Ca 0.00 -0.30 0.09 0.00 -0.71 0.00 0.00 54.79 53.87 1yaj n ASP 182 Cb 0.00 0.00 0.45 0.00 -1.35 0.00 0.00 41.12 40.22 1yaj n ASP 182 CO 0.00 0.00 0.00 -1.84 -1.01 0.00 0.00 177.20 174.35 1yaj n GLU 183 N 0.00 0.22 0.07 0.11 0.00 -1.26 -1.28 120.64 118.50 1yaj n GLU 183 Ca 0.00 0.13 0.13 0.00 0.00 0.00 0.00 57.16 57.41 1yaj n GLU 183 Cb 0.00 -1.50 0.38 0.00 0.00 0.00 0.00 31.44 30.32 1yaj n GLU 183 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1yaj n HIS 184 N -1.32 0.65 -2.66 -1.84 8.25 -1.26 -4.53 115.22 112.51 1yaj n HIS 184 Ca 0.08 0.19 -0.04 0.00 -0.26 0.00 0.00 57.72 57.69 1yaj n HIS 184 Cb 0.16 -0.77 0.09 0.00 1.12 0.00 0.00 29.99 30.59 1yaj n HIS 184 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1yaj n SER 185 N -2.07 -1.25 -0.26 0.41 2.88 -1.13 -4.88 113.62 107.33 1yaj n SER 185 Ca 0.05 -1.79 -0.02 0.00 -1.33 0.00 0.00 58.87 55.78 1yaj n SER 185 Cb 0.41 0.87 0.04 0.00 -0.75 0.00 0.00 64.21 64.79 1yaj n SER 185 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1yaj h ARG 186 N 2.75 -0.08 0.00 -1.46 3.08 -1.42 -1.89 114.38 115.36 1yaj h ARG 186 Ca -0.27 0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.79 1yaj h ARG 186 Cb 1.21 0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.28 1yaj h ARG 186 CO -0.12 -0.05 0.00 0.41 -1.07 0.00 0.00 179.97 179.14 1yaj n GLY 187 N -1.47 0.50 1.98 0.04 0.00 -1.26 -4.50 105.19 100.48 1yaj n GLY 187 Ca 0.07 -2.17 -0.11 0.00 0.00 0.00 0.00 46.02 43.81 1yaj n GLY 187 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1yaj n ASN 188 N 0.00 -3.14 -0.31 1.61 3.02 -1.26 -4.77 115.26 110.41 1yaj n ASN 188 Ca 0.00 0.27 0.15 0.00 -0.03 0.00 0.00 54.58 54.97 1yaj n ASN 188 Cb 0.00 -2.94 0.33 0.00 -0.61 0.00 0.00 39.78 36.56 1yaj n ASN 188 CO 0.00 0.00 0.00 -0.50 -2.62 0.00 0.00 177.26 174.14 1yaj h TRP 189 N 0.00 0.60 0.74 3.10 -0.00 -1.37 0.14 115.95 119.16 1yaj h TRP 189 Ca -0.24 0.04 -0.04 0.00 -0.00 0.00 0.00 58.89 58.66 1yaj h TRP 189 Cb 0.83 -0.12 0.01 0.00 -0.00 0.00 0.00 29.16 29.88 1yaj h TRP 189 CO 0.39 -0.12 -0.35 0.78 -0.00 0.00 0.00 178.44 179.13 1yaj h GLY 190 N 0.33 -1.04 0.52 1.49 0.00 -0.48 -1.76 103.07 102.14 1yaj h GLY 190 Ca 0.59 0.38 0.15 0.00 0.00 0.00 0.00 47.33 48.45 1yaj h GLY 190 CO -0.58 -0.38 0.56 0.45 0.00 0.00 0.00 176.54 176.59 1yaj h HIS 191 N -1.02 0.73 -0.72 5.60 3.86 -1.53 0.32 115.15 122.38 1yaj h HIS 191 Ca -0.10 0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.07 1yaj h HIS 191 Cb 0.77 -0.23 -0.03 0.00 1.06 0.00 0.00 27.41 28.98 1yaj h HIS 191 CO -0.02 0.26 0.21 -0.07 0.86 0.00 0.00 177.93 179.17 1yaj h LEU 192 N 0.61 1.06 -1.30 2.43 3.38 -0.38 -1.00 115.31 120.10 1yaj h LEU 192 Ca 0.44 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 58.14 1yaj h LEU 192 Cb 0.80 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1yaj h LEU 192 CO -0.19 0.99 -0.15 0.44 0.09 0.00 0.00 178.44 179.62 1yaj h ASP 193 N 1.08 0.28 0.38 -0.43 3.32 0.47 0.16 116.42 121.67 1yaj h ASP 193 Ca 0.23 -0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.20 1yaj h ASP 193 Cb 0.32 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1yaj h ASP 193 CO -0.00 0.46 -0.18 1.56 -1.72 0.00 0.00 179.24 179.35 1yaj h GLN 194 N 0.27 -0.50 -0.79 3.56 4.20 -0.45 0.55 115.11 121.96 1yaj h GLN 194 Ca 0.05 0.03 0.14 0.00 0.06 0.00 0.00 58.65 58.93 1yaj h GLN 194 Cb 0.44 0.11 -0.09 0.00 0.30 0.00 0.00 27.48 28.24 1yaj h GLN 194 CO 0.03 -0.21 0.37 0.28 -0.67 0.00 0.00 178.83 178.63 1yaj h VAL 195 N -0.75 0.72 -0.64 -0.54 2.07 -0.76 0.83 116.25 117.18 1yaj h VAL 195 Ca -0.05 -0.19 0.11 0.00 0.82 0.00 0.00 66.70 67.39 1yaj h VAL 195 Cb 0.51 0.12 -0.08 0.00 -1.52 0.00 0.00 31.29 30.33 1yaj h VAL 195 CO 0.09 0.10 0.22 0.00 0.02 0.00 0.00 177.57 178.00 1yaj h ALA 196 N 1.53 0.83 -0.98 1.67 0.00 0.27 0.20 119.26 122.78 1yaj h ALA 196 Ca 0.42 0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.44 1yaj h ALA 196 Cb 0.59 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.42 1yaj h ALA 196 CO -0.36 -0.22 0.64 0.00 0.00 0.00 0.00 179.25 179.31 1yaj h ALA 197 N 1.46 1.29 -0.16 0.00 0.00 0.24 -1.46 119.26 120.63 1yaj h ALA 197 Ca 0.33 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1yaj h ALA 197 Cb 0.45 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1yaj h ALA 197 CO -0.35 0.65 0.06 -0.07 0.00 0.00 0.00 179.25 179.54 1yaj h LEU 198 N 1.33 0.23 -1.71 0.00 3.38 0.63 -1.40 115.31 117.76 1yaj h LEU 198 Ca 0.36 -0.19 0.08 0.00 0.09 0.00 0.00 57.88 58.22 1yaj h LEU 198 Cb -0.14 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 1yaj h LEU 198 CO -0.08 0.36 0.35 0.03 0.09 0.00 0.00 178.44 179.19 1yaj h ARG 199 N 0.10 0.33 0.46 1.13 3.08 -0.26 -1.18 114.38 118.04 1yaj h ARG 199 Ca 0.05 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.06 1yaj h ARG 199 Cb 0.20 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.18 1yaj h ARG 199 CO -0.00 0.22 -0.22 2.35 -1.07 0.00 0.00 179.97 181.24 1yaj h TRP 200 N 0.34 -0.58 -0.87 3.04 7.01 -0.55 -2.57 115.95 121.77 1yaj h TRP 200 Ca 0.23 -0.01 0.24 0.00 2.11 0.00 0.00 58.89 61.46 1yaj h TRP 200 Cb 0.48 0.19 -0.04 0.00 -2.10 0.00 0.00 29.16 27.69 1yaj h TRP 200 CO -0.00 -0.27 0.62 0.28 -2.79 0.00 0.00 178.44 176.27 1yaj h VAL 201 N -0.83 0.58 -0.32 2.65 2.07 -0.46 -0.80 116.25 119.13 1yaj h VAL 201 Ca -0.06 -0.02 -0.10 0.00 0.82 0.00 0.00 66.70 67.34 1yaj h VAL 201 Cb 0.57 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 1yaj h VAL 201 CO 0.10 0.01 -0.20 1.56 0.02 0.00 0.00 177.57 179.07 1yaj h GLN 202 N 0.06 0.60 -0.38 1.57 1.08 -0.84 -0.28 115.11 116.94 1yaj h GLN 202 Ca 0.42 -0.22 0.00 0.00 -1.45 0.00 0.00 58.65 57.40 1yaj h GLN 202 Cb 1.58 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 28.96 1yaj h GLN 202 CO -0.03 0.76 0.00 -0.25 -0.95 0.00 0.00 178.83 178.36 1yaj n ASP 203 N -4.14 3.50 0.00 1.46 8.00 -0.42 -4.71 116.55 120.23 1yaj n ASP 203 Ca 0.00 -2.36 0.00 0.00 0.71 0.00 0.00 54.79 53.14 1yaj n ASP 203 Cb 0.39 -0.38 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 1yaj n ASP 203 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1yaj n ASN 204 N 0.33 0.00 0.27 -2.24 3.02 -0.52 -4.59 115.26 111.53 1yaj n ASN 204 Ca 0.17 0.00 0.06 0.00 -0.03 0.00 0.00 54.58 54.78 1yaj n ASN 204 Cb 0.63 0.00 0.32 0.00 -0.61 0.00 0.00 39.78 40.13 1yaj n ASN 204 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1yaj h ILE 205 N 0.00 0.00 0.00 2.41 6.09 -1.20 0.24 117.51 125.05 1yaj h ILE 205 Ca 0.00 0.00 -0.07 0.00 -1.37 0.00 0.00 64.86 63.42 1yaj h ILE 205 Cb 0.00 0.26 -0.01 0.00 0.47 0.00 0.00 36.82 37.54 1yaj h ILE 205 CO 0.00 0.00 -0.34 0.00 -3.07 0.00 0.00 178.15 174.74 1yaj h ALA 206 N 0.66 1.25 0.00 0.18 0.00 -1.76 -1.73 119.26 117.85 1yaj h ALA 206 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1yaj h ALA 206 Cb 1.21 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1yaj h ALA 206 CO 0.00 0.43 0.00 0.43 0.00 0.00 0.00 179.25 180.11 1yaj n SER 207 N -3.86 0.00 -0.65 0.00 7.64 0.86 -2.74 113.62 114.87 1yaj n SER 207 Ca -0.01 -0.37 0.07 0.00 1.01 0.00 0.00 58.87 59.56 1yaj n SER 207 Cb 0.41 -0.21 0.12 0.00 -1.01 0.00 0.00 64.21 63.53 1yaj n SER 207 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1yaj n PHE 208 N -1.21 0.30 -0.32 1.43 3.01 -1.05 -4.74 117.46 114.88 1yaj n PHE 208 Ca 0.17 -0.27 0.00 0.00 1.01 0.00 0.00 57.45 58.36 1yaj n PHE 208 Cb 0.21 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.66 1yaj n PHE 208 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1yaj n GLY 209 N 0.71 0.84 3.89 1.37 0.00 -1.11 -4.79 105.19 106.11 1yaj n GLY 209 Ca 0.11 -0.03 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 1yaj n GLY 209 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1yaj s GLY 210 N -2.03 2.21 -0.53 -0.02 0.00 -0.68 0.83 107.32 107.10 1yaj s GLY 210 Ca 0.00 -0.66 -0.28 0.00 0.00 0.00 0.00 44.72 43.78 1yaj s GLY 210 CO 0.00 -0.50 1.14 0.21 0.00 0.00 0.00 173.10 173.95 1yaj s ASN 211 N -1.75 6.53 0.00 1.64 3.84 0.93 -3.59 114.94 122.54 1yaj s ASN 211 Ca 0.26 0.25 0.00 0.00 0.21 0.00 0.00 52.86 53.58 1yaj s ASN 211 Cb -0.13 -2.54 0.00 0.00 -0.55 0.00 0.00 41.25 38.03 1yaj s ASN 211 CO 0.16 -1.34 0.97 -0.81 -2.79 0.00 0.00 177.10 173.29 1yaj n PRO 212 N 8.05 0.00 -0.69 0.43 -0.04 -1.26 -1.42 135.00 140.07 1yaj n PRO 212 Ca 0.10 0.47 0.00 0.00 -0.04 0.00 0.00 63.50 64.03 1yaj n PRO 212 Cb 0.49 -1.53 0.24 0.00 -0.04 0.00 0.00 33.50 32.66 1yaj n PRO 212 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1yaj n GLY 213 N -1.47 4.35 2.77 0.55 0.00 -1.26 -4.47 105.19 105.67 1yaj n GLY 213 Ca 0.00 -1.11 -0.02 0.00 0.00 0.00 0.00 46.02 44.89 1yaj n GLY 213 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1yaj n SER 214 N -0.74 0.78 -4.70 1.61 2.88 -0.51 -4.93 113.62 108.01 1yaj n SER 214 Ca 0.30 -2.17 -0.41 0.00 -1.33 0.00 0.00 58.87 55.26 1yaj n SER 214 Cb 1.05 -0.18 -0.04 0.00 -0.75 0.00 0.00 64.21 64.29 1yaj n SER 214 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1yaj s VAL 215 N -2.74 4.92 -0.22 2.46 1.01 -1.26 -1.82 120.40 122.75 1yaj s VAL 215 Ca 0.23 1.79 0.02 0.00 0.00 0.00 0.00 61.98 64.02 1yaj s VAL 215 Cb 0.37 -4.20 0.05 0.00 0.00 0.00 0.00 36.38 32.59 1yaj s VAL 215 CO -0.05 0.16 -0.12 -0.89 0.00 0.00 0.00 175.10 174.20 1yaj s THR 216 N 1.18 1.91 0.18 3.92 2.01 0.18 -0.39 115.64 124.62 1yaj s THR 216 Ca 0.45 -1.26 -0.09 0.00 0.31 0.00 0.00 61.69 61.10 1yaj s THR 216 Cb -0.19 -1.97 -0.07 0.00 0.01 0.00 0.00 72.50 70.29 1yaj s THR 216 CO 0.22 0.13 0.49 0.27 -0.69 0.00 0.00 174.62 175.04 1yaj s ILE 217 N 1.26 5.00 -0.16 1.82 -4.36 -0.83 -1.27 121.20 122.66 1yaj s ILE 217 Ca -0.04 0.39 -0.27 0.00 -0.26 0.00 0.00 60.65 60.47 1yaj s ILE 217 Cb -0.17 -3.63 0.07 0.00 1.25 0.00 0.00 42.46 39.97 1yaj s ILE 217 CO -0.08 0.02 0.68 0.72 0.24 0.00 0.00 174.94 176.52 1yaj s PHE 218 N -1.70 -0.70 0.37 1.37 -0.71 -0.72 -1.36 117.98 114.53 1yaj s PHE 218 Ca 0.43 1.49 -0.06 0.00 -1.04 0.00 0.00 56.93 57.75 1yaj s PHE 218 Cb -0.12 0.32 0.02 0.00 -1.21 0.00 0.00 43.02 42.04 1yaj s PHE 218 CO 0.22 -0.48 0.59 0.20 -1.34 0.00 0.00 175.22 174.41 1yaj s GLY 219 N -0.39 1.20 0.03 1.99 0.00 -0.79 -1.79 107.32 107.58 1yaj s GLY 219 Ca -0.05 -1.32 0.02 0.00 0.00 0.00 0.00 44.72 43.37 1yaj s GLY 219 CO 0.05 -0.79 -0.08 1.85 0.00 0.00 0.00 173.10 174.13 1yaj s GLU 220 N -2.66 0.56 3.24 2.90 -6.30 -1.23 -1.26 118.70 113.95 1yaj s GLU 220 Ca 0.26 -0.63 0.00 0.00 -2.50 0.00 0.00 54.97 52.10 1yaj s GLU 220 Cb -0.02 -0.41 0.00 0.00 0.00 0.00 0.00 34.13 33.70 1yaj s GLU 220 CO 0.19 0.09 0.00 0.45 0.02 0.00 0.00 175.26 176.00 1yaj n SER 221 N 1.86 0.00 -0.32 -1.70 2.88 0.18 0.92 113.62 117.45 1yaj n SER 221 Ca -0.20 0.00 0.33 0.00 -1.33 0.00 0.00 58.87 57.68 1yaj n SER 221 Cb 0.55 0.00 0.72 0.00 -0.75 0.00 0.00 64.21 64.73 1yaj n SER 221 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1yaj h ALA 222 N -0.41 3.00 -0.01 -1.46 0.00 -1.87 1.37 119.26 119.89 1yaj h ALA 222 Ca 0.00 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.69 1yaj h ALA 222 Cb 0.00 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1yaj h ALA 222 CO 0.00 -1.34 -0.84 0.78 0.00 0.00 0.00 179.25 177.85 1yaj h GLY 223 N 0.05 0.27 2.00 0.00 0.00 0.56 -1.88 103.07 104.06 1yaj h GLY 223 Ca 0.56 -0.44 -0.03 0.00 0.00 0.00 0.00 47.33 47.42 1yaj h GLY 223 CO -0.05 0.39 -0.15 -1.33 0.00 0.00 0.00 176.54 175.41 1yaj h GLY 224 N 1.69 0.00 0.85 4.60 0.00 0.22 -2.01 103.07 108.42 1yaj h GLY 224 Ca -0.04 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.11 1yaj h GLY 224 CO 0.13 0.00 -0.72 -2.09 0.00 0.00 0.00 176.54 173.86 1yaj h GLU 225 N 0.00 0.45 0.09 4.80 4.22 -0.37 -2.66 114.58 121.10 1yaj h GLU 225 Ca -0.00 -0.51 0.02 0.00 0.08 0.00 0.00 59.36 58.94 1yaj h GLU 225 Cb 0.46 0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.83 1yaj h GLU 225 CO 0.02 1.16 -0.20 0.77 -2.18 0.00 0.00 179.01 178.59 1yaj h SER 226 N -0.05 -0.55 -0.41 1.04 0.02 -1.05 0.46 113.55 113.01 1yaj h SER 226 Ca -0.10 0.07 0.09 0.00 -0.84 0.00 0.00 61.79 61.01 1yaj h SER 226 Cb 1.44 0.21 -0.09 0.00 0.14 0.00 0.00 62.40 64.10 1yaj h SER 226 CO 0.14 -0.27 -0.21 0.58 -1.14 0.00 0.00 176.83 175.93 1yaj h VAL 227 N -0.36 0.39 -0.83 2.27 2.07 -1.45 0.32 116.25 118.66 1yaj h VAL 227 Ca 0.03 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.66 1yaj h VAL 227 Cb 0.39 0.39 -0.08 0.00 -1.52 0.00 0.00 31.29 30.48 1yaj h VAL 227 CO -0.12 0.00 0.47 -1.28 0.02 0.00 0.00 177.57 176.65 1yaj h SER 228 N -0.14 0.65 -0.66 0.57 0.87 -1.01 -1.59 113.55 112.24 1yaj h SER 228 Ca 0.20 0.06 -0.06 0.00 -1.23 0.00 0.00 61.79 60.75 1yaj h SER 228 Cb 0.44 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 62.31 1yaj h SER 228 CO -0.49 0.36 0.17 0.58 -0.53 0.00 0.00 176.83 176.92 1yaj h VAL 229 N 0.76 1.25 0.00 2.23 2.07 0.17 -1.99 116.25 120.74 1yaj h VAL 229 Ca 0.41 -0.93 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 1yaj h VAL 229 Cb 0.42 0.55 -0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1yaj h VAL 229 CO -0.27 0.36 -0.03 -0.07 0.02 0.00 0.00 177.57 177.58 1yaj h LEU 230 N 1.01 0.00 0.00 2.57 3.38 0.32 0.89 115.31 123.49 1yaj h LEU 230 Ca 0.21 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.99 1yaj h LEU 230 Cb 0.34 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 1yaj h LEU 230 CO -0.00 0.03 -1.01 0.58 0.09 0.00 0.00 178.44 178.13 1yaj h VAL 231 N 0.00 1.26 0.00 1.22 2.07 -0.88 -3.27 116.25 116.65 1yaj h VAL 231 Ca -0.00 -2.87 0.00 0.00 0.82 0.00 0.00 66.70 64.64 1yaj h VAL 231 Cb 0.31 2.60 0.00 0.00 -1.52 0.00 0.00 31.29 32.68 1yaj h VAL 231 CO 0.00 0.72 -0.87 0.18 0.02 0.00 0.00 177.57 177.61 1yaj n LEU 232 N -3.23 0.64 -4.75 2.57 4.77 -0.61 -4.90 117.00 111.48 1yaj n LEU 232 Ca -0.03 -0.06 -0.39 0.00 -0.03 0.00 0.00 56.01 55.51 1yaj n LEU 232 Cb 0.89 -0.13 -0.06 0.00 -2.33 0.00 0.00 43.42 41.80 1yaj n LEU 232 CO 0.45 0.08 0.28 -0.55 -1.33 0.00 0.00 177.39 176.32 1yaj s SER 233 N -3.62 6.92 0.49 -1.43 0.15 0.21 -4.84 113.70 111.58 1yaj s SER 233 Ca 0.06 1.10 0.24 0.00 0.70 0.00 0.00 55.95 58.05 1yaj s SER 233 Cb 0.15 -2.36 1.26 0.00 -1.71 0.00 0.00 66.02 63.36 1yaj s SER 233 CO 0.78 0.05 2.00 -0.65 1.20 0.00 0.00 173.24 176.63 1yaj h PRO 234 N 5.98 0.00 -0.15 5.44 0.11 -1.83 -3.11 132.00 138.44 1yaj h PRO 234 Ca -0.44 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.66 1yaj h PRO 234 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1yaj h PRO 234 CO 0.71 0.17 0.05 -0.07 -0.21 0.00 0.00 178.00 178.65 1yaj h LEU 235 N 0.00 0.21 0.00 2.35 3.38 -1.80 -2.83 115.31 116.62 1yaj h LEU 235 Ca -0.00 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1yaj h LEU 235 Cb 0.44 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1yaj h LEU 235 CO 0.02 0.35 0.00 0.00 0.09 0.00 0.00 178.44 178.90 1yaj n ALA 236 N -2.24 1.76 -1.63 1.53 0.00 -1.17 -4.83 120.51 113.92 1yaj n ALA 236 Ca -0.05 -0.06 -0.57 0.00 0.00 0.00 0.00 53.44 52.77 1yaj n ALA 236 Cb 0.14 -1.17 -0.07 0.00 0.00 0.00 0.00 19.45 18.35 1yaj n ALA 236 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1yaj n LYS 237 N -1.15 0.81 -2.49 0.00 4.81 -1.07 -0.82 118.16 118.26 1yaj n LYS 237 Ca 0.06 0.30 -0.20 0.00 -0.87 0.00 0.00 58.31 57.60 1yaj n LYS 237 Cb 0.06 -1.91 -0.00 0.00 0.02 0.00 0.00 35.03 33.20 1yaj n LYS 237 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1yaj n ASN 238 N 3.37 -5.61 -0.01 3.14 3.02 -1.26 -4.87 115.26 113.04 1yaj n ASN 238 Ca 0.23 -0.07 0.03 0.00 -0.03 0.00 0.00 54.58 54.73 1yaj n ASN 238 Cb 0.12 -4.61 -0.03 0.00 -0.61 0.00 0.00 39.78 34.66 1yaj n ASN 238 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1yaj n LEU 239 N -2.97 0.33 -3.66 3.41 4.77 -0.00 -5.03 117.00 113.85 1yaj n LEU 239 Ca -0.20 -0.53 -0.12 0.00 -0.03 0.00 0.00 56.01 55.13 1yaj n LEU 239 Cb 0.66 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.69 1yaj n LEU 239 CO 0.30 0.08 0.15 0.72 -1.33 0.00 0.00 177.39 177.31 1yaj s PHE 240 N -1.48 -0.25 0.00 -1.77 -0.71 -1.26 -4.85 117.98 107.66 1yaj s PHE 240 Ca 0.02 0.14 0.00 0.00 -1.04 0.00 0.00 56.93 56.06 1yaj s PHE 240 Cb 0.04 0.22 0.00 0.00 -1.21 0.00 0.00 43.02 42.08 1yaj s PHE 240 CO 0.23 -0.60 0.45 0.72 -1.34 0.00 0.00 175.22 174.67 1yaj n HIS 241 N 0.34 0.00 -3.54 3.49 8.25 0.47 -4.97 115.22 119.26 1yaj n HIS 241 Ca -0.18 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.12 1yaj n HIS 241 Cb 0.61 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.66 1yaj n HIS 241 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1yaj s ARG 242 N -0.07 1.05 0.05 -0.41 0.52 -1.23 -4.13 118.95 114.73 1yaj s ARG 242 Ca 0.00 -0.01 0.00 0.00 -0.52 0.00 0.00 55.73 55.20 1yaj s ARG 242 Cb 0.00 0.49 -0.03 0.00 0.52 0.00 0.00 34.95 35.92 1yaj s ARG 242 CO 0.00 -0.36 -0.04 0.00 0.02 0.00 0.00 175.30 174.92 1yaj s ALA 243 N -1.87 0.51 -0.16 2.13 0.00 -0.75 -1.97 121.76 119.65 1yaj s ALA 243 Ca -0.08 -1.04 -0.05 0.00 0.00 0.00 0.00 51.96 50.79 1yaj s ALA 243 Cb -0.01 0.20 0.08 0.00 0.00 0.00 0.00 23.12 23.39 1yaj s ALA 243 CO 0.03 -0.26 0.32 0.42 0.00 0.00 0.00 175.76 176.28 1yaj s ILE 244 N -2.99 -0.51 -0.33 0.00 1.01 -0.46 -1.88 121.20 116.03 1yaj s ILE 244 Ca 0.01 0.20 -0.05 0.00 0.00 0.00 0.00 60.65 60.81 1yaj s ILE 244 Cb 0.01 -0.56 0.05 0.00 0.01 0.00 0.00 42.46 41.97 1yaj s ILE 244 CO -0.06 0.07 0.08 -0.44 0.00 0.00 0.00 174.94 174.60 1yaj s SER 245 N 2.49 5.19 -0.40 3.58 0.01 0.33 -1.88 113.70 123.02 1yaj s SER 245 Ca 0.01 -1.25 -0.17 0.00 1.31 0.00 0.00 55.95 55.85 1yaj s SER 245 Cb -0.12 -1.82 0.01 0.00 0.21 0.00 0.00 66.02 64.30 1yaj s SER 245 CO -0.11 -0.33 0.42 -1.61 0.41 0.00 0.00 173.24 172.03 1yaj s GLU 246 N 1.34 3.19 -1.33 12.44 2.02 -0.39 -1.14 118.70 134.83 1yaj s GLU 246 Ca -0.02 -0.68 -0.03 0.00 0.02 0.00 0.00 54.97 54.25 1yaj s GLU 246 Cb -0.20 -3.93 0.02 0.00 0.10 0.00 0.00 34.13 30.11 1yaj s GLU 246 CO 0.01 -0.79 0.86 0.43 0.02 0.00 0.00 175.26 175.80 1yaj n SER 247 N 5.56 -2.52 -3.56 -0.19 7.64 0.57 -0.64 113.62 120.48 1yaj n SER 247 Ca -0.08 -0.74 0.03 0.00 1.01 0.00 0.00 58.87 59.09 1yaj n SER 247 Cb 0.48 -4.34 -0.06 0.00 -1.01 0.00 0.00 64.21 59.28 1yaj n SER 247 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1yaj s GLY 248 N -4.07 0.64 0.08 0.23 0.00 -1.26 -2.80 107.32 100.14 1yaj s GLY 248 Ca 0.18 3.89 -0.01 0.00 0.00 0.00 0.00 44.72 48.78 1yaj s GLY 248 CO 0.79 2.91 0.01 -1.34 0.00 0.00 0.00 173.10 175.47 1yaj s VAL 249 N 1.19 0.17 -0.95 1.40 -7.23 -1.26 -3.79 120.40 109.93 1yaj s VAL 249 Ca -0.06 -1.83 0.02 0.00 -1.81 0.00 0.00 61.98 58.29 1yaj s VAL 249 Cb -0.02 -1.73 0.02 0.00 0.56 0.00 0.00 36.38 35.22 1yaj s VAL 249 CO -0.10 -0.78 1.06 0.00 -0.31 0.00 0.00 175.10 174.97 1yaj n ALA 250 N 0.02 1.03 1.00 1.32 0.00 -1.26 -1.39 120.51 121.24 1yaj n ALA 250 Ca -0.11 0.01 0.11 0.00 0.00 0.00 0.00 53.44 53.46 1yaj n ALA 250 Cb 0.62 -1.03 0.14 0.00 0.00 0.00 0.00 19.45 19.18 1yaj n ALA 250 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1yaj n LEU 251 N -1.55 0.67 -4.56 0.00 4.77 -1.26 -4.77 117.00 110.30 1yaj n LEU 251 Ca 0.00 -0.16 -0.16 0.00 -0.03 0.00 0.00 56.01 55.66 1yaj n LEU 251 Cb 0.01 -0.17 -0.07 0.00 -2.33 0.00 0.00 43.42 40.86 1yaj n LEU 251 CO 0.01 0.17 1.22 -0.89 -1.33 0.00 0.00 177.39 176.57 1yaj s THR 252 N -2.99 3.09 0.01 -5.08 2.01 -0.49 -4.83 115.64 107.37 1yaj s THR 252 Ca 0.10 -0.09 -0.01 0.00 0.31 0.00 0.00 61.69 62.00 1yaj s THR 252 Cb 0.17 -3.36 -0.00 0.00 0.01 0.00 0.00 72.50 69.32 1yaj s THR 252 CO 0.75 -0.19 0.72 -1.20 -0.69 0.00 0.00 174.62 174.01 1yaj n SER 253 N 18.07 -0.05 -0.18 3.53 7.64 -1.26 -1.68 113.62 139.69 1yaj n SER 253 Ca 0.45 0.73 0.16 0.00 1.01 0.00 0.00 58.87 61.21 1yaj n SER 253 Cb 0.44 -0.33 0.29 0.00 -1.01 0.00 0.00 64.21 63.60 1yaj n SER 253 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1yaj n VAL 254 N -2.83 -0.23 0.50 0.44 3.14 -1.26 0.13 118.33 118.23 1yaj n VAL 254 Ca 0.00 1.13 0.13 0.00 -2.96 0.00 0.00 64.34 62.64 1yaj n VAL 254 Cb 0.01 -1.80 0.29 0.00 -1.06 0.00 0.00 33.84 31.28 1yaj n VAL 254 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 1yaj h LEU 255 N 0.00 0.00 -8.13 6.55 3.38 -1.68 -3.43 115.31 112.00 1yaj h LEU 255 Ca 0.44 -0.04 -0.67 0.00 0.09 0.00 0.00 57.88 57.70 1yaj h LEU 255 Cb 1.14 0.00 -0.32 0.00 0.09 0.00 0.00 40.66 41.56 1yaj h LEU 255 CO -0.44 0.02 -0.75 -0.69 0.09 0.00 0.00 178.44 176.67 1yaj s VAL 256 N -3.15 2.81 0.43 1.22 1.01 0.35 -1.16 120.40 121.91 1yaj s VAL 256 Ca 0.08 -1.06 -0.22 0.00 0.00 0.00 0.00 61.98 60.79 1yaj s VAL 256 Cb 0.11 -2.43 -0.10 0.00 0.00 0.00 0.00 36.38 33.96 1yaj s VAL 256 CO 0.65 0.20 0.99 -0.54 0.00 0.00 0.00 175.10 176.39 1yaj s LYS 257 N 1.31 4.12 0.05 2.72 -0.14 -0.03 -4.83 119.74 122.94 1yaj s LYS 257 Ca -0.00 1.27 0.02 0.00 -1.36 0.00 0.00 55.97 55.90 1yaj s LYS 257 Cb -0.17 -2.27 -0.03 0.00 -1.68 0.00 0.00 37.83 33.69 1yaj s LYS 257 CO -0.05 -0.14 -0.08 0.15 -0.76 0.00 0.00 175.35 174.47 1yaj s LYS 258 N -2.99 0.56 0.17 1.68 1.02 -1.26 -4.54 119.74 114.38 1yaj s LYS 258 Ca 0.62 -0.79 0.00 0.00 0.02 0.00 0.00 55.97 55.82 1yaj s LYS 258 Cb -0.14 -0.32 0.00 0.00 -0.52 0.00 0.00 37.83 36.85 1yaj s LYS 258 CO 0.18 0.05 0.00 0.41 -0.92 0.00 0.00 175.35 175.08 1yaj n GLY 259 N 1.39 -2.79 3.63 -3.33 0.00 -1.26 -4.79 105.19 98.04 1yaj n GLY 259 Ca -0.22 -1.87 -0.43 0.00 0.00 0.00 0.00 46.02 43.50 1yaj n GLY 259 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1yaj s ASP 260 N -2.26 6.35 0.00 1.61 2.15 -1.26 -4.85 116.67 118.42 1yaj s ASP 260 Ca 0.00 1.63 0.28 0.00 0.43 0.00 0.00 52.55 54.88 1yaj s ASP 260 Cb 0.00 -2.53 0.99 0.00 -0.30 0.00 0.00 42.92 41.08 1yaj s ASP 260 CO 0.00 -1.28 1.71 1.33 -0.17 0.00 0.00 175.17 176.76 1yaj n VAL 261 N 6.44 0.00 -0.27 1.11 0.24 -1.26 -4.22 118.33 120.37 1yaj n VAL 261 Ca 0.19 -0.20 0.02 0.00 -2.04 0.00 0.00 64.34 62.30 1yaj n VAL 261 Cb 0.45 0.43 0.15 0.00 -1.47 0.00 0.00 33.84 33.40 1yaj n VAL 261 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 1yaj h LYS 262 N 1.92 0.72 -0.87 7.34 1.63 -1.85 -1.83 116.57 123.63 1yaj h LYS 262 Ca 0.00 -0.04 0.12 0.00 -0.85 0.00 0.00 60.65 59.88 1yaj h LYS 262 Cb 0.49 -0.16 -0.07 0.00 -0.60 0.00 0.00 32.23 31.89 1yaj h LYS 262 CO 0.00 0.47 0.56 -1.35 -3.45 0.00 0.00 179.45 175.69 1yaj h PRO 263 N 0.74 0.74 -0.04 1.90 0.11 -1.92 -0.97 132.00 132.55 1yaj h PRO 263 Ca 0.37 -0.04 -0.22 0.00 0.11 0.00 0.00 66.00 66.21 1yaj h PRO 263 Cb 0.32 -0.17 0.01 0.00 0.11 0.00 0.00 31.00 31.27 1yaj h PRO 263 CO -0.24 0.49 -0.88 1.25 -0.21 0.00 0.00 178.00 178.41 1yaj h LEU 264 N 0.76 0.66 -0.83 2.35 7.12 -1.65 -2.34 115.31 121.38 1yaj h LEU 264 Ca 0.42 -0.49 -0.05 0.00 0.13 0.00 0.00 57.88 57.89 1yaj h LEU 264 Cb 0.57 -0.20 -0.03 0.00 -0.53 0.00 0.00 40.66 40.47 1yaj h LEU 264 CO -0.18 1.27 0.26 0.00 -0.13 0.00 0.00 178.44 179.66 1yaj h ALA 265 N 0.70 1.05 -0.04 1.25 0.00 -0.58 -1.00 119.26 120.64 1yaj h ALA 265 Ca -0.07 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 1yaj h ALA 265 Cb 1.50 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1yaj h ALA 265 CO 0.16 0.65 -0.04 0.93 0.00 0.00 0.00 179.25 180.95 1yaj h GLU 266 N 1.10 0.09 -0.16 0.00 5.08 -1.21 0.06 114.58 119.53 1yaj h GLU 266 Ca 0.24 -0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.60 1yaj h GLU 266 Cb 0.26 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1yaj h GLU 266 CO -0.01 0.56 0.15 0.37 -1.00 0.00 0.00 179.01 179.07 1yaj h GLN 267 N -0.37 0.00 0.09 2.33 4.15 -1.29 0.46 115.11 120.48 1yaj h GLN 267 Ca 0.01 0.00 -0.17 0.00 0.77 0.00 0.00 58.65 59.26 1yaj h GLN 267 Cb 0.54 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.24 1yaj h GLN 267 CO 0.01 0.00 -0.80 0.82 -1.93 0.00 0.00 178.83 176.93 1yaj h ILE 268 N 0.00 1.42 -0.72 2.39 2.04 -0.99 -3.13 117.51 118.52 1yaj h ILE 268 Ca 0.08 -2.44 0.06 0.00 1.00 0.00 0.00 64.86 63.56 1yaj h ILE 268 Cb 0.38 3.06 -0.04 0.00 -0.74 0.00 0.00 36.82 39.47 1yaj h ILE 268 CO -0.00 0.66 0.47 0.00 0.00 0.00 0.00 178.15 179.28 1yaj h ALA 269 N -0.01 1.70 0.03 1.87 0.00 0.43 0.01 119.26 123.28 1yaj h ALA 269 Ca -0.16 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1yaj h ALA 269 Cb 1.50 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1yaj h ALA 269 CO 0.07 0.20 -0.01 0.82 0.00 0.00 0.00 179.25 180.32 1yaj h ILE 270 N 0.76 1.31 -0.52 0.00 2.04 -0.25 0.15 117.51 121.00 1yaj h ILE 270 Ca 0.31 -1.07 0.03 0.00 1.00 0.00 0.00 64.86 65.12 1yaj h ILE 270 Cb 0.24 2.02 -0.03 0.00 -0.74 0.00 0.00 36.82 38.31 1yaj h ILE 270 CO -0.10 0.27 0.34 0.74 0.00 0.00 0.00 178.15 179.41 1yaj h THR 271 N -0.50 1.07 0.00 -0.27 2.02 -1.39 -0.49 112.91 113.35 1yaj h THR 271 Ca -0.00 -0.21 -0.07 0.00 0.77 0.00 0.00 66.41 66.90 1yaj h THR 271 Cb 0.47 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 1yaj h THR 271 CO 0.01 0.11 -0.34 0.00 0.37 0.00 0.00 175.52 175.67 1yaj h ALA 272 N 1.70 1.24 0.00 6.16 0.00 -0.96 -3.47 119.26 123.93 1yaj h ALA 272 Ca 0.20 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1yaj h ALA 272 Cb 0.07 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1yaj h ALA 272 CO -0.05 0.42 0.00 0.41 0.00 0.00 0.00 179.25 180.03 1yaj n GLY 273 N -0.28 1.74 3.89 0.00 0.00 -0.19 -5.00 105.19 105.35 1yaj n GLY 273 Ca -0.01 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.80 1yaj n GLY 273 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yaj s LYS 275 N -4.14 3.43 -0.09 0.00 1.02 -1.26 -4.44 119.74 114.26 1yaj s LYS 275 Ca 0.48 0.15 0.13 0.00 0.02 0.00 0.00 55.97 56.75 1yaj s LYS 275 Cb -0.04 -2.36 0.23 0.00 -0.52 0.00 0.00 37.83 35.14 1yaj s LYS 275 CO 0.28 -0.29 1.12 0.25 -0.92 0.00 0.00 175.35 175.79 1yaj n THR 276 N -2.31 1.21 0.05 2.17 -2.24 -1.26 -4.25 114.28 107.65 1yaj n THR 276 Ca 0.01 -1.61 -0.11 0.00 -2.27 0.00 0.00 64.05 60.08 1yaj n THR 276 Cb 0.56 0.08 -0.07 0.00 -2.10 0.00 0.00 70.33 68.80 1yaj n THR 276 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1yaj h THR 277 N 2.80 0.00 -4.61 4.28 2.02 -1.97 -3.45 112.91 111.98 1yaj h THR 277 Ca -0.02 0.00 -0.47 0.00 0.77 0.00 0.00 66.41 66.69 1yaj h THR 277 Cb 1.19 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 67.50 1yaj h THR 277 CO 0.01 0.00 -0.40 0.35 0.37 0.00 0.00 175.52 175.85 1yaj n THR 278 N -4.43 0.00 -0.02 3.16 -2.24 -1.26 -5.03 114.28 104.46 1yaj n THR 278 Ca -0.05 -2.05 -0.15 0.00 -2.27 0.00 0.00 64.05 59.53 1yaj n THR 278 Cb 0.26 0.77 -0.11 0.00 -2.10 0.00 0.00 70.33 69.16 1yaj n THR 278 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1yaj h SER 279 N 1.44 0.30 -0.71 3.42 0.02 -1.96 -2.76 113.55 113.31 1yaj h SER 279 Ca -0.26 -0.74 0.10 0.00 -0.84 0.00 0.00 61.79 60.05 1yaj h SER 279 Cb 1.04 -0.09 -0.08 0.00 0.14 0.00 0.00 62.40 63.41 1yaj h SER 279 CO 0.41 1.00 0.33 0.00 -1.14 0.00 0.00 176.83 177.44 1yaj h ALA 280 N 0.31 0.98 0.48 3.77 0.00 -1.97 -2.25 119.26 120.59 1yaj h ALA 280 Ca -0.03 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1yaj h ALA 280 Cb 1.03 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1yaj h ALA 280 CO 0.06 -0.09 -0.46 0.28 0.00 0.00 0.00 179.25 179.04 1yaj h VAL 281 N 0.56 0.00 -0.32 0.00 2.07 -1.95 -1.71 116.25 114.91 1yaj h VAL 281 Ca 0.36 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.91 1yaj h VAL 281 Cb 0.41 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.13 1yaj h VAL 281 CO -0.29 0.00 -0.36 0.24 0.02 0.00 0.00 177.57 177.17 1yaj h MET 282 N -0.94 -0.21 -0.93 1.57 0.00 -1.16 0.04 114.93 113.29 1yaj h MET 282 Ca -0.06 0.01 0.27 0.00 0.00 0.00 0.00 59.70 59.93 1yaj h MET 282 Cb 0.81 0.05 -0.15 0.00 0.00 0.00 0.00 31.60 32.31 1yaj h MET 282 CO -0.05 -0.14 0.36 0.28 0.00 0.00 0.00 176.91 177.36 1yaj h VAL 283 N -0.22 0.29 -0.27 -2.22 2.07 -1.35 0.32 116.25 114.87 1yaj h VAL 283 Ca 0.05 -0.08 -0.18 0.00 0.82 0.00 0.00 66.70 67.31 1yaj h VAL 283 Cb 0.37 0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.16 1yaj h VAL 283 CO -0.42 0.04 -0.54 -0.74 0.02 0.00 0.00 177.57 175.94 1yaj h HIS 284 N 0.24 1.01 -0.19 1.57 -0.00 -0.34 -2.78 115.15 114.66 1yaj h HIS 284 Ca 0.63 -0.35 -0.13 0.00 -0.00 0.00 0.00 60.37 60.51 1yaj h HIS 284 Cb 1.35 -0.19 -0.01 0.00 -0.00 0.00 0.00 27.41 28.56 1yaj h HIS 284 CO -0.17 1.16 -0.44 0.00 -0.00 0.00 0.00 177.93 178.47 1yaj h LEU 286 N 0.38 0.00 0.00 0.00 3.38 -0.71 -2.65 115.31 115.72 1yaj h LEU 286 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1yaj h LEU 286 Cb 0.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1yaj h LEU 286 CO 0.08 0.67 0.00 0.54 0.09 0.00 0.00 178.44 179.82 1yaj n ARG 287 N -3.52 0.05 0.01 1.13 1.74 -1.05 -2.18 116.66 112.84 1yaj n ARG 287 Ca -0.00 0.26 0.02 0.00 -0.77 0.00 0.00 57.85 57.36 1yaj n ARG 287 Cb 0.71 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.54 1yaj n ARG 287 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1yaj n GLN 288 N -1.44 0.64 -1.71 5.56 1.13 -1.00 -4.81 117.38 115.75 1yaj n GLN 288 Ca 0.04 0.06 -0.33 0.00 -1.94 0.00 0.00 57.00 54.83 1yaj n GLN 288 Cb 0.12 -1.69 0.05 0.00 0.11 0.00 0.00 30.24 28.84 1yaj n GLN 288 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 1yaj s LYS 289 N -3.04 2.69 0.74 -1.09 -0.14 -0.93 -5.04 119.74 112.93 1yaj s LYS 289 Ca -0.05 1.47 -0.07 0.00 -1.36 0.00 0.00 55.97 55.96 1yaj s LYS 289 Cb 0.10 -1.93 0.10 0.00 -1.68 0.00 0.00 37.83 34.41 1yaj s LYS 289 CO 0.84 -1.35 1.05 0.95 -0.76 0.00 0.00 175.35 176.08 1yaj s THR 290 N -2.25 2.22 0.17 2.17 -4.23 -1.26 -4.85 115.64 107.61 1yaj s THR 290 Ca 0.69 -0.30 -0.13 0.00 -1.18 0.00 0.00 61.69 60.77 1yaj s THR 290 Cb -0.22 -2.91 0.07 0.00 1.34 0.00 0.00 72.50 70.78 1yaj s THR 290 CO 0.42 0.00 1.77 -0.08 -0.54 0.00 0.00 174.62 176.18 1yaj h GLU 291 N -0.73 0.83 -0.77 3.99 4.81 -1.98 0.65 114.58 121.37 1yaj h GLU 291 Ca -0.43 -0.11 -0.02 0.00 -0.13 0.00 0.00 59.36 58.67 1yaj h GLU 291 Cb 1.29 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 30.48 1yaj h GLU 291 CO 0.52 0.66 0.40 0.93 -0.73 0.00 0.00 179.01 180.79 1yaj h GLU 292 N 0.79 1.10 -0.34 1.92 3.07 -1.97 0.60 114.58 119.74 1yaj h GLU 292 Ca 0.20 -0.14 -0.12 0.00 -0.50 0.00 0.00 59.36 58.80 1yaj h GLU 292 Cb 0.09 -0.21 -0.01 0.00 -0.84 0.00 0.00 28.75 27.79 1yaj h GLU 292 CO -0.03 0.83 -0.26 0.93 -1.40 0.00 0.00 179.01 179.09 1yaj h GLU 293 N 1.08 0.78 0.00 2.33 5.08 -1.78 0.02 114.58 122.10 1yaj h GLU 293 Ca 0.27 -0.38 -0.10 0.00 -1.00 0.00 0.00 59.36 58.15 1yaj h GLU 293 Cb 0.08 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1yaj h GLU 293 CO -0.04 1.01 -0.47 -0.07 -1.00 0.00 0.00 179.01 178.44 1yaj h LEU 294 N 0.56 0.00 -0.38 1.33 3.38 -0.63 -1.03 115.31 118.54 1yaj h LEU 294 Ca 0.06 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.86 1yaj h LEU 294 Cb 0.82 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 1yaj h LEU 294 CO 0.07 0.47 -0.47 0.25 0.09 0.00 0.00 178.44 178.85 1yaj h LEU 295 N 0.00 0.95 -0.75 1.67 5.85 0.44 -2.23 115.31 121.24 1yaj h LEU 295 Ca -0.00 -0.47 -0.13 0.00 0.84 0.00 0.00 57.88 58.11 1yaj h LEU 295 Cb 0.97 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 1yaj h LEU 295 CO 0.06 1.26 -0.56 -0.08 -0.34 0.00 0.00 178.44 178.78 1yaj h GLU 296 N 0.69 0.19 -0.56 1.25 4.57 -0.71 -2.68 114.58 117.34 1yaj h GLU 296 Ca 0.04 -0.12 -0.04 0.00 -1.18 0.00 0.00 59.36 58.05 1yaj h GLU 296 Cb 1.06 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.64 1yaj h GLU 296 CO 0.11 0.70 0.17 1.15 -1.18 0.00 0.00 179.01 179.96 1yaj h THR 297 N 0.15 1.22 -0.35 0.32 2.02 -0.97 -1.17 112.91 114.13 1yaj h THR 297 Ca -0.00 -0.75 -0.02 0.00 0.77 0.00 0.00 66.41 66.41 1yaj h THR 297 Cb 1.03 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 68.04 1yaj h THR 297 CO 0.08 0.29 0.16 0.74 0.37 0.00 0.00 175.52 177.16 1yaj h THR 298 N 0.81 1.17 0.00 3.16 2.02 -1.08 -2.02 112.91 116.98 1yaj h THR 298 Ca 0.19 -0.51 -0.03 0.00 0.77 0.00 0.00 66.41 66.83 1yaj h THR 298 Cb 0.24 0.86 -0.00 0.00 -1.74 0.00 0.00 68.15 67.51 1yaj h THR 298 CO -0.01 0.19 -0.12 -0.07 0.37 0.00 0.00 175.52 175.88 1yaj h LEU 299 N 0.43 0.00 0.00 2.58 3.38 -1.26 -2.90 115.31 117.54 1yaj h LEU 299 Ca 0.12 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.94 1yaj h LEU 299 Cb 0.15 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1yaj h LEU 299 CO -0.01 0.12 -0.90 0.11 0.09 0.00 0.00 178.44 177.84 1yaj h LYS 300 N 0.00 0.00 -0.19 1.13 1.57 -0.90 -3.26 116.57 114.92 1yaj h LYS 300 Ca -0.00 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.62 1yaj h LYS 300 Cb 0.69 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.00 1yaj h LYS 300 CO 0.02 0.54 -0.53 0.52 -0.57 0.00 0.00 179.45 179.42 1yaj h MET 301 N 0.00 0.54 -5.28 3.15 2.86 -1.18 -3.48 114.93 111.54 1yaj h MET 301 Ca -0.06 -0.33 -0.29 0.00 -2.06 0.00 0.00 59.70 56.95 1yaj h MET 301 Cb 1.55 0.04 0.15 0.00 0.06 0.00 0.00 31.60 33.40 1yaj h MET 301 CO 0.07 0.94 -0.70 1.63 1.06 0.00 0.00 176.91 179.92 1yaj n LYS 302 N -3.96 -5.80 0.34 1.72 5.02 -1.12 -4.95 118.16 109.40 1yaj n LYS 302 Ca -0.03 0.77 0.18 0.00 -2.02 0.00 0.00 58.31 57.21 1yaj n LYS 302 Cb 0.59 -5.53 0.98 0.00 -0.02 0.00 0.00 35.03 31.06 1yaj n LYS 302 CO 0.00 0.00 0.00 0.74 -0.52 0.00 0.00 177.40 177.62 1yaj h PHE 303 N -1.68 0.00 0.00 2.13 0.05 -1.91 -3.25 116.94 112.28 1yaj h PHE 303 Ca -0.53 0.00 -0.28 0.00 3.82 0.00 0.00 57.97 60.98 1yaj h PHE 303 Cb 1.31 0.00 -0.05 0.00 2.00 0.00 0.00 35.95 39.20 1yaj h PHE 303 CO 0.39 0.00 -2.06 -0.11 -0.18 0.00 0.00 178.31 176.35 1yaj n LEU 304 N -2.96 2.71 -4.23 1.54 7.94 -1.26 -4.21 117.00 116.52 1yaj n LEU 304 Ca -0.02 -0.09 -0.34 0.00 -1.11 0.00 0.00 56.01 54.44 1yaj n LEU 304 Cb 0.26 -0.56 0.09 0.00 0.53 0.00 0.00 43.42 43.73 1yaj n LEU 304 CO 0.16 0.77 -0.70 -1.20 -1.11 0.00 0.00 177.39 175.32 1yaj n SER 305 N -3.00 -3.64 -4.19 1.96 7.64 -1.23 -4.77 113.62 106.39 1yaj n SER 305 Ca -0.32 0.22 -0.34 0.00 1.01 0.00 0.00 58.87 59.44 1yaj n SER 305 Cb 0.87 -0.98 -0.15 0.00 -1.01 0.00 0.00 64.21 62.93 1yaj n SER 305 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1yaj s LEU 306 N 2.76 2.73 -0.06 -3.43 2.96 -1.23 -5.06 118.68 117.34 1yaj s LEU 306 Ca 0.49 -0.70 -0.32 0.00 -0.22 0.00 0.00 54.13 53.38 1yaj s LEU 306 Cb -0.18 -1.60 -0.10 0.00 0.50 0.00 0.00 46.19 44.81 1yaj s LEU 306 CO 0.73 -0.06 1.97 -0.67 -1.32 0.00 0.00 176.35 177.01 1yaj n ASP 307 N 4.67 3.67 -0.02 3.68 4.64 -1.26 -4.86 116.55 127.07 1yaj n ASP 307 Ca -0.18 0.84 -0.11 0.00 -1.38 0.00 0.00 54.79 53.95 1yaj n ASP 307 Cb 0.49 -1.45 0.02 0.00 -1.04 0.00 0.00 41.12 39.14 1yaj n ASP 307 CO 0.00 0.00 0.00 -0.07 -0.82 0.00 0.00 177.20 176.31 1yaj h LEU 308 N 10.58 0.72 -8.69 -2.67 3.38 -1.97 -3.46 115.31 113.19 1yaj h LEU 308 Ca -0.47 -0.39 -0.35 0.00 0.09 0.00 0.00 57.88 56.76 1yaj h LEU 308 Cb 1.26 -0.21 -0.15 0.00 0.09 0.00 0.00 40.66 41.65 1yaj h LEU 308 CO 0.95 1.13 -0.71 0.00 0.09 0.00 0.00 178.44 179.90 1yaj s GLN 309 N -4.02 1.11 0.00 1.13 0.00 -1.26 -5.09 119.66 111.53 1yaj s GLN 309 Ca -0.08 -1.48 0.00 0.00 -0.00 0.00 0.00 55.36 53.80 1yaj s GLN 309 Cb 0.11 -0.69 0.00 0.00 0.00 0.00 0.00 33.01 32.42 1yaj s GLN 309 CO 0.86 0.08 0.00 0.41 0.00 0.00 0.00 175.29 176.64 1yaj n GLY 310 N -0.23 1.14 3.70 2.60 0.00 -1.26 -4.94 105.19 106.20 1yaj n GLY 310 Ca -0.10 -2.08 -0.42 0.00 0.00 0.00 0.00 46.02 43.42 1yaj n GLY 310 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1yaj s ASP 311 N 0.00 6.93 0.22 1.61 -1.08 -1.26 -4.93 116.67 118.16 1yaj s ASP 311 Ca 0.00 2.07 -0.07 0.00 -0.52 0.00 0.00 52.55 54.03 1yaj s ASP 311 Cb 0.00 -2.57 0.35 0.00 -1.46 0.00 0.00 42.92 39.24 1yaj s ASP 311 CO 0.00 -0.64 1.75 -0.65 0.52 0.00 0.00 175.17 176.15 1yaj h PRO 312 N 7.43 0.48 -3.12 4.34 0.11 -1.91 -3.23 132.00 136.09 1yaj h PRO 312 Ca -0.38 -0.03 -0.46 0.00 0.11 0.00 0.00 66.00 65.24 1yaj h PRO 312 Cb 1.19 -0.11 0.01 0.00 0.11 0.00 0.00 31.00 32.20 1yaj h PRO 312 CO 0.88 0.32 2.75 0.54 -0.21 0.00 0.00 178.00 182.27 1yaj n ARG 313 N -4.95 2.64 0.00 1.05 1.74 -1.26 -3.46 116.66 112.42 1yaj n ARG 313 Ca 0.11 -1.65 0.00 0.00 -0.77 0.00 0.00 57.85 55.54 1yaj n ARG 313 Cb 0.31 -2.51 0.00 0.00 -1.02 0.00 0.00 32.46 29.24 1yaj n ARG 313 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1yaj n GLU 314 N 3.77 0.00 -1.13 5.56 1.02 -1.22 -4.98 120.64 123.65 1yaj n GLU 314 Ca 0.56 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 57.30 1yaj n GLU 314 Cb 0.24 -0.05 -0.05 0.00 -0.02 0.00 0.00 31.44 31.56 1yaj n GLU 314 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1yaj n SER 315 N -2.33 2.90 -4.62 1.62 3.41 -1.22 -4.91 113.62 108.46 1yaj n SER 315 Ca 0.00 -2.64 -0.51 0.00 -0.26 0.00 0.00 58.87 55.46 1yaj n SER 315 Cb 0.00 -1.14 -0.06 0.00 -0.26 0.00 0.00 64.21 62.75 1yaj n SER 315 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1yaj n GLN 316 N 6.59 1.64 -0.79 4.33 -0.06 -1.26 -4.94 117.38 122.90 1yaj n GLN 316 Ca 0.49 0.56 -0.27 0.00 -2.00 0.00 0.00 57.00 55.78 1yaj n GLN 316 Cb 0.37 -2.50 0.23 0.00 -4.06 0.00 0.00 30.24 24.28 1yaj n GLN 316 CO 0.00 0.00 0.00 -2.30 -0.20 0.00 0.00 177.06 174.56 1yaj n PRO 317 N 6.89 -3.27 -0.48 3.69 -0.02 -1.26 -4.89 135.00 135.65 1yaj n PRO 317 Ca 0.29 -1.52 -0.19 0.00 -2.02 0.00 0.00 63.50 60.06 1yaj n PRO 317 Cb 0.25 -1.52 -0.03 0.00 -0.02 0.00 0.00 33.50 32.18 1yaj n PRO 317 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 1yaj n LEU 318 N 0.00 0.13 -4.56 2.45 -0.00 -1.26 -4.73 117.00 109.03 1yaj n LEU 318 Ca 0.13 0.36 -0.31 0.00 -0.00 0.00 0.00 56.01 56.19 1yaj n LEU 318 Cb 0.53 -0.28 -0.04 0.00 -0.00 0.00 0.00 43.42 43.63 1yaj n LEU 318 CO 0.36 -0.47 1.41 -1.48 -0.00 0.00 0.00 177.39 177.21 1yaj s LEU 319 N 0.32 3.23 0.00 1.47 2.34 -1.26 -4.88 118.68 119.90 1yaj s LEU 319 Ca 0.29 -0.54 0.00 0.00 0.06 0.00 0.00 54.13 53.94 1yaj s LEU 319 Cb -0.41 -2.55 0.00 0.00 -0.56 0.00 0.00 46.19 42.66 1yaj s LEU 319 CO 0.20 -2.50 0.00 0.61 -1.06 0.00 0.00 176.35 173.60 1yaj n GLY 320 N 6.56 1.58 3.76 -3.48 0.00 -1.26 -4.59 105.19 107.77 1yaj n GLY 320 Ca 0.34 -1.66 -0.38 0.00 0.00 0.00 0.00 46.02 44.32 1yaj n GLY 320 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1yaj s THR 321 N 3.04 2.67 -0.01 2.61 2.01 -0.31 -4.71 115.64 120.93 1yaj s THR 321 Ca 0.00 0.50 -0.04 0.00 0.31 0.00 0.00 61.69 62.45 1yaj s THR 321 Cb 0.00 -3.25 0.00 0.00 0.01 0.00 0.00 72.50 69.26 1yaj s THR 321 CO 0.00 -0.01 0.09 0.68 -0.69 0.00 0.00 174.62 174.69 1yaj s VAL 322 N -1.45 0.05 -0.33 3.82 -7.23 -1.26 -0.85 120.40 113.15 1yaj s VAL 322 Ca 0.67 -0.41 -0.29 0.00 -1.81 0.00 0.00 61.98 60.14 1yaj s VAL 322 Cb -0.33 -0.28 -0.01 0.00 0.56 0.00 0.00 36.38 36.32 1yaj s VAL 322 CO 0.40 -0.23 1.68 -0.63 -0.31 0.00 0.00 175.10 176.01 1yaj s ILE 323 N -0.74 3.61 -0.20 -0.62 -1.09 -1.26 -4.75 121.20 116.16 1yaj s ILE 323 Ca -0.08 0.63 0.06 0.00 -2.23 0.00 0.00 60.65 59.03 1yaj s ILE 323 Cb -0.05 -3.78 -0.08 0.00 -1.58 0.00 0.00 42.46 36.97 1yaj s ILE 323 CO 0.00 -0.47 0.22 -0.90 -1.23 0.00 0.00 174.94 172.57 1yaj n ASP 324 N 9.64 1.45 0.00 3.58 3.85 -1.14 -5.01 116.55 128.92 1yaj n ASP 324 Ca 0.21 -0.42 0.00 0.00 -0.71 0.00 0.00 54.79 53.87 1yaj n ASP 324 Cb 0.47 1.11 0.00 0.00 -1.35 0.00 0.00 41.12 41.35 1yaj n ASP 324 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1yaj n GLY 325 N 1.50 0.91 0.61 6.12 0.00 -0.07 -4.84 105.19 109.42 1yaj n GLY 325 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 1yaj n GLY 325 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1yaj n MET 326 N -2.00 0.12 0.07 1.61 2.81 -1.26 -4.68 117.12 113.80 1yaj n MET 326 Ca 0.00 0.05 -0.10 0.00 -1.81 0.00 0.00 57.70 55.84 1yaj n MET 326 Cb 0.00 -0.59 -0.06 0.00 -0.71 0.00 0.00 33.22 31.86 1yaj n MET 326 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 1yaj h LEU 327 N -0.23 -0.23 -7.96 4.03 5.85 -1.94 -3.42 115.31 111.41 1yaj h LEU 327 Ca 0.00 -0.26 -0.66 0.00 0.84 0.00 0.00 57.88 57.80 1yaj h LEU 327 Cb 0.23 0.06 -0.36 0.00 0.37 0.00 0.00 40.66 40.96 1yaj h LEU 327 CO 0.00 0.30 -0.84 -0.76 -0.34 0.00 0.00 178.44 176.81 1yaj s LEU 328 N -8.97 2.50 0.35 2.25 1.43 -1.26 -3.73 118.68 111.26 1yaj s LEU 328 Ca -0.11 -0.89 0.27 0.00 -1.03 0.00 0.00 54.13 52.37 1yaj s LEU 328 Cb 0.00 -1.45 0.90 0.00 0.03 0.00 0.00 46.19 45.67 1yaj s LEU 328 CO 0.39 -0.08 1.77 -0.07 0.23 0.00 0.00 176.35 178.60 1yaj h LEU 329 N 7.90 0.00 -7.40 1.79 3.38 -1.84 -0.12 115.31 119.02 1yaj h LEU 329 Ca -0.36 0.00 0.15 0.00 0.09 0.00 0.00 57.88 57.77 1yaj h LEU 329 Cb 1.11 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.75 1yaj h LEU 329 CO 0.56 0.00 0.49 -1.59 0.09 0.00 0.00 178.44 177.99 1yaj s LYS 330 N -3.32 1.04 0.61 1.13 -2.85 -1.26 -4.69 119.74 110.40 1yaj s LYS 330 Ca 0.06 -0.51 -0.18 0.00 -1.00 0.00 0.00 55.97 54.34 1yaj s LYS 330 Cb 0.09 0.39 -0.05 0.00 -2.06 0.00 0.00 37.83 36.20 1yaj s LYS 330 CO 0.54 -0.47 0.80 0.25 0.10 0.00 0.00 175.35 176.57 1yaj n THR 331 N -0.39 3.15 0.03 3.79 -2.24 -1.26 -4.69 114.28 112.67 1yaj n THR 331 Ca -0.07 -0.49 -0.11 0.00 -2.27 0.00 0.00 64.05 61.12 1yaj n THR 331 Cb 0.61 -0.97 -0.04 0.00 -2.10 0.00 0.00 70.33 67.83 1yaj n THR 331 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1yaj h PRO 332 N 0.27 -0.34 -0.98 -0.78 0.11 -1.99 -1.32 132.00 126.98 1yaj h PRO 332 Ca -0.47 0.02 0.14 0.00 0.11 0.00 0.00 66.00 65.80 1yaj h PRO 332 Cb 1.37 0.08 -0.15 0.00 0.11 0.00 0.00 31.00 32.41 1yaj h PRO 332 CO 0.49 -0.22 -0.43 0.93 -0.21 0.00 0.00 178.00 178.55 1yaj h GLU 333 N -0.35 -0.01 0.29 1.05 3.07 -1.90 0.55 114.58 117.28 1yaj h GLU 333 Ca 0.08 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.93 1yaj h GLU 333 Cb 0.46 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.38 1yaj h GLU 333 CO -0.26 -0.01 -0.14 0.93 -1.40 0.00 0.00 179.01 178.13 1yaj h GLU 334 N -0.01 -0.37 -1.01 2.33 5.08 -1.81 -2.99 114.58 115.79 1yaj h GLU 334 Ca 0.30 0.03 0.24 0.00 -1.00 0.00 0.00 59.36 58.93 1yaj h GLU 334 Cb 0.56 0.09 -0.10 0.00 0.50 0.00 0.00 28.75 29.79 1yaj h GLU 334 CO -0.97 -0.23 0.63 -0.07 -1.00 0.00 0.00 179.01 177.38 1yaj h LEU 335 N -0.41 0.56 -1.79 1.33 3.38 0.21 -0.76 115.31 117.83 1yaj h LEU 335 Ca -0.04 0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.06 1yaj h LEU 335 Cb 0.31 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1yaj h LEU 335 CO 0.07 0.13 0.20 1.56 0.09 0.00 0.00 178.44 180.49 1yaj h GLN 336 N 0.51 0.27 -0.01 1.13 4.20 -1.04 0.02 115.11 120.19 1yaj h GLN 336 Ca 0.59 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 59.25 1yaj h GLN 336 Cb 1.29 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 29.01 1yaj h GLN 336 CO -0.35 0.18 -0.19 0.00 -0.67 0.00 0.00 178.83 177.80 1yaj h ALA 337 N 1.83 1.67 -2.68 3.87 0.00 -1.21 -3.43 119.26 119.30 1yaj h ALA 337 Ca 0.12 -0.18 -0.56 0.00 0.00 0.00 0.00 54.91 54.29 1yaj h ALA 337 Cb 0.15 -0.04 0.12 0.00 0.00 0.00 0.00 17.79 18.02 1yaj h ALA 337 CO -0.03 0.25 0.55 -1.91 0.00 0.00 0.00 179.25 178.12 1yaj n GLU 338 N -4.31 2.14 0.00 0.00 2.13 -0.01 -4.99 120.64 115.61 1yaj n GLU 338 Ca -0.02 0.75 0.00 0.00 0.66 0.00 0.00 57.16 58.55 1yaj n GLU 338 Cb 0.26 -2.41 0.00 0.00 0.27 0.00 0.00 31.44 29.55 1yaj n GLU 338 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1yaj n ARG 339 N 0.30 0.00 -1.40 5.31 3.00 -1.26 -4.94 116.66 117.68 1yaj n ARG 339 Ca 0.05 0.00 -0.58 0.00 -0.01 0.00 0.00 57.85 57.31 1yaj n ARG 339 Cb 0.38 0.00 -0.10 0.00 0.00 0.00 0.00 32.46 32.74 1yaj n ARG 339 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1yaj n ASN 340 N -0.79 1.37 -3.59 0.55 5.03 -1.26 -4.83 115.26 111.73 1yaj n ASN 340 Ca 0.00 0.68 0.02 0.00 0.87 0.00 0.00 54.58 56.15 1yaj n ASN 340 Cb 0.00 -1.03 -0.01 0.00 -1.02 0.00 0.00 39.78 37.72 1yaj n ASN 340 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 1yaj s PHE 341 N 5.91 -0.03 -0.54 3.10 5.36 -1.26 -5.11 117.98 125.41 1yaj s PHE 341 Ca 1.13 -0.01 -0.28 0.00 -0.96 0.00 0.00 56.93 56.81 1yaj s PHE 341 Cb -1.26 0.52 0.03 0.00 -0.34 0.00 0.00 43.02 41.97 1yaj s PHE 341 CO 0.62 -0.12 1.15 -1.58 -1.46 0.00 0.00 175.22 173.84 1yaj s HIS 342 N -2.19 2.71 -0.08 10.12 5.65 -1.26 -5.01 115.29 125.23 1yaj s HIS 342 Ca 0.14 0.51 -0.05 0.00 0.25 0.00 0.00 55.06 55.91 1yaj s HIS 342 Cb 0.05 -4.45 -0.04 0.00 -1.18 0.00 0.00 32.58 26.96 1yaj s HIS 342 CO -0.05 -1.44 0.12 0.95 -0.65 0.00 0.00 174.74 173.67 1yaj s THR 343 N 4.67 5.22 0.08 0.89 -4.23 -1.26 -5.09 115.64 115.92 1yaj s THR 343 Ca 0.44 -0.01 0.04 0.00 -1.18 0.00 0.00 61.69 60.99 1yaj s THR 343 Cb -0.08 -3.31 -0.03 0.00 1.34 0.00 0.00 72.50 70.42 1yaj s THR 343 CO 0.28 0.53 -0.12 0.68 -0.54 0.00 0.00 174.62 175.44 1yaj s VAL 344 N -1.09 0.99 0.20 2.29 -7.23 -1.26 -5.01 120.40 109.29 1yaj s VAL 344 Ca 0.18 -1.38 -0.32 0.00 -1.81 0.00 0.00 61.98 58.65 1yaj s VAL 344 Cb -0.12 -1.10 -0.15 0.00 0.56 0.00 0.00 36.38 35.57 1yaj s VAL 344 CO 0.08 -0.35 1.20 -2.65 -0.31 0.00 0.00 175.10 173.07 1yaj n PRO 345 N 1.07 1.38 -4.41 4.82 -0.02 -1.26 -4.69 135.00 131.89 1yaj n PRO 345 Ca -0.20 0.49 -0.19 0.00 -2.02 0.00 0.00 63.50 61.58 1yaj n PRO 345 Cb 0.55 -2.01 -0.15 0.00 -0.02 0.00 0.00 33.50 31.87 1yaj n PRO 345 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1yaj s TYR 346 N -0.25 0.88 -0.25 6.00 6.04 -0.79 -1.80 117.35 127.18 1yaj s TYR 346 Ca 0.70 -0.17 -0.00 0.00 0.04 0.00 0.00 57.07 57.65 1yaj s TYR 346 Cb -0.79 -0.57 0.07 0.00 -1.04 0.00 0.00 41.96 39.63 1yaj s TYR 346 CO 0.52 -0.02 -0.00 1.41 -1.54 0.00 0.00 175.55 175.92 1yaj s MET 347 N -0.22 1.26 -0.16 4.97 -2.45 -0.79 -2.03 119.30 119.89 1yaj s MET 347 Ca 0.04 -0.95 -0.05 0.00 -1.25 0.00 0.00 55.69 53.48 1yaj s MET 347 Cb -0.04 -2.44 -0.03 0.00 1.25 0.00 0.00 34.83 33.57 1yaj s MET 347 CO -0.00 -0.69 0.02 0.08 1.05 0.00 0.00 175.02 175.47 1yaj s VAL 348 N 1.49 4.41 0.04 10.11 1.01 -0.87 -0.51 120.40 136.09 1yaj s VAL 348 Ca -0.01 -0.18 -0.04 0.00 0.00 0.00 0.00 61.98 61.75 1yaj s VAL 348 Cb -0.18 -2.95 -0.02 0.00 0.00 0.00 0.00 36.38 33.23 1yaj s VAL 348 CO -0.10 0.49 0.07 -0.83 0.00 0.00 0.00 175.10 174.73 1yaj s GLY 349 N 0.21 0.22 0.21 4.51 0.00 -0.29 -2.56 107.32 109.62 1yaj s GLY 349 Ca 0.01 -0.67 0.02 0.00 0.00 0.00 0.00 44.72 44.09 1yaj s GLY 349 CO 0.01 -0.80 0.04 -0.26 0.00 0.00 0.00 173.10 172.10 1yaj s ILE 350 N -2.79 0.65 -0.04 0.90 -4.36 -0.35 -0.31 121.20 114.90 1yaj s ILE 350 Ca -0.03 -1.99 0.01 0.00 -0.26 0.00 0.00 60.65 58.37 1yaj s ILE 350 Cb -0.00 -2.35 -0.03 0.00 1.25 0.00 0.00 42.46 41.32 1yaj s ILE 350 CO -0.05 -0.26 -0.03 0.20 0.24 0.00 0.00 174.94 175.03 1yaj s ASN 351 N -3.24 4.90 0.25 4.36 0.02 -1.26 -0.59 114.94 119.37 1yaj s ASN 351 Ca 0.30 -0.01 -0.05 0.00 -1.02 0.00 0.00 52.86 52.08 1yaj s ASN 351 Cb 0.07 -1.26 0.44 0.00 0.02 0.00 0.00 41.25 40.52 1yaj s ASN 351 CO 0.08 0.32 1.35 1.17 0.02 0.00 0.00 177.10 180.04 1yaj n LYS 352 N 1.81 -0.08 -3.45 -0.60 3.00 0.59 -2.69 118.16 116.73 1yaj n LYS 352 Ca -0.16 1.34 -0.27 0.00 -0.00 0.00 0.00 58.31 59.22 1yaj n LYS 352 Cb 0.53 -2.02 -0.09 0.00 0.00 0.00 0.00 35.03 33.46 1yaj n LYS 352 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 1yaj n GLN 353 N -5.38 1.85 0.13 1.64 6.02 -0.81 -4.92 117.38 115.93 1yaj n GLN 353 Ca 0.15 -4.22 0.13 0.00 -0.01 0.00 0.00 57.00 53.05 1yaj n GLN 353 Cb 0.47 -2.00 0.65 0.00 1.02 0.00 0.00 30.24 30.39 1yaj n GLN 353 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1yaj h GLU 354 N 4.46 0.03 -0.50 -1.09 4.39 -1.64 0.20 114.58 120.42 1yaj h GLU 354 Ca 0.17 -0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.64 1yaj h GLU 354 Cb 0.74 -0.01 -0.14 0.00 -0.10 0.00 0.00 28.75 29.25 1yaj h GLU 354 CO 0.70 0.02 0.11 0.34 -1.16 0.00 0.00 179.01 179.02 1yaj n PHE 355 N -4.47 1.59 0.00 4.33 -0.00 -1.26 -3.56 117.46 114.09 1yaj n PHE 355 Ca 0.03 -1.52 0.00 0.00 -0.00 0.00 0.00 57.45 55.96 1yaj n PHE 355 Cb 0.32 -0.58 0.00 0.00 -0.00 0.00 0.00 39.48 39.22 1yaj n PHE 355 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1yaj n GLY 356 N -0.97 -2.59 0.88 7.13 0.00 0.69 -4.71 105.19 105.62 1yaj n GLY 356 Ca 0.38 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.52 1yaj n GLY 356 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1yaj n TRP 357 N -2.18 0.00 0.04 1.61 -0.00 -1.26 -4.92 117.44 110.73 1yaj n TRP 357 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.50 57.46 1yaj n TRP 357 Cb 0.00 0.21 -0.02 0.00 -0.00 0.00 0.00 31.31 31.50 1yaj n TRP 357 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 177.69 178.94 1yaj h LEU 358 N 0.00 -0.37 -0.07 5.87 5.85 -1.89 -0.52 115.31 124.18 1yaj h LEU 358 Ca 0.00 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.78 1yaj h LEU 358 Cb 0.09 0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.21 1yaj h LEU 358 CO 0.00 -0.14 -0.41 0.40 -0.34 0.00 0.00 178.44 177.95 1yaj h ILE 359 N -0.19 0.00 -0.99 4.05 2.04 -1.90 -1.83 117.51 118.68 1yaj h ILE 359 Ca -0.00 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.06 1yaj h ILE 359 Cb 0.19 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.17 1yaj h ILE 359 CO -0.06 0.00 0.62 -0.65 0.00 0.00 0.00 178.15 178.06 1yaj h PRO 360 N -0.47 0.63 -0.54 2.37 0.11 -1.84 -1.59 132.00 130.67 1yaj h PRO 360 Ca 0.02 -0.04 0.08 0.00 0.11 0.00 0.00 66.00 66.17 1yaj h PRO 360 Cb 0.53 -0.14 -0.07 0.00 0.11 0.00 0.00 31.00 31.43 1yaj h PRO 360 CO -0.31 0.42 0.18 1.98 -0.21 0.00 0.00 178.00 180.06 1yaj h MET 361 N 0.65 0.35 0.03 1.05 4.05 -0.22 -0.51 114.93 120.33 1yaj h MET 361 Ca 0.57 -0.02 -0.20 0.00 -0.28 0.00 0.00 59.70 59.77 1yaj h MET 361 Cb 1.04 -0.08 0.02 0.00 -0.80 0.00 0.00 31.60 31.78 1yaj h MET 361 CO -0.35 0.23 -0.79 -0.07 0.23 0.00 0.00 176.91 176.16 1yaj h LEU 363 N 0.36 0.63 -1.75 3.39 3.38 -1.11 -3.06 115.31 117.15 1yaj h LEU 363 Ca 0.27 -0.79 0.00 0.00 0.09 0.00 0.00 57.88 57.45 1yaj h LEU 363 Cb 0.32 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1yaj h LEU 363 CO -0.28 1.35 0.17 0.24 0.09 0.00 0.00 178.44 180.01 1yaj h MET 364 N -0.01 0.00 -5.30 1.13 2.86 -1.00 -3.46 114.93 109.16 1yaj h MET 364 Ca -0.11 0.00 -0.28 0.00 -2.06 0.00 0.00 59.70 57.25 1yaj h MET 364 Cb 1.50 0.00 0.16 0.00 0.06 0.00 0.00 31.60 33.32 1yaj h MET 364 CO 0.15 0.00 -0.72 0.43 1.06 0.00 0.00 176.91 177.83 1yaj n SER 365 N -2.54 -3.06 -4.77 1.22 7.64 -0.25 -3.49 113.62 108.37 1yaj n SER 365 Ca -0.02 -0.58 -0.40 0.00 1.01 0.00 0.00 58.87 58.88 1yaj n SER 365 Cb 0.21 -4.74 -0.02 0.00 -1.01 0.00 0.00 64.21 58.65 1yaj n SER 365 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1yaj s TYR 366 N -3.33 3.05 -0.66 1.43 5.04 -0.88 -4.86 117.35 117.14 1yaj s TYR 366 Ca 0.10 1.48 0.00 0.00 -2.44 0.00 0.00 57.07 56.21 1yaj s TYR 366 Cb -0.01 -3.56 0.00 0.00 0.35 0.00 0.00 41.96 38.74 1yaj s TYR 366 CO 0.67 -1.63 0.74 -2.30 -1.34 0.00 0.00 175.55 171.68 1yaj n PRO 367 N 0.49 0.00 -2.24 4.97 -0.02 -1.26 -4.44 135.00 132.51 1yaj n PRO 367 Ca 0.02 0.26 -0.38 0.00 -2.02 0.00 0.00 63.50 61.38 1yaj n PRO 367 Cb 0.44 -1.68 -0.03 0.00 -0.02 0.00 0.00 33.50 32.20 1yaj n PRO 367 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1yaj s LEU 368 N -2.48 3.25 0.00 2.45 1.43 -1.26 -4.52 118.68 117.55 1yaj s LEU 368 Ca 0.00 -0.18 0.00 0.00 -1.03 0.00 0.00 54.13 52.92 1yaj s LEU 368 Cb 0.00 -2.55 0.00 0.00 0.03 0.00 0.00 46.19 43.67 1yaj s LEU 368 CO 0.00 -2.20 0.00 -1.54 0.23 0.00 0.00 176.35 172.84 1yaj n SER 369 N 11.60 0.40 0.12 2.29 3.41 -1.26 -4.80 113.62 125.38 1yaj n SER 369 Ca 0.19 -0.01 0.08 0.00 -0.26 0.00 0.00 58.87 58.86 1yaj n SER 369 Cb 0.50 0.11 0.02 0.00 -0.26 0.00 0.00 64.21 64.58 1yaj n SER 369 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1yaj h GLU 370 N 0.00 0.00 0.00 4.33 9.09 -1.98 -3.47 114.58 122.55 1yaj h GLU 370 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1yaj h GLU 370 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 1yaj h GLU 370 CO 0.00 0.14 0.00 0.41 0.05 0.00 0.00 179.01 179.61 1yaj n GLY 371 N 1.22 0.82 3.01 1.06 0.00 -1.26 -5.01 105.19 105.03 1yaj n GLY 371 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 1yaj n GLY 371 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1yaj s GLN 372 N -0.06 1.30 -0.05 1.61 -2.07 -1.26 -4.49 119.66 114.64 1yaj s GLN 372 Ca 0.00 -0.35 0.00 0.00 -1.82 0.00 0.00 55.36 53.19 1yaj s GLN 372 Cb 0.00 -1.15 0.02 0.00 -1.09 0.00 0.00 33.01 30.80 1yaj s GLN 372 CO 0.00 0.07 -0.02 -1.17 -1.32 0.00 0.00 175.29 172.85 1yaj s LEU 373 N 0.44 1.13 0.00 2.60 2.96 -0.46 -4.96 118.68 120.38 1yaj s LEU 373 Ca -0.08 -0.10 0.06 0.00 -0.22 0.00 0.00 54.13 53.79 1yaj s LEU 373 Cb -0.12 -0.40 0.10 0.00 0.50 0.00 0.00 46.19 46.26 1yaj s LEU 373 CO 0.02 -0.09 0.76 -0.90 -1.32 0.00 0.00 176.35 174.82 1yaj n ASP 374 N 4.31 1.72 0.23 3.68 5.75 -1.26 -4.30 116.55 126.68 1yaj n ASP 374 Ca -0.21 -2.29 -0.09 0.00 -0.01 0.00 0.00 54.79 52.18 1yaj n ASP 374 Cb 0.51 -0.43 -0.05 0.00 -1.03 0.00 0.00 41.12 40.12 1yaj n ASP 374 CO 0.00 0.00 0.00 1.56 -0.11 0.00 0.00 177.20 178.65 1yaj h GLN 375 N 0.00 -0.59 -0.74 0.11 1.08 -1.99 -1.51 115.11 111.46 1yaj h GLN 375 Ca -0.26 0.04 0.17 0.00 -1.45 0.00 0.00 58.65 57.15 1yaj h GLN 375 Cb 1.11 0.14 -0.12 0.00 -0.05 0.00 0.00 27.48 28.56 1yaj h GLN 375 CO 0.34 -0.40 0.07 0.87 -0.95 0.00 0.00 178.83 178.77 1yaj h LYS 376 N -0.88 0.15 -0.42 1.46 1.57 -2.01 -0.17 116.57 116.27 1yaj h LYS 376 Ca -0.06 -0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.58 1yaj h LYS 376 Cb 0.47 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 1yaj h LYS 376 CO 0.10 0.10 -0.23 1.15 -0.57 0.00 0.00 179.45 180.00 1yaj h THR 377 N 0.16 1.27 -0.11 -0.16 2.02 -1.98 -2.79 112.91 111.32 1yaj h THR 377 Ca 0.41 -1.37 0.02 0.00 0.77 0.00 0.00 66.41 66.24 1yaj h THR 377 Cb 0.73 1.20 -0.04 0.00 -1.74 0.00 0.00 68.15 68.30 1yaj h THR 377 CO -0.60 0.46 -0.28 0.00 0.37 0.00 0.00 175.52 175.47 1yaj h ALA 378 N 1.00 -0.64 0.04 6.16 0.00 0.07 0.29 119.26 126.18 1yaj h ALA 378 Ca 0.10 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1yaj h ALA 378 Cb 0.77 0.84 -0.04 0.00 0.00 0.00 0.00 17.79 19.36 1yaj h ALA 378 CO 0.06 -0.75 -0.22 0.52 0.00 0.00 0.00 179.25 178.86 1yaj h MET 379 N -0.28 -0.35 -0.05 0.00 2.86 -1.55 0.58 114.93 116.14 1yaj h MET 379 Ca 0.02 0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.70 1yaj h MET 379 Cb 0.34 0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.08 1yaj h MET 379 CO -0.25 -0.24 0.33 1.03 1.06 0.00 0.00 176.91 178.85 1yaj h SER 380 N -0.37 0.00 0.00 1.22 0.87 -1.20 -0.18 113.55 113.89 1yaj h SER 380 Ca 0.05 0.00 -0.26 0.00 -1.23 0.00 0.00 61.79 60.35 1yaj h SER 380 Cb 0.43 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.35 1yaj h SER 380 CO -0.18 0.00 -1.70 -0.11 -0.53 0.00 0.00 176.83 174.32 1yaj n LEU 381 N -3.02 1.92 -0.35 2.23 0.00 0.10 -3.92 117.00 113.96 1yaj n LEU 381 Ca -0.01 0.39 0.36 0.00 0.00 0.00 0.00 56.01 56.75 1yaj n LEU 381 Cb 0.39 -0.84 0.75 0.00 0.00 0.00 0.00 43.42 43.72 1yaj n LEU 381 CO 0.16 0.21 1.33 0.25 0.00 0.00 0.00 177.39 179.34 1yaj h LEU 382 N -1.00 0.02 0.68 -1.96 5.85 0.76 0.13 115.31 119.79 1yaj h LEU 382 Ca -0.39 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.30 1yaj h LEU 382 Cb 1.29 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.33 1yaj h LEU 382 CO -0.24 0.00 -0.33 -0.25 -0.34 0.00 0.00 178.44 177.28 1yaj h TRP 383 N 0.01 -0.85 0.00 1.25 -0.00 -1.23 -2.44 115.95 112.69 1yaj h TRP 383 Ca 0.59 -0.02 0.00 0.00 -0.00 0.00 0.00 58.89 59.46 1yaj h TRP 383 Cb 2.35 0.28 0.00 0.00 -0.00 0.00 0.00 29.16 31.79 1yaj h TRP 383 CO -0.00 -0.53 0.00 1.63 -0.00 0.00 0.00 178.44 179.54 1yaj n LYS 384 N -4.90 0.01 -0.09 2.65 5.02 0.42 -0.68 118.16 120.58 1yaj n LYS 384 Ca -0.11 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.25 1yaj n LYS 384 Cb 0.36 -1.00 0.12 0.00 -0.02 0.00 0.00 35.03 34.49 1yaj n LYS 384 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1yaj n SER 385 N -0.47 2.63 -0.32 4.39 7.64 -0.92 -4.68 113.62 121.89 1yaj n SER 385 Ca 0.00 -1.77 0.17 0.00 1.01 0.00 0.00 58.87 58.28 1yaj n SER 385 Cb 0.00 -0.12 0.34 0.00 -1.01 0.00 0.00 64.21 63.42 1yaj n SER 385 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 1yaj h TYR 386 N 2.88 0.22 0.00 1.43 3.20 -1.00 1.07 116.97 124.78 1yaj h TYR 386 Ca 0.00 0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.93 1yaj h TYR 386 Cb 0.70 0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.03 1yaj h TYR 386 CO 0.12 -0.37 0.00 -0.35 -1.64 0.00 0.00 178.16 175.92 1yaj n PRO 387 N -5.37 0.04 -0.03 1.82 -0.04 -1.26 -0.35 135.00 129.81 1yaj n PRO 387 Ca 0.25 0.29 -0.04 0.00 -0.04 0.00 0.00 63.50 63.96 1yaj n PRO 387 Cb 0.82 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.74 1yaj n PRO 387 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1yaj n LEU 388 N -1.34 1.87 -0.10 1.53 4.77 0.35 -4.67 117.00 119.42 1yaj n LEU 388 Ca 0.02 -0.02 -0.13 0.00 -0.03 0.00 0.00 56.01 55.85 1yaj n LEU 388 Cb 0.04 -0.10 -0.11 0.00 -2.33 0.00 0.00 43.42 40.91 1yaj n LEU 388 CO 0.03 0.44 -1.14 1.33 -1.33 0.00 0.00 177.39 176.72 1yaj n VAL 389 N -2.52 1.19 -2.90 4.08 0.24 -0.27 -4.73 118.33 113.42 1yaj n VAL 389 Ca -0.11 -0.54 -0.12 0.00 -2.04 0.00 0.00 64.34 61.53 1yaj n VAL 389 Cb 0.65 -1.02 0.06 0.00 -1.47 0.00 0.00 33.84 32.06 1yaj n VAL 389 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1yaj s ILE 391 N -3.29 1.85 0.36 0.00 1.01 -1.26 -5.09 121.20 114.78 1yaj s ILE 391 Ca 0.25 -0.83 -0.28 0.00 0.00 0.00 0.00 60.65 59.79 1yaj s ILE 391 Cb -0.03 -1.68 -0.12 0.00 0.01 0.00 0.00 42.46 40.64 1yaj s ILE 391 CO 0.56 0.51 1.42 0.00 0.00 0.00 0.00 174.94 177.42 1yaj n ALA 392 N 4.47 1.99 -0.26 9.38 0.00 -1.26 -4.82 120.51 130.00 1yaj n ALA 392 Ca -0.19 0.35 0.07 0.00 0.00 0.00 0.00 53.44 53.67 1yaj n ALA 392 Cb 0.51 -2.36 0.21 0.00 0.00 0.00 0.00 19.45 17.80 1yaj n ALA 392 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1yaj h LYS 393 N 2.81 0.31 0.00 0.00 1.63 -1.99 0.26 116.57 119.58 1yaj h LYS 393 Ca -0.49 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.29 1yaj h LYS 393 Cb 1.26 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.82 1yaj h LYS 393 CO 0.63 0.20 0.00 -0.85 -3.45 0.00 0.00 179.45 175.99 1yaj n GLU 394 N -5.12 0.40 -0.00 1.90 0.28 -1.26 -1.62 120.64 115.22 1yaj n GLU 394 Ca 0.16 0.00 0.01 0.00 -0.16 0.00 0.00 57.16 57.17 1yaj n GLU 394 Cb 0.49 -1.28 -0.02 0.00 1.43 0.00 0.00 31.44 32.07 1yaj n GLU 394 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1yaj n LEU 395 N -0.78 0.08 0.09 -1.84 4.77 0.88 -4.75 117.00 115.45 1yaj n LEU 395 Ca 0.05 -0.31 -0.12 0.00 -0.03 0.00 0.00 56.01 55.60 1yaj n LEU 395 Cb 0.02 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.05 1yaj n LEU 395 CO 0.04 0.02 0.80 0.40 -1.33 0.00 0.00 177.39 177.32 1yaj h ILE 396 N 0.00 0.76 -1.00 -0.08 1.08 -1.04 -2.74 117.51 114.49 1yaj h ILE 396 Ca 0.00 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 64.63 1yaj h ILE 396 Cb 0.09 0.76 -0.09 0.00 -3.07 0.00 0.00 36.82 34.51 1yaj h ILE 396 CO 0.00 0.00 0.62 -0.65 -0.69 0.00 0.00 178.15 177.43 1yaj h PRO 397 N -0.22 0.82 0.08 2.37 0.11 -1.86 -0.59 132.00 132.71 1yaj h PRO 397 Ca 0.01 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.06 1yaj h PRO 397 Cb 0.22 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.15 1yaj h PRO 397 CO -0.04 0.54 -0.04 1.49 -0.21 0.00 0.00 178.00 179.75 1yaj h GLU 398 N 0.85 -0.10 -0.52 1.05 4.81 -1.81 -2.72 114.58 116.14 1yaj h GLU 398 Ca 0.53 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.87 1yaj h GLU 398 Cb 0.73 0.02 -0.08 0.00 0.63 0.00 0.00 28.75 30.05 1yaj h GLU 398 CO -0.32 -0.07 0.03 0.00 -0.73 0.00 0.00 179.01 177.93 1yaj h ALA 399 N -1.95 0.53 -0.00 2.92 0.00 -1.40 0.13 119.26 119.48 1yaj h ALA 399 Ca -0.01 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1yaj h ALA 399 Cb 0.08 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1yaj h ALA 399 CO 0.02 -0.37 0.42 1.15 0.00 0.00 0.00 179.25 180.47 1yaj h THR 400 N 0.15 0.00 0.16 0.00 2.02 -1.11 0.07 112.91 114.20 1yaj h THR 400 Ca 0.27 0.00 -0.31 0.00 0.77 0.00 0.00 66.41 67.13 1yaj h THR 400 Cb 0.40 0.58 0.01 0.00 -1.74 0.00 0.00 68.15 67.40 1yaj h THR 400 CO -0.41 0.00 -1.56 -0.08 0.37 0.00 0.00 175.52 173.84 1yaj h GLU 401 N 0.00 0.34 0.00 6.66 4.57 -0.41 -2.11 114.58 123.63 1yaj h GLU 401 Ca 0.00 -0.58 -0.02 0.00 -1.18 0.00 0.00 59.36 57.58 1yaj h GLU 401 Cb 0.84 0.22 -0.00 0.00 -0.16 0.00 0.00 28.75 29.64 1yaj h GLU 401 CO -0.00 1.28 -0.11 -0.22 -1.18 0.00 0.00 179.01 178.78 1yaj h LYS 402 N -0.08 0.00 0.00 1.92 1.63 -0.85 -2.62 116.57 116.57 1yaj h LYS 402 Ca -0.32 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.48 1yaj h LYS 402 Cb 1.95 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.58 1yaj h LYS 402 CO 0.13 0.11 -0.15 0.66 -3.45 0.00 0.00 179.45 176.75 1yaj n TYR 403 N -3.83 0.00 1.21 1.91 4.02 -1.02 -4.69 117.16 114.76 1yaj n TYR 403 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.87 1yaj n TYR 403 Cb 0.20 -0.07 0.00 0.00 -0.02 0.00 0.00 39.34 39.45 1yaj n TYR 403 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1yaj n LEU 404 N -2.83 0.43 -0.96 7.72 4.77 -0.79 -3.38 117.00 121.96 1yaj n LEU 404 Ca -0.02 -0.22 0.10 0.00 -0.03 0.00 0.00 56.01 55.84 1yaj n LEU 404 Cb 0.08 -0.22 0.17 0.00 -2.33 0.00 0.00 43.42 41.12 1yaj n LEU 404 CO 0.03 0.11 0.64 0.61 -1.33 0.00 0.00 177.39 177.45 1yaj n GLY 405 N 0.20 1.49 0.51 -0.72 0.00 -0.99 -4.61 105.19 101.08 1yaj n GLY 405 Ca 0.00 -0.62 -0.20 0.00 0.00 0.00 0.00 46.02 45.20 1yaj n GLY 405 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1yaj h GLY 406 N 3.82 -1.36 0.00 -0.02 0.00 -1.79 -3.47 103.07 100.25 1yaj h GLY 406 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 47.33 47.83 1yaj h GLY 406 CO 0.00 -0.49 0.00 -1.30 0.00 0.00 0.00 176.54 174.75 1yaj n THR 407 N -5.61 0.00 -2.81 4.70 -2.24 -1.26 -5.08 114.28 101.98 1yaj n THR 407 Ca -0.16 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.38 1yaj n THR 407 Cb 0.51 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.72 1yaj n THR 407 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1yaj n ASP 408 N -1.46 3.77 -3.70 3.42 8.00 -1.26 -5.00 116.55 120.32 1yaj n ASP 408 Ca 0.00 -3.51 -0.28 0.00 0.71 0.00 0.00 54.79 51.71 1yaj n ASP 408 Cb 0.00 -0.53 -0.16 0.00 -0.02 0.00 0.00 41.12 40.40 1yaj n ASP 408 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1yaj s ASP 409 N -3.32 2.94 0.54 -2.24 2.15 -1.26 -5.02 116.67 110.47 1yaj s ASP 409 Ca 0.45 -0.89 0.39 0.00 0.43 0.00 0.00 52.55 52.94 1yaj s ASP 409 Cb 0.34 -0.53 1.58 0.00 -0.30 0.00 0.00 42.92 44.01 1yaj s ASP 409 CO -0.13 -0.33 1.76 0.71 -0.17 0.00 0.00 175.17 177.01 1yaj h THR 410 N 6.49 0.34 0.00 1.71 1.35 -1.95 -0.54 112.91 120.30 1yaj h THR 410 Ca -0.16 -0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.70 1yaj h THR 410 Cb 1.11 0.33 0.00 0.00 -1.73 0.00 0.00 68.15 67.86 1yaj h THR 410 CO 0.35 0.00 0.00 0.52 -0.25 0.00 0.00 175.52 176.14 1yaj n VAL 411 N -4.15 0.00 0.11 6.82 0.31 -1.26 -1.36 118.33 118.80 1yaj n VAL 411 Ca 0.29 1.15 0.20 0.00 -0.01 0.00 0.00 64.34 65.97 1yaj n VAL 411 Cb 1.38 -2.10 0.72 0.00 -0.91 0.00 0.00 33.84 32.93 1yaj n VAL 411 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1yaj h LYS 412 N 0.00 0.00 0.59 5.55 1.57 -1.77 -1.78 116.57 120.74 1yaj h LYS 412 Ca 0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1yaj h LYS 412 Cb 0.00 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.32 1yaj h LYS 412 CO 0.00 0.00 -0.29 0.87 -0.57 0.00 0.00 179.45 179.46 1yaj h LYS 413 N 0.00 -0.77 -0.31 3.15 1.57 -1.04 -2.04 116.57 117.13 1yaj h LYS 413 Ca 0.18 0.05 0.03 0.00 -1.87 0.00 0.00 60.65 59.04 1yaj h LYS 413 Cb 1.17 0.17 -0.04 0.00 0.08 0.00 0.00 32.23 33.62 1yaj h LYS 413 CO -0.00 -0.51 -0.18 1.17 -0.57 0.00 0.00 179.45 179.35 1yaj n LYS 414 N -4.67 -0.14 -0.28 3.15 4.81 -0.67 0.23 118.16 120.59 1yaj n LYS 414 Ca -0.10 0.98 0.23 0.00 -0.87 0.00 0.00 58.31 58.55 1yaj n LYS 414 Cb 0.31 -1.45 0.54 0.00 0.02 0.00 0.00 35.03 34.45 1yaj n LYS 414 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 1yaj h ASP 415 N 0.00 0.37 -0.39 3.14 3.32 -1.62 0.33 116.42 121.56 1yaj h ASP 415 Ca 0.05 0.05 -0.13 0.00 0.02 0.00 0.00 57.03 57.03 1yaj h ASP 415 Cb 0.13 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 1yaj h ASP 415 CO -0.29 0.11 -0.25 -0.07 -1.72 0.00 0.00 179.24 177.02 1yaj h LEU 416 N 0.34 0.90 -0.64 1.55 3.38 0.37 -0.66 115.31 120.55 1yaj h LEU 416 Ca 0.53 -0.42 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1yaj h LEU 416 Cb 1.44 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.91 1yaj h LEU 416 CO -0.20 1.13 0.32 0.15 0.09 0.00 0.00 178.44 179.93 1yaj h PHE 417 N 0.67 0.90 -0.82 1.13 3.57 0.39 0.79 116.94 123.57 1yaj h PHE 417 Ca 0.08 -0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.50 1yaj h PHE 417 Cb 0.82 -0.28 -0.04 0.00 2.79 0.00 0.00 35.95 39.24 1yaj h PHE 417 CO 0.06 0.67 0.36 -0.07 -2.23 0.00 0.00 178.31 177.09 1yaj h LEU 418 N 0.87 1.11 -1.71 0.59 3.38 -1.04 0.46 115.31 118.98 1yaj h LEU 418 Ca 0.22 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 1yaj h LEU 418 Cb 0.09 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1yaj h LEU 418 CO -0.03 0.97 -0.18 0.44 0.09 0.00 0.00 178.44 179.73 1yaj h ASP 419 N 1.19 0.00 0.12 -0.43 3.32 -0.47 -1.70 116.42 118.45 1yaj h ASP 419 Ca 0.28 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.32 1yaj h ASP 419 Cb 0.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.73 1yaj h ASP 419 CO -0.03 0.18 -0.06 0.25 -1.72 0.00 0.00 179.24 177.86 1yaj h LEU 420 N 0.00 -0.13 -0.33 1.55 7.12 0.13 -2.79 115.31 120.86 1yaj h LEU 420 Ca -0.00 -0.35 -0.00 0.00 0.13 0.00 0.00 57.88 57.65 1yaj h LEU 420 Cb 0.41 0.03 -0.02 0.00 -0.53 0.00 0.00 40.66 40.56 1yaj h LEU 420 CO 0.02 0.31 0.19 0.40 -0.13 0.00 0.00 178.44 179.24 1yaj h ILE 421 N -0.61 1.12 -0.57 4.05 2.04 -0.96 -3.00 117.51 119.59 1yaj h ILE 421 Ca -0.02 -0.30 0.09 0.00 1.00 0.00 0.00 64.86 65.63 1yaj h ILE 421 Cb 0.48 0.73 -0.07 0.00 -0.74 0.00 0.00 36.82 37.22 1yaj h ILE 421 CO 0.03 0.12 0.19 0.00 0.00 0.00 0.00 178.15 178.48 1yaj h ALA 422 N 1.07 0.71 -0.86 1.87 0.00 -1.37 0.09 119.26 120.76 1yaj h ALA 422 Ca 0.12 0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.17 1yaj h ALA 422 Cb 0.03 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 1yaj h ALA 422 CO -0.02 -0.23 0.56 -0.44 0.00 0.00 0.00 179.25 179.13 1yaj h ASP 423 N 0.35 0.87 0.61 0.00 5.19 -1.36 -1.02 116.42 121.06 1yaj h ASP 423 Ca 0.29 0.00 -0.24 0.00 -0.62 0.00 0.00 57.03 56.46 1yaj h ASP 423 Cb 0.36 -0.19 -0.00 0.00 0.18 0.00 0.00 39.33 39.68 1yaj h ASP 423 CO -0.31 0.57 -1.07 0.58 -3.12 0.00 0.00 179.24 175.89 1yaj h VAL 424 N 1.00 1.51 0.07 -1.35 2.07 -0.99 0.13 116.25 118.68 1yaj h VAL 424 Ca 0.37 -2.88 -0.14 0.00 0.82 0.00 0.00 66.70 64.86 1yaj h VAL 424 Cb 0.16 2.72 0.01 0.00 -1.52 0.00 0.00 31.29 32.67 1yaj h VAL 424 CO -0.13 0.84 -0.58 0.24 0.02 0.00 0.00 177.57 177.97 1yaj h MET 425 N 0.10 0.26 0.00 1.57 2.86 -0.81 -3.42 114.93 115.49 1yaj h MET 425 Ca -0.09 -0.38 0.00 0.00 -2.06 0.00 0.00 59.70 57.17 1yaj h MET 425 Cb 1.76 0.13 0.00 0.00 0.06 0.00 0.00 31.60 33.56 1yaj h MET 425 CO 0.17 1.14 -0.09 1.19 1.06 0.00 0.00 176.91 180.37 1yaj n PHE 426 N -4.26 0.00 0.00 -0.22 3.01 -0.42 -4.62 117.46 110.94 1yaj n PHE 426 Ca -0.12 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.34 1yaj n PHE 426 Cb 0.70 -0.05 0.00 0.00 -0.01 0.00 0.00 39.48 40.12 1yaj n PHE 426 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1yaj n GLY 427 N 3.17 -0.88 0.24 1.37 0.00 -1.00 0.34 105.19 108.43 1yaj n GLY 427 Ca -0.01 0.19 -0.05 0.00 0.00 0.00 0.00 46.02 46.15 1yaj n GLY 427 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1yaj h VAL 428 N 0.00 0.42 -0.93 1.61 2.07 -1.02 -0.40 116.25 118.00 1yaj h VAL 428 Ca 0.00 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.56 1yaj h VAL 428 Cb 0.00 0.42 -0.06 0.00 -1.52 0.00 0.00 31.29 30.14 1yaj h VAL 428 CO 0.00 0.00 0.60 -0.65 0.02 0.00 0.00 177.57 177.54 1yaj h PRO 429 N -0.09 1.11 0.39 1.57 0.11 -1.66 -1.47 132.00 131.95 1yaj h PRO 429 Ca 0.21 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 66.24 1yaj h PRO 429 Cb 0.42 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 31.28 1yaj h PRO 429 CO -0.50 0.74 -0.19 0.77 -0.21 0.00 0.00 178.00 178.61 1yaj h SER 430 N 1.15 -0.44 -0.99 -2.05 0.02 0.33 -2.56 113.55 109.02 1yaj h SER 430 Ca 0.38 -0.13 0.20 0.00 -0.84 0.00 0.00 61.79 61.40 1yaj h SER 430 Cb 0.05 0.11 -0.11 0.00 0.14 0.00 0.00 62.40 62.59 1yaj h SER 430 CO -0.13 -0.02 0.58 0.58 -1.14 0.00 0.00 176.83 176.69 1yaj h VAL 431 N -0.96 0.65 -0.11 2.27 2.07 -0.98 -0.28 116.25 118.92 1yaj h VAL 431 Ca -0.05 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 67.23 1yaj h VAL 431 Cb 0.54 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 1yaj h VAL 431 CO 0.09 0.13 0.06 0.40 0.02 0.00 0.00 177.57 178.26 1yaj h ILE 432 N 0.69 1.09 -1.01 4.57 2.04 -1.25 -0.21 117.51 123.44 1yaj h ILE 432 Ca 0.59 -0.26 0.17 0.00 1.00 0.00 0.00 64.86 66.36 1yaj h ILE 432 Cb 0.97 1.07 -0.10 0.00 -0.74 0.00 0.00 36.82 38.02 1yaj h ILE 432 CO -0.41 0.08 0.62 0.58 0.00 0.00 0.00 178.15 179.02 1yaj h VAL 433 N 0.07 0.75 0.30 1.67 2.07 -0.64 0.61 116.25 121.09 1yaj h VAL 433 Ca 0.04 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 1yaj h VAL 433 Cb 0.08 -0.14 0.00 0.00 -1.52 0.00 0.00 31.29 29.72 1yaj h VAL 433 CO -0.01 0.15 -0.14 0.00 0.02 0.00 0.00 177.57 177.59 1yaj h ALA 434 N 1.62 -0.40 -0.64 1.67 0.00 -1.02 -1.84 119.26 118.66 1yaj h ALA 434 Ca 0.56 -0.19 0.14 0.00 0.00 0.00 0.00 54.91 55.42 1yaj h ALA 434 Cb 0.81 0.15 -0.11 0.00 0.00 0.00 0.00 17.79 18.64 1yaj h ALA 434 CO -0.36 -0.52 -0.04 0.00 0.00 0.00 0.00 179.25 178.34 1yaj h ARG 435 N -0.81 0.08 0.00 0.00 3.08 0.10 0.36 114.38 117.18 1yaj h ARG 435 Ca -0.04 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 1yaj h ARG 435 Cb 0.51 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.54 1yaj h ARG 435 CO 0.07 0.05 -0.10 -0.91 -1.07 0.00 0.00 179.97 178.01 1yaj h ASN 436 N 0.08 0.00 0.07 7.04 -0.26 -0.91 -1.88 115.58 119.71 1yaj h ASN 436 Ca 0.33 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 56.07 1yaj h ASN 436 Cb 0.54 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.80 1yaj h ASN 436 CO -0.58 0.10 -0.03 -0.74 -1.06 0.00 0.00 177.43 175.11 1yaj h HIS 437 N 0.00 -0.08 -0.86 1.19 2.76 0.53 -3.04 115.15 115.64 1yaj h HIS 437 Ca -0.00 -0.00 0.18 0.00 -2.20 0.00 0.00 60.37 58.34 1yaj h HIS 437 Cb 0.41 0.03 -0.11 0.00 1.55 0.00 0.00 27.41 29.29 1yaj h HIS 437 CO 0.00 0.49 0.41 -0.09 -1.30 0.00 0.00 177.93 177.44 1yaj h ARG 438 N -0.77 0.50 -0.28 5.26 2.43 -0.71 0.19 114.38 121.01 1yaj h ARG 438 Ca -0.01 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1yaj h ARG 438 Cb 0.61 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 1yaj h ARG 438 CO 0.01 0.33 0.15 -0.44 -1.51 0.00 0.00 179.97 178.52 1yaj h ASP 439 N 0.52 0.33 0.00 -3.80 3.32 -1.37 0.36 116.42 115.78 1yaj h ASP 439 Ca 0.50 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.53 1yaj h ASP 439 Cb 0.82 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.29 1yaj h ASP 439 CO -0.43 0.27 0.00 0.00 -1.72 0.00 0.00 179.24 177.35 1yaj n ALA 440 N -2.49 2.25 -2.35 3.45 0.00 0.67 -4.82 120.51 117.22 1yaj n ALA 440 Ca 0.01 -0.11 -0.09 0.00 0.00 0.00 0.00 53.44 53.25 1yaj n ALA 440 Cb 0.09 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.26 1yaj n ALA 440 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yaj n GLY 441 N 0.27 0.08 3.69 0.00 0.00 0.13 -5.02 105.19 104.34 1yaj n GLY 441 Ca 0.13 -0.46 -0.31 0.00 0.00 0.00 0.00 46.02 45.38 1yaj n GLY 441 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yaj s ALA 442 N -2.60 3.31 0.10 4.61 0.00 -1.20 -5.05 121.76 120.93 1yaj s ALA 442 Ca 0.06 -1.07 -0.33 0.00 0.00 0.00 0.00 51.96 50.62 1yaj s ALA 442 Cb -0.02 -1.25 -0.12 0.00 0.00 0.00 0.00 23.12 21.72 1yaj s ALA 442 CO 0.07 0.69 1.73 -2.30 0.00 0.00 0.00 175.76 175.95 1yaj n PRO 443 N 0.77 2.37 -4.23 0.00 -0.02 -1.26 -4.34 135.00 128.29 1yaj n PRO 443 Ca -0.11 0.86 -0.17 0.00 -2.02 0.00 0.00 63.50 62.06 1yaj n PRO 443 Cb 0.52 -2.69 -0.13 0.00 -0.02 0.00 0.00 33.50 31.18 1yaj n PRO 443 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1yaj s THR 444 N 2.14 0.74 -0.04 3.45 2.01 -1.26 -1.89 115.64 120.78 1yaj s THR 444 Ca 0.83 -0.77 -0.05 0.00 0.31 0.00 0.00 61.69 62.01 1yaj s THR 444 Cb -0.62 -0.69 0.01 0.00 0.01 0.00 0.00 72.50 71.21 1yaj s THR 444 CO 0.40 -0.06 0.13 -0.31 -0.69 0.00 0.00 174.62 174.10 1yaj s TYR 445 N -0.76 -0.12 0.22 4.92 2.02 -0.86 -0.11 117.35 122.66 1yaj s TYR 445 Ca -0.01 0.29 0.06 0.00 -0.37 0.00 0.00 57.07 57.03 1yaj s TYR 445 Cb -0.07 0.04 -0.05 0.00 -0.40 0.00 0.00 41.96 41.48 1yaj s TYR 445 CO 0.00 -0.10 -0.07 -1.64 -1.57 0.00 0.00 175.55 172.17 1yaj s MET 446 N -0.12 1.33 0.05 -0.62 -1.94 -1.26 -2.04 119.30 114.69 1yaj s MET 446 Ca -0.02 -1.63 -0.18 0.00 -1.71 0.00 0.00 55.69 52.15 1yaj s MET 446 Cb -0.02 -0.87 0.03 0.00 2.01 0.00 0.00 34.83 35.98 1yaj s MET 446 CO 0.00 0.04 0.40 1.52 -0.01 0.00 0.00 175.02 176.98 1yaj s TYR 447 N -3.19 -0.25 -0.15 -0.03 1.13 -1.06 -2.22 117.35 111.58 1yaj s TYR 447 Ca 0.25 0.18 -0.01 0.00 -1.41 0.00 0.00 57.07 56.08 1yaj s TYR 447 Cb 0.03 0.21 0.04 0.00 -1.10 0.00 0.00 41.96 41.14 1yaj s TYR 447 CO 0.07 -0.58 -0.03 -2.00 -2.51 0.00 0.00 175.55 170.51 1yaj s GLU 448 N -2.57 1.15 -0.00 -3.49 2.12 -0.66 -1.21 118.70 114.03 1yaj s GLU 448 Ca -0.05 -0.37 -0.23 0.00 0.36 0.00 0.00 54.97 54.68 1yaj s GLU 448 Cb -0.01 -1.81 -0.05 0.00 0.26 0.00 0.00 34.13 32.53 1yaj s GLU 448 CO -0.03 -0.44 0.71 0.12 -0.54 0.00 0.00 175.26 175.08 1yaj s PHE 449 N 1.74 3.67 -0.42 5.30 5.36 0.24 -1.95 117.98 131.92 1yaj s PHE 449 Ca 0.01 1.34 0.05 0.00 -0.96 0.00 0.00 56.93 57.38 1yaj s PHE 449 Cb -0.15 -2.77 0.19 0.00 -0.34 0.00 0.00 43.02 39.96 1yaj s PHE 449 CO -0.07 0.23 0.43 0.00 -1.46 0.00 0.00 175.22 174.35 1yaj n GLN 450 N 3.09 0.33 -3.74 10.12 10.64 -0.79 -0.30 117.38 136.72 1yaj n GLN 450 Ca -0.03 -3.04 -0.14 0.00 -1.83 0.00 0.00 57.00 51.97 1yaj n GLN 450 Cb 0.51 -1.56 -0.08 0.00 -0.86 0.00 0.00 30.24 28.25 1yaj n GLN 450 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.06 174.76 1yaj s TYR 451 N -0.09 -0.21 -0.34 2.61 5.04 -1.26 -4.36 117.35 118.74 1yaj s TYR 451 Ca 0.33 0.33 -0.00 0.00 -2.44 0.00 0.00 57.07 55.29 1yaj s TYR 451 Cb 0.07 0.12 0.08 0.00 0.35 0.00 0.00 41.96 42.57 1yaj s TYR 451 CO -0.17 -0.40 0.06 0.50 -1.34 0.00 0.00 175.55 174.20 1yaj s ARG 452 N -1.29 2.08 0.54 4.97 3.52 -1.26 -2.19 118.95 125.33 1yaj s ARG 452 Ca -0.13 -1.57 -0.20 0.00 -0.13 0.00 0.00 55.73 53.71 1yaj s ARG 452 Cb -0.05 -3.27 -0.06 0.00 -1.56 0.00 0.00 34.95 30.02 1yaj s ARG 452 CO 0.05 -0.81 1.15 -1.25 -0.81 0.00 0.00 175.30 173.63 1yaj s PRO 453 N 1.13 3.32 0.22 5.12 0.04 -1.26 -4.92 135.00 138.65 1yaj s PRO 453 Ca 0.02 1.68 0.23 0.00 0.04 0.00 0.00 61.00 62.97 1yaj s PRO 453 Cb -0.21 -2.04 0.93 0.00 0.04 0.00 0.00 34.50 33.23 1yaj s PRO 453 CO -0.04 -0.89 1.68 -1.13 0.04 0.00 0.00 177.00 176.67 1yaj n SER 454 N -1.26 0.59 -1.40 6.66 3.41 -1.26 -3.09 113.62 117.27 1yaj n SER 454 Ca 0.11 0.64 -0.07 0.00 -0.26 0.00 0.00 58.87 59.29 1yaj n SER 454 Cb 0.50 -0.77 0.08 0.00 -0.26 0.00 0.00 64.21 63.77 1yaj n SER 454 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1yaj n PHE 455 N -2.14 1.12 -2.17 7.33 3.01 -1.26 -4.93 117.46 118.42 1yaj n PHE 455 Ca 0.02 -0.90 -0.28 0.00 1.01 0.00 0.00 57.45 57.30 1yaj n PHE 455 Cb 0.23 -0.48 0.04 0.00 -0.01 0.00 0.00 39.48 39.26 1yaj n PHE 455 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 1yaj s SER 456 N 0.05 5.54 0.43 4.37 0.01 -1.18 -5.04 113.70 117.87 1yaj s SER 456 Ca 0.22 0.91 -0.25 0.00 1.31 0.00 0.00 55.95 58.14 1yaj s SER 456 Cb 0.18 -1.82 -0.08 0.00 0.21 0.00 0.00 66.02 64.52 1yaj s SER 456 CO 0.05 -1.18 1.22 -0.55 0.41 0.00 0.00 173.24 173.19 1yaj s SER 457 N -4.33 6.26 0.45 2.44 0.15 -1.26 -4.92 113.70 112.49 1yaj s SER 457 Ca 0.56 2.46 0.13 0.00 0.70 0.00 0.00 55.95 59.79 1yaj s SER 457 Cb -0.11 -2.62 1.05 0.00 -1.71 0.00 0.00 66.02 62.63 1yaj s SER 457 CO 0.48 -0.86 2.03 0.44 1.20 0.00 0.00 173.24 176.53 1yaj h ASP 458 N 2.39 0.31 -0.00 5.45 3.32 -1.99 0.34 116.42 126.25 1yaj h ASP 458 Ca -0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 1yaj h ASP 458 Cb 1.25 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.73 1yaj h ASP 458 CO 0.61 0.20 0.00 0.23 -1.72 0.00 0.00 179.24 178.57 1yaj n MET 459 N -4.47 1.07 -2.82 3.56 2.81 -1.26 -4.76 117.12 111.25 1yaj n MET 459 Ca 0.06 -0.10 -0.43 0.00 -1.81 0.00 0.00 57.70 55.42 1yaj n MET 459 Cb 0.26 -1.47 -0.04 0.00 -0.71 0.00 0.00 33.22 31.26 1yaj n MET 459 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 1yaj s LYS 460 N -2.00 3.46 0.22 0.03 2.20 0.11 -5.00 119.74 118.76 1yaj s LYS 460 Ca 0.45 0.01 -0.31 0.00 -0.36 0.00 0.00 55.97 55.76 1yaj s LYS 460 Cb 0.21 -3.97 -0.14 0.00 -1.51 0.00 0.00 37.83 32.41 1yaj s LYS 460 CO 0.35 -1.33 1.23 -0.35 -0.36 0.00 0.00 175.35 174.88 1yaj n PRO 461 N 7.31 1.54 0.00 4.03 -0.04 -1.26 -4.80 135.00 141.78 1yaj n PRO 461 Ca 0.05 0.55 0.06 0.00 -0.04 0.00 0.00 63.50 64.12 1yaj n PRO 461 Cb 0.48 -2.08 0.38 0.00 -0.04 0.00 0.00 33.50 32.24 1yaj n PRO 461 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1yaj n LYS 462 N 1.63 0.44 0.13 0.54 5.02 -1.26 -1.92 118.16 122.73 1yaj n LYS 462 Ca 0.12 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.49 1yaj n LYS 462 Cb 0.29 -1.46 0.03 0.00 -0.02 0.00 0.00 35.03 33.87 1yaj n LYS 462 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 1yaj h THR 463 N 0.00 0.27 -3.12 -0.18 1.35 -2.03 -3.45 112.91 105.75 1yaj h THR 463 Ca 0.00 -1.43 -0.57 0.00 -0.55 0.00 0.00 66.41 63.86 1yaj h THR 463 Cb 0.00 1.92 -0.05 0.00 -1.73 0.00 0.00 68.15 68.29 1yaj h THR 463 CO 0.00 0.15 0.74 -0.69 -0.25 0.00 0.00 175.52 175.47 1yaj s VAL 464 N -3.16 4.68 -0.24 6.82 1.01 -0.81 -5.02 120.40 123.68 1yaj s VAL 464 Ca 0.02 2.00 -0.00 0.00 0.00 0.00 0.00 61.98 64.00 1yaj s VAL 464 Cb 0.08 -4.29 0.07 0.00 0.00 0.00 0.00 36.38 32.23 1yaj s VAL 464 CO 0.75 -0.13 -0.01 -0.63 0.00 0.00 0.00 175.10 175.09 1yaj s ILE 465 N 2.89 1.22 0.00 2.22 1.01 -1.26 -4.73 121.20 122.54 1yaj s ILE 465 Ca 0.46 -1.10 0.00 0.00 0.00 0.00 0.00 60.65 60.01 1yaj s ILE 465 Cb -0.16 -1.61 0.00 0.00 0.01 0.00 0.00 42.46 40.70 1yaj s ILE 465 CO 0.10 -0.21 0.00 0.61 0.00 0.00 0.00 174.94 175.44 1yaj n GLY 466 N 4.78 1.70 3.40 6.18 0.00 -0.93 -4.20 105.19 116.11 1yaj n GLY 466 Ca -0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.62 1yaj n GLY 466 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1yaj n ASP 467 N 0.00 -1.88 -4.65 1.61 2.03 -1.25 -1.92 116.55 110.50 1yaj n ASP 467 Ca 0.00 -0.04 -0.42 0.00 0.52 0.00 0.00 54.79 54.85 1yaj n ASP 467 Cb 0.00 -1.15 -0.03 0.00 -0.72 0.00 0.00 41.12 39.22 1yaj n ASP 467 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 1yaj s HIS 468 N -2.35 1.28 0.00 -0.67 5.04 -1.12 -2.49 115.29 114.97 1yaj s HIS 468 Ca 0.62 -0.34 0.00 0.00 -1.54 0.00 0.00 55.06 53.80 1yaj s HIS 468 Cb -0.19 -4.21 0.00 0.00 0.04 0.00 0.00 32.58 28.22 1yaj s HIS 468 CO 0.65 -5.38 0.00 0.41 -2.34 0.00 0.00 174.74 168.08 1yaj n GLY 469 N 4.67 0.70 0.25 1.59 0.00 -1.26 -4.87 105.19 106.26 1yaj n GLY 469 Ca 0.21 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.35 1yaj n GLY 469 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1yaj h ASP 470 N 0.00 0.00 1.38 1.61 3.32 -1.81 -2.30 116.42 118.63 1yaj h ASP 470 Ca 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1yaj h ASP 470 Cb 0.00 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 1yaj h ASP 470 CO 0.00 0.15 -0.10 1.05 -1.72 0.00 0.00 179.24 178.63 1yaj h GLU 471 N 0.00 0.00 -0.76 3.56 9.09 -1.91 -3.25 114.58 121.31 1yaj h GLU 471 Ca -0.00 0.00 0.15 0.00 0.05 0.00 0.00 59.36 59.56 1yaj h GLU 471 Cb 0.52 0.00 -0.10 0.00 -1.65 0.00 0.00 28.75 27.52 1yaj h GLU 471 CO 0.02 0.10 0.30 -0.07 0.05 0.00 0.00 179.01 179.40 1yaj h LEU 472 N 0.00 0.26 -0.47 3.06 3.38 -1.80 0.10 115.31 119.83 1yaj h LEU 472 Ca -0.00 0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1yaj h LEU 472 Cb 0.81 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 1yaj h LEU 472 CO 0.01 0.09 0.24 -0.26 0.09 0.00 0.00 178.44 178.61 1yaj h PHE 473 N 0.43 0.67 0.13 1.13 -1.00 -1.75 -1.03 116.94 115.52 1yaj h PHE 473 Ca 0.42 -0.03 -0.01 0.00 2.81 0.00 0.00 57.97 61.17 1yaj h PHE 473 Cb 0.66 -0.21 0.00 0.00 3.61 0.00 0.00 35.95 40.01 1yaj h PHE 473 CO -0.17 0.53 -0.06 0.77 -1.61 0.00 0.00 178.31 177.76 1yaj h SER 474 N 0.62 -0.15 -0.11 2.17 0.02 -1.26 0.26 113.55 115.11 1yaj h SER 474 Ca 0.16 -0.14 0.04 0.00 -0.84 0.00 0.00 61.79 61.01 1yaj h SER 474 Cb 0.10 0.04 -0.05 0.00 0.14 0.00 0.00 62.40 62.63 1yaj h SER 474 CO -0.02 0.05 -0.22 0.58 -1.14 0.00 0.00 176.83 176.08 1yaj h VAL 475 N -0.35 0.46 -0.21 2.27 2.07 -0.77 -2.42 116.25 117.30 1yaj h VAL 475 Ca -0.02 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 1yaj h VAL 475 Cb 0.28 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 1yaj h VAL 475 CO 0.03 0.00 0.03 0.49 0.02 0.00 0.00 177.57 178.14 1yaj n PHE 476 N -5.35 0.74 -3.81 1.57 3.01 -0.40 -4.60 117.46 108.60 1yaj n PHE 476 Ca -0.03 -0.34 -0.36 0.00 1.01 0.00 0.00 57.45 57.74 1yaj n PHE 476 Cb 0.27 -0.27 0.03 0.00 -0.01 0.00 0.00 39.48 39.50 1yaj n PHE 476 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1yaj n GLY 477 N 0.17 -0.90 0.27 1.37 0.00 -0.79 -4.32 105.19 100.99 1yaj n GLY 477 Ca 0.11 0.40 -0.09 0.00 0.00 0.00 0.00 46.02 46.44 1yaj n GLY 477 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yaj h ALA 478 N 1.06 0.74 -1.17 4.61 0.00 -1.21 -2.73 119.26 120.56 1yaj h ALA 478 Ca -0.68 -0.26 0.34 0.00 0.00 0.00 0.00 54.91 54.31 1yaj h ALA 478 Cb 1.38 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.91 1yaj h ALA 478 CO 0.50 0.51 0.95 -1.35 0.00 0.00 0.00 179.25 179.86 1yaj h PRO 479 N 0.83 0.00 -0.01 0.00 0.11 -1.84 0.81 132.00 131.90 1yaj h PRO 479 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1yaj h PRO 479 Cb 0.45 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.56 1yaj h PRO 479 CO 0.02 0.00 -0.22 1.19 -0.21 0.00 0.00 178.00 178.77 1yaj n PHE 480 N -3.89 0.00 -0.02 0.65 3.01 -1.03 -4.26 117.46 111.92 1yaj n PHE 480 Ca 0.25 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.70 1yaj n PHE 480 Cb 1.32 -0.05 -0.04 0.00 -0.01 0.00 0.00 39.48 40.71 1yaj n PHE 480 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1yaj n LEU 481 N -0.04 0.00 -4.79 4.37 4.77 0.24 -4.98 117.00 116.57 1yaj n LEU 481 Ca 0.13 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.76 1yaj n LEU 481 Cb 0.41 0.10 -0.07 0.00 -2.33 0.00 0.00 43.42 41.53 1yaj n LEU 481 CO 0.23 0.10 -0.24 -0.54 -1.33 0.00 0.00 177.39 175.61 1yaj s LYS 482 N -2.17 3.19 0.52 3.23 1.02 0.91 -2.80 119.74 123.64 1yaj s LYS 482 Ca -0.02 -0.32 -0.18 0.00 0.02 0.00 0.00 55.97 55.48 1yaj s LYS 482 Cb 0.02 -2.97 -0.07 0.00 -0.52 0.00 0.00 37.83 34.29 1yaj s LYS 482 CO 0.21 0.72 1.01 -1.21 -0.92 0.00 0.00 175.35 175.15 1yaj s GLU 483 N -1.16 3.81 -0.15 1.68 2.02 -1.26 -4.69 118.70 118.94 1yaj s GLU 483 Ca 0.16 1.10 -0.09 0.00 0.02 0.00 0.00 54.97 56.17 1yaj s GLU 483 Cb -0.12 -2.11 0.03 0.00 0.10 0.00 0.00 34.13 32.04 1yaj s GLU 483 CO 0.06 -0.40 0.17 0.41 0.02 0.00 0.00 175.26 175.53 1yaj n GLY 484 N -1.10 -4.68 3.27 -1.39 0.00 -1.26 -5.09 105.19 94.93 1yaj n GLY 484 Ca 0.08 1.21 -0.10 0.00 0.00 0.00 0.00 46.02 47.20 1yaj n GLY 484 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yaj s ALA 485 N -0.59 -1.04 0.28 4.61 0.00 -1.26 -5.00 121.76 118.77 1yaj s ALA 485 Ca -0.20 1.51 -0.30 0.00 0.00 0.00 0.00 51.96 52.97 1yaj s ALA 485 Cb 0.01 -0.92 -0.12 0.00 0.00 0.00 0.00 23.12 22.10 1yaj s ALA 485 CO 0.61 -0.26 1.62 -1.13 0.00 0.00 0.00 175.76 176.60 1yaj n SER 486 N 4.25 3.92 -0.40 0.00 3.41 -1.26 -4.82 113.62 118.72 1yaj n SER 486 Ca -0.23 1.13 0.34 0.00 -0.26 0.00 0.00 58.87 59.85 1yaj n SER 486 Cb 0.55 -1.60 0.66 0.00 -0.26 0.00 0.00 64.21 63.56 1yaj n SER 486 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1yaj h GLU 487 N 5.10 0.14 -0.48 4.33 4.57 -2.01 0.95 114.58 127.18 1yaj h GLU 487 Ca -0.46 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 57.68 1yaj h GLU 487 Cb 1.22 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.75 1yaj h GLU 487 CO 0.82 0.09 0.18 1.49 -1.18 0.00 0.00 179.01 180.41 1yaj h GLU 488 N 0.14 0.70 0.00 1.92 4.81 -1.99 -0.70 114.58 119.45 1yaj h GLU 488 Ca 0.69 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.81 1yaj h GLU 488 Cb 2.30 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 31.55 1yaj h GLU 488 CO -0.21 0.58 0.00 1.49 -0.73 0.00 0.00 179.01 180.15 1yaj h GLU 489 N 0.69 0.00 0.16 1.92 4.81 0.59 -2.19 114.58 120.56 1yaj h GLU 489 Ca 0.17 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 59.06 1yaj h GLU 489 Cb 0.15 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.54 1yaj h GLU 489 CO -0.01 0.00 -1.71 0.82 -0.73 0.00 0.00 179.01 177.37 1yaj h ILE 490 N 0.00 0.97 -0.20 2.32 2.04 -0.69 -3.04 117.51 118.91 1yaj h ILE 490 Ca 0.00 -2.57 -0.10 0.00 1.00 0.00 0.00 64.86 63.18 1yaj h ILE 490 Cb 0.78 2.74 -0.01 0.00 -0.74 0.00 0.00 36.82 39.59 1yaj h ILE 490 CO 0.00 0.84 -0.32 0.03 0.00 0.00 0.00 178.15 178.70 1yaj h ARG 491 N 0.09 0.41 -0.20 2.37 3.08 -1.07 -0.75 114.38 118.32 1yaj h ARG 491 Ca -0.32 -0.17 -0.20 0.00 0.07 0.00 0.00 59.98 59.35 1yaj h ARG 491 Cb 2.08 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 32.12 1yaj h ARG 491 CO 0.17 0.69 -0.65 1.25 -1.07 0.00 0.00 179.97 180.36 1yaj h LEU 492 N 0.36 0.91 -0.52 3.04 5.85 -1.51 -2.16 115.31 121.28 1yaj h LEU 492 Ca 0.04 -0.59 -0.11 0.00 0.84 0.00 0.00 57.88 58.06 1yaj h LEU 492 Cb 0.74 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 1yaj h LEU 492 CO 0.06 1.35 -0.09 -1.28 -0.34 0.00 0.00 178.44 178.14 1yaj h SER 493 N 0.53 0.98 -0.82 1.25 0.87 -1.44 -1.93 113.55 112.98 1yaj h SER 493 Ca -0.03 -0.35 -0.00 0.00 -1.23 0.00 0.00 61.79 60.19 1yaj h SER 493 Cb 1.28 -0.27 -0.04 0.00 -0.44 0.00 0.00 62.40 62.93 1yaj h SER 493 CO 0.14 1.10 0.51 0.11 -0.53 0.00 0.00 176.83 178.15 1yaj h LYS 494 N 0.84 1.10 0.51 2.24 1.57 -1.12 -2.36 116.57 119.35 1yaj h LYS 494 Ca 0.14 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1yaj h LYS 494 Cb 0.65 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1yaj h LYS 494 CO 0.04 0.76 -0.24 1.98 -0.57 0.00 0.00 179.45 181.42 1yaj h MET 495 N 1.12 -0.65 -0.44 3.15 4.05 -1.25 -2.14 114.93 118.76 1yaj h MET 495 Ca 0.30 0.04 0.09 0.00 -0.28 0.00 0.00 59.70 59.85 1yaj h MET 495 Cb -0.07 0.15 -0.08 0.00 -0.80 0.00 0.00 31.60 30.80 1yaj h MET 495 CO -0.06 -0.36 -0.08 0.28 0.23 0.00 0.00 176.91 176.92 1yaj h VAL 496 N -0.88 0.58 -0.95 -5.77 2.07 -1.31 0.88 116.25 110.88 1yaj h VAL 496 Ca -0.07 -0.01 0.03 0.00 0.82 0.00 0.00 66.70 67.48 1yaj h VAL 496 Cb 0.60 0.55 -0.05 0.00 -1.52 0.00 0.00 31.29 30.87 1yaj h VAL 496 CO 0.11 0.00 0.62 0.24 0.02 0.00 0.00 177.57 178.57 1yaj h MET 497 N 0.03 1.16 0.34 1.57 2.07 -1.47 0.77 114.93 119.41 1yaj h MET 497 Ca 0.21 -0.07 -0.02 0.00 -2.07 0.00 0.00 59.70 57.76 1yaj h MET 497 Cb 0.33 -0.26 0.00 0.00 -1.87 0.00 0.00 31.60 29.80 1yaj h MET 497 CO -0.43 0.77 -0.16 0.87 1.07 0.00 0.00 176.91 179.02 1yaj h LYS 498 N 1.20 -0.44 -1.00 1.72 1.79 -0.20 0.90 116.57 120.53 1yaj h LYS 498 Ca 0.37 0.03 0.15 0.00 -2.18 0.00 0.00 60.65 59.03 1yaj h LYS 498 Cb 0.00 0.10 -0.09 0.00 -1.58 0.00 0.00 32.23 30.66 1yaj h LYS 498 CO -0.11 -0.29 0.62 0.74 -1.08 0.00 0.00 179.45 179.33 1yaj h PHE 499 N -0.47 1.11 0.42 -1.35 -1.00 -0.43 0.31 116.94 115.52 1yaj h PHE 499 Ca -0.05 0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.75 1yaj h PHE 499 Cb 0.36 -0.34 0.00 0.00 3.61 0.00 0.00 35.95 39.58 1yaj h PHE 499 CO -0.05 0.36 -0.20 -1.49 -1.61 0.00 0.00 178.31 175.32 1yaj h TRP 500 N 0.89 -0.52 -0.37 -0.55 -0.00 -0.51 -0.87 115.95 114.01 1yaj h TRP 500 Ca 0.53 -0.01 0.08 0.00 -0.00 0.00 0.00 58.89 59.49 1yaj h TRP 500 Cb 0.67 0.17 -0.08 0.00 -0.00 0.00 0.00 29.16 29.93 1yaj h TRP 500 CO -0.00 -0.28 -0.16 0.00 -0.00 0.00 0.00 178.44 178.00 1yaj h ALA 501 N -1.02 0.13 -0.93 1.49 0.00 -0.63 0.59 119.26 118.89 1yaj h ALA 501 Ca -0.06 0.14 0.18 0.00 0.00 0.00 0.00 54.91 55.17 1yaj h ALA 501 Cb 0.48 0.40 -0.08 0.00 0.00 0.00 0.00 17.79 18.60 1yaj h ALA 501 CO 0.10 -0.53 0.60 -0.91 0.00 0.00 0.00 179.25 178.50 1yaj h ASN 502 N -0.09 0.61 -0.49 0.00 2.35 -0.43 0.21 115.58 117.73 1yaj h ASN 502 Ca 0.19 0.05 -0.13 0.00 -0.55 0.00 0.00 56.30 55.86 1yaj h ASN 502 Cb 0.38 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.67 1yaj h ASN 502 CO -0.43 0.26 -0.19 0.15 -1.65 0.00 0.00 177.43 175.57 1yaj h PHE 503 N 0.62 1.14 -0.16 1.19 3.57 0.56 -2.20 116.94 121.65 1yaj h PHE 503 Ca 0.49 -0.27 -0.14 0.00 3.53 0.00 0.00 57.97 61.59 1yaj h PHE 503 Cb 0.92 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.38 1yaj h PHE 503 CO -0.00 1.09 -0.48 0.00 -2.23 0.00 0.00 178.31 176.68 1yaj h ALA 504 N 0.88 0.86 -0.09 2.41 0.00 0.02 0.38 119.26 123.71 1yaj h ALA 504 Ca 0.12 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1yaj h ALA 504 Cb 0.77 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1yaj h ALA 504 CO 0.06 0.66 0.00 0.54 0.00 0.00 0.00 179.25 180.51 1yaj n ARG 505 N -3.98 0.00 0.02 0.00 1.74 0.60 -4.40 116.66 110.64 1yaj n ARG 505 Ca -0.02 0.48 0.11 0.00 -0.77 0.00 0.00 57.85 57.66 1yaj n ARG 505 Cb 0.55 -1.23 0.09 0.00 -1.02 0.00 0.00 32.46 30.85 1yaj n ARG 505 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1yaj n ASN 506 N -1.95 0.64 0.00 0.55 3.02 -0.84 -4.95 115.26 111.73 1yaj n ASN 506 Ca 0.00 -0.28 0.00 0.00 -0.03 0.00 0.00 54.58 54.27 1yaj n ASN 506 Cb 0.00 0.58 0.00 0.00 -0.61 0.00 0.00 39.78 39.75 1yaj n ASN 506 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1yaj n GLY 507 N 1.42 0.76 3.06 7.41 0.00 0.13 -5.04 105.19 112.93 1yaj n GLY 507 Ca 0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 1yaj n GLY 507 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1yaj s ASN 508 N -2.61 1.82 0.43 1.61 3.84 -1.23 -4.90 114.94 113.90 1yaj s ASN 508 Ca 0.00 -0.30 0.19 0.00 0.21 0.00 0.00 52.86 52.95 1yaj s ASN 508 Cb 0.00 -0.70 0.99 0.00 -0.55 0.00 0.00 41.25 41.00 1yaj s ASN 508 CO 0.00 0.07 1.92 1.55 -2.79 0.00 0.00 177.10 177.85 1yaj h PRO 509 N 6.67 0.00 -7.27 0.43 0.13 -1.78 -3.02 132.00 127.16 1yaj h PRO 509 Ca -0.31 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.32 1yaj h PRO 509 Cb 1.18 0.00 0.18 0.00 0.13 0.00 0.00 31.00 32.49 1yaj h PRO 509 CO 0.48 0.26 0.20 -0.80 -0.23 0.00 0.00 178.00 177.91 1yaj s ASN 510 N -6.61 2.86 0.00 1.44 0.01 -1.26 -4.34 114.94 107.03 1yaj s ASN 510 Ca -0.02 1.83 0.00 0.00 -0.71 0.00 0.00 52.86 53.95 1yaj s ASN 510 Cb 0.14 -2.41 0.00 0.00 0.41 0.00 0.00 41.25 39.38 1yaj s ASN 510 CO 0.67 -3.08 0.00 0.61 -1.51 0.00 0.00 177.10 173.79 1yaj n GLY 511 N -0.19 1.99 3.65 0.66 0.00 -1.26 -4.89 105.19 105.14 1yaj n GLY 511 Ca 0.08 -0.72 -0.54 0.00 0.00 0.00 0.00 46.02 44.85 1yaj n GLY 511 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1yaj n GLU 512 N -0.52 1.27 -0.54 1.61 1.02 -1.26 -2.54 120.64 119.67 1yaj n GLU 512 Ca 0.00 0.46 0.00 0.00 -0.02 0.00 0.00 57.16 57.60 1yaj n GLU 512 Cb 0.00 -2.14 0.00 0.00 -0.02 0.00 0.00 31.44 29.28 1yaj n GLU 512 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1yaj n GLY 513 N 3.36 1.14 2.94 0.62 0.00 -1.26 -5.09 105.19 106.90 1yaj n GLY 513 Ca 0.22 -0.35 -0.12 0.00 0.00 0.00 0.00 46.02 45.77 1yaj n GLY 513 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1yaj s LEU 514 N 0.00 1.79 0.48 0.99 1.43 -1.05 -5.08 118.68 117.23 1yaj s LEU 514 Ca 0.00 0.08 -0.23 0.00 -1.03 0.00 0.00 54.13 52.95 1yaj s LEU 514 Cb 0.00 0.21 -0.08 0.00 0.03 0.00 0.00 46.19 46.35 1yaj s LEU 514 CO 0.00 -0.04 1.08 -2.65 0.23 0.00 0.00 176.35 174.96 1yaj n PRO 515 N 2.93 1.38 -2.18 1.29 -0.02 -1.26 -4.80 135.00 132.35 1yaj n PRO 515 Ca -0.13 0.50 -0.40 0.00 -2.02 0.00 0.00 63.50 61.45 1yaj n PRO 515 Cb 0.59 -2.19 -0.02 0.00 -0.02 0.00 0.00 33.50 31.86 1yaj n PRO 515 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1yaj s HIS 516 N -1.33 3.13 -0.30 6.00 2.46 -1.26 -4.94 115.29 119.06 1yaj s HIS 516 Ca 0.67 1.47 0.03 0.00 0.47 0.00 0.00 55.06 57.70 1yaj s HIS 516 Cb -0.50 -3.60 0.08 0.00 -0.13 0.00 0.00 32.58 28.44 1yaj s HIS 516 CO 0.54 -1.61 -0.03 -0.46 -2.47 0.00 0.00 174.74 170.71 1yaj s TRP 517 N -1.16 3.44 0.65 3.88 -0.11 -1.26 -4.55 118.94 119.83 1yaj s TRP 517 Ca 0.49 -2.61 -0.16 0.00 1.22 0.00 0.00 56.10 55.03 1yaj s TRP 517 Cb -0.38 -2.38 -0.00 0.00 -1.50 0.00 0.00 33.47 29.21 1yaj s TRP 517 CO 0.50 -0.91 1.17 -1.25 -4.62 0.00 0.00 176.95 171.84 1yaj s PRO 518 N 1.03 2.69 0.33 5.86 0.04 -1.26 -4.87 135.00 138.83 1yaj s PRO 518 Ca 0.01 1.64 -0.26 0.00 0.04 0.00 0.00 61.00 62.43 1yaj s PRO 518 Cb -0.19 -1.91 -0.10 0.00 0.04 0.00 0.00 34.50 32.33 1yaj s PRO 518 CO -0.07 -1.38 0.96 -2.00 0.04 0.00 0.00 177.00 174.55 1yaj s GLU 519 N -3.75 4.53 -1.31 4.56 2.12 -1.26 -4.53 118.70 119.05 1yaj s GLU 519 Ca 0.73 1.36 -0.11 0.00 0.36 0.00 0.00 54.97 57.31 1yaj s GLU 519 Cb -0.26 -2.77 -0.06 0.00 0.26 0.00 0.00 34.13 31.30 1yaj s GLU 519 CO 0.39 0.22 2.50 0.98 -0.54 0.00 0.00 175.26 178.81 1yaj n TYR 520 N 0.48 2.25 -0.05 5.30 9.36 0.85 -4.02 117.16 131.33 1yaj n TYR 520 Ca 0.02 -2.63 0.00 0.00 3.32 0.00 0.00 57.90 58.61 1yaj n TYR 520 Cb 0.50 -2.19 0.00 0.00 -0.63 0.00 0.00 39.34 37.01 1yaj n TYR 520 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 1yaj n ASN 521 N 4.57 0.00 0.24 2.98 0.23 -1.26 -4.72 115.26 117.29 1yaj n ASN 521 Ca 0.62 0.00 0.12 0.00 -0.53 0.00 0.00 54.58 54.79 1yaj n ASN 521 Cb 0.25 0.00 0.51 0.00 -2.08 0.00 0.00 39.78 38.45 1yaj n ASN 521 CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 1yaj h GLN 522 N 0.00 0.00 0.00 -3.83 1.08 -1.98 -2.22 115.11 108.16 1yaj h GLN 522 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1yaj h GLN 522 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1yaj h GLN 522 CO 0.00 0.16 0.00 1.63 -0.95 0.00 0.00 178.83 179.67 1yaj n LYS 523 N -3.30 0.24 -3.73 1.46 5.02 -1.26 -4.94 118.16 111.66 1yaj n LYS 523 Ca 0.00 0.22 -0.22 0.00 -2.02 0.00 0.00 58.31 56.29 1yaj n LYS 523 Cb 0.40 -1.79 0.03 0.00 -0.02 0.00 0.00 35.03 33.65 1yaj n LYS 523 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1yaj n GLU 524 N -2.22 -4.82 -3.22 1.97 1.02 -0.84 -4.35 120.64 108.18 1yaj n GLU 524 Ca 0.05 0.60 -0.31 0.00 -0.02 0.00 0.00 57.16 57.48 1yaj n GLU 524 Cb 0.41 -5.15 -0.05 0.00 -0.02 0.00 0.00 31.44 26.63 1yaj n GLU 524 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1yaj s GLY 525 N -4.30 2.17 0.28 0.62 0.00 -1.26 -1.34 107.32 103.48 1yaj s GLY 525 Ca 0.04 -0.22 -0.05 0.00 0.00 0.00 0.00 44.72 44.49 1yaj s GLY 525 CO 0.82 -0.06 0.38 -2.52 0.00 0.00 0.00 173.10 171.72 1yaj s TYR 526 N -2.01 0.89 -0.11 1.90 -0.85 -1.07 -3.75 117.35 112.35 1yaj s TYR 526 Ca 0.49 -1.14 -0.04 0.00 -0.52 0.00 0.00 57.07 55.87 1yaj s TYR 526 Cb -0.11 -0.14 -0.03 0.00 0.38 0.00 0.00 41.96 42.06 1yaj s TYR 526 CO 0.23 -0.95 0.03 -1.17 -1.52 0.00 0.00 175.55 172.17 1yaj s LEU 527 N -3.15 3.71 -0.53 -3.49 2.96 -0.94 -1.66 118.68 115.57 1yaj s LEU 527 Ca 0.30 0.16 -0.12 0.00 -0.22 0.00 0.00 54.13 54.26 1yaj s LEU 527 Cb 0.01 -1.87 0.13 0.00 0.50 0.00 0.00 46.19 44.96 1yaj s LEU 527 CO 0.15 0.34 0.44 -1.58 -1.32 0.00 0.00 176.35 174.38 1yaj s GLN 528 N -0.62 2.76 0.14 1.98 0.74 -0.74 -1.66 119.66 122.27 1yaj s GLN 528 Ca 0.11 -1.84 -0.24 0.00 0.05 0.00 0.00 55.36 53.44 1yaj s GLN 528 Cb -0.12 -4.10 -0.08 0.00 1.10 0.00 0.00 33.01 29.82 1yaj s GLN 528 CO 0.02 -1.25 0.72 0.42 -0.55 0.00 0.00 175.29 174.65 1yaj s ILE 529 N 1.28 4.47 -3.46 -2.34 1.01 -0.83 -1.90 121.20 119.44 1yaj s ILE 529 Ca 0.06 1.57 0.00 0.00 0.00 0.00 0.00 60.65 62.28 1yaj s ILE 529 Cb -0.26 -4.07 0.00 0.00 0.01 0.00 0.00 42.46 38.14 1yaj s ILE 529 CO -0.00 0.53 0.00 0.61 0.00 0.00 0.00 174.94 176.08 1yaj n GLY 530 N 1.64 -0.53 0.26 6.18 0.00 -1.26 -1.89 105.19 109.58 1yaj n GLY 530 Ca -0.07 -0.86 0.09 0.00 0.00 0.00 0.00 46.02 45.18 1yaj n GLY 530 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yaj h ALA 531 N 0.00 1.89 -2.86 4.61 0.00 -1.95 -3.31 119.26 117.64 1yaj h ALA 531 Ca 0.00 -0.02 -0.60 0.00 0.00 0.00 0.00 54.91 54.29 1yaj h ALA 531 Cb 0.00 -0.00 -0.40 0.00 0.00 0.00 0.00 17.79 17.39 1yaj h ALA 531 CO 0.00 0.03 -0.78 0.54 0.00 0.00 0.00 179.25 179.04 1yaj s ASN 532 N -6.91 3.43 -0.33 0.00 6.03 -1.26 -5.05 114.94 110.84 1yaj s ASN 532 Ca -0.05 -2.43 -0.29 0.00 -1.03 0.00 0.00 52.86 49.06 1yaj s ASN 532 Cb 0.17 -0.81 0.02 0.00 -3.03 0.00 0.00 41.25 37.60 1yaj s ASN 532 CO 0.65 -0.29 1.09 -0.89 -2.03 0.00 0.00 177.10 175.64 1yaj s THR 533 N 0.66 4.46 -0.03 0.54 2.01 -1.25 -4.86 115.64 117.16 1yaj s THR 533 Ca 0.17 1.67 -0.09 0.00 0.31 0.00 0.00 61.69 63.75 1yaj s THR 533 Cb -0.24 -4.42 0.01 0.00 0.01 0.00 0.00 72.50 67.86 1yaj s THR 533 CO -0.00 -0.53 0.20 0.00 -0.69 0.00 0.00 174.62 173.60 1yaj s GLN 534 N 3.75 0.43 0.49 4.92 0.00 -0.80 -4.90 119.66 123.56 1yaj s GLN 534 Ca 0.46 -0.10 -0.20 0.00 -0.00 0.00 0.00 55.36 55.53 1yaj s GLN 534 Cb -0.12 0.19 -0.08 0.00 0.00 0.00 0.00 33.01 33.00 1yaj s GLN 534 CO 0.17 -0.10 1.03 0.00 0.00 0.00 0.00 175.29 176.40 1yaj s ALA 535 N -0.81 2.88 0.00 2.60 0.00 -1.26 -1.79 121.76 123.37 1yaj s ALA 535 Ca -0.09 0.58 0.00 0.00 0.00 0.00 0.00 51.96 52.45 1yaj s ALA 535 Cb -0.05 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.83 1yaj s ALA 535 CO 0.02 -0.31 0.00 0.00 0.00 0.00 0.00 175.76 175.46 1yaj n ALA 536 N -1.02 0.00 -3.52 0.00 0.00 -0.66 -4.88 120.51 110.43 1yaj n ALA 536 Ca 0.09 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.44 1yaj n ALA 536 Cb 0.53 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.94 1yaj n ALA 536 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1yaj s GLN 537 N 1.27 1.57 -0.99 0.00 -0.21 -1.26 -2.61 119.66 117.44 1yaj s GLN 537 Ca 0.00 -0.96 -0.14 0.00 0.02 0.00 0.00 55.36 54.29 1yaj s GLN 537 Cb 0.00 0.55 0.01 0.00 1.00 0.00 0.00 33.01 34.57 1yaj s GLN 537 CO 0.00 -0.69 0.68 1.63 -2.12 0.00 0.00 175.29 174.79 1yaj n LYS 538 N -0.40 -1.11 -2.31 2.91 5.02 -0.45 -4.86 118.16 116.96 1yaj n LYS 538 Ca -0.07 0.61 -0.42 0.00 -2.02 0.00 0.00 58.31 56.41 1yaj n LYS 538 Cb 0.61 -3.22 -0.03 0.00 -0.02 0.00 0.00 35.03 32.37 1yaj n LYS 538 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1yaj s LEU 539 N -5.83 4.34 -0.10 -0.35 2.96 -1.26 -3.22 118.68 115.22 1yaj s LEU 539 Ca 0.24 2.10 -0.01 0.00 -0.22 0.00 0.00 54.13 56.23 1yaj s LEU 539 Cb -0.11 -3.57 0.01 0.00 0.50 0.00 0.00 46.19 43.02 1yaj s LEU 539 CO 0.89 -0.60 0.03 0.29 -1.32 0.00 0.00 176.35 175.64 1yaj n LYS 540 N 4.48 -2.87 0.21 1.98 4.76 -1.26 -4.76 118.16 120.70 1yaj n LYS 540 Ca 0.11 0.01 0.07 0.00 -2.87 0.00 0.00 58.31 55.62 1yaj n LYS 540 Cb 0.45 -4.51 0.45 0.00 -1.84 0.00 0.00 35.03 29.57 1yaj n LYS 540 CO 0.00 0.00 0.00 0.22 -1.37 0.00 0.00 177.40 176.25 1yaj h ASP 541 N -0.05 0.00 0.31 4.39 1.82 -1.93 -2.97 116.42 117.99 1yaj h ASP 541 Ca -0.03 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.59 1yaj h ASP 541 Cb 1.02 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.03 1yaj h ASP 541 CO 0.05 0.30 -0.15 0.50 -1.61 0.00 0.00 179.24 178.33 1yaj h LYS 542 N 0.00 -0.40 0.10 0.28 3.64 -1.85 -3.26 116.57 115.08 1yaj h LYS 542 Ca -0.00 0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.42 1yaj h LYS 542 Cb 0.67 0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.54 1yaj h LYS 542 CO 0.04 -0.06 -0.28 0.93 -2.27 0.00 0.00 179.45 177.81 1yaj h GLU 543 N -0.83 -0.47 -0.16 1.90 3.07 -1.95 -2.08 114.58 114.06 1yaj h GLU 543 Ca -0.04 0.03 0.01 0.00 -0.50 0.00 0.00 59.36 58.86 1yaj h GLU 543 Cb 0.52 0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 28.51 1yaj h GLU 543 CO 0.07 -0.31 -0.09 0.28 -1.40 0.00 0.00 179.01 177.56 1yaj n VAL 544 N -5.39 -0.11 -0.30 3.13 0.31 -1.13 0.22 118.33 115.07 1yaj n VAL 544 Ca -0.06 1.60 0.16 0.00 -0.01 0.00 0.00 64.34 66.02 1yaj n VAL 544 Cb 0.30 -2.09 0.41 0.00 -0.91 0.00 0.00 33.84 31.55 1yaj n VAL 544 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1yaj h ALA 545 N -0.73 1.93 0.60 3.52 0.00 -1.59 0.20 119.26 123.18 1yaj h ALA 545 Ca 0.03 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1yaj h ALA 545 Cb 0.06 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.80 1yaj h ALA 545 CO -0.15 -0.25 -0.29 0.35 0.00 0.00 0.00 179.25 178.91 1yaj h PHE 546 N 0.61 -0.75 -0.75 0.00 3.57 0.91 -3.15 116.94 117.38 1yaj h PHE 546 Ca 0.52 -0.02 0.09 0.00 3.53 0.00 0.00 57.97 62.10 1yaj h PHE 546 Cb 1.02 0.25 -0.07 0.00 2.79 0.00 0.00 35.95 39.93 1yaj h PHE 546 CO -0.00 -0.47 0.40 -1.49 -2.23 0.00 0.00 178.31 174.52 1yaj h TRP 547 N -1.17 0.71 -1.00 0.41 4.06 0.33 -1.26 115.95 118.03 1yaj h TRP 547 Ca -0.08 0.03 0.21 0.00 2.06 0.00 0.00 58.89 61.11 1yaj h TRP 547 Cb 0.62 -0.21 -0.11 0.00 -1.00 0.00 0.00 29.16 28.46 1yaj h TRP 547 CO 0.01 0.27 0.61 1.15 -3.56 0.00 0.00 178.44 176.92 1yaj h THR 548 N 0.67 0.64 0.08 1.49 2.02 -0.69 0.40 112.91 117.51 1yaj h THR 548 Ca 0.37 -0.22 -0.00 0.00 0.77 0.00 0.00 66.41 67.32 1yaj h THR 548 Cb 0.37 -0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.72 1yaj h THR 548 CO -0.26 0.12 -0.04 0.78 0.37 0.00 0.00 175.52 176.49 1yaj h ASN 549 N 0.65 -0.09 -0.13 4.18 2.35 -1.22 -2.69 115.58 118.63 1yaj h ASN 549 Ca 0.59 -0.50 0.04 0.00 -0.55 0.00 0.00 56.30 55.87 1yaj h ASN 549 Cb 1.08 0.02 -0.01 0.00 0.05 0.00 0.00 38.32 39.47 1yaj h ASN 549 CO -0.38 0.53 0.32 0.25 -1.65 0.00 0.00 177.43 176.50 1yaj h LEU 550 N -0.79 0.00 0.00 1.61 5.85 -0.78 1.01 115.31 122.21 1yaj h LEU 550 Ca -0.01 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.66 1yaj h LEU 550 Cb 0.59 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 1yaj h LEU 550 CO 0.02 0.00 -0.64 -0.26 -0.34 0.00 0.00 178.44 177.22 1yaj h PHE 551 N 0.00 0.00 0.00 1.25 -1.00 -0.81 -3.34 116.94 113.04 1yaj h PHE 551 Ca 0.06 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.82 1yaj h PHE 551 Cb 0.70 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.26 1yaj h PHE 551 CO 0.00 0.20 -0.04 0.00 -1.61 0.00 0.00 178.31 176.86 1yaj n ALA 552 N -2.20 3.91 -0.21 2.45 0.00 0.35 -5.09 120.51 119.72 1yaj n ALA 552 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1yaj n ALA 552 Cb 0.63 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.78 1yaj n ALA 552 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67