#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 3.05 0.44 4.04 0.01 -1.26 -5.10 113.70 114.88 1yaj s SER 22 Ca 0.00 -0.63 -0.21 0.00 1.31 0.00 0.00 55.95 56.42 1yaj s SER 22 Cb 0.00 -1.40 -0.14 0.00 0.21 0.00 0.00 66.02 64.69 1yaj s SER 22 CO 0.00 -0.02 0.21 -2.65 0.41 0.00 0.00 173.24 171.19 1yaj n PRO 23 N 4.66 0.19 -2.73 12.44 -0.02 -1.26 -4.83 135.00 143.44 1yaj n PRO 23 Ca -0.20 0.07 -0.41 0.00 -2.02 0.00 0.00 63.50 60.95 1yaj n PRO 23 Cb 0.50 -1.19 -0.05 0.00 -0.02 0.00 0.00 33.50 32.74 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 -1.25 4.77 -0.36 0.52 0.02 -1.25 -4.89 135.00 132.55 1yaj s PRO 24 Ca 0.61 1.48 0.01 0.00 0.02 0.00 0.00 61.00 63.12 1yaj s PRO 24 Cb -0.59 -3.33 0.11 0.00 0.02 0.00 0.00 34.50 30.71 1yaj s PRO 24 CO 0.61 0.34 0.13 0.08 -0.33 0.00 0.00 177.00 177.83 1yaj s VAL 25 N -0.54 1.45 -0.02 3.83 1.01 -1.26 -1.77 120.40 123.10 1yaj s VAL 25 Ca 0.44 -2.01 -0.17 0.00 0.00 0.00 0.00 61.98 60.24 1yaj s VAL 25 Cb -0.25 -2.06 -0.05 0.00 0.00 0.00 0.00 36.38 34.01 1yaj s VAL 25 CO 0.31 -0.71 0.48 -0.69 0.00 0.00 0.00 175.10 174.48 1yaj s VAL 26 N 1.04 5.01 -0.20 2.92 1.01 -0.81 -4.90 120.40 124.47 1yaj s VAL 26 Ca 0.12 0.98 -0.21 0.00 0.00 0.00 0.00 61.98 62.88 1yaj s VAL 26 Cb -0.20 -3.80 -0.02 0.00 0.00 0.00 0.00 36.38 32.36 1yaj s VAL 26 CO -0.14 0.48 0.63 -0.62 0.00 0.00 0.00 175.10 175.46 1yaj s ASP 27 N -0.47 6.68 0.41 3.32 -1.08 -1.26 -0.51 116.67 123.76 1yaj s ASP 27 Ca 0.26 0.82 0.07 0.00 -0.52 0.00 0.00 52.55 53.18 1yaj s ASP 27 Cb -0.17 -2.35 -0.08 0.00 -1.46 0.00 0.00 42.92 38.87 1yaj s ASP 27 CO 0.14 -0.28 0.02 0.42 0.52 0.00 0.00 175.17 175.98 1yaj s THR 28 N 1.97 1.98 0.19 1.71 -4.23 -0.26 -4.77 115.64 112.23 1yaj s THR 28 Ca 0.29 -1.99 -0.13 0.00 -1.18 0.00 0.00 61.69 58.68 1yaj s THR 28 Cb -0.16 -2.97 0.11 0.00 1.34 0.00 0.00 72.50 70.83 1yaj s THR 28 CO 0.10 0.00 1.72 0.58 -0.54 0.00 0.00 174.62 176.48 1yaj h VAL 29 N 1.74 0.72 0.00 2.29 2.07 -1.95 -1.90 116.25 119.22 1yaj h VAL 29 Ca -0.44 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.00 1yaj h VAL 29 Cb 1.24 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.48 1yaj h VAL 29 CO 0.80 0.04 -0.22 1.41 0.02 0.00 0.00 177.57 179.62 1yaj n HIS 30 N -5.11 0.04 0.00 1.57 8.25 -1.26 -5.02 115.22 113.69 1yaj n HIS 30 Ca 0.06 0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 1yaj n HIS 30 Cb 0.24 -0.41 0.00 0.00 1.12 0.00 0.00 29.99 30.94 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 1.49 0.63 3.66 -1.41 0.00 -0.71 -1.17 105.19 107.68 1yaj n GLY 31 Ca 0.06 -1.56 -0.42 0.00 0.00 0.00 0.00 46.02 44.11 1yaj n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yaj s LYS 32 N -1.66 4.24 0.14 1.61 1.02 -1.25 -1.11 119.74 122.73 1yaj s LYS 32 Ca 0.00 1.03 -0.00 0.00 0.02 0.00 0.00 55.97 57.02 1yaj s LYS 32 Cb 0.00 -3.61 -0.04 0.00 -0.52 0.00 0.00 37.83 33.65 1yaj s LYS 32 CO 0.00 -0.45 0.31 0.08 -0.92 0.00 0.00 175.35 174.36 1yaj s VAL 33 N 2.59 5.29 -0.08 3.17 1.01 0.34 -0.79 120.40 131.92 1yaj s VAL 33 Ca 0.38 -0.40 0.02 0.00 0.00 0.00 0.00 61.98 61.97 1yaj s VAL 33 Cb -0.16 -3.69 0.01 0.00 0.00 0.00 0.00 36.38 32.55 1yaj s VAL 33 CO 0.09 -0.03 -0.12 -0.22 0.00 0.00 0.00 175.10 174.82 1yaj s LEU 34 N -2.97 1.60 0.00 3.92 1.98 -0.32 -1.93 118.68 120.96 1yaj s LEU 34 Ca 0.37 -0.34 0.00 0.00 -2.89 0.00 0.00 54.13 51.27 1yaj s LEU 34 Cb -0.12 -0.91 0.00 0.00 0.66 0.00 0.00 46.19 45.83 1yaj s LEU 34 CO 0.28 0.01 0.00 0.61 -1.89 0.00 0.00 176.35 175.36 1yaj n GLY 35 N 4.08 6.57 2.89 7.98 0.00 -0.73 -2.28 105.19 123.70 1yaj n GLY 35 Ca -0.20 -2.00 -0.13 0.00 0.00 0.00 0.00 46.02 43.69 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 1.47 0.11 0.11 1.61 -2.85 -0.61 -3.96 119.74 115.62 1yaj s LYS 36 Ca 0.00 -0.06 -0.29 0.00 -1.00 0.00 0.00 55.97 54.61 1yaj s LYS 36 Cb 0.00 -0.09 -0.06 0.00 -2.06 0.00 0.00 37.83 35.62 1yaj s LYS 36 CO 0.00 0.02 0.93 -0.06 0.10 0.00 0.00 175.35 176.34 1yaj s PHE 37 N -0.08 3.82 -0.17 1.78 2.99 -1.26 -1.12 117.98 123.93 1yaj s PHE 37 Ca -0.00 1.76 -0.02 0.00 0.00 0.00 0.00 56.93 58.66 1yaj s PHE 37 Cb -0.01 -3.01 0.05 0.00 0.00 0.00 0.00 43.02 40.06 1yaj s PHE 37 CO -0.00 0.24 0.02 0.08 -0.00 0.00 0.00 175.22 175.57 1yaj s VAL 38 N -0.13 0.54 0.03 -0.44 1.01 0.01 -4.95 120.40 116.47 1yaj s VAL 38 Ca 0.45 -0.45 -0.23 0.00 0.00 0.00 0.00 61.98 61.74 1yaj s VAL 38 Cb -0.23 -0.97 -0.05 0.00 0.00 0.00 0.00 36.38 35.13 1yaj s VAL 38 CO 0.29 -0.11 0.71 -0.44 0.00 0.00 0.00 175.10 175.54 1yaj s SER 39 N 1.86 7.13 0.06 3.32 0.01 -1.26 -0.65 113.70 124.17 1yaj s SER 39 Ca 0.00 1.35 0.02 0.00 1.31 0.00 0.00 55.95 58.63 1yaj s SER 39 Cb -0.16 -2.43 -0.04 0.00 0.21 0.00 0.00 66.02 63.60 1yaj s SER 39 CO -0.07 0.04 0.09 -0.22 0.41 0.00 0.00 173.24 173.49 1yaj s LEU 40 N -0.10 3.88 -0.06 2.44 2.96 -1.26 -4.98 118.68 121.57 1yaj s LEU 40 Ca 0.36 0.05 -0.32 0.00 -0.22 0.00 0.00 54.13 54.00 1yaj s LEU 40 Cb -0.20 -2.49 -0.10 0.00 0.50 0.00 0.00 46.19 43.90 1yaj s LEU 40 CO 0.21 0.19 1.95 1.21 -1.32 0.00 0.00 176.35 178.59 1yaj n GLU 41 N 0.59 2.41 -0.06 1.98 4.07 -1.26 -2.20 120.64 126.16 1yaj n GLU 41 Ca -0.09 0.87 0.00 0.00 -0.06 0.00 0.00 57.16 57.88 1yaj n GLU 41 Cb 0.52 -2.81 0.00 0.00 -0.06 0.00 0.00 31.44 29.08 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 4.60 0.91 3.30 8.31 0.00 -1.26 -5.09 105.19 115.95 1yaj n GLY 42 Ca 0.23 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.02 1.44 0.00 1.61 0.40 -0.93 -5.11 117.98 113.37 1yaj s PHE 43 Ca 0.00 -0.85 0.00 0.00 -0.60 0.00 0.00 56.93 55.48 1yaj s PHE 43 Cb 0.00 -0.80 0.00 0.00 0.51 0.00 0.00 43.02 42.73 1yaj s PHE 43 CO 0.00 0.01 0.00 0.00 0.70 0.00 0.00 175.22 175.93 1yaj n ALA 44 N -0.33 0.00 -1.61 5.36 0.00 -1.26 -4.78 120.51 117.89 1yaj n ALA 44 Ca -0.07 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.94 1yaj n ALA 44 Cb 0.62 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.04 1yaj n ALA 44 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1yaj n GLN 45 N -1.14 2.13 -0.62 0.00 -0.06 -1.26 -4.93 117.38 111.51 1yaj n GLN 45 Ca 0.00 0.64 -0.28 0.00 -2.00 0.00 0.00 57.00 55.36 1yaj n GLN 45 Cb 0.00 -3.16 0.24 0.00 -4.06 0.00 0.00 30.24 23.27 1yaj n GLN 45 CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 1yaj s PRO 46 N 5.92 -0.80 -0.16 3.69 0.04 -1.26 -4.89 135.00 137.54 1yaj s PRO 46 Ca 0.99 0.81 -0.07 0.00 0.04 0.00 0.00 61.00 62.76 1yaj s PRO 46 Cb -0.38 -1.57 -0.04 0.00 0.04 0.00 0.00 34.50 32.55 1yaj s PRO 46 CO 0.37 -3.63 0.09 0.08 0.04 0.00 0.00 177.00 173.96 1yaj s VAL 47 N -2.52 5.10 -0.26 -0.36 1.01 0.18 -4.82 120.40 118.72 1yaj s VAL 47 Ca 0.68 0.07 -0.25 0.00 0.00 0.00 0.00 61.98 62.48 1yaj s VAL 47 Cb -0.24 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 32.87 1yaj s VAL 47 CO 0.64 0.52 0.87 0.00 0.00 0.00 0.00 175.10 177.13 1yaj s ALA 48 N -0.21 3.61 -0.18 5.51 0.00 -0.58 -0.81 121.76 129.10 1yaj s ALA 48 Ca 0.09 -0.15 -0.05 0.00 0.00 0.00 0.00 51.96 51.84 1yaj s ALA 48 Cb -0.12 -3.37 -0.03 0.00 0.00 0.00 0.00 23.12 19.61 1yaj s ALA 48 CO 0.01 -1.07 0.01 0.42 0.00 0.00 0.00 175.76 175.13 1yaj s ILE 49 N 3.01 4.17 -0.21 0.00 1.01 -0.28 -2.40 121.20 126.50 1yaj s ILE 49 Ca 0.37 -0.25 0.01 0.00 0.00 0.00 0.00 60.65 60.78 1yaj s ILE 49 Cb -0.15 -2.87 0.03 0.00 0.01 0.00 0.00 42.46 39.48 1yaj s ILE 49 CO 0.09 0.45 -0.15 -0.36 0.00 0.00 0.00 174.94 174.97 1yaj s PHE 50 N 0.68 2.92 -0.20 3.97 0.40 -0.12 -1.57 117.98 124.07 1yaj s PHE 50 Ca 0.00 -1.71 -0.02 0.00 -0.60 0.00 0.00 56.93 54.60 1yaj s PHE 50 Cb -0.14 -1.95 -0.00 0.00 0.51 0.00 0.00 43.02 41.44 1yaj s PHE 50 CO 0.02 -0.79 -0.10 -0.51 0.70 0.00 0.00 175.22 174.54 1yaj s LEU 51 N 1.27 2.65 0.00 -0.37 1.43 -1.01 -1.12 118.68 121.53 1yaj s LEU 51 Ca 0.02 -0.46 0.00 0.00 -1.03 0.00 0.00 54.13 52.66 1yaj s LEU 51 Cb -0.15 -1.65 0.00 0.00 0.03 0.00 0.00 46.19 44.43 1yaj s LEU 51 CO -0.10 0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.10 1yaj n GLY 52 N 4.57 1.35 3.65 -3.19 0.00 -1.05 -3.43 105.19 107.08 1yaj n GLY 52 Ca -0.19 -0.22 -0.43 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.00 4.40 0.32 -0.61 1.01 -0.93 -4.82 121.20 118.57 1yaj s ILE 53 Ca 0.00 1.64 -0.29 0.00 0.00 0.00 0.00 60.65 62.00 1yaj s ILE 53 Cb 0.00 -4.24 -0.10 0.00 0.01 0.00 0.00 42.46 38.13 1yaj s ILE 53 CO 0.00 -0.34 1.33 -2.16 0.00 0.00 0.00 174.94 173.77 1yaj s PRO 54 N 3.66 4.34 -0.02 2.79 0.04 -1.26 -2.73 135.00 141.81 1yaj s PRO 54 Ca 0.50 2.23 0.02 0.00 0.04 0.00 0.00 61.00 63.80 1yaj s PRO 54 Cb -0.16 -3.07 0.04 0.00 0.04 0.00 0.00 34.50 31.34 1yaj s PRO 54 CO 0.15 -0.22 0.95 1.97 0.04 0.00 0.00 177.00 179.88 1yaj n PHE 55 N 0.98 0.00 -3.63 0.56 1.16 -1.10 -4.97 117.46 110.46 1yaj n PHE 55 Ca 0.01 -0.48 -0.05 0.00 -1.87 0.00 0.00 57.45 55.06 1yaj n PHE 55 Cb 0.42 -0.06 -0.06 0.00 -1.61 0.00 0.00 39.48 38.17 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 -1.07 -2.10 0.07 1.98 0.00 -1.26 -4.65 121.76 114.73 1yaj s ALA 56 Ca 0.04 1.76 -0.35 0.00 0.00 0.00 0.00 51.96 53.41 1yaj s ALA 56 Cb 0.04 -1.46 -0.14 0.00 0.00 0.00 0.00 23.12 21.55 1yaj s ALA 56 CO 0.00 -0.20 1.61 1.17 0.00 0.00 0.00 175.76 178.35 1yaj n LYS 57 N 1.29 1.93 -1.67 0.00 4.81 0.25 -4.65 118.16 120.12 1yaj n LYS 57 Ca -0.08 0.70 -0.63 0.00 -0.87 0.00 0.00 58.31 57.43 1yaj n LYS 57 Cb 0.57 -2.46 -0.09 0.00 0.02 0.00 0.00 35.03 33.07 1yaj n LYS 57 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1yaj n PRO 58 N 4.09 0.39 -0.88 1.64 -0.02 -1.26 -4.46 135.00 134.49 1yaj n PRO 58 Ca 0.19 0.14 -0.23 0.00 -2.02 0.00 0.00 63.50 61.58 1yaj n PRO 58 Cb 0.26 -1.72 -0.05 0.00 -0.02 0.00 0.00 33.50 31.98 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 4.99 2.36 -3.96 0.52 -0.04 -1.26 -4.92 135.00 132.69 1yaj n PRO 59 Ca 0.33 -1.48 -0.32 0.00 -0.04 0.00 0.00 63.50 61.99 1yaj n PRO 59 Cb 0.01 -2.40 -0.05 0.00 -0.04 0.00 0.00 33.50 31.02 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 0.09 4.21 0.00 1.53 1.43 -1.26 -3.99 118.68 120.69 1yaj s LEU 60 Ca 0.50 0.23 0.00 0.00 -1.03 0.00 0.00 54.13 53.82 1yaj s LEU 60 Cb 0.15 -2.71 0.00 0.00 0.03 0.00 0.00 46.19 43.67 1yaj s LEU 60 CO -0.03 0.21 0.00 0.61 0.23 0.00 0.00 176.35 177.36 1yaj n GLY 61 N 0.59 2.47 0.00 -3.19 0.00 -1.26 -2.72 105.19 101.09 1yaj n GLY 61 Ca -0.08 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.56 1yaj n GLY 61 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1yaj n PRO 62 N 13.42 0.00 -0.53 1.61 -0.04 -1.26 -0.62 135.00 147.58 1yaj n PRO 62 Ca 0.00 0.27 0.08 0.00 -0.04 0.00 0.00 63.50 63.81 1yaj n PRO 62 Cb 0.00 -1.62 0.31 0.00 -0.04 0.00 0.00 33.50 32.15 1yaj n PRO 62 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1yaj n LEU 63 N -1.23 4.18 -4.70 1.53 4.77 -1.10 -4.86 117.00 115.58 1yaj n LEU 63 Ca 0.00 -2.10 -0.39 0.00 -0.03 0.00 0.00 56.01 53.49 1yaj n LEU 63 Cb 0.12 -0.53 -0.06 0.00 -2.33 0.00 0.00 43.42 40.62 1yaj n LEU 63 CO 0.00 0.73 0.26 -0.60 -1.33 0.00 0.00 177.39 176.46 1yaj s ARG 64 N -1.75 4.32 -0.44 3.23 3.52 0.21 -3.85 118.95 124.18 1yaj s ARG 64 Ca 0.45 0.56 -0.02 0.00 -0.13 0.00 0.00 55.73 56.59 1yaj s ARG 64 Cb 0.28 -3.48 0.00 0.00 -1.56 0.00 0.00 34.95 30.19 1yaj s ARG 64 CO 0.22 0.02 0.32 1.19 -0.81 0.00 0.00 175.30 176.25 1yaj n PHE 65 N 4.10 -0.82 -3.88 5.12 3.72 -1.26 -4.98 117.46 119.45 1yaj n PHE 65 Ca -0.04 0.27 -0.09 0.00 -0.05 0.00 0.00 57.45 57.54 1yaj n PHE 65 Cb 0.51 -2.22 -0.08 0.00 -0.94 0.00 0.00 39.48 36.75 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 -2.99 0.14 0.53 4.37 -4.23 -1.25 -4.84 115.64 107.37 1yaj s THR 66 Ca 0.16 -1.13 -0.22 0.00 -1.18 0.00 0.00 61.69 59.32 1yaj s THR 66 Cb -0.07 -1.15 -0.06 0.00 1.34 0.00 0.00 72.50 72.55 1yaj s THR 66 CO 0.20 -0.62 1.18 -2.65 -0.54 0.00 0.00 174.62 172.18 1yaj n PRO 67 N 0.31 1.44 -2.15 3.99 -0.02 -1.26 -4.92 135.00 132.39 1yaj n PRO 67 Ca -0.17 0.53 -0.41 0.00 -2.02 0.00 0.00 63.50 61.43 1yaj n PRO 67 Cb 0.61 -2.36 -0.03 0.00 -0.02 0.00 0.00 33.50 31.70 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 -2.64 4.34 0.16 0.52 0.04 -1.26 -5.03 135.00 131.13 1yaj s PRO 68 Ca 0.70 2.13 -0.03 0.00 0.04 0.00 0.00 61.00 63.85 1yaj s PRO 68 Cb -0.45 -3.18 -0.05 0.00 0.04 0.00 0.00 34.50 30.87 1yaj s PRO 68 CO 0.51 -0.33 0.37 -0.65 0.04 0.00 0.00 177.00 176.93 1yaj s GLN 69 N 0.03 3.56 0.46 4.56 1.11 -1.26 -4.94 119.66 123.18 1yaj s GLN 69 Ca 0.59 -0.22 -0.25 0.00 0.01 0.00 0.00 55.36 55.49 1yaj s GLN 69 Cb -0.38 -2.86 -0.08 0.00 -1.01 0.00 0.00 33.01 28.68 1yaj s GLN 69 CO 0.38 0.45 1.38 -2.30 0.01 0.00 0.00 175.29 175.22 1yaj n PRO 70 N -0.18 2.08 -2.78 2.91 -0.02 -1.26 0.88 135.00 136.63 1yaj n PRO 70 Ca -0.03 0.74 -0.38 0.00 -2.02 0.00 0.00 63.50 61.81 1yaj n PRO 70 Cb 0.52 -2.56 -0.06 0.00 -0.02 0.00 0.00 33.50 31.38 1yaj n PRO 70 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1yaj s ALA 71 N -1.21 3.28 0.36 3.55 0.00 -1.26 -3.89 121.76 122.58 1yaj s ALA 71 Ca 0.63 0.55 -0.27 0.00 0.00 0.00 0.00 51.96 52.87 1yaj s ALA 71 Cb -0.46 -3.18 -0.09 0.00 0.00 0.00 0.00 23.12 19.39 1yaj s ALA 71 CO 0.56 0.20 1.26 -1.21 0.00 0.00 0.00 175.76 176.57 1yaj s GLU 72 N -1.64 4.22 0.74 0.00 0.41 -1.26 -4.89 118.70 116.27 1yaj s GLU 72 Ca 0.46 2.10 -0.11 0.00 -0.41 0.00 0.00 54.97 57.00 1yaj s GLU 72 Cb -0.22 -2.92 0.03 0.00 -1.78 0.00 0.00 34.13 29.24 1yaj s GLU 72 CO 0.27 -0.26 1.07 -1.25 -0.49 0.00 0.00 175.26 174.61 1yaj s PRO 73 N -1.98 2.60 0.12 0.39 0.04 -1.26 -5.05 135.00 129.86 1yaj s PRO 73 Ca 0.52 0.93 0.08 0.00 0.04 0.00 0.00 61.00 62.57 1yaj s PRO 73 Cb -0.37 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.18 1yaj s PRO 73 CO 0.48 -1.33 -0.13 1.67 0.04 0.00 0.00 177.00 177.73 1yaj s TRP 74 N -3.04 2.66 0.17 0.56 -2.14 -0.31 -5.03 118.94 111.81 1yaj s TRP 74 Ca 0.59 -0.20 -0.03 0.00 2.66 0.00 0.00 56.10 59.13 1yaj s TRP 74 Cb -0.15 -1.39 0.04 0.00 -3.10 0.00 0.00 33.47 28.88 1yaj s TRP 74 CO 0.55 0.42 1.43 0.77 -2.66 0.00 0.00 176.95 177.46 1yaj h SER 75 N 3.59 0.53 0.00 -2.66 0.02 -1.98 -3.43 113.55 109.62 1yaj h SER 75 Ca -0.49 -0.34 0.00 0.00 -0.84 0.00 0.00 61.79 60.11 1yaj h SER 75 Cb 1.17 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.55 1yaj h SER 75 CO 0.50 1.09 0.00 0.49 -1.14 0.00 0.00 176.83 177.77 1yaj n PHE 76 N -3.85 0.00 -3.52 3.45 3.01 -1.26 -5.02 117.46 110.26 1yaj n PHE 76 Ca -0.05 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.00 1yaj n PHE 76 Cb 0.70 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 40.09 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 4.13 4.44 -0.29 -4.37 1.01 -1.26 -3.97 120.40 120.09 1yaj s VAL 77 Ca 0.00 -1.55 -0.29 0.00 0.00 0.00 0.00 61.98 60.14 1yaj s VAL 77 Cb 0.00 -3.82 -0.02 0.00 0.00 0.00 0.00 36.38 32.54 1yaj s VAL 77 CO 0.00 -0.68 1.71 -0.75 0.00 0.00 0.00 175.10 175.38 1yaj s LYS 78 N 1.44 3.54 -0.97 2.72 2.20 0.03 -4.84 119.74 123.85 1yaj s LYS 78 Ca 0.04 1.51 -0.08 0.00 -0.36 0.00 0.00 55.97 57.09 1yaj s LYS 78 Cb -0.25 -4.13 -0.06 0.00 -1.51 0.00 0.00 37.83 31.88 1yaj s LYS 78 CO 0.01 -1.61 2.17 0.09 -0.36 0.00 0.00 175.35 175.65 1yaj n ASN 79 N 9.45 5.04 -3.99 1.43 3.02 -1.26 -1.17 115.26 127.79 1yaj n ASN 79 Ca 0.21 -2.38 -0.34 0.00 -0.03 0.00 0.00 54.58 52.04 1yaj n ASN 79 Cb 0.46 -1.15 -0.10 0.00 -0.61 0.00 0.00 39.78 38.39 1yaj n ASN 79 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1yaj n ALA 80 N 4.45 1.33 -1.83 5.41 0.00 -0.97 -4.49 120.51 124.41 1yaj n ALA 80 Ca 0.48 -2.75 0.05 0.00 0.00 0.00 0.00 53.44 51.22 1yaj n ALA 80 Cb 0.17 -3.58 0.11 0.00 0.00 0.00 0.00 19.45 16.15 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 7.49 1.17 -4.00 0.00 -2.24 -1.22 -2.41 114.28 113.07 1yaj n THR 81 Ca 0.46 -1.93 -0.11 0.00 -2.27 0.00 0.00 64.05 60.19 1yaj n THR 81 Cb 0.44 0.24 -0.12 0.00 -2.10 0.00 0.00 70.33 68.79 1yaj n THR 81 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1yaj s SER 82 N -2.48 0.41 0.01 3.42 0.01 -1.22 -4.94 113.70 108.91 1yaj s SER 82 Ca 0.30 -0.42 -0.30 0.00 1.31 0.00 0.00 55.95 56.84 1yaj s SER 82 Cb 0.31 0.06 -0.07 0.00 0.21 0.00 0.00 66.02 66.52 1yaj s SER 82 CO -0.07 -0.21 1.77 -0.31 0.41 0.00 0.00 173.24 174.83 1yaj s TYR 83 N -1.15 1.83 0.52 2.43 2.02 -1.26 -3.91 117.35 117.83 1yaj s TYR 83 Ca -0.11 -0.02 -0.20 0.00 -0.37 0.00 0.00 57.07 56.38 1yaj s TYR 83 Cb -0.08 -4.05 -0.07 0.00 -0.40 0.00 0.00 41.96 37.36 1yaj s TYR 83 CO -0.00 -4.49 1.09 -1.25 -1.57 0.00 0.00 175.55 169.33 1yaj s PRO 84 N 3.85 3.52 0.89 -1.71 0.04 -1.26 -4.98 135.00 135.35 1yaj s PRO 84 Ca 0.79 1.49 -0.11 0.00 0.04 0.00 0.00 61.00 63.21 1yaj s PRO 84 Cb -0.38 -2.04 0.12 0.00 0.04 0.00 0.00 34.50 32.23 1yaj s PRO 84 CO 0.34 -0.69 1.09 -2.30 0.04 0.00 0.00 177.00 175.49 1yaj n PRO 85 N -1.22 -0.27 -3.90 0.56 -0.02 -1.26 -4.88 135.00 124.02 1yaj n PRO 85 Ca 0.11 -0.01 -0.35 0.00 -2.02 0.00 0.00 63.50 61.22 1yaj n PRO 85 Cb 0.52 -2.34 -0.06 0.00 -0.02 0.00 0.00 33.50 31.60 1yaj n PRO 85 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1yaj s MET 86 N -4.38 3.43 0.53 -0.52 0.23 0.93 -4.74 119.30 114.79 1yaj s MET 86 Ca 0.68 -0.22 -0.20 0.00 -1.03 0.00 0.00 55.69 54.92 1yaj s MET 86 Cb -0.25 -3.14 -0.08 0.00 -1.53 0.00 0.00 34.83 29.83 1yaj s MET 86 CO 0.57 0.73 0.75 0.00 -2.03 0.00 0.00 175.02 175.04 1yaj n THR 88 N -1.39 0.41 -3.49 0.00 -1.04 -1.21 -4.71 114.28 102.85 1yaj n THR 88 Ca 0.12 -0.10 -0.03 0.00 -2.04 0.00 0.00 64.05 62.00 1yaj n THR 88 Cb 0.45 -0.80 0.01 0.00 -1.82 0.00 0.00 70.33 68.17 1yaj n THR 88 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1yaj n GLN 89 N 2.14 0.42 -2.20 -2.82 10.64 -1.26 -4.69 117.38 119.60 1yaj n GLN 89 Ca 0.17 -0.86 -0.37 0.00 -1.83 0.00 0.00 57.00 54.11 1yaj n GLN 89 Cb 0.21 1.11 -0.03 0.00 -0.86 0.00 0.00 30.24 30.67 1yaj n GLN 89 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 1yaj s ASP 90 N -2.03 5.56 0.42 2.61 -1.08 -1.26 -4.87 116.67 116.02 1yaj s ASP 90 Ca 0.09 -0.21 0.26 0.00 -0.52 0.00 0.00 52.55 52.17 1yaj s ASP 90 Cb -0.02 -2.55 1.32 0.00 -1.46 0.00 0.00 42.92 40.22 1yaj s ASP 90 CO 0.04 -2.25 1.67 1.55 0.52 0.00 0.00 175.17 176.70 1yaj h PRO 91 N 12.64 0.17 0.11 4.34 0.13 -1.97 0.33 132.00 147.75 1yaj h PRO 91 Ca -0.15 -0.01 -0.28 0.00 -0.87 0.00 0.00 66.00 64.69 1yaj h PRO 91 Cb 1.09 -0.04 0.02 0.00 0.13 0.00 0.00 31.00 32.20 1yaj h PRO 91 CO 1.25 0.11 -1.21 0.87 -0.23 0.00 0.00 178.00 178.80 1yaj h LYS 92 N 0.18 0.50 -0.17 0.86 1.57 -1.99 -2.23 116.57 115.29 1yaj h LYS 92 Ca 0.75 -0.68 -0.07 0.00 -1.87 0.00 0.00 60.65 58.78 1yaj h LYS 92 Cb 2.23 0.23 -0.00 0.00 0.08 0.00 0.00 32.23 34.76 1yaj h LYS 92 CO -0.40 1.29 -0.19 0.00 -0.57 0.00 0.00 179.45 179.59 1yaj h ALA 93 N 0.44 0.25 -0.88 3.86 0.00 -1.30 -2.31 119.26 119.32 1yaj h ALA 93 Ca -0.16 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 1yaj h ALA 93 Cb 1.88 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 19.58 1yaj h ALA 93 CO 0.22 0.17 0.48 0.78 0.00 0.00 0.00 179.25 180.89 1yaj h GLY 94 N 0.06 1.31 1.47 0.00 0.00 -0.54 0.22 103.07 105.61 1yaj h GLY 94 Ca 0.02 -0.60 -0.14 0.00 0.00 0.00 0.00 47.33 46.62 1yaj h GLY 94 CO 0.05 0.58 -0.43 -1.61 0.00 0.00 0.00 176.54 175.12 1yaj h GLN 95 N 1.23 0.58 0.20 4.80 4.15 -1.42 -0.94 115.11 123.70 1yaj h GLN 95 Ca 0.31 -0.31 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 1yaj h GLN 95 Cb 0.03 0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.74 1yaj h GLN 95 CO -0.05 0.90 -0.09 1.25 -1.93 0.00 0.00 178.83 178.91 1yaj h LEU 96 N 0.47 -0.22 -1.19 -2.39 5.85 -0.81 -1.84 115.31 115.18 1yaj h LEU 96 Ca 0.04 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.55 1yaj h LEU 96 Cb 0.94 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 42.00 1yaj h LEU 96 CO 0.08 0.07 0.27 0.25 -0.34 0.00 0.00 178.44 178.77 1yaj h LEU 97 N -0.52 0.75 -1.76 2.25 5.85 -0.56 -1.57 115.31 119.75 1yaj h LEU 97 Ca -0.03 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.58 1yaj h LEU 97 Cb 0.39 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.23 1yaj h LEU 97 CO 0.04 0.65 -0.16 -1.28 -0.34 0.00 0.00 178.44 177.35 1yaj h SER 98 N 0.83 0.00 1.52 1.25 0.87 -0.97 -1.86 113.55 115.19 1yaj h SER 98 Ca 0.20 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.70 1yaj h SER 98 Cb 0.11 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 1yaj h SER 98 CO -0.02 0.16 -0.50 -0.33 -0.53 0.00 0.00 176.83 175.61 1yaj h GLU 99 N 0.00 0.00 0.00 2.24 5.08 -0.43 -2.79 114.58 118.68 1yaj h GLU 99 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1yaj h GLU 99 Cb 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1yaj h GLU 99 CO 0.02 0.23 -0.94 1.28 -1.00 0.00 0.00 179.01 178.60 1yaj n LEU 100 N -3.07 0.63 -0.01 1.33 4.77 -0.77 -4.42 117.00 115.46 1yaj n LEU 100 Ca 0.01 -0.01 0.03 0.00 -0.03 0.00 0.00 56.01 56.01 1yaj n LEU 100 Cb 0.65 -0.11 -0.07 0.00 -2.33 0.00 0.00 43.42 41.56 1yaj n LEU 100 CO 0.38 0.05 -0.64 0.49 -1.33 0.00 0.00 177.39 176.35 1yaj n PHE 101 N -1.92 0.00 -0.94 -1.77 3.01 -0.79 -5.03 117.46 110.02 1yaj n PHE 101 Ca 0.02 0.00 -0.34 0.00 1.01 0.00 0.00 57.45 58.14 1yaj n PHE 101 Cb 0.42 -0.24 0.09 0.00 -0.01 0.00 0.00 39.48 39.75 1yaj n PHE 101 CO 0.00 0.00 0.00 -2.37 1.01 0.00 0.00 176.76 175.40 1yaj n THR 102 N -1.90 0.38 0.00 4.37 5.66 -1.05 -4.85 114.28 116.89 1yaj n THR 102 Ca -0.04 -0.29 0.00 0.00 -3.05 0.00 0.00 64.05 60.67 1yaj n THR 102 Cb 0.33 -0.54 0.00 0.00 -1.55 0.00 0.00 70.33 68.58 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 -0.26 1.77 -4.65 1.09 6.94 -1.26 -4.94 115.26 113.95 1yaj n ASN 103 Ca 0.06 -0.20 -0.29 0.00 -0.02 0.00 0.00 54.58 54.13 1yaj n ASN 103 Cb 0.53 0.76 0.14 0.00 -2.36 0.00 0.00 39.78 38.85 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 -1.11 0.98 0.00 -3.83 1.70 -1.26 -4.08 118.95 111.35 1yaj s ARG 104 Ca 0.00 0.17 0.00 0.00 -0.47 0.00 0.00 55.73 55.43 1yaj s ARG 104 Cb 0.00 -1.83 0.00 0.00 -0.57 0.00 0.00 34.95 32.55 1yaj s ARG 104 CO 0.00 -2.28 0.58 1.17 -1.08 0.00 0.00 175.30 173.69 1yaj n LYS 105 N -3.80 0.00 -4.02 3.89 3.00 -1.26 -4.68 118.16 111.29 1yaj n LYS 105 Ca 0.08 0.38 -0.30 0.00 -0.00 0.00 0.00 58.31 58.47 1yaj n LYS 105 Cb 0.59 -1.08 -0.06 0.00 0.00 0.00 0.00 35.03 34.49 1yaj n LYS 105 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 1yaj s GLU 106 N -1.33 3.04 0.53 1.64 -1.05 -1.26 -4.92 118.70 115.35 1yaj s GLU 106 Ca 0.00 -0.65 -0.19 0.00 -0.15 0.00 0.00 54.97 53.98 1yaj s GLU 106 Cb 0.00 -2.80 -0.06 0.00 -0.44 0.00 0.00 34.13 30.82 1yaj s GLU 106 CO 0.00 0.56 1.06 1.21 0.95 0.00 0.00 175.26 179.04 1yaj s ASN 107 N -2.55 6.08 -0.21 0.83 3.84 -1.26 -5.02 114.94 116.64 1yaj s ASN 107 Ca 0.31 1.92 -0.10 0.00 0.21 0.00 0.00 52.86 55.20 1yaj s ASN 107 Cb -0.12 -2.55 -0.05 0.00 -0.55 0.00 0.00 41.25 37.98 1yaj s ASN 107 CO 0.24 -0.97 0.13 -0.63 -2.79 0.00 0.00 177.10 173.09 1yaj s ILE 108 N -2.12 5.35 -0.03 -5.21 -1.09 -1.26 -5.07 121.20 111.77 1yaj s ILE 108 Ca 0.67 0.17 -0.30 0.00 -2.23 0.00 0.00 60.65 58.96 1yaj s ILE 108 Cb -0.17 -3.46 -0.04 0.00 -1.58 0.00 0.00 42.46 37.21 1yaj s ILE 108 CO 0.26 0.41 1.27 -2.16 -1.23 0.00 0.00 174.94 173.49 1yaj s PRO 109 N 0.59 4.33 0.34 2.79 0.04 -1.26 -5.01 135.00 136.82 1yaj s PRO 109 Ca 0.08 1.78 0.09 0.00 0.04 0.00 0.00 61.00 62.99 1yaj s PRO 109 Cb -0.12 -3.54 -0.06 0.00 0.04 0.00 0.00 34.50 30.82 1yaj s PRO 109 CO 0.00 -0.47 -0.04 -0.51 0.04 0.00 0.00 177.00 176.02 1yaj s LEU 110 N 2.18 2.86 0.29 -3.56 1.43 -1.26 -5.12 118.68 115.50 1yaj s LEU 110 Ca 0.59 -1.09 0.08 0.00 -1.03 0.00 0.00 54.13 52.68 1yaj s LEU 110 Cb -0.27 -1.18 -0.04 0.00 0.03 0.00 0.00 46.19 44.73 1yaj s LEU 110 CO 0.24 -0.22 0.11 -0.54 0.23 0.00 0.00 176.35 176.17 1yaj s LYS 111 N -3.67 2.53 0.02 1.70 3.01 -1.26 -4.96 119.74 117.10 1yaj s LYS 111 Ca 0.34 -1.34 0.03 0.00 -1.01 0.00 0.00 55.97 53.99 1yaj s LYS 111 Cb 0.01 -2.30 -0.04 0.00 -1.01 0.00 0.00 37.83 34.49 1yaj s LYS 111 CO 0.18 0.29 -0.05 -0.51 0.51 0.00 0.00 175.35 175.77 1yaj s LEU 112 N -3.79 3.26 -0.20 3.17 1.43 -1.26 -0.05 118.68 121.25 1yaj s LEU 112 Ca 0.34 -0.14 -0.31 0.00 -1.03 0.00 0.00 54.13 52.99 1yaj s LEU 112 Cb -0.06 -1.90 0.15 0.00 0.03 0.00 0.00 46.19 44.41 1yaj s LEU 112 CO 0.23 0.26 1.16 -0.55 0.23 0.00 0.00 176.35 177.68 1yaj s SER 113 N -1.59 -0.20 0.42 2.29 0.15 -1.10 -4.91 113.70 108.75 1yaj s SER 113 Ca 0.19 0.16 0.15 0.00 0.70 0.00 0.00 55.95 57.14 1yaj s SER 113 Cb -0.11 0.18 0.90 0.00 -1.71 0.00 0.00 66.02 65.28 1yaj s SER 113 CO 0.10 -0.24 1.91 -0.33 1.20 0.00 0.00 173.24 175.88 1yaj h GLU 114 N 2.22 0.00 -5.89 5.44 5.08 -1.96 -3.22 114.58 116.26 1yaj h GLU 114 Ca -0.13 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.61 1yaj h GLU 114 Cb 1.18 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.31 1yaj h GLU 114 CO 0.26 0.27 1.42 0.34 -1.00 0.00 0.00 179.01 180.30 1yaj s ASP 115 N -6.88 6.55 0.00 1.42 2.15 -1.26 -4.55 116.67 114.10 1yaj s ASP 115 Ca -0.03 -1.63 0.00 0.00 0.43 0.00 0.00 52.55 51.32 1yaj s ASP 115 Cb 0.15 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.23 1yaj s ASP 115 CO 0.70 -1.40 0.33 0.00 -0.17 0.00 0.00 175.17 174.63 1yaj n LEU 117 N 0.00 4.54 0.00 0.00 4.77 -1.26 -4.64 117.00 120.41 1yaj n LEU 117 Ca 0.00 -3.33 0.00 0.00 -0.03 0.00 0.00 56.01 52.65 1yaj n LEU 117 Cb 0.42 -1.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.08 1yaj n LEU 117 CO 0.00 -0.32 0.00 -1.22 -1.33 0.00 0.00 177.39 174.52 1yaj n TYR 118 N 8.80 0.00 -3.63 -1.77 4.02 -1.26 -2.70 117.16 120.62 1yaj n TYR 118 Ca 0.49 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 58.34 1yaj n TYR 118 Cb 0.42 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.73 1yaj n TYR 118 CO 0.00 0.00 0.00 -0.48 -1.01 0.00 0.00 176.86 175.37 1yaj s LEU 119 N 0.00 -0.20 0.03 7.72 0.05 -1.11 -2.08 118.68 123.10 1yaj s LEU 119 Ca 0.00 -0.17 0.05 0.00 0.05 0.00 0.00 54.13 54.06 1yaj s LEU 119 Cb 0.00 1.84 -0.02 0.00 -2.05 0.00 0.00 46.19 45.96 1yaj s LEU 119 CO 0.00 -0.60 -0.15 0.20 -0.55 0.00 0.00 176.35 175.25 1yaj s ASN 120 N -2.71 1.80 -0.07 1.48 0.01 0.82 -2.19 114.94 114.08 1yaj s ASN 120 Ca 0.10 -0.44 0.04 0.00 -0.71 0.00 0.00 52.86 51.85 1yaj s ASN 120 Cb 0.00 -0.13 0.00 0.00 0.41 0.00 0.00 41.25 41.53 1yaj s ASN 120 CO -0.03 0.07 -0.19 -0.63 -1.51 0.00 0.00 177.10 174.81 1yaj s ILE 121 N -0.77 1.67 -0.62 0.60 1.01 -0.28 -0.43 121.20 122.37 1yaj s ILE 121 Ca 0.03 -0.81 0.04 0.00 0.00 0.00 0.00 60.65 59.91 1yaj s ILE 121 Cb -0.08 -1.45 0.16 0.00 0.01 0.00 0.00 42.46 41.10 1yaj s ILE 121 CO 0.01 0.47 0.42 -0.31 0.00 0.00 0.00 174.94 175.54 1yaj s TYR 122 N 0.31 3.09 -0.19 3.97 1.51 0.21 -0.94 117.35 125.32 1yaj s TYR 122 Ca -0.13 -3.13 -0.14 0.00 -1.01 0.00 0.00 57.07 52.66 1yaj s TYR 122 Cb -0.16 -2.44 -0.04 0.00 -0.11 0.00 0.00 41.96 39.21 1yaj s TYR 122 CO 0.06 -0.63 0.32 -0.08 -1.11 0.00 0.00 175.55 174.11 1yaj s THR 123 N -0.97 5.27 -0.32 -0.71 -1.32 -1.01 -1.93 115.64 114.65 1yaj s THR 123 Ca 0.24 0.58 0.11 0.00 -1.21 0.00 0.00 61.69 61.41 1yaj s THR 123 Cb -0.08 -3.66 0.75 0.00 -1.51 0.00 0.00 72.50 68.00 1yaj s THR 123 CO -0.13 0.33 1.75 -0.81 -2.21 0.00 0.00 174.62 173.54 1yaj n PRO 124 N 4.04 4.07 -2.16 7.08 -0.04 -1.26 -1.53 135.00 145.20 1yaj n PRO 124 Ca -0.11 -2.99 -0.26 0.00 -0.04 0.00 0.00 63.50 60.10 1yaj n PRO 124 Cb 0.52 -2.21 0.08 0.00 -0.04 0.00 0.00 33.50 31.85 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 -2.82 3.05 -0.97 0.55 0.00 -1.26 -4.94 121.76 115.37 1yaj s ALA 125 Ca 0.53 -0.95 -0.06 0.00 0.00 0.00 0.00 51.96 51.48 1yaj s ALA 125 Cb 0.42 -2.63 0.24 0.00 0.00 0.00 0.00 23.12 21.15 1yaj s ALA 125 CO 0.14 -1.45 0.91 0.34 0.00 0.00 0.00 175.76 175.70 1yaj s ASP 126 N -4.57 6.59 0.56 0.00 2.15 -1.26 -4.82 116.67 115.33 1yaj s ASP 126 Ca 0.62 -3.54 0.47 0.00 0.43 0.00 0.00 52.55 50.52 1yaj s ASP 126 Cb -0.10 -2.06 1.66 0.00 -0.30 0.00 0.00 42.92 42.12 1yaj s ASP 126 CO 0.46 -0.27 1.59 -0.07 -0.17 0.00 0.00 175.17 176.71 1yaj h LEU 127 N 6.49 0.00 -0.62 -1.34 3.38 -1.94 0.71 115.31 121.99 1yaj h LEU 127 Ca 0.15 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.18 1yaj h LEU 127 Cb 0.86 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.56 1yaj h LEU 127 CO 0.91 0.00 0.33 0.71 0.09 0.00 0.00 178.44 180.47 1yaj h THR 128 N 0.00 0.95 -3.83 0.22 1.35 -1.99 -3.41 112.91 106.20 1yaj h THR 128 Ca 0.85 -0.21 -0.68 0.00 -0.55 0.00 0.00 66.41 65.82 1yaj h THR 128 Cb 3.51 0.29 -0.25 0.00 -1.73 0.00 0.00 68.15 69.96 1yaj h THR 128 CO -0.01 0.11 -0.78 -1.59 -0.25 0.00 0.00 175.52 173.00 1yaj s LYS 129 N -6.11 2.76 0.11 4.72 -2.85 0.24 -5.08 119.74 113.53 1yaj s LYS 129 Ca -0.13 -0.72 -0.34 0.00 -1.00 0.00 0.00 55.97 53.79 1yaj s LYS 129 Cb 0.15 -2.42 -0.18 0.00 -2.06 0.00 0.00 37.83 33.32 1yaj s LYS 129 CO 0.75 0.48 0.85 1.17 0.10 0.00 0.00 175.35 178.70 1yaj n LYS 130 N 2.73 0.17 -4.16 1.78 4.81 -1.26 -4.64 118.16 117.58 1yaj n LYS 130 Ca -0.17 0.06 -0.10 0.00 -0.87 0.00 0.00 58.31 57.22 1yaj n LYS 130 Cb 0.52 -1.35 -0.10 0.00 0.02 0.00 0.00 35.03 34.12 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 -0.42 0.67 -0.43 3.14 0.01 -1.26 -5.02 114.94 111.63 1yaj s ASN 131 Ca 0.77 -1.12 0.08 0.00 -0.71 0.00 0.00 52.86 51.88 1yaj s ASN 131 Cb -1.07 0.21 0.30 0.00 0.41 0.00 0.00 41.25 41.10 1yaj s ASN 131 CO 0.56 -0.63 0.86 -1.14 -1.51 0.00 0.00 177.10 175.24 1yaj n ARG 132 N -0.07 0.90 -2.41 -0.60 3.00 -1.24 -4.33 116.66 111.92 1yaj n ARG 132 Ca -0.09 -2.52 -0.32 0.00 -0.00 0.00 0.00 57.85 54.93 1yaj n ARG 132 Cb 0.63 -1.34 -0.03 0.00 0.00 0.00 0.00 32.46 31.71 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 -1.81 3.63 0.55 6.15 1.43 -0.46 -4.36 118.68 123.80 1yaj s LEU 133 Ca 0.31 1.55 -0.19 0.00 -1.03 0.00 0.00 54.13 54.77 1yaj s LEU 133 Cb 0.27 -4.49 -0.06 0.00 0.03 0.00 0.00 46.19 41.95 1yaj s LEU 133 CO -0.11 -0.58 1.14 -2.16 0.23 0.00 0.00 176.35 174.87 1yaj s PRO 134 N -4.08 3.33 0.11 1.29 0.04 -1.26 0.34 135.00 134.76 1yaj s PRO 134 Ca 0.58 1.64 0.07 0.00 0.04 0.00 0.00 61.00 63.33 1yaj s PRO 134 Cb -0.10 -2.01 -0.04 0.00 0.04 0.00 0.00 34.50 32.39 1yaj s PRO 134 CO 0.32 -0.87 -0.07 0.08 0.04 0.00 0.00 177.00 176.49 1yaj s VAL 135 N -1.74 3.54 -0.35 -0.36 1.01 -1.11 -2.21 120.40 119.16 1yaj s VAL 135 Ca 0.73 -1.23 -0.00 0.00 0.00 0.00 0.00 61.98 61.48 1yaj s VAL 135 Cb -0.25 -2.67 0.12 0.00 0.00 0.00 0.00 36.38 33.58 1yaj s VAL 135 CO 0.28 0.09 0.17 -0.04 0.00 0.00 0.00 175.10 175.60 1yaj s MET 136 N -2.31 0.75 -0.01 2.72 -1.94 -0.54 -0.98 119.30 117.00 1yaj s MET 136 Ca 0.23 -1.32 -0.30 0.00 -1.71 0.00 0.00 55.69 52.59 1yaj s MET 136 Cb -0.11 -1.79 -0.03 0.00 2.01 0.00 0.00 34.83 34.91 1yaj s MET 136 CO 0.15 -1.10 1.04 0.08 -0.01 0.00 0.00 175.02 175.19 1yaj s VAL 137 N 1.20 4.65 -0.23 -6.03 1.01 -0.02 -1.83 120.40 119.14 1yaj s VAL 137 Ca 0.14 1.91 -0.07 0.00 0.00 0.00 0.00 61.98 63.96 1yaj s VAL 137 Cb -0.21 -4.22 -0.03 0.00 0.00 0.00 0.00 36.38 31.92 1yaj s VAL 137 CO -0.13 0.11 0.06 0.86 0.00 0.00 0.00 175.10 175.99 1yaj s TRP 138 N 1.32 3.09 -0.48 5.22 -0.11 0.22 -1.92 118.94 126.28 1yaj s TRP 138 Ca 0.53 -0.37 -0.15 0.00 1.22 0.00 0.00 56.10 57.33 1yaj s TRP 138 Cb -0.22 -2.19 0.09 0.00 -1.50 0.00 0.00 33.47 29.64 1yaj s TRP 138 CO 0.26 -0.28 0.41 0.42 -4.62 0.00 0.00 176.95 173.13 1yaj s ILE 139 N 1.37 5.12 0.73 5.86 1.01 0.15 -3.11 121.20 132.33 1yaj s ILE 139 Ca 0.05 -1.20 -0.14 0.00 0.00 0.00 0.00 60.65 59.36 1yaj s ILE 139 Cb -0.15 -4.12 0.04 0.00 0.01 0.00 0.00 42.46 38.24 1yaj s ILE 139 CO 0.03 -0.64 1.16 -1.38 0.00 0.00 0.00 174.94 174.11 1yaj s HIS 140 N 1.61 2.24 0.00 3.97 -3.43 -1.26 -3.51 115.29 114.90 1yaj s HIS 140 Ca 0.04 1.60 0.00 0.00 -0.80 0.00 0.00 55.06 55.90 1yaj s HIS 140 Cb -0.25 -3.32 0.00 0.00 -1.43 0.00 0.00 32.58 27.58 1yaj s HIS 140 CO 0.05 -2.25 0.00 0.41 -2.00 0.00 0.00 174.74 170.95 1yaj n GLY 141 N -0.08 1.39 0.00 -1.38 0.00 -1.02 -3.08 105.19 101.02 1yaj n GLY 141 Ca 0.12 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.22 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 1.26 1.85 -0.02 0.00 -1.26 -4.56 105.19 107.46 1yaj n GLY 142 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 0.47 2.74 -0.02 0.00 -1.26 -0.70 105.19 106.42 1yaj n GLY 143 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.84 0.36 -0.03 0.99 4.77 -1.26 -4.76 117.00 115.23 1yaj n LEU 144 Ca -0.09 0.09 -0.03 0.00 -0.03 0.00 0.00 56.01 55.95 1yaj n LEU 144 Cb 0.35 -2.19 -0.05 0.00 -2.33 0.00 0.00 43.42 39.20 1yaj n LEU 144 CO 0.12 -0.83 -0.72 0.23 -1.33 0.00 0.00 177.39 174.87 1yaj n MET 145 N -0.36 2.90 -4.17 3.23 2.81 0.04 0.06 117.12 121.62 1yaj n MET 145 Ca -0.04 -0.00 -0.15 0.00 -1.81 0.00 0.00 57.70 55.70 1yaj n MET 145 Cb 0.44 -1.17 -0.07 0.00 -0.71 0.00 0.00 33.22 31.71 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 -2.16 0.00 0.00 2.03 -7.23 0.13 -4.41 120.40 108.76 1yaj s VAL 146 Ca -0.03 -1.80 0.00 0.00 -1.81 0.00 0.00 61.98 58.33 1yaj s VAL 146 Cb 0.02 -2.51 0.00 0.00 0.56 0.00 0.00 36.38 34.45 1yaj s VAL 146 CO 0.27 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.67 1yaj n GLY 147 N -0.49 2.47 2.74 2.32 0.00 -1.26 -4.20 105.19 106.76 1yaj n GLY 147 Ca 0.03 -2.12 -0.07 0.00 0.00 0.00 0.00 46.02 43.86 1yaj n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yaj n ALA 148 N -0.61 -1.11 -0.12 4.61 0.00 -1.26 -4.63 120.51 117.39 1yaj n ALA 148 Ca 0.00 -0.99 -0.25 0.00 0.00 0.00 0.00 53.44 52.20 1yaj n ALA 148 Cb 0.00 0.79 -0.09 0.00 0.00 0.00 0.00 19.45 20.16 1yaj n ALA 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yaj n ALA 149 N -1.21 1.46 -0.38 0.00 0.00 -1.26 -4.46 120.51 114.65 1yaj n ALA 149 Ca -0.12 -0.95 0.38 0.00 0.00 0.00 0.00 53.44 52.75 1yaj n ALA 149 Cb 0.44 0.17 0.74 0.00 0.00 0.00 0.00 19.45 20.80 1yaj n ALA 149 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1yaj h SER 150 N -0.77 0.00 -0.88 0.00 0.02 -1.92 0.29 113.55 110.30 1yaj h SER 150 Ca -0.60 0.00 0.24 0.00 -0.84 0.00 0.00 61.79 60.59 1yaj h SER 150 Cb 1.56 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 64.05 1yaj h SER 150 CO -0.34 0.00 0.61 0.74 -1.14 0.00 0.00 176.83 176.70 1yaj h THR 151 N 0.00 0.60 -3.66 -2.27 2.02 -1.95 -3.37 112.91 104.28 1yaj h THR 151 Ca 0.63 -0.05 -0.64 0.00 0.77 0.00 0.00 66.41 67.12 1yaj h THR 151 Cb 2.68 0.44 -0.21 0.00 -1.74 0.00 0.00 68.15 69.32 1yaj h THR 151 CO -0.01 0.03 -0.60 -0.31 0.37 0.00 0.00 175.52 175.00 1yaj s TYR 152 N -5.14 3.13 -0.24 3.16 1.51 0.10 -4.01 117.35 115.86 1yaj s TYR 152 Ca -0.06 -0.25 -0.10 0.00 -1.01 0.00 0.00 57.07 55.64 1yaj s TYR 152 Cb 0.22 -2.25 -0.05 0.00 -0.11 0.00 0.00 41.96 39.77 1yaj s TYR 152 CO 0.77 -0.26 0.16 0.34 -1.11 0.00 0.00 175.55 175.45 1yaj s ASP 153 N 1.50 6.09 0.09 2.29 3.68 -1.26 -4.97 116.67 124.09 1yaj s ASP 153 Ca 0.06 0.11 0.24 0.00 2.13 0.00 0.00 52.55 55.08 1yaj s ASP 153 Cb -0.15 -2.10 0.24 0.00 -1.45 0.00 0.00 42.92 39.46 1yaj s ASP 153 CO 0.05 0.07 1.21 0.61 0.13 0.00 0.00 175.17 177.24 1yaj n GLY 154 N 4.27 -1.33 0.17 2.66 0.00 -1.26 -4.55 105.19 105.14 1yaj n GLY 154 Ca -0.15 -0.31 -0.02 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.04 -0.33 0.07 0.99 7.94 -1.26 0.10 117.00 122.47 1yaj n LEU 155 Ca 0.03 0.73 -0.13 0.00 -1.11 0.00 0.00 56.01 55.53 1yaj n LEU 155 Cb 0.44 -0.14 -0.08 0.00 0.53 0.00 0.00 43.42 44.16 1yaj n LEU 155 CO 0.38 -0.64 0.68 0.00 -1.11 0.00 0.00 177.39 176.70 1yaj h ALA 156 N 0.46 -0.16 0.00 1.96 0.00 -1.86 -2.54 119.26 117.11 1yaj h ALA 156 Ca 0.12 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1yaj h ALA 156 Cb 0.22 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1yaj h ALA 156 CO -0.41 -0.45 -0.05 1.25 0.00 0.00 0.00 179.25 179.59 1yaj h LEU 157 N -0.44 0.00 0.16 0.00 5.85 -0.60 -1.57 115.31 118.72 1yaj h LEU 157 Ca -0.02 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1yaj h LEU 157 Cb 0.36 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.39 1yaj h LEU 157 CO 0.03 0.05 -0.08 0.00 -0.34 0.00 0.00 178.44 178.10 1yaj h ALA 158 N 1.95 -0.37 -0.21 1.25 0.00 -0.22 -3.20 119.26 118.46 1yaj h ALA 158 Ca -0.00 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.89 1yaj h ALA 158 Cb 0.11 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1yaj h ALA 158 CO 0.01 -0.36 0.06 0.00 0.00 0.00 0.00 179.25 178.96 1yaj h ALA 159 N -1.57 0.22 0.00 0.00 0.00 -1.43 0.49 119.26 116.98 1yaj h ALA 159 Ca -0.02 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1yaj h ALA 159 Cb 0.16 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1yaj h ALA 159 CO 0.04 -0.37 -0.01 0.45 0.00 0.00 0.00 179.25 179.35 1yaj h HIS 160 N 0.15 0.00 0.00 0.00 -0.00 -1.46 -3.18 115.15 110.66 1yaj h HIS 160 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.46 1yaj h HIS 160 Cb 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.49 1yaj h HIS 160 CO -0.13 0.01 0.00 0.39 -0.00 0.00 0.00 177.93 178.20 1yaj n GLU 161 N -3.77 0.75 -3.55 2.45 -0.58 -1.11 -4.99 120.64 109.83 1yaj n GLU 161 Ca -0.03 -0.72 -0.25 0.00 -0.42 0.00 0.00 57.16 55.74 1yaj n GLU 161 Cb 0.10 -0.75 0.04 0.00 -0.57 0.00 0.00 31.44 30.26 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 -0.16 -5.79 -3.96 1.62 4.05 0.17 -5.01 115.26 106.18 1yaj n ASN 162 Ca 0.00 -0.86 -0.10 0.00 0.45 0.00 0.00 54.58 54.06 1yaj n ASN 162 Cb 0.28 -3.75 -0.12 0.00 1.23 0.00 0.00 39.78 37.42 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 -3.36 0.14 -0.34 3.44 -7.23 -1.03 -4.61 120.40 107.41 1yaj s VAL 163 Ca 0.39 -0.71 -0.25 0.00 -1.81 0.00 0.00 61.98 59.60 1yaj s VAL 163 Cb -0.12 -0.25 0.01 0.00 0.56 0.00 0.00 36.38 36.58 1yaj s VAL 163 CO 0.83 -0.36 0.86 -0.69 -0.31 0.00 0.00 175.10 175.43 1yaj s VAL 164 N -1.10 4.68 -0.21 1.32 1.01 -0.94 -4.33 120.40 120.84 1yaj s VAL 164 Ca -0.11 1.17 -0.15 0.00 0.00 0.00 0.00 61.98 62.89 1yaj s VAL 164 Cb -0.08 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.02 1yaj s VAL 164 CO -0.01 -0.41 0.36 -0.69 0.00 0.00 0.00 175.10 174.36 1yaj s VAL 165 N 3.22 5.22 -0.11 2.92 1.01 -0.81 -1.46 120.40 130.40 1yaj s VAL 165 Ca 0.35 0.63 0.03 0.00 0.00 0.00 0.00 61.98 62.99 1yaj s VAL 165 Cb -0.13 -3.69 -0.00 0.00 0.00 0.00 0.00 36.38 32.55 1yaj s VAL 165 CO 0.16 0.27 -0.22 -0.69 0.00 0.00 0.00 175.10 174.61 1yaj s VAL 166 N 1.27 2.21 -0.17 2.92 1.01 -0.76 -0.62 120.40 126.26 1yaj s VAL 166 Ca 0.17 -0.96 -0.01 0.00 0.00 0.00 0.00 61.98 61.18 1yaj s VAL 166 Cb -0.15 -1.86 -0.00 0.00 0.00 0.00 0.00 36.38 34.37 1yaj s VAL 166 CO 0.07 0.55 -0.13 0.42 0.00 0.00 0.00 175.10 176.02 1yaj s THR 167 N 0.37 2.77 0.33 3.92 -4.23 0.42 0.69 115.64 119.91 1yaj s THR 167 Ca -0.17 -0.72 0.08 0.00 -1.18 0.00 0.00 61.69 59.69 1yaj s THR 167 Cb -0.18 -2.19 -0.03 0.00 1.34 0.00 0.00 72.50 71.44 1yaj s THR 167 CO 0.08 0.50 0.26 0.27 -0.54 0.00 0.00 174.62 175.18 1yaj s ILE 168 N 1.03 3.46 0.11 2.99 -4.36 -1.18 -0.13 121.20 123.13 1yaj s ILE 168 Ca -0.01 -1.44 0.05 0.00 -0.26 0.00 0.00 60.65 58.99 1yaj s ILE 168 Cb -0.15 -3.15 -0.04 0.00 1.25 0.00 0.00 42.46 40.38 1yaj s ILE 168 CO -0.03 -0.18 -0.14 -1.10 0.24 0.00 0.00 174.94 173.73 1yaj s GLN 169 N -3.96 0.97 -0.01 0.37 -0.21 -0.88 -4.53 119.66 111.41 1yaj s GLN 169 Ca 0.40 -1.19 -0.14 0.00 0.02 0.00 0.00 55.36 54.45 1yaj s GLN 169 Cb -0.05 -0.84 0.02 0.00 1.00 0.00 0.00 33.01 33.14 1yaj s GLN 169 CO 0.26 0.16 0.30 1.52 -2.12 0.00 0.00 175.29 175.41 1yaj s TYR 170 N -2.06 -0.16 0.34 0.91 1.13 -1.26 -4.48 117.35 111.77 1yaj s TYR 170 Ca 0.07 0.22 -0.27 0.00 -1.41 0.00 0.00 57.07 55.68 1yaj s TYR 170 Cb -0.05 0.09 -0.12 0.00 -1.10 0.00 0.00 41.96 40.77 1yaj s TYR 170 CO 0.02 -0.39 1.15 0.54 -2.51 0.00 0.00 175.55 174.37 1yaj n ARG 171 N 1.24 1.73 -4.42 -3.49 1.74 -1.26 -4.83 116.66 107.37 1yaj n ARG 171 Ca -0.22 0.61 -0.26 0.00 -0.77 0.00 0.00 57.85 57.22 1yaj n ARG 171 Cb 0.56 -2.13 -0.09 0.00 -1.02 0.00 0.00 32.46 29.78 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 -0.52 2.91 0.00 0.55 1.43 -1.26 -4.22 118.68 117.57 1yaj s LEU 172 Ca 0.58 -1.14 0.00 0.00 -1.03 0.00 0.00 54.13 52.54 1yaj s LEU 172 Cb -0.60 -1.17 0.00 0.00 0.03 0.00 0.00 46.19 44.44 1yaj s LEU 172 CO 0.60 -0.32 0.00 0.61 0.23 0.00 0.00 176.35 177.48 1yaj n GLY 173 N -0.95 2.86 0.19 -3.19 0.00 0.11 -2.33 105.19 101.87 1yaj n GLY 173 Ca -0.04 -0.10 -0.11 0.00 0.00 0.00 0.00 46.02 45.77 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 0.65 -1.07 -0.61 2.04 -1.90 0.22 117.51 116.83 1yaj h ILE 174 Ca 0.00 0.00 0.29 0.00 1.00 0.00 0.00 64.86 66.15 1yaj h ILE 174 Cb 0.00 0.65 -0.09 0.00 -0.74 0.00 0.00 36.82 36.64 1yaj h ILE 174 CO 0.00 0.00 0.70 -0.50 0.00 0.00 0.00 178.15 178.35 1yaj h TRP 175 N -0.26 0.54 -0.00 1.37 6.55 -1.85 -1.60 115.95 120.70 1yaj h TRP 175 Ca 0.04 0.02 0.00 0.00 0.95 0.00 0.00 58.89 59.90 1yaj h TRP 175 Cb 0.31 -0.15 0.00 0.00 -0.86 0.00 0.00 29.16 28.45 1yaj h TRP 175 CO -0.19 0.04 -0.39 0.41 -1.05 0.00 0.00 178.44 177.25 1yaj n GLY 176 N -1.52 -0.06 0.00 1.49 0.00 -0.94 -4.38 105.19 99.77 1yaj n GLY 176 Ca 0.26 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.83 0.00 -1.68 1.61 3.72 0.72 0.47 117.46 121.47 1yaj n PHE 177 Ca 0.03 -0.01 -0.46 0.00 -0.05 0.00 0.00 57.45 56.96 1yaj n PHE 177 Cb 0.20 -0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.69 1yaj n PHE 177 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1yaj n PHE 178 N -0.01 2.33 -3.82 1.38 -0.00 -0.63 -4.51 117.46 112.21 1yaj n PHE 178 Ca 0.00 0.11 -0.13 0.00 -0.00 0.00 0.00 57.45 57.43 1yaj n PHE 178 Cb 0.24 -2.61 -0.14 0.00 -0.00 0.00 0.00 39.48 36.97 1yaj n PHE 178 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 1yaj s SER 179 N 2.34 -0.01 0.00 -2.13 0.15 -1.26 -4.33 113.70 108.46 1yaj s SER 179 Ca 0.85 0.09 0.20 0.00 0.70 0.00 0.00 55.95 57.79 1yaj s SER 179 Cb -0.66 0.04 0.53 0.00 -1.71 0.00 0.00 66.02 64.22 1yaj s SER 179 CO 0.43 -0.06 1.44 0.35 1.20 0.00 0.00 173.24 176.60 1yaj n THR 180 N 3.54 0.57 0.00 6.45 -2.24 -1.10 -4.45 114.28 117.05 1yaj n THR 180 Ca -0.19 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 60.91 1yaj n THR 180 Cb 0.56 0.59 0.00 0.00 -2.10 0.00 0.00 70.33 69.38 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 1.40 2.04 0.00 3.38 0.00 -1.26 -4.49 105.19 106.26 1yaj n GLY 181 Ca 0.19 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 3.58 0.00 -0.11 1.61 3.85 -1.26 -4.82 116.55 119.41 1yaj n ASP 182 Ca 0.00 0.00 0.11 0.00 -0.71 0.00 0.00 54.79 54.19 1yaj n ASP 182 Cb 0.00 0.00 0.10 0.00 -1.35 0.00 0.00 41.12 39.87 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 0.29 0.00 0.11 0.00 -1.26 -3.55 120.64 116.23 1yaj n GLU 183 Ca 0.00 -0.21 0.05 0.00 0.00 0.00 0.00 57.16 57.00 1yaj n GLU 183 Cb 0.00 -1.50 0.31 0.00 0.00 0.00 0.00 31.44 30.26 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 -1.17 0.00 0.00 -1.84 8.25 -1.26 -4.10 115.22 115.10 1yaj n HIS 184 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 1yaj n HIS 184 Cb 0.35 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.46 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 -0.74 0.00 -0.37 0.41 2.88 -1.26 -4.91 113.62 109.63 1yaj n SER 185 Ca 0.08 0.00 0.28 0.00 -1.33 0.00 0.00 58.87 57.90 1yaj n SER 185 Cb 0.04 0.00 0.55 0.00 -0.75 0.00 0.00 64.21 64.05 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 0.00 0.25 0.00 -1.46 3.08 -1.71 -2.92 114.38 111.62 1yaj h ARG 186 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1yaj h ARG 186 Cb 0.00 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 29.99 1yaj h ARG 186 CO 0.00 0.17 0.00 0.41 -1.07 0.00 0.00 179.97 179.48 1yaj n GLY 187 N -1.44 -2.23 2.26 0.04 0.00 -1.26 -4.64 105.19 97.91 1yaj n GLY 187 Ca 0.31 -2.06 -0.12 0.00 0.00 0.00 0.00 46.02 44.15 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 0.01 -4.00 -0.36 1.61 3.02 -1.25 -4.91 115.26 109.38 1yaj n ASN 188 Ca 0.00 0.05 0.02 0.00 -0.03 0.00 0.00 54.58 54.62 1yaj n ASN 188 Cb 0.00 -3.07 0.17 0.00 -0.61 0.00 0.00 39.78 36.27 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 1.20 0.09 3.10 4.06 -1.29 -0.37 115.95 122.74 1yaj h TRP 189 Ca -0.28 0.03 0.02 0.00 2.06 0.00 0.00 58.89 60.72 1yaj h TRP 189 Cb 1.13 -0.40 -0.04 0.00 -1.00 0.00 0.00 29.16 28.85 1yaj h TRP 189 CO 0.33 0.65 -0.34 0.78 -3.56 0.00 0.00 178.44 176.30 1yaj h GLY 190 N 1.20 -0.64 2.00 1.49 0.00 -0.17 0.22 103.07 107.17 1yaj h GLY 190 Ca 0.42 0.41 -0.01 0.00 0.00 0.00 0.00 47.33 48.14 1yaj h GLY 190 CO -0.15 -0.25 -0.06 0.45 0.00 0.00 0.00 176.54 176.53 1yaj h HIS 191 N -0.55 0.00 -0.03 5.60 3.86 -1.64 -0.57 115.15 121.82 1yaj h HIS 191 Ca 0.04 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 59.07 1yaj h HIS 191 Cb 0.59 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.05 1yaj h HIS 191 CO -0.32 0.06 -0.76 -0.07 0.86 0.00 0.00 177.93 177.70 1yaj h LEU 192 N 0.00 0.27 -0.88 2.43 3.38 -0.10 -2.45 115.31 117.97 1yaj h LEU 192 Ca -0.00 -0.19 -0.10 0.00 0.09 0.00 0.00 57.88 57.68 1yaj h LEU 192 Cb 0.14 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1yaj h LEU 192 CO 0.01 0.93 -0.24 0.44 0.09 0.00 0.00 178.44 179.67 1yaj h ASP 193 N 0.14 0.57 -0.41 -0.43 3.32 0.61 0.14 116.42 120.35 1yaj h ASP 193 Ca -0.03 -0.19 -0.10 0.00 0.02 0.00 0.00 57.03 56.73 1yaj h ASP 193 Cb 1.34 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.72 1yaj h ASP 193 CO 0.12 0.80 -0.15 1.56 -1.72 0.00 0.00 179.24 179.84 1yaj h GLN 194 N 0.50 0.82 -0.35 3.56 4.20 -1.35 -0.81 115.11 121.67 1yaj h GLN 194 Ca 0.07 -0.34 -0.07 0.00 0.06 0.00 0.00 58.65 58.37 1yaj h GLN 194 Cb 0.68 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.41 1yaj h GLN 194 CO 0.05 0.97 -0.09 0.28 -0.67 0.00 0.00 178.83 179.37 1yaj h VAL 195 N 0.64 1.23 -0.49 -0.54 2.07 -1.01 -2.18 116.25 115.98 1yaj h VAL 195 Ca 0.10 -1.02 -0.07 0.00 0.82 0.00 0.00 66.70 66.53 1yaj h VAL 195 Cb 0.70 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 1yaj h VAL 195 CO 0.05 0.34 0.01 0.00 0.02 0.00 0.00 177.57 178.00 1yaj h ALA 196 N 1.35 1.11 0.78 1.67 0.00 -0.19 -2.11 119.26 121.88 1yaj h ALA 196 Ca 0.10 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 1yaj h ALA 196 Cb 0.49 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.09 1yaj h ALA 196 CO 0.03 0.57 -0.37 0.00 0.00 0.00 0.00 179.25 179.47 1yaj h ALA 197 N 1.26 -1.05 -1.21 0.00 0.00 -0.69 -2.23 119.26 115.35 1yaj h ALA 197 Ca 0.15 -0.24 0.36 0.00 0.00 0.00 0.00 54.91 55.18 1yaj h ALA 197 Cb 0.44 0.41 -0.11 0.00 0.00 0.00 0.00 17.79 18.53 1yaj h ALA 197 CO 0.02 -1.04 0.79 -0.07 0.00 0.00 0.00 179.25 178.94 1yaj h LEU 198 N -1.14 0.30 -0.32 0.00 3.38 -1.24 1.32 115.31 117.60 1yaj h LEU 198 Ca -0.11 0.10 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 1yaj h LEU 198 Cb 0.82 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 1yaj h LEU 198 CO 0.18 -0.05 -0.14 -0.09 0.09 0.00 0.00 178.44 178.43 1yaj h ARG 199 N 0.20 0.66 -0.77 1.13 2.43 -1.05 -2.04 114.38 114.95 1yaj h ARG 199 Ca 0.71 -0.28 0.07 0.00 -0.81 0.00 0.00 59.98 59.66 1yaj h ARG 199 Cb 2.13 -0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 31.60 1yaj h ARG 199 CO -0.32 0.87 0.45 2.35 -1.51 0.00 0.00 179.97 181.81 1yaj h TRP 200 N 0.43 0.83 -0.12 2.20 7.01 0.22 -1.86 115.95 124.67 1yaj h TRP 200 Ca 0.07 0.03 0.03 0.00 2.11 0.00 0.00 58.89 61.13 1yaj h TRP 200 Cb 0.66 -0.26 -0.02 0.00 -2.10 0.00 0.00 29.16 27.43 1yaj h TRP 200 CO 0.06 0.40 -0.04 0.28 -2.79 0.00 0.00 178.44 176.35 1yaj h VAL 201 N 0.82 0.86 -0.00 2.65 2.07 -0.95 0.79 116.25 122.49 1yaj h VAL 201 Ca 0.34 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.87 1yaj h VAL 201 Cb 0.21 0.86 -0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1yaj h VAL 201 CO -0.19 0.00 0.13 1.56 0.02 0.00 0.00 177.57 179.09 1yaj h GLN 202 N -0.01 0.00 -0.01 1.57 1.08 -0.61 -0.32 115.11 116.82 1yaj h GLN 202 Ca 0.06 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.26 1yaj h GLN 202 Cb 0.10 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.53 1yaj h GLN 202 CO -0.13 0.00 -0.10 -0.25 -0.95 0.00 0.00 178.83 177.40 1yaj n ASP 203 N -3.02 1.14 0.00 1.46 8.00 -0.57 -4.82 116.55 118.74 1yaj n ASP 203 Ca -0.03 -1.07 0.00 0.00 0.71 0.00 0.00 54.79 54.41 1yaj n ASP 203 Cb 0.19 0.35 0.00 0.00 -0.02 0.00 0.00 41.12 41.64 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 -0.14 1.29 0.07 -2.24 3.02 0.17 -4.73 115.26 112.70 1yaj n ASN 204 Ca 0.03 0.00 0.19 0.00 -0.03 0.00 0.00 54.58 54.77 1yaj n ASN 204 Cb 0.15 0.07 0.56 0.00 -0.61 0.00 0.00 39.78 39.95 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 0.13 0.17 2.41 6.09 -1.24 -0.39 117.51 124.68 1yaj h ILE 205 Ca 0.00 0.00 -0.01 0.00 -1.37 0.00 0.00 64.86 63.48 1yaj h ILE 205 Cb 0.29 0.35 0.00 0.00 0.47 0.00 0.00 36.82 37.93 1yaj h ILE 205 CO 0.00 0.00 -0.08 0.00 -3.07 0.00 0.00 178.15 175.00 1yaj h ALA 206 N 0.95 -0.23 0.00 0.18 0.00 -1.78 -1.73 119.26 116.65 1yaj h ALA 206 Ca 0.23 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1yaj h ALA 206 Cb 1.73 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.60 1yaj h ALA 206 CO -0.00 -0.61 0.04 0.43 0.00 0.00 0.00 179.25 179.10 1yaj n SER 207 N -5.18 0.49 -1.65 0.00 7.64 -0.15 -0.64 113.62 114.14 1yaj n SER 207 Ca -0.09 0.71 0.07 0.00 1.01 0.00 0.00 58.87 60.58 1yaj n SER 207 Cb 0.12 -0.77 0.35 0.00 -1.01 0.00 0.00 64.21 62.91 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 -2.17 1.67 -1.71 1.43 3.01 -0.71 -4.80 117.46 114.17 1yaj n PHE 208 Ca -0.01 -0.61 -0.08 0.00 1.01 0.00 0.00 57.45 57.76 1yaj n PHE 208 Cb 0.07 -0.37 -0.02 0.00 -0.01 0.00 0.00 39.48 39.15 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 0.79 0.51 3.74 1.37 0.00 0.19 -4.74 105.19 107.06 1yaj n GLY 209 Ca 0.25 -0.59 -0.24 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.76 2.29 -0.31 -0.02 0.00 -0.85 -1.36 107.32 104.31 1yaj s GLY 210 Ca 0.00 -2.08 -0.03 0.00 0.00 0.00 0.00 44.72 42.61 1yaj s GLY 210 CO 0.00 -1.89 0.02 0.21 0.00 0.00 0.00 173.10 171.43 1yaj s ASN 211 N -3.90 4.96 0.55 1.64 2.47 1.02 -3.91 114.94 117.77 1yaj s ASN 211 Ca 0.41 -1.23 0.35 0.00 0.42 0.00 0.00 52.86 52.81 1yaj s ASN 211 Cb 0.03 -1.74 1.90 0.00 -1.45 0.00 0.00 41.25 39.99 1yaj s ASN 211 CO 0.23 -0.27 2.06 1.55 -3.72 0.00 0.00 177.10 176.95 1yaj h PRO 212 N 8.04 0.00 -0.15 0.43 0.13 -1.88 0.22 132.00 138.79 1yaj h PRO 212 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 1yaj h PRO 212 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1yaj h PRO 212 CO 0.55 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.73 1yaj n GLY 213 N -1.17 -0.11 2.70 1.56 0.00 -1.26 -4.28 105.19 102.63 1yaj n GLY 213 Ca -0.02 -0.27 -0.06 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 0.21 -4.74 1.61 2.88 0.07 -4.94 113.62 108.70 1yaj n SER 214 Ca 0.12 -2.48 -0.40 0.00 -1.33 0.00 0.00 58.87 54.77 1yaj n SER 214 Cb 0.21 0.04 -0.05 0.00 -0.75 0.00 0.00 64.21 63.66 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 -1.96 4.21 -0.15 2.46 1.01 -1.25 -2.77 120.40 121.96 1yaj s VAL 215 Ca 0.24 2.06 0.00 0.00 0.00 0.00 0.00 61.98 64.28 1yaj s VAL 215 Cb 0.42 -4.31 0.02 0.00 0.00 0.00 0.00 36.38 32.51 1yaj s VAL 215 CO -0.03 0.42 -0.14 -0.89 0.00 0.00 0.00 175.10 174.47 1yaj s THR 216 N -0.71 1.57 -0.17 3.92 2.01 -0.15 -0.68 115.64 121.43 1yaj s THR 216 Ca 0.44 -0.65 -0.09 0.00 0.31 0.00 0.00 61.69 61.70 1yaj s THR 216 Cb -0.25 -1.49 -0.05 0.00 0.01 0.00 0.00 72.50 70.73 1yaj s THR 216 CO 0.31 0.43 0.12 0.27 -0.69 0.00 0.00 174.62 175.07 1yaj s ILE 217 N 1.49 5.36 -0.03 1.82 -4.36 -0.57 -0.84 121.20 124.08 1yaj s ILE 217 Ca 0.05 0.17 -0.05 0.00 -0.26 0.00 0.00 60.65 60.55 1yaj s ILE 217 Cb -0.13 -3.41 0.01 0.00 1.25 0.00 0.00 42.46 40.18 1yaj s ILE 217 CO -0.10 0.50 0.13 0.72 0.24 0.00 0.00 174.94 176.43 1yaj s PHE 218 N -0.12 -0.05 0.25 1.37 -0.71 -0.81 -0.35 117.98 117.56 1yaj s PHE 218 Ca 0.10 0.11 -0.05 0.00 -1.04 0.00 0.00 56.93 56.05 1yaj s PHE 218 Cb -0.11 -0.00 -0.02 0.00 -1.21 0.00 0.00 43.02 41.67 1yaj s PHE 218 CO 0.00 -0.17 0.32 0.20 -1.34 0.00 0.00 175.22 174.23 1yaj s GLY 219 N -0.60 1.17 -0.02 1.99 0.00 -0.58 -0.67 107.32 108.61 1yaj s GLY 219 Ca -0.07 -1.39 0.02 0.00 0.00 0.00 0.00 44.72 43.28 1yaj s GLY 219 CO 0.01 -1.06 -0.07 1.85 0.00 0.00 0.00 173.10 173.82 1yaj s GLU 220 N -3.91 0.74 7.87 2.90 -6.30 -1.23 -0.08 118.70 118.70 1yaj s GLU 220 Ca 0.32 -0.24 0.00 0.00 -2.50 0.00 0.00 54.97 52.55 1yaj s GLU 220 Cb 0.03 -0.71 0.00 0.00 0.00 0.00 0.00 34.13 33.44 1yaj s GLU 220 CO 0.13 0.10 0.00 0.45 0.02 0.00 0.00 175.26 175.96 1yaj n SER 221 N 3.24 0.00 -0.27 -1.70 2.88 -0.04 -1.56 113.62 116.17 1yaj n SER 221 Ca -0.17 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.38 1yaj n SER 221 Cb 0.55 0.00 0.15 0.00 -0.75 0.00 0.00 64.21 64.16 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 -0.88 1.08 -0.57 -1.46 0.00 -1.87 0.89 119.26 116.45 1yaj h ALA 222 Ca 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1yaj h ALA 222 Cb 0.00 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1yaj h ALA 222 CO 0.00 0.07 0.31 0.78 0.00 0.00 0.00 179.25 180.41 1yaj h GLY 223 N 0.74 0.84 1.02 0.00 0.00 -1.21 0.17 103.07 104.64 1yaj h GLY 223 Ca 0.37 -0.36 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 1yaj h GLY 223 CO -0.23 0.35 0.30 -1.33 0.00 0.00 0.00 176.54 175.62 1yaj h GLY 224 N 0.86 1.14 0.77 4.60 0.00 0.81 -1.59 103.07 109.66 1yaj h GLY 224 Ca 0.20 -0.61 -0.02 0.00 0.00 0.00 0.00 47.33 46.90 1yaj h GLY 224 CO -0.03 0.58 -0.19 -2.09 0.00 0.00 0.00 176.54 174.81 1yaj h GLU 225 N 1.02 -0.50 -0.98 4.80 4.22 0.13 -2.91 114.58 120.35 1yaj h GLU 225 Ca 0.24 0.03 0.33 0.00 0.08 0.00 0.00 59.36 60.05 1yaj h GLU 225 Cb 0.19 0.11 -0.16 0.00 0.50 0.00 0.00 28.75 29.40 1yaj h GLU 225 CO -0.02 -0.21 0.46 0.77 -2.18 0.00 0.00 179.01 177.82 1yaj h SER 226 N -0.76 0.29 0.00 1.04 0.02 -0.46 0.01 113.55 113.69 1yaj h SER 226 Ca -0.05 0.22 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1yaj h SER 226 Cb 0.52 0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.29 1yaj h SER 226 CO 0.09 -0.25 0.00 0.52 -1.14 0.00 0.00 176.83 176.05 1yaj n VAL 227 N -5.18 0.00 -0.43 2.27 0.31 -0.62 -1.10 118.33 113.58 1yaj n VAL 227 Ca 0.31 1.43 0.37 0.00 -0.01 0.00 0.00 64.34 66.44 1yaj n VAL 227 Cb 1.01 -2.35 0.65 0.00 -0.91 0.00 0.00 33.84 32.24 1yaj n VAL 227 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 1yaj h SER 228 N 0.00 0.24 0.70 4.52 0.87 -0.91 0.95 113.55 119.92 1yaj h SER 228 Ca 0.00 0.18 -0.03 0.00 -1.23 0.00 0.00 61.79 60.71 1yaj h SER 228 Cb 0.00 0.19 0.01 0.00 -0.44 0.00 0.00 62.40 62.15 1yaj h SER 228 CO 0.00 -0.30 -0.34 0.58 -0.53 0.00 0.00 176.83 176.25 1yaj h VAL 229 N 0.02 0.24 -0.08 2.23 2.07 -0.64 -2.66 116.25 117.44 1yaj h VAL 229 Ca 0.86 -0.16 0.02 0.00 0.82 0.00 0.00 66.70 68.25 1yaj h VAL 229 Cb 2.63 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 32.67 1yaj h VAL 229 CO -0.55 0.02 0.22 -0.07 0.02 0.00 0.00 177.57 177.21 1yaj h LEU 230 N -1.06 0.00 -0.07 2.57 3.38 0.77 -0.05 115.31 120.85 1yaj h LEU 230 Ca -0.10 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 1yaj h LEU 230 Cb 0.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1yaj h LEU 230 CO 0.16 0.00 -0.17 0.58 0.09 0.00 0.00 178.44 179.10 1yaj h VAL 231 N 0.00 1.42 0.00 1.22 2.07 -0.98 -3.04 116.25 116.94 1yaj h VAL 231 Ca 0.04 -1.51 0.00 0.00 0.82 0.00 0.00 66.70 66.05 1yaj h VAL 231 Cb 0.47 2.25 0.00 0.00 -1.52 0.00 0.00 31.29 32.49 1yaj h VAL 231 CO -0.00 0.42 0.00 0.18 0.02 0.00 0.00 177.57 178.19 1yaj n LEU 232 N -4.58 0.00 -4.76 2.57 4.77 -0.13 -4.84 117.00 110.03 1yaj n LEU 232 Ca -0.08 0.30 -0.40 0.00 -0.03 0.00 0.00 56.01 55.80 1yaj n LEU 232 Cb 0.40 -0.30 -0.06 0.00 -2.33 0.00 0.00 43.42 41.13 1yaj n LEU 232 CO 0.38 -0.03 0.48 -0.55 -1.33 0.00 0.00 177.39 176.35 1yaj s SER 233 N -2.60 7.32 0.34 -1.43 0.15 -0.63 -4.93 113.70 111.93 1yaj s SER 233 Ca 0.25 1.57 0.27 0.00 0.70 0.00 0.00 55.95 58.74 1yaj s SER 233 Cb 0.18 -2.49 0.92 0.00 -1.71 0.00 0.00 66.02 62.92 1yaj s SER 233 CO 0.42 0.12 1.78 -0.65 1.20 0.00 0.00 173.24 176.11 1yaj h PRO 234 N 4.90 0.00 0.18 5.44 0.11 -1.86 -3.22 132.00 137.56 1yaj h PRO 234 Ca -0.46 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.39 1yaj h PRO 234 Cb 1.21 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.34 1yaj h PRO 234 CO 0.68 0.00 -1.23 -0.07 -0.21 0.00 0.00 178.00 177.18 1yaj h LEU 235 N 0.00 0.59 0.00 2.35 3.38 -1.86 -3.29 115.31 116.48 1yaj h LEU 235 Ca 0.00 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 57.05 1yaj h LEU 235 Cb 0.60 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1yaj h LEU 235 CO 0.00 1.58 0.00 0.00 0.09 0.00 0.00 178.44 180.11 1yaj n ALA 236 N -2.76 1.57 -1.60 1.53 0.00 -1.22 -4.84 120.51 113.21 1yaj n ALA 236 Ca -0.18 -0.04 -0.44 0.00 0.00 0.00 0.00 53.44 52.78 1yaj n ALA 236 Cb 0.95 -1.17 -0.01 0.00 0.00 0.00 0.00 19.45 19.22 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 -1.40 1.40 -1.45 0.00 4.81 -1.24 -1.85 118.16 118.43 1yaj n LYS 237 Ca 0.04 0.49 -0.16 0.00 -0.87 0.00 0.00 58.31 57.81 1yaj n LYS 237 Cb 0.11 -1.88 -0.07 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 1.16 -5.51 -0.00 3.14 3.02 -1.26 -4.78 115.26 111.02 1yaj n ASN 238 Ca 0.09 0.39 0.08 0.00 -0.03 0.00 0.00 54.58 55.11 1yaj n ASN 238 Cb 0.33 -4.46 -0.11 0.00 -0.61 0.00 0.00 39.78 34.92 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 -1.80 0.25 -4.02 3.41 4.77 -0.77 -5.00 117.00 113.84 1yaj n LEU 239 Ca -0.16 -0.17 -0.10 0.00 -0.03 0.00 0.00 56.01 55.56 1yaj n LEU 239 Cb 0.63 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.65 1yaj n LEU 239 CO 0.24 0.06 -0.06 0.72 -1.33 0.00 0.00 177.39 177.02 1yaj s PHE 240 N -2.92 0.54 0.00 -1.77 -0.71 -1.26 -4.81 117.98 107.04 1yaj s PHE 240 Ca -0.02 -0.89 0.00 0.00 -1.04 0.00 0.00 56.93 54.98 1yaj s PHE 240 Cb 0.11 -0.14 0.00 0.00 -1.21 0.00 0.00 43.02 41.78 1yaj s PHE 240 CO 0.67 -0.71 0.00 0.72 -1.34 0.00 0.00 175.22 174.56 1yaj n HIS 241 N -0.22 0.00 -3.81 3.49 8.25 0.15 -4.94 115.22 118.14 1yaj n HIS 241 Ca -0.05 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.28 1yaj n HIS 241 Cb 0.63 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.64 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 -1.10 0.47 0.07 -0.41 0.52 -1.13 -4.14 118.95 113.23 1yaj s ARG 242 Ca 0.00 -0.05 0.02 0.00 -0.52 0.00 0.00 55.73 55.18 1yaj s ARG 242 Cb 0.00 0.21 -0.03 0.00 0.52 0.00 0.00 34.95 35.65 1yaj s ARG 242 CO 0.00 -0.11 -0.08 0.00 0.02 0.00 0.00 175.30 175.14 1yaj s ALA 243 N -0.80 0.76 -0.08 2.13 0.00 -0.94 -1.51 121.76 121.33 1yaj s ALA 243 Ca -0.09 -1.00 -0.03 0.00 0.00 0.00 0.00 51.96 50.84 1yaj s ALA 243 Cb -0.05 0.08 0.05 0.00 0.00 0.00 0.00 23.12 23.20 1yaj s ALA 243 CO 0.02 -0.09 0.16 0.42 0.00 0.00 0.00 175.76 176.26 1yaj s ILE 244 N -2.25 -0.23 -0.27 0.00 1.01 0.53 -2.01 121.20 117.99 1yaj s ILE 244 Ca -0.01 0.33 -0.04 0.00 0.00 0.00 0.00 60.65 60.92 1yaj s ILE 244 Cb -0.04 -0.29 0.01 0.00 0.01 0.00 0.00 42.46 42.16 1yaj s ILE 244 CO -0.01 0.14 0.01 -0.44 0.00 0.00 0.00 174.94 174.64 1yaj s SER 245 N 2.10 4.74 -0.29 3.58 0.01 -0.33 -1.52 113.70 121.99 1yaj s SER 245 Ca 0.01 -0.75 -0.10 0.00 1.31 0.00 0.00 55.95 56.41 1yaj s SER 245 Cb -0.12 -1.78 -0.03 0.00 0.21 0.00 0.00 66.02 64.30 1yaj s SER 245 CO -0.06 -0.15 0.17 -1.61 0.41 0.00 0.00 173.24 172.00 1yaj s GLU 246 N 1.43 3.66 -0.46 12.44 2.02 0.89 -2.57 118.70 136.10 1yaj s GLU 246 Ca 0.02 -0.51 -0.29 0.00 0.02 0.00 0.00 54.97 54.21 1yaj s GLU 246 Cb -0.17 -3.61 0.04 0.00 0.10 0.00 0.00 34.13 30.49 1yaj s GLU 246 CO -0.01 -0.29 0.64 0.43 0.02 0.00 0.00 175.26 176.06 1yaj n SER 247 N 5.03 -6.36 0.00 -0.19 7.64 -0.96 -0.86 113.62 117.92 1yaj n SER 247 Ca -0.14 0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.79 1yaj n SER 247 Cb 0.51 -3.00 0.00 0.00 -1.01 0.00 0.00 64.21 60.71 1yaj n SER 247 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1yaj n GLY 248 N -0.31 4.11 1.44 0.23 0.00 -1.26 -1.81 105.19 107.58 1yaj n GLY 248 Ca -0.02 -0.89 -0.10 0.00 0.00 0.00 0.00 46.02 45.00 1yaj n GLY 248 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1yaj n VAL 249 N 0.00 0.00 0.15 1.61 0.24 -1.26 -3.30 118.33 115.76 1yaj n VAL 249 Ca 0.00 -1.04 0.01 0.00 -2.04 0.00 0.00 64.34 61.27 1yaj n VAL 249 Cb 0.00 0.42 0.16 0.00 -1.47 0.00 0.00 33.84 32.95 1yaj n VAL 249 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1yaj h ALA 250 N 1.34 0.83 0.00 2.33 0.00 -1.87 -2.82 119.26 119.07 1yaj h ALA 250 Ca -0.13 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1yaj h ALA 250 Cb 0.53 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1yaj h ALA 250 CO 0.20 0.70 0.00 -0.11 0.00 0.00 0.00 179.25 180.04 1yaj n LEU 251 N -3.52 0.00 -4.57 0.00 0.00 -1.26 -4.57 117.00 103.07 1yaj n LEU 251 Ca -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 56.01 55.61 1yaj n LEU 251 Cb 0.65 0.00 -0.02 0.00 0.00 0.00 0.00 43.42 44.05 1yaj n LEU 251 CO 0.40 0.00 1.78 -0.89 0.00 0.00 0.00 177.39 178.68 1yaj s THR 252 N -2.00 3.98 0.01 1.96 2.01 -1.06 -4.92 115.64 115.62 1yaj s THR 252 Ca 0.26 -1.45 -0.03 0.00 0.31 0.00 0.00 61.69 60.78 1yaj s THR 252 Cb 0.12 -5.05 -0.01 0.00 0.01 0.00 0.00 72.50 67.57 1yaj s THR 252 CO 0.20 -1.85 0.46 -1.20 -0.69 0.00 0.00 174.62 171.54 1yaj n SER 253 N 9.39 -0.09 -0.14 3.53 7.64 -1.26 -1.84 113.62 130.84 1yaj n SER 253 Ca 0.44 0.48 0.11 0.00 1.01 0.00 0.00 58.87 60.91 1yaj n SER 253 Cb 0.47 -0.19 0.20 0.00 -1.01 0.00 0.00 64.21 63.69 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 -2.85 -0.18 0.58 0.44 3.14 -1.26 0.11 118.33 118.30 1yaj n VAL 254 Ca 0.00 0.91 0.12 0.00 -2.96 0.00 0.00 64.34 62.41 1yaj n VAL 254 Cb 0.02 -1.41 0.10 0.00 -1.06 0.00 0.00 33.84 31.50 1yaj n VAL 254 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1yaj n LEU 255 N -4.18 0.65 -4.28 6.55 4.77 -0.76 -4.77 117.00 114.98 1yaj n LEU 255 Ca 0.14 0.11 -0.35 0.00 -0.03 0.00 0.00 56.01 55.87 1yaj n LEU 255 Cb 0.46 -0.14 -0.14 0.00 -2.33 0.00 0.00 43.42 41.27 1yaj n LEU 255 CO -0.01 -0.01 -0.37 -0.69 -1.33 0.00 0.00 177.39 174.98 1yaj s VAL 256 N -3.18 3.32 -0.05 4.08 1.01 0.30 -2.44 120.40 123.44 1yaj s VAL 256 Ca 0.05 -0.74 -0.20 0.00 0.00 0.00 0.00 61.98 61.09 1yaj s VAL 256 Cb 0.14 -2.62 -0.05 0.00 0.00 0.00 0.00 36.38 33.85 1yaj s VAL 256 CO 0.76 0.26 0.56 -0.54 0.00 0.00 0.00 175.10 176.14 1yaj s LYS 257 N 1.42 4.32 0.05 2.72 -0.14 -0.76 -4.77 119.74 122.58 1yaj s LYS 257 Ca 0.03 0.64 0.06 0.00 -1.36 0.00 0.00 55.97 55.35 1yaj s LYS 257 Cb -0.16 -3.38 -0.02 0.00 -1.68 0.00 0.00 37.83 32.59 1yaj s LYS 257 CO -0.02 0.28 -0.17 0.15 -0.76 0.00 0.00 175.35 174.82 1yaj s LYS 258 N 0.16 1.12 0.00 1.68 1.02 -1.26 -4.38 119.74 118.09 1yaj s LYS 258 Ca 0.30 -0.88 0.00 0.00 0.02 0.00 0.00 55.97 55.41 1yaj s LYS 258 Cb -0.17 -1.20 0.00 0.00 -0.52 0.00 0.00 37.83 35.94 1yaj s LYS 258 CO 0.15 0.30 0.00 0.41 -0.92 0.00 0.00 175.35 175.29 1yaj n GLY 259 N 1.76 -1.78 3.57 -3.33 0.00 -1.26 -4.88 105.19 99.26 1yaj n GLY 259 Ca -0.18 -2.04 -0.41 0.00 0.00 0.00 0.00 46.02 43.39 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 -4.00 5.99 0.05 1.61 2.15 -1.26 -4.85 116.67 116.36 1yaj s ASP 260 Ca 0.00 0.30 0.27 0.00 0.43 0.00 0.00 52.55 53.55 1yaj s ASP 260 Cb 0.00 -2.54 0.90 0.00 -0.30 0.00 0.00 42.92 40.97 1yaj s ASP 260 CO 0.00 -1.82 1.72 1.33 -0.17 0.00 0.00 175.17 176.23 1yaj n VAL 261 N 6.91 0.14 -0.31 1.11 0.24 -1.26 -4.24 118.33 120.92 1yaj n VAL 261 Ca 0.13 -0.08 -0.04 0.00 -2.04 0.00 0.00 64.34 62.32 1yaj n VAL 261 Cb 0.49 -0.29 0.01 0.00 -1.47 0.00 0.00 33.84 32.58 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 0.00 -0.08 -0.64 7.34 1.63 -1.85 0.27 116.57 123.24 1yaj h LYS 262 Ca 0.00 0.01 0.13 0.00 -0.85 0.00 0.00 60.65 59.94 1yaj h LYS 262 Cb 0.56 0.02 -0.12 0.00 -0.60 0.00 0.00 32.23 32.09 1yaj h LYS 262 CO 0.00 -0.05 -0.15 -1.35 -3.45 0.00 0.00 179.45 174.45 1yaj h PRO 263 N -0.08 0.01 -0.81 1.90 0.11 -1.96 0.32 132.00 131.49 1yaj h PRO 263 Ca 0.28 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.37 1yaj h PRO 263 Cb 0.57 -0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.64 1yaj h PRO 263 CO -0.85 0.01 0.46 1.25 -0.21 0.00 0.00 178.00 178.65 1yaj h LEU 264 N 0.01 0.99 -0.70 2.35 6.46 -1.28 0.13 115.31 123.28 1yaj h LEU 264 Ca 0.31 -0.07 -0.05 0.00 -0.12 0.00 0.00 57.88 57.96 1yaj h LEU 264 Cb 0.48 -0.25 -0.03 0.00 -0.73 0.00 0.00 40.66 40.13 1yaj h LEU 264 CO -0.66 0.78 0.26 0.00 -0.62 0.00 0.00 178.44 178.21 1yaj h ALA 265 N 1.38 0.91 -0.31 1.25 0.00 0.57 -2.20 119.26 120.86 1yaj h ALA 265 Ca 0.29 -0.19 -0.16 0.00 0.00 0.00 0.00 54.91 54.85 1yaj h ALA 265 Cb -0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1yaj h ALA 265 CO -0.05 0.55 -0.44 0.93 0.00 0.00 0.00 179.25 180.24 1yaj h GLU 266 N 1.01 0.79 -0.40 0.00 5.08 -0.01 -2.12 114.58 118.92 1yaj h GLU 266 Ca 0.23 -0.44 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 1yaj h GLU 266 Cb 0.24 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 1yaj h GLU 266 CO -0.02 1.06 0.20 0.37 -1.00 0.00 0.00 179.01 179.63 1yaj h GLN 267 N 0.63 0.55 -0.05 2.33 4.15 -0.44 -0.29 115.11 121.99 1yaj h GLN 267 Ca 0.04 -0.06 -0.25 0.00 0.77 0.00 0.00 58.65 59.16 1yaj h GLN 267 Cb 1.01 -0.11 0.02 0.00 0.21 0.00 0.00 27.48 28.60 1yaj h GLN 267 CO 0.10 0.43 -0.93 0.82 -1.93 0.00 0.00 178.83 177.31 1yaj h ILE 268 N 0.56 1.28 0.46 2.39 2.04 -1.26 -3.01 117.51 119.96 1yaj h ILE 268 Ca 0.14 -2.14 -0.01 0.00 1.00 0.00 0.00 64.86 63.85 1yaj h ILE 268 Cb 0.05 2.25 -0.02 0.00 -0.74 0.00 0.00 36.82 38.36 1yaj h ILE 268 CO -0.02 0.67 -0.40 0.00 0.00 0.00 0.00 178.15 178.39 1yaj h ALA 269 N 0.45 -0.91 -0.14 1.87 0.00 -0.67 -1.98 119.26 117.88 1yaj h ALA 269 Ca -0.10 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.70 1yaj h ALA 269 Cb 1.58 0.56 -0.05 0.00 0.00 0.00 0.00 17.79 19.88 1yaj h ALA 269 CO 0.19 -1.04 -0.15 0.82 0.00 0.00 0.00 179.25 179.06 1yaj h ILE 270 N -0.86 0.59 -1.00 0.00 2.04 -1.18 -0.51 117.51 116.60 1yaj h ILE 270 Ca -0.05 0.00 0.29 0.00 1.00 0.00 0.00 64.86 66.10 1yaj h ILE 270 Cb 0.75 0.59 -0.04 0.00 -0.74 0.00 0.00 36.82 37.38 1yaj h ILE 270 CO -0.03 0.00 0.76 0.74 0.00 0.00 0.00 178.15 179.62 1yaj h THR 271 N -0.18 0.42 0.00 -0.27 2.02 -1.36 0.55 112.91 114.08 1yaj h THR 271 Ca 0.10 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.28 1yaj h THR 271 Cb 0.33 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 67.19 1yaj h THR 271 CO -0.25 0.00 -0.89 0.00 0.37 0.00 0.00 175.52 174.76 1yaj n ALA 272 N -2.67 2.98 -0.58 6.16 0.00 -0.29 -4.93 120.51 121.18 1yaj n ALA 272 Ca 0.21 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1yaj n ALA 272 Cb 1.10 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 19.47 1yaj n ALA 272 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yaj n GLY 273 N 1.31 0.72 2.73 0.00 0.00 0.19 -5.10 105.19 105.05 1yaj n GLY 273 Ca 0.02 -0.59 -0.18 0.00 0.00 0.00 0.00 46.02 45.27 1yaj n GLY 273 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yaj n LYS 275 N 5.01 -0.05 -0.02 0.00 4.01 -1.26 -4.05 118.16 121.80 1yaj n LYS 275 Ca -0.10 0.02 0.03 0.00 -0.51 0.00 0.00 58.31 57.75 1yaj n LYS 275 Cb 0.50 -1.66 0.04 0.00 -0.51 0.00 0.00 35.03 33.40 1yaj n LYS 275 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 1yaj n THR 276 N -2.94 1.20 -0.25 -0.18 -2.24 -1.26 -4.37 114.28 104.24 1yaj n THR 276 Ca 0.06 -1.31 -0.07 0.00 -2.27 0.00 0.00 64.05 60.47 1yaj n THR 276 Cb 0.53 0.31 -0.06 0.00 -2.10 0.00 0.00 70.33 69.01 1yaj n THR 276 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1yaj n THR 277 N -0.73 -0.40 -3.99 4.28 -1.04 -1.26 -4.54 114.28 106.59 1yaj n THR 277 Ca 0.04 1.69 -0.11 0.00 -2.04 0.00 0.00 64.05 63.63 1yaj n THR 277 Cb 0.36 -2.11 -0.12 0.00 -1.82 0.00 0.00 70.33 66.64 1yaj n THR 277 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1yaj s THR 278 N -4.85 0.20 0.36 12.58 -4.23 -1.26 -5.03 115.64 113.41 1yaj s THR 278 Ca -0.07 -0.72 0.15 0.00 -1.18 0.00 0.00 61.69 59.88 1yaj s THR 278 Cb 0.07 -0.29 0.36 0.00 1.34 0.00 0.00 72.50 73.98 1yaj s THR 278 CO 0.37 -0.33 1.72 0.28 -0.54 0.00 0.00 174.62 176.12 1yaj h SER 279 N 5.01 0.53 0.14 3.99 0.02 -1.96 0.22 113.55 121.51 1yaj h SER 279 Ca -0.31 0.13 0.02 0.00 -0.84 0.00 0.00 61.79 60.79 1yaj h SER 279 Cb 1.21 0.05 -0.03 0.00 0.14 0.00 0.00 62.40 63.77 1yaj h SER 279 CO 0.44 0.03 -0.27 0.00 -1.14 0.00 0.00 176.83 175.88 1yaj h ALA 280 N 1.70 -0.48 -0.89 3.77 0.00 -1.95 -0.69 119.26 120.73 1yaj h ALA 280 Ca 0.66 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.51 1yaj h ALA 280 Cb 1.52 0.43 -0.04 0.00 0.00 0.00 0.00 17.79 19.70 1yaj h ALA 280 CO -0.43 -0.82 0.50 0.28 0.00 0.00 0.00 179.25 178.78 1yaj h VAL 281 N -0.50 1.25 0.17 0.00 2.07 -1.38 -1.54 116.25 116.33 1yaj h VAL 281 Ca 0.03 -0.61 0.01 0.00 0.82 0.00 0.00 66.70 66.94 1yaj h VAL 281 Cb 0.51 0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.29 1yaj h VAL 281 CO -0.14 0.28 -0.44 0.24 0.02 0.00 0.00 177.57 177.53 1yaj h MET 282 N 1.24 -0.65 -0.94 1.57 2.86 -0.61 0.69 114.93 119.09 1yaj h MET 282 Ca 0.31 0.04 0.10 0.00 -2.06 0.00 0.00 59.70 58.10 1yaj h MET 282 Cb 0.01 0.15 -0.08 0.00 0.06 0.00 0.00 31.60 31.74 1yaj h MET 282 CO -0.05 -0.43 0.58 0.28 1.06 0.00 0.00 176.91 178.34 1yaj h VAL 283 N -0.67 0.93 -0.35 -2.22 2.07 -0.95 -1.82 116.25 113.25 1yaj h VAL 283 Ca -0.02 -0.32 0.03 0.00 0.82 0.00 0.00 66.70 67.21 1yaj h VAL 283 Cb 0.65 -0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 1yaj h VAL 283 CO -0.20 0.17 0.16 -0.74 0.02 0.00 0.00 177.57 176.98 1yaj h HIS 284 N 0.94 0.29 -0.26 1.57 -0.00 -0.61 -2.49 115.15 114.59 1yaj h HIS 284 Ca 0.45 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.84 1yaj h HIS 284 Cb 0.41 -0.08 -0.01 0.00 -0.00 0.00 0.00 27.41 27.73 1yaj h HIS 284 CO -0.02 0.15 0.16 0.00 -0.00 0.00 0.00 177.93 178.22 1yaj h LEU 286 N 0.34 0.00 -1.39 0.00 3.38 -1.16 0.49 115.31 116.96 1yaj h LEU 286 Ca 0.09 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1yaj h LEU 286 Cb -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 1yaj h LEU 286 CO -0.02 0.00 -0.17 0.03 0.09 0.00 0.00 178.44 178.38 1yaj h ARG 287 N 0.00 0.00 0.00 1.13 3.08 -0.93 -1.51 114.38 116.16 1yaj h ARG 287 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1yaj h ARG 287 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.24 1yaj h ARG 287 CO -0.00 0.17 -0.12 1.04 -1.07 0.00 0.00 179.97 179.98 1yaj n GLN 288 N -3.40 0.16 -2.36 0.04 1.13 0.17 -4.86 117.38 108.26 1yaj n GLN 288 Ca -0.00 0.11 -0.32 0.00 -1.94 0.00 0.00 57.00 54.85 1yaj n GLN 288 Cb 0.36 -1.67 -0.03 0.00 0.11 0.00 0.00 30.24 29.01 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 -3.07 3.91 0.69 -1.09 -0.14 -0.57 -5.08 119.74 114.40 1yaj s LYS 289 Ca 0.11 0.92 0.02 0.00 -1.36 0.00 0.00 55.97 55.66 1yaj s LYS 289 Cb 0.15 -2.14 0.12 0.00 -1.68 0.00 0.00 37.83 34.28 1yaj s LYS 289 CO 0.60 -0.29 0.95 0.95 -0.76 0.00 0.00 175.35 176.80 1yaj s THR 290 N -2.67 2.11 0.04 2.17 -4.23 -1.26 -4.95 115.64 106.85 1yaj s THR 290 Ca 0.58 -0.69 -0.23 0.00 -1.18 0.00 0.00 61.69 60.17 1yaj s THR 290 Cb -0.10 -2.42 -0.16 0.00 1.34 0.00 0.00 72.50 71.16 1yaj s THR 290 CO 0.33 0.00 1.49 -0.08 -0.54 0.00 0.00 174.62 175.82 1yaj h GLU 291 N -0.38 0.10 -0.60 3.99 4.81 -1.98 -1.98 114.58 118.54 1yaj h GLU 291 Ca -0.34 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 58.79 1yaj h GLU 291 Cb 1.27 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.61 1yaj h GLU 291 CO 0.40 0.35 0.12 0.93 -0.73 0.00 0.00 179.01 180.08 1yaj h GLU 292 N -0.16 0.96 0.00 1.92 3.07 -1.97 0.21 114.58 118.60 1yaj h GLU 292 Ca 0.02 -0.22 -0.00 0.00 -0.50 0.00 0.00 59.36 58.66 1yaj h GLU 292 Cb 0.30 -0.13 -0.00 0.00 -0.84 0.00 0.00 28.75 28.08 1yaj h GLU 292 CO 0.00 0.87 -0.00 0.93 -1.40 0.00 0.00 179.01 179.41 1yaj h GLU 293 N 0.91 0.00 0.00 2.33 5.08 -1.90 0.15 114.58 121.15 1yaj h GLU 293 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1yaj h GLU 293 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1yaj h GLU 293 CO 0.00 0.00 -1.33 1.28 -1.00 0.00 0.00 179.01 177.97 1yaj n LEU 294 N -3.11 0.35 0.06 1.33 4.77 -0.53 -3.80 117.00 116.07 1yaj n LEU 294 Ca -0.02 -0.22 -0.15 0.00 -0.03 0.00 0.00 56.01 55.59 1yaj n LEU 294 Cb 0.14 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.09 1yaj n LEU 294 CO 0.22 0.09 -0.27 0.25 -1.33 0.00 0.00 177.39 176.35 1yaj h LEU 295 N 0.00 0.30 -0.64 2.23 5.85 0.08 -2.49 115.31 120.65 1yaj h LEU 295 Ca 0.00 -0.41 -0.13 0.00 0.84 0.00 0.00 57.88 58.18 1yaj h LEU 295 Cb 0.60 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 1yaj h LEU 295 CO 0.00 1.34 -0.32 -0.33 -0.34 0.00 0.00 178.44 178.79 1yaj h GLU 296 N 0.05 0.71 -0.31 1.25 5.08 -1.17 -2.14 114.58 118.05 1yaj h GLU 296 Ca -0.21 -0.33 -0.05 0.00 -1.00 0.00 0.00 59.36 57.78 1yaj h GLU 296 Cb 1.98 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 31.21 1yaj h GLU 296 CO 0.15 0.94 0.02 1.15 -1.00 0.00 0.00 179.01 180.26 1yaj h THR 297 N 0.60 1.25 -0.20 1.13 2.02 -1.65 0.76 112.91 116.81 1yaj h THR 297 Ca 0.07 -0.90 0.06 0.00 0.77 0.00 0.00 66.41 66.40 1yaj h THR 297 Cb 0.84 1.23 -0.01 0.00 -1.74 0.00 0.00 68.15 68.47 1yaj h THR 297 CO 0.07 0.29 0.17 0.74 0.37 0.00 0.00 175.52 177.17 1yaj h THR 298 N 0.35 0.66 0.00 3.16 2.02 -1.27 0.15 112.91 117.98 1yaj h THR 298 Ca 0.09 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.27 1yaj h THR 298 Cb 0.41 0.87 -0.00 0.00 -1.74 0.00 0.00 68.15 67.69 1yaj h THR 298 CO 0.01 0.00 -0.03 -0.07 0.37 0.00 0.00 175.52 175.80 1yaj h LEU 299 N 0.00 0.00 -0.99 2.58 3.38 -0.71 -3.32 115.31 116.26 1yaj h LEU 299 Ca 0.09 -0.43 0.13 0.00 0.09 0.00 0.00 57.88 57.77 1yaj h LEU 299 Cb 0.44 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.10 1yaj h LEU 299 CO -0.00 0.73 0.61 0.11 0.09 0.00 0.00 178.44 179.98 1yaj h LYS 300 N -1.00 0.89 0.00 1.13 1.57 -0.31 0.13 116.57 118.98 1yaj h LYS 300 Ca -0.01 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1yaj h LYS 300 Cb 0.45 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1yaj h LYS 300 CO -0.00 0.59 0.00 0.52 -0.57 0.00 0.00 179.45 179.99 1yaj h MET 301 N 0.92 0.00 -6.45 3.15 2.86 -0.85 -3.47 114.93 111.10 1yaj h MET 301 Ca 0.51 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.90 1yaj h MET 301 Cb 0.58 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.25 1yaj h MET 301 CO -0.29 0.00 -1.13 1.63 1.06 0.00 0.00 176.91 178.18 1yaj n LYS 302 N -2.55 -1.42 -3.06 1.72 5.02 0.03 -4.97 118.16 112.93 1yaj n LYS 302 Ca -0.02 1.25 -0.18 0.00 -2.02 0.00 0.00 58.31 57.34 1yaj n LYS 302 Cb 0.06 -1.83 0.02 0.00 -0.02 0.00 0.00 35.03 33.26 1yaj n LYS 302 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1yaj s PHE 303 N -1.34 2.39 -1.37 2.13 2.99 -1.26 -4.41 117.98 117.10 1yaj s PHE 303 Ca 0.25 -0.50 0.00 0.00 0.00 0.00 0.00 56.93 56.68 1yaj s PHE 303 Cb -0.03 -2.31 0.00 0.00 0.00 0.00 0.00 43.02 40.68 1yaj s PHE 303 CO 0.59 -0.61 0.00 -0.11 -0.00 0.00 0.00 175.22 175.09 1yaj n LEU 304 N -1.94 -0.56 -3.75 -0.37 -0.00 -1.16 -4.93 117.00 104.29 1yaj n LEU 304 Ca 0.10 0.32 -0.16 0.00 -0.00 0.00 0.00 56.01 56.27 1yaj n LEU 304 Cb 0.60 -2.72 -0.16 0.00 -0.00 0.00 0.00 43.42 41.14 1yaj n LEU 304 CO 0.39 -1.05 -0.33 -0.44 -0.00 0.00 0.00 177.39 175.96 1yaj s SER 305 N -2.47 0.26 -0.18 1.96 0.01 -1.26 -4.20 113.70 107.82 1yaj s SER 305 Ca 0.00 0.08 -0.29 0.00 1.31 0.00 0.00 55.95 57.05 1yaj s SER 305 Cb 0.00 -0.05 -0.02 0.00 0.21 0.00 0.00 66.02 66.17 1yaj s SER 305 CO 0.00 -0.16 1.33 -0.22 0.41 0.00 0.00 173.24 174.61 1yaj s LEU 306 N 1.31 4.14 -0.55 2.44 2.96 -1.25 -4.97 118.68 122.75 1yaj s LEU 306 Ca -0.06 1.68 -0.25 0.00 -0.22 0.00 0.00 54.13 55.28 1yaj s LEU 306 Cb -0.13 -3.54 0.04 0.00 0.50 0.00 0.00 46.19 43.07 1yaj s LEU 306 CO -0.03 -0.86 0.98 -0.62 -1.32 0.00 0.00 176.35 174.50 1yaj s ASP 307 N 2.38 6.36 0.00 3.68 3.68 -1.26 -4.98 116.67 126.53 1yaj s ASP 307 Ca 0.58 -0.27 0.00 0.00 2.13 0.00 0.00 52.55 54.99 1yaj s ASP 307 Cb -0.22 -2.45 0.00 0.00 -1.45 0.00 0.00 42.92 38.79 1yaj s ASP 307 CO 0.18 -1.26 0.38 0.18 0.13 0.00 0.00 175.17 174.77 1yaj n LEU 308 N 7.61 0.00 -4.73 -1.34 4.77 -1.26 -4.62 117.00 117.44 1yaj n LEU 308 Ca 0.03 0.38 -0.42 0.00 -0.03 0.00 0.00 56.01 55.97 1yaj n LEU 308 Cb 0.48 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.54 1yaj n LEU 308 CO 0.65 0.00 1.08 0.00 -1.33 0.00 0.00 177.39 177.79 1yaj s GLN 309 N -0.75 4.30 0.00 3.23 0.00 -1.26 -4.87 119.66 120.31 1yaj s GLN 309 Ca 0.00 2.18 0.00 0.00 -0.00 0.00 0.00 55.36 57.54 1yaj s GLN 309 Cb 0.00 -3.19 0.00 0.00 0.00 0.00 0.00 33.01 29.82 1yaj s GLN 309 CO 0.00 -0.42 0.00 0.41 0.00 0.00 0.00 175.29 175.28 1yaj n GLY 310 N 2.98 3.83 3.66 2.60 0.00 -1.26 -5.02 105.19 111.97 1yaj n GLY 310 Ca 0.10 -1.49 -0.50 0.00 0.00 0.00 0.00 46.02 44.13 1yaj n GLY 310 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1yaj n ASP 311 N 0.00 3.17 -0.31 1.61 -0.08 -1.26 -4.85 116.55 114.83 1yaj n ASP 311 Ca 0.00 0.90 0.11 0.00 -1.51 0.00 0.00 54.79 54.28 1yaj n ASP 311 Cb 0.00 -1.34 0.28 0.00 2.34 0.00 0.00 41.12 42.40 1yaj n ASP 311 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1yaj h PRO 312 N 9.54 0.56 -0.19 -0.67 0.11 -1.91 -1.92 132.00 137.52 1yaj h PRO 312 Ca -0.46 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 65.66 1yaj h PRO 312 Cb 1.28 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1yaj h PRO 312 CO 0.96 0.37 0.13 0.00 -0.21 0.00 0.00 178.00 179.26 1yaj h ARG 313 N 0.58 0.06 0.03 1.05 3.08 -1.93 -2.82 114.38 114.43 1yaj h ARG 313 Ca 0.52 -0.00 -0.21 0.00 0.07 0.00 0.00 59.98 60.36 1yaj h ARG 313 Cb 0.86 -0.01 0.02 0.00 0.08 0.00 0.00 29.97 30.91 1yaj h ARG 313 CO -0.42 0.04 -0.86 0.93 -1.07 0.00 0.00 179.97 178.59 1yaj h GLU 314 N 0.06 0.52 -6.05 0.04 5.08 -1.72 -3.46 114.58 109.05 1yaj h GLU 314 Ca 0.09 -0.61 -0.82 0.00 -1.00 0.00 0.00 59.36 57.02 1yaj h GLU 314 Cb 0.28 0.18 0.02 0.00 0.50 0.00 0.00 28.75 29.73 1yaj h GLU 314 CO -0.01 1.23 0.59 0.43 -1.00 0.00 0.00 179.01 180.25 1yaj n SER 315 N -4.04 1.22 -4.60 1.42 7.64 -1.06 -4.89 113.62 109.32 1yaj n SER 315 Ca -0.11 1.16 -0.42 0.00 1.01 0.00 0.00 58.87 60.50 1yaj n SER 315 Cb 0.80 -0.96 -0.05 0.00 -1.01 0.00 0.00 64.21 62.99 1yaj n SER 315 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1yaj s GLN 316 N 2.33 3.84 -0.00 1.43 0.00 -1.26 -4.84 119.66 121.16 1yaj s GLN 316 Ca 1.00 0.40 -0.19 0.00 -0.00 0.00 0.00 55.36 56.56 1yaj s GLN 316 Cb -1.33 -3.77 -0.11 0.00 0.00 0.00 0.00 33.01 27.80 1yaj s GLN 316 CO 0.71 -0.75 0.91 -1.00 0.00 0.00 0.00 175.29 175.16 1yaj h PRO 317 N 8.31 -0.68 -1.49 9.60 0.13 -1.90 -3.45 132.00 142.52 1yaj h PRO 317 Ca -0.25 0.05 0.19 0.00 -0.87 0.00 0.00 66.00 65.12 1yaj h PRO 317 Cb 1.10 0.15 -0.22 0.00 0.13 0.00 0.00 31.00 32.17 1yaj h PRO 317 CO 0.88 -0.45 0.74 -0.48 -0.23 0.00 0.00 178.00 178.47 1yaj s LEU 318 N -8.54 -0.20 -0.04 1.56 0.05 -1.26 -2.97 118.68 107.28 1yaj s LEU 318 Ca -0.10 0.11 -0.30 0.00 0.05 0.00 0.00 54.13 53.89 1yaj s LEU 318 Cb 0.01 1.51 -0.03 0.00 -2.05 0.00 0.00 46.19 45.63 1yaj s LEU 318 CO 0.31 -0.26 1.10 -0.76 -0.55 0.00 0.00 176.35 176.19 1yaj s LEU 319 N -1.67 4.31 0.00 1.48 1.43 -1.26 -4.97 118.68 118.00 1yaj s LEU 319 Ca 0.06 1.73 0.00 0.00 -1.03 0.00 0.00 54.13 54.89 1yaj s LEU 319 Cb -0.01 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.65 1yaj s LEU 319 CO -0.04 -0.45 0.00 0.61 0.23 0.00 0.00 176.35 176.69 1yaj n GLY 320 N 3.16 3.33 3.51 -3.19 0.00 -1.26 -4.73 105.19 106.01 1yaj n GLY 320 Ca 0.09 -1.20 -0.53 0.00 0.00 0.00 0.00 46.02 44.38 1yaj n GLY 320 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1yaj n THR 321 N 0.00 0.67 -4.42 2.61 -1.04 -1.02 -4.72 114.28 106.36 1yaj n THR 321 Ca 0.00 -0.17 -0.23 0.00 -2.04 0.00 0.00 64.05 61.61 1yaj n THR 321 Cb 0.00 -0.34 -0.08 0.00 -1.82 0.00 0.00 70.33 68.09 1yaj n THR 321 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 1yaj s VAL 322 N -0.21 0.33 -0.57 12.58 -7.23 -1.26 -1.83 120.40 122.21 1yaj s VAL 322 Ca 0.80 -2.00 -0.15 0.00 -1.81 0.00 0.00 61.98 58.82 1yaj s VAL 322 Cb -1.04 -2.39 0.14 0.00 0.56 0.00 0.00 36.38 33.65 1yaj s VAL 322 CO 0.54 0.00 0.52 -0.63 -0.31 0.00 0.00 175.10 175.22 1yaj s ILE 323 N -3.32 5.10 -2.12 -0.62 -1.09 -1.26 -4.77 121.20 113.13 1yaj s ILE 323 Ca 0.30 -1.71 0.24 0.00 -2.23 0.00 0.00 60.65 57.25 1yaj s ILE 323 Cb 0.02 -4.26 0.11 0.00 -1.58 0.00 0.00 42.46 36.75 1yaj s ILE 323 CO 0.20 -0.88 1.25 -0.90 -1.23 0.00 0.00 174.94 173.38 1yaj n ASP 324 N 4.98 1.90 0.00 3.58 3.85 -1.23 -4.95 116.55 124.68 1yaj n ASP 324 Ca -0.09 -1.44 0.00 0.00 -0.71 0.00 0.00 54.79 52.56 1yaj n ASP 324 Cb 0.41 0.32 0.00 0.00 -1.35 0.00 0.00 41.12 40.50 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 1.38 0.62 0.14 6.12 0.00 -0.83 -4.82 105.19 107.80 1yaj n GLY 325 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.20 0.00 0.13 1.61 2.81 -1.26 -4.62 117.12 113.59 1yaj n MET 326 Ca 0.00 0.00 0.02 0.00 -1.81 0.00 0.00 57.70 55.91 1yaj n MET 326 Cb 0.04 -0.01 0.39 0.00 -0.71 0.00 0.00 33.22 32.93 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 0.00 0.20 -6.90 4.03 6.46 -1.95 -3.39 115.31 113.77 1yaj h LEU 327 Ca 0.00 -0.04 -0.46 0.00 -0.12 0.00 0.00 57.88 57.26 1yaj h LEU 327 Cb 0.00 -0.05 -0.40 0.00 -0.73 0.00 0.00 40.66 39.48 1yaj h LEU 327 CO 0.00 0.37 -0.74 -0.76 -0.62 0.00 0.00 178.44 176.70 1yaj s LEU 328 N -8.72 0.31 0.34 2.25 1.43 -1.26 -4.24 118.68 108.79 1yaj s LEU 328 Ca -0.05 -0.78 0.15 0.00 -1.03 0.00 0.00 54.13 52.41 1yaj s LEU 328 Cb 0.15 -0.15 0.59 0.00 0.03 0.00 0.00 46.19 46.82 1yaj s LEU 328 CO 0.73 -0.38 1.72 -0.07 0.23 0.00 0.00 176.35 178.58 1yaj h LEU 329 N 8.39 0.00 0.00 1.79 3.38 -1.82 -2.21 115.31 124.85 1yaj h LEU 329 Ca -0.17 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.32 1yaj h LEU 329 Cb 1.10 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.72 1yaj h LEU 329 CO 0.34 0.46 -0.47 0.29 0.09 0.00 0.00 178.44 179.15 1yaj n LYS 330 N -3.74 0.42 -1.61 1.13 5.02 -1.26 -4.60 118.16 113.52 1yaj n LYS 330 Ca -0.01 -3.35 -0.30 0.00 -2.02 0.00 0.00 58.31 52.63 1yaj n LYS 330 Cb 0.52 2.70 0.09 0.00 -0.02 0.00 0.00 35.03 38.32 1yaj n LYS 330 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1yaj s THR 331 N -3.34 3.04 0.19 -0.18 -4.23 -1.26 -4.88 115.64 104.98 1yaj s THR 331 Ca 0.39 0.34 -0.08 0.00 -1.18 0.00 0.00 61.69 61.16 1yaj s THR 331 Cb 0.02 -3.13 0.04 0.00 1.34 0.00 0.00 72.50 70.77 1yaj s THR 331 CO 0.28 -0.44 1.61 -0.65 -0.54 0.00 0.00 174.62 174.88 1yaj h PRO 332 N -1.04 0.96 0.00 3.99 0.11 -2.00 -2.42 132.00 131.60 1yaj h PRO 332 Ca -0.47 -0.36 0.00 0.00 0.11 0.00 0.00 66.00 65.28 1yaj h PRO 332 Cb 1.27 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1yaj h PRO 332 CO 0.60 1.03 0.00 0.39 -0.21 0.00 0.00 178.00 179.81 1yaj n GLU 333 N -4.14 0.35 -0.03 1.05 4.71 -1.26 -2.92 120.64 118.40 1yaj n GLU 333 Ca 0.01 0.00 -0.08 0.00 -0.01 0.00 0.00 57.16 57.08 1yaj n GLU 333 Cb 0.41 -1.22 -0.03 0.00 -1.01 0.00 0.00 31.44 29.59 1yaj n GLU 333 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1yaj n GLU 334 N -0.72 0.19 0.29 3.49 1.02 -0.94 -4.72 120.64 119.24 1yaj n GLU 334 Ca 0.04 0.08 0.18 0.00 -0.02 0.00 0.00 57.16 57.44 1yaj n GLU 334 Cb 0.02 -0.82 0.98 0.00 -0.02 0.00 0.00 31.44 31.60 1yaj n GLU 334 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1yaj h LEU 335 N -0.33 0.00 -0.50 -4.62 3.38 -1.35 -2.07 115.31 109.83 1yaj h LEU 335 Ca -0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1yaj h LEU 335 Cb 0.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1yaj h LEU 335 CO -0.10 0.00 0.00 1.56 0.09 0.00 0.00 178.44 179.99 1yaj h GLN 336 N 0.00 0.00 0.00 1.13 4.20 -1.82 -3.11 115.11 115.50 1yaj h GLN 336 Ca 0.02 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.56 1yaj h GLN 336 Cb 0.18 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.94 1yaj h GLN 336 CO -0.00 0.00 -0.86 0.00 -0.67 0.00 0.00 178.83 177.30 1yaj h ALA 337 N 2.30 0.51 -2.72 3.87 0.00 -1.67 -3.46 119.26 118.08 1yaj h ALA 337 Ca 0.00 -0.76 -0.53 0.00 0.00 0.00 0.00 54.91 53.63 1yaj h ALA 337 Cb 0.57 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1yaj h ALA 337 CO 0.00 1.01 0.19 -2.00 0.00 0.00 0.00 179.25 178.45 1yaj s GLU 338 N -2.81 4.58 -0.22 0.00 2.12 -1.18 -5.00 118.70 116.20 1yaj s GLU 338 Ca 0.02 1.17 0.05 0.00 0.36 0.00 0.00 54.97 56.57 1yaj s GLU 338 Cb 0.09 -3.27 -0.20 0.00 0.26 0.00 0.00 34.13 31.00 1yaj s GLU 338 CO 0.79 0.54 -0.05 0.54 -0.54 0.00 0.00 175.26 176.55 1yaj n ARG 339 N 1.70 0.67 -1.55 4.30 3.00 -1.26 -4.83 116.66 118.69 1yaj n ARG 339 Ca -0.05 0.13 -0.15 0.00 -0.01 0.00 0.00 57.85 57.77 1yaj n ARG 339 Cb 0.49 -1.56 -0.10 0.00 0.00 0.00 0.00 32.46 31.30 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 -3.15 1.29 -3.46 0.55 4.13 -1.26 -4.73 115.26 108.63 1yaj n ASN 340 Ca -0.40 -1.32 -0.00 0.00 1.68 0.00 0.00 54.58 54.54 1yaj n ASN 340 Cb 1.04 -1.48 0.02 0.00 -1.54 0.00 0.00 39.78 37.82 1yaj n ASN 340 CO 0.00 0.00 0.00 0.33 0.28 0.00 0.00 177.26 177.87 1yaj n PHE 341 N 16.57 -0.84 -3.20 3.10 7.35 -1.26 -5.14 117.46 134.04 1yaj n PHE 341 Ca 0.50 -0.95 -0.39 0.00 -0.76 0.00 0.00 57.45 55.85 1yaj n PHE 341 Cb 0.38 0.45 -0.06 0.00 0.35 0.00 0.00 39.48 40.60 1yaj n PHE 341 CO 0.00 0.00 0.00 -1.58 -0.76 0.00 0.00 176.76 174.42 1yaj s HIS 342 N -2.16 3.41 0.08 -5.13 5.04 -1.26 -5.08 115.29 110.18 1yaj s HIS 342 Ca 0.25 0.87 0.09 0.00 -1.54 0.00 0.00 55.06 54.74 1yaj s HIS 342 Cb -0.02 -2.71 -0.03 0.00 0.04 0.00 0.00 32.58 29.86 1yaj s HIS 342 CO 0.02 -0.08 -0.23 0.95 -2.34 0.00 0.00 174.74 173.06 1yaj s THR 343 N 1.54 2.42 0.04 0.89 -4.23 -1.26 -5.03 115.64 110.01 1yaj s THR 343 Ca 0.27 -1.45 -0.10 0.00 -1.18 0.00 0.00 61.69 59.22 1yaj s THR 343 Cb -0.16 -2.02 0.01 0.00 1.34 0.00 0.00 72.50 71.67 1yaj s THR 343 CO 0.10 0.25 0.22 0.68 -0.54 0.00 0.00 174.62 175.33 1yaj s VAL 344 N -0.95 0.10 0.12 2.29 -7.23 -1.26 -5.03 120.40 108.44 1yaj s VAL 344 Ca 0.14 -0.86 -0.35 0.00 -1.81 0.00 0.00 61.98 59.10 1yaj s VAL 344 Cb -0.10 -0.93 -0.16 0.00 0.56 0.00 0.00 36.38 35.75 1yaj s VAL 344 CO 0.05 -0.47 1.34 -2.65 -0.31 0.00 0.00 175.10 173.06 1yaj n PRO 345 N 0.63 1.31 -3.85 4.82 -0.02 -1.26 -4.67 135.00 131.97 1yaj n PRO 345 Ca -0.19 0.47 -0.28 0.00 -2.02 0.00 0.00 63.50 61.49 1yaj n PRO 345 Cb 0.59 -2.10 -0.16 0.00 -0.02 0.00 0.00 33.50 31.80 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 0.39 1.51 -0.24 6.00 6.04 -0.61 -2.21 117.35 128.23 1yaj s TYR 346 Ca 0.81 -1.01 -0.15 0.00 0.04 0.00 0.00 57.07 56.76 1yaj s TYR 346 Cb -0.89 -1.22 -0.04 0.00 -1.04 0.00 0.00 41.96 38.77 1yaj s TYR 346 CO 0.47 -0.60 0.38 1.41 -1.54 0.00 0.00 175.55 175.66 1yaj s MET 347 N 1.70 4.08 -0.08 4.97 -2.45 -0.85 -1.73 119.30 124.93 1yaj s MET 347 Ca 0.00 0.10 0.01 0.00 -1.25 0.00 0.00 55.69 54.56 1yaj s MET 347 Cb -0.16 -3.60 0.02 0.00 1.25 0.00 0.00 34.83 32.33 1yaj s MET 347 CO -0.07 -0.18 -0.11 0.08 1.05 0.00 0.00 175.02 175.79 1yaj s VAL 348 N 1.75 1.12 0.15 10.11 1.01 0.03 -1.19 120.40 133.38 1yaj s VAL 348 Ca 0.17 -0.43 -0.01 0.00 0.00 0.00 0.00 61.98 61.70 1yaj s VAL 348 Cb -0.15 -1.05 -0.04 0.00 0.00 0.00 0.00 36.38 35.13 1yaj s VAL 348 CO 0.09 0.36 0.08 -0.83 0.00 0.00 0.00 175.10 174.80 1yaj s GLY 349 N 0.97 1.08 0.28 4.51 0.00 -1.06 -2.85 107.32 110.24 1yaj s GLY 349 Ca -0.09 -1.51 0.03 0.00 0.00 0.00 0.00 44.72 43.15 1yaj s GLY 349 CO -0.00 -1.36 0.11 0.29 0.00 0.00 0.00 173.10 172.14 1yaj n ILE 350 N -0.13 0.00 -4.33 0.90 -5.35 -0.76 -2.27 119.36 107.42 1yaj n ILE 350 Ca -0.04 -1.64 -0.23 0.00 -0.27 0.00 0.00 62.75 60.57 1yaj n ILE 350 Cb 0.64 0.61 -0.12 0.00 -1.74 0.00 0.00 39.64 39.04 1yaj n ILE 350 CO 0.00 0.00 0.00 0.20 -1.76 0.00 0.00 176.55 174.99 1yaj s ASN 351 N -2.72 2.74 0.11 7.28 0.02 -1.26 -1.29 114.94 119.82 1yaj s ASN 351 Ca 0.15 -0.81 -0.33 0.00 -1.02 0.00 0.00 52.86 50.85 1yaj s ASN 351 Cb 0.01 -0.16 -0.13 0.00 0.02 0.00 0.00 41.25 40.99 1yaj s ASN 351 CO 0.11 0.01 1.54 0.50 0.02 0.00 0.00 177.10 179.28 1yaj h LYS 352 N 3.50 -0.56 -3.27 -0.60 1.63 -1.31 -3.33 116.57 112.63 1yaj h LYS 352 Ca -0.44 0.04 -0.64 0.00 -0.85 0.00 0.00 60.65 58.76 1yaj h LYS 352 Cb 1.20 0.13 -0.41 0.00 -0.60 0.00 0.00 32.23 32.55 1yaj h LYS 352 CO 0.47 -0.37 -0.55 -0.65 -3.45 0.00 0.00 179.45 174.90 1yaj s GLN 353 N -5.63 2.31 0.15 1.90 -0.21 -0.31 -4.93 119.66 112.93 1yaj s GLN 353 Ca -0.15 -2.95 -0.13 0.00 0.02 0.00 0.00 55.36 52.15 1yaj s GLN 353 Cb 0.07 -3.44 0.02 0.00 1.00 0.00 0.00 33.01 30.66 1yaj s GLN 353 CO 0.59 -1.20 1.63 0.93 -2.12 0.00 0.00 175.29 175.13 1yaj h GLU 354 N 6.07 0.81 -1.24 2.91 4.39 -1.76 -3.02 114.58 122.73 1yaj h GLU 354 Ca 0.03 -0.22 -0.59 0.00 0.34 0.00 0.00 59.36 58.92 1yaj h GLU 354 Cb 0.84 -0.09 -0.25 0.00 -0.10 0.00 0.00 28.75 29.14 1yaj h GLU 354 CO 0.71 0.81 0.77 0.34 -1.16 0.00 0.00 179.01 180.48 1yaj n PHE 355 N -4.42 2.75 0.02 4.33 -0.00 -1.26 -3.73 117.46 115.15 1yaj n PHE 355 Ca 0.01 -2.68 -0.01 0.00 -0.00 0.00 0.00 57.45 54.77 1yaj n PHE 355 Cb 0.26 -1.31 -0.00 0.00 -0.00 0.00 0.00 39.48 38.42 1yaj n PHE 355 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 1yaj h GLY 356 N 2.28 -0.07 0.00 7.13 0.00 -1.86 -3.46 103.07 107.09 1yaj h GLY 356 Ca 0.52 0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.88 1yaj h GLY 356 CO 1.36 -0.03 -0.21 1.87 0.00 0.00 0.00 176.54 179.53 1yaj n TRP 357 N -2.42 0.00 0.00 5.60 -0.00 -1.26 -4.89 117.44 114.48 1yaj n TRP 357 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.49 1yaj n TRP 357 Cb 0.03 0.29 0.00 0.00 -0.00 0.00 0.00 31.31 31.62 1yaj n TRP 357 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 177.69 177.58 1yaj n LEU 358 N -2.36 0.00 -0.37 5.87 7.94 -1.26 -0.07 117.00 126.74 1yaj n LEU 358 Ca 0.00 0.10 -0.10 0.00 -1.11 0.00 0.00 56.01 54.90 1yaj n LEU 358 Cb 0.11 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 43.97 1yaj n LEU 358 CO 0.00 0.00 0.43 -0.38 -1.11 0.00 0.00 177.39 176.33 1yaj n ILE 359 N -0.19 -0.60 -0.17 1.96 5.41 -1.26 -0.55 119.36 123.96 1yaj n ILE 359 Ca 0.00 2.14 -0.05 0.00 1.00 0.00 0.00 62.75 65.84 1yaj n ILE 359 Cb 0.00 -2.65 0.01 0.00 -0.71 0.00 0.00 39.64 36.29 1yaj n ILE 359 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 1yaj h PRO 360 N 0.00 -0.16 -0.88 0.38 0.11 -1.86 0.28 132.00 129.87 1yaj h PRO 360 Ca 0.14 0.01 0.14 0.00 0.11 0.00 0.00 66.00 66.41 1yaj h PRO 360 Cb 0.37 0.04 -0.09 0.00 0.11 0.00 0.00 31.00 31.42 1yaj h PRO 360 CO -0.83 -0.10 0.48 1.98 -0.21 0.00 0.00 178.00 179.31 1yaj h MET 361 N -0.16 0.68 0.28 1.05 -1.53 0.21 0.24 114.93 115.70 1yaj h MET 361 Ca 0.22 -0.04 -0.01 0.00 -3.44 0.00 0.00 59.70 56.43 1yaj h MET 361 Cb 0.52 -0.15 0.00 0.00 -0.55 0.00 0.00 31.60 31.42 1yaj h MET 361 CO -0.61 0.45 -0.14 -0.07 0.14 0.00 0.00 176.91 176.69 1yaj h LEU 363 N 0.70 -0.32 0.00 3.39 3.38 0.82 -3.17 115.31 120.11 1yaj h LEU 363 Ca 0.47 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.45 1yaj h LEU 363 Cb 0.62 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1yaj h LEU 363 CO -0.34 -0.09 0.00 0.23 0.09 0.00 0.00 178.44 178.33 1yaj n MET 364 N -3.77 0.22 -3.51 1.13 2.81 0.50 -4.82 117.12 109.68 1yaj n MET 364 Ca -0.05 0.00 -0.24 0.00 -1.81 0.00 0.00 57.70 55.61 1yaj n MET 364 Cb 0.15 -1.25 0.05 0.00 -0.71 0.00 0.00 33.22 31.46 1yaj n MET 364 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1yaj n SER 365 N -0.75 -5.27 -4.74 7.83 7.64 -0.10 -3.94 113.62 114.29 1yaj n SER 365 Ca 0.03 -0.86 -0.41 0.00 1.01 0.00 0.00 58.87 58.63 1yaj n SER 365 Cb 0.01 -4.22 -0.03 0.00 -1.01 0.00 0.00 64.21 58.96 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 -3.46 3.33 -1.07 1.43 5.04 -0.20 -4.92 117.35 117.50 1yaj s TYR 366 Ca 0.40 1.33 -0.24 0.00 -2.44 0.00 0.00 57.07 56.12 1yaj s TYR 366 Cb -0.10 -3.52 -0.09 0.00 0.35 0.00 0.00 41.96 38.59 1yaj s TYR 366 CO 0.80 -1.55 1.98 -2.14 -1.34 0.00 0.00 175.55 173.31 1yaj s PRO 367 N -0.23 2.34 0.00 4.97 0.02 -1.26 -4.45 135.00 136.39 1yaj s PRO 367 Ca 0.54 -0.76 0.00 0.00 0.02 0.00 0.00 61.00 60.80 1yaj s PRO 367 Cb -0.35 -5.14 0.00 0.00 0.02 0.00 0.00 34.50 29.03 1yaj s PRO 367 CO 0.38 -3.99 0.35 1.28 -0.33 0.00 0.00 177.00 174.69 1yaj n LEU 368 N 15.01 0.00 0.29 -5.54 4.77 -1.26 -4.86 117.00 125.42 1yaj n LEU 368 Ca 0.43 -0.01 0.16 0.00 -0.03 0.00 0.00 56.01 56.56 1yaj n LEU 368 Cb 0.47 0.00 0.84 0.00 -2.33 0.00 0.00 43.42 42.39 1yaj n LEU 368 CO 0.64 0.01 1.06 0.77 -1.33 0.00 0.00 177.39 178.54 1yaj h SER 369 N 0.00 0.00 -0.25 -1.43 4.64 -1.97 -2.16 113.55 112.38 1yaj h SER 369 Ca 0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 1yaj h SER 369 Cb 0.86 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.93 1yaj h SER 369 CO 0.00 0.00 -0.01 -0.33 -0.87 0.00 0.00 176.83 175.62 1yaj h GLU 370 N 0.00 0.57 0.00 4.77 4.39 -1.98 -3.48 114.58 118.85 1yaj h GLU 370 Ca 0.00 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.57 1yaj h GLU 370 Cb 0.40 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.97 1yaj h GLU 370 CO 0.00 0.60 0.00 0.41 -1.16 0.00 0.00 179.01 178.86 1yaj n GLY 371 N -0.81 2.27 3.15 -3.84 0.00 -0.81 -5.04 105.19 100.11 1yaj n GLY 371 Ca 0.02 -0.78 -0.22 0.00 0.00 0.00 0.00 46.02 45.03 1yaj n GLY 371 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yaj n GLN 372 N 0.00 0.83 -3.84 1.61 10.64 -1.26 -4.91 117.38 120.45 1yaj n GLN 372 Ca 0.00 -2.89 -0.12 0.00 -1.83 0.00 0.00 57.00 52.17 1yaj n GLN 372 Cb 0.00 0.36 -0.09 0.00 -0.86 0.00 0.00 30.24 29.65 1yaj n GLN 372 CO 0.00 0.00 0.00 -1.17 -1.83 0.00 0.00 177.06 174.06 1yaj s LEU 373 N 0.00 1.36 0.29 2.61 2.96 -1.25 -4.93 118.68 119.72 1yaj s LEU 373 Ca 0.23 -0.15 0.11 0.00 -0.22 0.00 0.00 54.13 54.10 1yaj s LEU 373 Cb -0.02 0.85 -0.05 0.00 0.50 0.00 0.00 46.19 47.47 1yaj s LEU 373 CO 0.15 -0.41 -0.12 1.51 -1.32 0.00 0.00 176.35 176.16 1yaj s ASP 374 N -1.44 3.91 0.44 3.68 -4.77 -1.26 -4.53 116.67 112.69 1yaj s ASP 374 Ca -0.14 -0.95 0.25 0.00 -3.30 0.00 0.00 52.55 48.42 1yaj s ASP 374 Cb -0.06 -0.46 1.28 0.00 -1.09 0.00 0.00 42.92 42.58 1yaj s ASP 374 CO 0.02 -0.03 1.76 1.56 0.70 0.00 0.00 175.17 179.17 1yaj h GLN 375 N 2.09 0.23 0.02 2.11 1.08 -1.99 -0.58 115.11 118.07 1yaj h GLN 375 Ca -0.42 -0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 56.77 1yaj h GLN 375 Cb 1.26 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.63 1yaj h GLN 375 CO 0.62 0.15 -0.01 0.87 -0.95 0.00 0.00 178.83 179.52 1yaj h LYS 376 N 0.24 -0.02 -0.84 1.46 1.79 -2.01 -3.19 116.57 114.00 1yaj h LYS 376 Ca 0.62 0.00 0.18 0.00 -2.18 0.00 0.00 60.65 59.27 1yaj h LYS 376 Cb 1.89 0.01 -0.11 0.00 -1.58 0.00 0.00 32.23 32.44 1yaj h LYS 376 CO -0.23 -0.02 0.36 1.15 -1.08 0.00 0.00 179.45 179.63 1yaj h THR 377 N -1.00 0.58 0.57 -0.16 2.02 -1.90 -1.93 112.91 111.08 1yaj h THR 377 Ca -0.00 -0.15 -0.02 0.00 0.77 0.00 0.00 66.41 67.01 1yaj h THR 377 Cb 0.02 0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 66.50 1yaj h THR 377 CO 0.00 0.08 -0.51 0.00 0.37 0.00 0.00 175.52 175.46 1yaj h ALA 378 N 1.63 -1.18 -1.11 6.16 0.00 -1.26 -1.96 119.26 121.54 1yaj h ALA 378 Ca 0.49 -0.21 0.39 0.00 0.00 0.00 0.00 54.91 55.58 1yaj h ALA 378 Cb 0.83 0.72 -0.12 0.00 0.00 0.00 0.00 17.79 19.22 1yaj h ALA 378 CO -0.46 -1.20 0.70 -1.33 0.00 0.00 0.00 179.25 176.96 1yaj n MET 379 N -5.58 -0.03 0.28 0.00 2.00 -0.73 0.30 117.12 113.35 1yaj n MET 379 Ca -0.13 1.05 -0.13 0.00 0.00 0.00 0.00 57.70 58.50 1yaj n MET 379 Cb 0.48 -2.06 -0.07 0.00 0.00 0.00 0.00 33.22 31.57 1yaj n MET 379 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 1yaj h SER 380 N 0.00 -0.64 0.16 7.83 0.87 -1.30 -2.69 113.55 117.77 1yaj h SER 380 Ca 0.73 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 61.27 1yaj h SER 380 Cb 2.30 0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 64.40 1yaj h SER 380 CO -0.42 -0.25 -0.35 -0.07 -0.53 0.00 0.00 176.83 175.21 1yaj h LEU 381 N -1.13 -1.02 -0.96 2.23 3.38 0.06 0.30 115.31 118.18 1yaj h LEU 381 Ca -0.08 0.10 0.37 0.00 0.09 0.00 0.00 57.88 58.36 1yaj h LEU 381 Cb 0.63 0.36 -0.17 0.00 0.09 0.00 0.00 40.66 41.57 1yaj h LEU 381 CO 0.13 -0.39 0.39 -0.11 0.09 0.00 0.00 178.44 178.54 1yaj n LEU 382 N -4.44 0.22 0.31 1.67 7.94 -0.69 0.84 117.00 122.85 1yaj n LEU 382 Ca -0.06 1.60 -0.13 0.00 -1.11 0.00 0.00 56.01 56.31 1yaj n LEU 382 Cb 0.28 -0.73 -0.06 0.00 0.53 0.00 0.00 43.42 43.44 1yaj n LEU 382 CO 0.12 -1.75 0.35 -0.25 -1.11 0.00 0.00 177.39 174.75 1yaj h TRP 383 N 0.00 -0.77 0.00 1.96 -0.00 -0.84 -2.95 115.95 113.35 1yaj h TRP 383 Ca 0.75 -0.02 0.00 0.00 -0.00 0.00 0.00 58.89 59.62 1yaj h TRP 383 Cb 1.90 0.26 0.00 0.00 -0.00 0.00 0.00 29.16 31.32 1yaj h TRP 383 CO -0.14 -0.48 0.06 1.63 -0.00 0.00 0.00 178.44 179.51 1yaj n LYS 384 N -5.17 0.01 -0.43 2.65 5.02 0.18 -0.46 118.16 119.96 1yaj n LYS 384 Ca -0.10 0.46 0.05 0.00 -2.02 0.00 0.00 58.31 56.70 1yaj n LYS 384 Cb 0.33 -1.60 0.23 0.00 -0.02 0.00 0.00 35.03 33.97 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 -1.52 3.34 -0.31 4.39 7.64 0.25 -4.48 113.62 122.93 1yaj n SER 385 Ca -0.00 -2.37 0.09 0.00 1.01 0.00 0.00 58.87 57.59 1yaj n SER 385 Cb 0.06 -0.51 0.25 0.00 -1.01 0.00 0.00 64.21 63.00 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 2.43 0.83 0.00 1.43 3.20 -0.86 0.10 116.97 124.10 1yaj h TYR 386 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1yaj h TYR 386 Cb 1.13 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 39.16 1yaj h TYR 386 CO 0.54 0.18 0.00 -0.35 -1.64 0.00 0.00 178.16 176.89 1yaj n PRO 387 N -4.85 0.10 -0.01 1.82 -0.04 -1.26 -0.08 135.00 130.67 1yaj n PRO 387 Ca 0.19 0.20 -0.05 0.00 -0.04 0.00 0.00 63.50 63.80 1yaj n PRO 387 Cb 0.47 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.42 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 -1.26 0.93 0.03 1.53 4.77 0.24 -4.68 117.00 118.56 1yaj n LEU 388 Ca 0.03 0.14 0.06 0.00 -0.03 0.00 0.00 56.01 56.22 1yaj n LEU 388 Cb 0.05 -0.33 -0.10 0.00 -2.33 0.00 0.00 43.42 40.71 1yaj n LEU 388 CO 0.05 -0.23 -0.45 1.33 -1.33 0.00 0.00 177.39 176.75 1yaj n VAL 389 N -3.55 0.63 -3.41 4.08 0.24 -0.51 -4.23 118.33 111.59 1yaj n VAL 389 Ca -0.09 -0.60 -0.17 0.00 -2.04 0.00 0.00 64.34 61.44 1yaj n VAL 389 Cb 0.37 -0.33 0.03 0.00 -1.47 0.00 0.00 33.84 32.44 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 -3.22 2.81 0.35 0.00 1.01 -1.26 -5.06 121.20 115.83 1yaj s ILE 391 Ca 0.24 -0.74 -0.28 0.00 0.00 0.00 0.00 60.65 59.86 1yaj s ILE 391 Cb -0.07 -2.16 -0.11 0.00 0.01 0.00 0.00 42.46 40.13 1yaj s ILE 391 CO 0.81 0.53 1.44 0.00 0.00 0.00 0.00 174.94 177.72 1yaj s ALA 392 N 0.40 3.57 0.23 9.38 0.00 -1.26 -4.87 121.76 129.20 1yaj s ALA 392 Ca -0.12 1.48 -0.07 0.00 0.00 0.00 0.00 51.96 53.25 1yaj s ALA 392 Cb -0.16 -3.57 0.35 0.00 0.00 0.00 0.00 23.12 19.73 1yaj s ALA 392 CO 0.06 -0.92 1.75 -0.22 0.00 0.00 0.00 175.76 176.43 1yaj h LYS 393 N 3.33 0.49 0.00 0.00 3.64 -1.99 0.36 116.57 122.40 1yaj h LYS 393 Ca -0.50 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.85 1yaj h LYS 393 Cb 1.23 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 1yaj h LYS 393 CO 0.66 0.32 0.00 -0.85 -2.27 0.00 0.00 179.45 177.31 1yaj n GLU 394 N -4.94 0.04 -0.09 1.90 0.28 -1.26 -1.61 120.64 114.96 1yaj n GLU 394 Ca 0.11 0.22 -0.10 0.00 -0.16 0.00 0.00 57.16 57.24 1yaj n GLU 394 Cb 0.31 -1.50 -0.12 0.00 1.43 0.00 0.00 31.44 31.57 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 -1.24 0.92 -0.33 -1.84 4.77 0.09 -4.63 117.00 114.74 1yaj n LEU 395 Ca 0.01 -0.03 0.11 0.00 -0.03 0.00 0.00 56.01 56.07 1yaj n LEU 395 Cb 0.02 0.05 0.22 0.00 -2.33 0.00 0.00 43.42 41.38 1yaj n LEU 395 CO 0.02 0.53 0.69 -0.38 -1.33 0.00 0.00 177.39 176.92 1yaj n ILE 396 N -2.74 -0.39 0.00 -0.08 2.08 -0.63 -1.06 119.36 116.53 1yaj n ILE 396 Ca -0.29 2.08 0.00 0.00 0.56 0.00 0.00 62.75 65.10 1yaj n ILE 396 Cb 0.97 -2.98 0.00 0.00 -0.75 0.00 0.00 39.64 36.88 1yaj n ILE 396 CO 0.00 0.00 0.00 -2.65 0.56 0.00 0.00 176.55 174.46 1yaj n PRO 397 N -5.43 0.00 0.08 0.38 -0.02 -1.26 -0.47 135.00 128.28 1yaj n PRO 397 Ca 0.19 0.51 0.21 0.00 -2.02 0.00 0.00 63.50 62.39 1yaj n PRO 397 Cb 0.62 -1.38 0.73 0.00 -0.02 0.00 0.00 33.50 33.45 1yaj n PRO 397 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1yaj h GLU 398 N 0.00 0.00 0.44 -0.52 4.39 -1.78 -1.40 114.58 115.71 1yaj h GLU 398 Ca 0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 1yaj h GLU 398 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1yaj h GLU 398 CO 0.00 0.00 -0.21 0.00 -1.16 0.00 0.00 179.01 177.64 1yaj h ALA 399 N 1.42 -0.61 -0.80 3.43 0.00 -0.67 -2.94 119.26 119.09 1yaj h ALA 399 Ca 0.21 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.02 1yaj h ALA 399 Cb 1.19 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 19.17 1yaj h ALA 399 CO -0.00 -0.57 0.53 1.15 0.00 0.00 0.00 179.25 180.36 1yaj h THR 400 N -1.12 1.13 0.44 0.00 2.02 -0.16 -3.03 112.91 112.19 1yaj h THR 400 Ca -0.06 -0.34 -0.02 0.00 0.77 0.00 0.00 66.41 66.76 1yaj h THR 400 Cb 0.46 0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.91 1yaj h THR 400 CO 0.10 0.18 -0.34 -0.08 0.37 0.00 0.00 175.52 175.75 1yaj h GLU 401 N 0.99 -0.72 -1.10 6.66 4.57 -1.37 0.39 114.58 124.00 1yaj h GLU 401 Ca 0.32 0.05 0.31 0.00 -1.18 0.00 0.00 59.36 58.86 1yaj h GLU 401 Cb 0.04 0.16 -0.05 0.00 -0.16 0.00 0.00 28.75 28.74 1yaj h GLU 401 CO -0.09 -0.48 0.78 -0.22 -1.18 0.00 0.00 179.01 177.82 1yaj h LYS 402 N -0.75 0.07 0.00 1.92 1.63 -1.44 0.99 116.57 118.99 1yaj h LYS 402 Ca -0.06 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.74 1yaj h LYS 402 Cb 0.62 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.24 1yaj h LYS 402 CO 0.01 0.05 0.00 0.66 -3.45 0.00 0.00 179.45 176.72 1yaj n TYR 403 N -4.28 0.00 0.09 1.91 4.02 -1.10 -4.66 117.16 113.13 1yaj n TYR 403 Ca 0.24 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 58.05 1yaj n TYR 403 Cb 1.12 -0.08 -0.01 0.00 -0.02 0.00 0.00 39.34 40.35 1yaj n TYR 403 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 1yaj h LEU 404 N 0.00 0.21 0.00 7.72 3.38 -0.32 -3.27 115.31 123.03 1yaj h LEU 404 Ca 0.00 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1yaj h LEU 404 Cb 0.00 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1yaj h LEU 404 CO 0.00 0.98 0.00 0.61 0.09 0.00 0.00 178.44 180.12 1yaj n GLY 405 N 0.87 -0.44 0.35 0.83 0.00 0.34 -3.19 105.19 103.95 1yaj n GLY 405 Ca -0.03 -0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.05 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 0.69 0.88 -4.98 -0.02 0.00 -1.61 -3.44 103.07 94.60 1yaj h GLY 406 Ca 0.00 -0.27 -0.18 0.00 0.00 0.00 0.00 47.33 46.88 1yaj h GLY 406 CO 0.00 0.19 -0.70 -0.51 0.00 0.00 0.00 176.54 175.52 1yaj s THR 407 N -5.61 0.12 -0.60 4.70 -4.23 -1.19 -5.01 115.64 103.82 1yaj s THR 407 Ca -0.09 -0.90 0.22 0.00 -1.18 0.00 0.00 61.69 59.74 1yaj s THR 407 Cb 0.20 -0.27 0.22 0.00 1.34 0.00 0.00 72.50 73.99 1yaj s THR 407 CO 0.77 -0.49 1.66 0.47 -0.54 0.00 0.00 174.62 176.49 1yaj n ASP 408 N 1.63 0.52 -4.74 3.99 8.00 -1.26 -4.74 116.55 119.95 1yaj n ASP 408 Ca -0.24 0.63 -0.42 0.00 0.71 0.00 0.00 54.79 55.47 1yaj n ASP 408 Cb 0.55 -0.74 -0.03 0.00 -0.02 0.00 0.00 41.12 40.89 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 -3.97 6.68 -0.07 -2.24 -1.08 -1.26 -4.94 116.67 109.79 1yaj s ASP 409 Ca 0.05 2.60 -0.04 0.00 -0.52 0.00 0.00 52.55 54.64 1yaj s ASP 409 Cb 0.09 -2.61 -0.27 0.00 -1.46 0.00 0.00 42.92 38.67 1yaj s ASP 409 CO 0.37 -0.71 0.55 0.71 0.52 0.00 0.00 175.17 176.61 1yaj h THR 410 N 3.73 0.80 0.00 1.71 1.35 -1.85 -3.29 112.91 115.36 1yaj h THR 410 Ca -0.45 -2.50 0.00 0.00 -0.55 0.00 0.00 66.41 62.91 1yaj h THR 410 Cb 1.21 2.59 0.00 0.00 -1.73 0.00 0.00 68.15 70.22 1yaj h THR 410 CO 0.81 0.82 0.00 0.58 -0.25 0.00 0.00 175.52 177.49 1yaj h VAL 411 N 0.07 0.00 0.00 6.82 2.07 -1.92 0.75 116.25 124.04 1yaj h VAL 411 Ca -0.36 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.16 1yaj h VAL 411 Cb 2.04 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 32.69 1yaj h VAL 411 CO 0.12 0.00 -1.34 0.29 0.02 0.00 0.00 177.57 176.66 1yaj n LYS 412 N -2.88 0.35 -0.08 1.57 5.02 -1.25 -4.19 118.16 116.69 1yaj n LYS 412 Ca -0.03 -0.06 -0.14 0.00 -2.02 0.00 0.00 58.31 56.07 1yaj n LYS 412 Cb 0.06 -1.55 -0.05 0.00 -0.02 0.00 0.00 35.03 33.47 1yaj n LYS 412 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1yaj h LYS 413 N 0.00 0.63 -0.07 1.97 1.57 -0.91 -0.52 116.57 119.24 1yaj h LYS 413 Ca 0.00 -0.35 0.02 0.00 -1.87 0.00 0.00 60.65 58.45 1yaj h LYS 413 Cb 0.77 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.08 1yaj h LYS 413 CO 0.00 0.95 -0.06 -0.22 -0.57 0.00 0.00 179.45 179.56 1yaj h LYS 414 N 0.33 -0.07 0.06 3.15 3.64 -1.72 0.16 116.57 122.13 1yaj h LYS 414 Ca 0.03 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.43 1yaj h LYS 414 Cb 0.86 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.69 1yaj h LYS 414 CO 0.07 -0.04 -0.09 -0.44 -2.27 0.00 0.00 179.45 176.67 1yaj h ASP 415 N -0.07 -0.26 0.12 4.20 3.32 -1.71 0.02 116.42 122.05 1yaj h ASP 415 Ca 0.05 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 1yaj h ASP 415 Cb 0.14 0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.78 1yaj h ASP 415 CO -0.11 -0.14 -0.01 -0.07 -1.72 0.00 0.00 179.24 177.19 1yaj h LEU 416 N -0.19 0.00 -0.12 1.55 3.38 -0.86 0.21 115.31 119.27 1yaj h LEU 416 Ca 0.02 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.75 1yaj h LEU 416 Cb 0.20 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.97 1yaj h LEU 416 CO -0.05 0.01 -0.89 0.15 0.09 0.00 0.00 178.44 177.75 1yaj h PHE 417 N 0.00 1.00 -0.16 1.13 3.57 0.12 -0.82 116.94 121.77 1yaj h PHE 417 Ca -0.00 -0.48 -0.12 0.00 3.53 0.00 0.00 57.97 60.89 1yaj h PHE 417 Cb 0.08 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.68 1yaj h PHE 417 CO 0.00 1.31 -0.38 -0.07 -2.23 0.00 0.00 178.31 176.94 1yaj h LEU 418 N 0.45 0.61 -2.01 0.59 3.38 0.14 -0.28 115.31 118.19 1yaj h LEU 418 Ca -0.08 -0.57 -0.02 0.00 0.09 0.00 0.00 57.88 57.30 1yaj h LEU 418 Cb 1.52 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 42.09 1yaj h LEU 418 CO 0.18 1.07 -0.09 0.44 0.09 0.00 0.00 178.44 180.12 1yaj h ASP 419 N 0.18 0.00 0.28 -0.43 3.32 -0.66 -2.00 116.42 117.11 1yaj h ASP 419 Ca -0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 1yaj h ASP 419 Cb 0.99 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.54 1yaj h ASP 419 CO 0.08 0.09 -0.14 0.25 -1.72 0.00 0.00 179.24 177.81 1yaj h LEU 420 N 0.00 -0.32 -2.00 1.55 7.12 -0.80 -2.66 115.31 118.20 1yaj h LEU 420 Ca -0.00 -0.08 0.14 0.00 0.13 0.00 0.00 57.88 58.07 1yaj h LEU 420 Cb 0.22 0.08 -0.02 0.00 -0.53 0.00 0.00 40.66 40.41 1yaj h LEU 420 CO 0.01 0.16 0.44 0.40 -0.13 0.00 0.00 178.44 179.32 1yaj h ILE 421 N -1.06 0.49 0.14 4.05 2.04 -0.85 -0.30 117.51 122.01 1yaj h ILE 421 Ca -0.04 0.00 -0.30 0.00 1.00 0.00 0.00 64.86 65.52 1yaj h ILE 421 Cb 0.38 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 1yaj h ILE 421 CO 0.06 0.00 -1.44 0.00 0.00 0.00 0.00 178.15 176.77 1yaj h ALA 422 N 1.58 0.17 0.00 1.87 0.00 -1.43 -3.23 119.26 118.23 1yaj h ALA 422 Ca 0.23 -1.02 0.00 0.00 0.00 0.00 0.00 54.91 54.12 1yaj h ALA 422 Cb 1.11 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1yaj h ALA 422 CO -0.00 1.04 0.00 -0.44 0.00 0.00 0.00 179.25 179.85 1yaj h ASP 423 N 0.08 0.00 0.43 0.00 3.32 -0.68 -0.06 116.42 119.51 1yaj h ASP 423 Ca -0.21 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.53 1yaj h ASP 423 Cb 2.02 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 41.53 1yaj h ASP 423 CO 0.19 0.00 -1.73 0.58 -1.72 0.00 0.00 179.24 176.56 1yaj h VAL 424 N 0.00 0.85 0.14 -1.35 2.07 -1.59 0.77 116.25 117.13 1yaj h VAL 424 Ca 0.00 -2.66 -0.33 0.00 0.82 0.00 0.00 66.70 64.52 1yaj h VAL 424 Cb 0.28 2.47 -0.01 0.00 -1.52 0.00 0.00 31.29 32.52 1yaj h VAL 424 CO 0.00 0.61 -1.72 0.24 0.02 0.00 0.00 177.57 176.72 1yaj h MET 425 N 0.02 0.29 0.00 1.57 2.86 -1.49 -3.42 114.93 114.77 1yaj h MET 425 Ca -0.30 -0.50 0.00 0.00 -2.06 0.00 0.00 59.70 56.84 1yaj h MET 425 Cb 2.01 0.19 0.00 0.00 0.06 0.00 0.00 31.60 33.85 1yaj h MET 425 CO 0.09 1.17 -0.72 1.19 1.06 0.00 0.00 176.91 179.70 1yaj n PHE 426 N -3.48 0.00 0.00 -0.22 3.01 -0.12 -4.72 117.46 111.93 1yaj n PHE 426 Ca -0.23 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.23 1yaj n PHE 426 Cb 1.06 0.04 0.00 0.00 -0.01 0.00 0.00 39.48 40.57 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 2.82 -0.22 0.27 1.37 0.00 -0.72 -0.78 105.19 107.93 1yaj n GLY 427 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 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 0.36 -0.49 1.61 2.07 -1.14 -2.64 116.25 116.02 1yaj h VAL 428 Ca 0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 1yaj h VAL 428 Cb 0.00 0.36 -0.08 0.00 -1.52 0.00 0.00 31.29 30.05 1yaj h VAL 428 CO 0.00 0.00 -0.52 -0.65 0.02 0.00 0.00 177.57 176.42 1yaj h PRO 429 N -0.15 -0.27 -0.76 1.57 0.11 -1.75 -0.11 132.00 130.63 1yaj h PRO 429 Ca 0.20 0.02 0.16 0.00 0.11 0.00 0.00 66.00 66.49 1yaj h PRO 429 Cb 0.46 0.06 -0.11 0.00 0.11 0.00 0.00 31.00 31.53 1yaj h PRO 429 CO -0.51 -0.18 0.24 0.77 -0.21 0.00 0.00 178.00 178.11 1yaj h SER 430 N -0.28 0.12 -0.61 -2.05 0.02 -0.60 -0.32 113.55 109.82 1yaj h SER 430 Ca 0.08 0.14 -0.08 0.00 -0.84 0.00 0.00 61.79 61.09 1yaj h SER 430 Cb 0.51 0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.18 1yaj h SER 430 CO -0.61 0.01 0.06 0.58 -1.14 0.00 0.00 176.83 175.72 1yaj h VAL 431 N 0.33 1.26 -0.29 2.27 2.07 -1.08 -1.57 116.25 119.25 1yaj h VAL 431 Ca 0.43 -1.07 -0.02 0.00 0.82 0.00 0.00 66.70 66.86 1yaj h VAL 431 Cb 0.73 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 1yaj h VAL 431 CO -0.48 0.39 0.08 0.40 0.02 0.00 0.00 177.57 177.98 1yaj h ILE 432 N 0.95 1.13 -0.04 4.57 2.04 0.60 0.11 117.51 126.86 1yaj h ILE 432 Ca 0.18 -0.46 -0.20 0.00 1.00 0.00 0.00 64.86 65.38 1yaj h ILE 432 Cb 0.48 0.83 -0.00 0.00 -0.74 0.00 0.00 36.82 37.39 1yaj h ILE 432 CO 0.02 0.17 -0.82 0.58 0.00 0.00 0.00 178.15 178.09 1yaj h VAL 433 N 0.41 1.39 0.30 1.67 2.07 -0.98 -3.00 116.25 118.12 1yaj h VAL 433 Ca 0.10 -2.29 -0.01 0.00 0.82 0.00 0.00 66.70 65.32 1yaj h VAL 433 Cb 0.14 2.25 0.00 0.00 -1.52 0.00 0.00 31.29 32.16 1yaj h VAL 433 CO -0.01 0.68 -0.14 0.00 0.02 0.00 0.00 177.57 178.13 1yaj h ALA 434 N 0.85 -0.40 -0.16 1.67 0.00 -0.24 -1.68 119.26 119.29 1yaj h ALA 434 Ca -0.05 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.74 1yaj h ALA 434 Cb 1.43 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 19.32 1yaj h ALA 434 CO 0.14 -0.60 -0.14 0.00 0.00 0.00 0.00 179.25 178.65 1yaj h ARG 435 N -0.65 -0.15 -0.62 0.00 3.08 -0.91 -0.38 114.38 114.74 1yaj h ARG 435 Ca -0.04 0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.05 1yaj h ARG 435 Cb 0.46 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.50 1yaj h ARG 435 CO 0.07 -0.10 0.38 -0.91 -1.07 0.00 0.00 179.97 178.33 1yaj h ASN 436 N -0.15 0.61 -0.89 7.04 -0.26 -1.52 0.42 115.58 120.81 1yaj h ASN 436 Ca 0.10 0.01 -0.01 0.00 -0.56 0.00 0.00 56.30 55.84 1yaj h ASN 436 Cb 0.31 -0.12 -0.04 0.00 -1.06 0.00 0.00 38.32 37.40 1yaj h ASN 436 CO -0.26 0.42 0.51 -0.74 -1.06 0.00 0.00 177.43 176.30 1yaj h HIS 437 N 0.73 1.20 0.45 1.19 2.76 -0.94 1.27 115.15 121.81 1yaj h HIS 437 Ca 0.25 -0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.39 1yaj h HIS 437 Cb 0.04 -0.39 0.00 0.00 1.55 0.00 0.00 27.41 28.62 1yaj h HIS 437 CO -0.06 0.81 -0.21 -0.09 -1.30 0.00 0.00 177.93 177.08 1yaj h ARG 438 N 1.24 -0.58 -0.88 5.26 2.43 -0.23 -3.03 114.38 118.60 1yaj h ARG 438 Ca 0.32 0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.56 1yaj h ARG 438 Cb -0.01 0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 29.62 1yaj h ARG 438 CO -0.05 -0.33 0.58 -0.44 -1.51 0.00 0.00 179.97 178.22 1yaj h ASP 439 N -0.72 0.95 0.00 -3.80 3.32 0.65 -1.57 116.42 115.26 1yaj h ASP 439 Ca -0.06 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.98 1yaj h ASP 439 Cb 0.52 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1yaj h ASP 439 CO 0.10 0.66 0.13 0.00 -1.72 0.00 0.00 179.24 178.40 1yaj n ALA 440 N -2.40 0.86 -0.75 3.45 0.00 0.43 -4.79 120.51 117.30 1yaj n ALA 440 Ca 0.11 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1yaj n ALA 440 Cb 0.10 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.48 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 -1.30 0.50 3.27 0.00 0.00 -0.59 -4.93 105.19 102.13 1yaj n GLY 441 Ca -0.01 -0.18 -0.10 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.77 -0.67 0.15 4.61 0.00 -1.19 -5.02 121.76 117.88 1yaj s ALA 442 Ca 0.00 -0.18 -0.33 0.00 0.00 0.00 0.00 51.96 51.45 1yaj s ALA 442 Cb 0.00 0.52 -0.13 0.00 0.00 0.00 0.00 23.12 23.51 1yaj s ALA 442 CO 0.00 -0.53 1.66 -2.30 0.00 0.00 0.00 175.76 174.58 1yaj n PRO 443 N 0.07 2.34 -3.79 0.00 -0.02 -1.26 -4.31 135.00 128.04 1yaj n PRO 443 Ca -0.17 0.85 -0.14 0.00 -2.02 0.00 0.00 63.50 62.02 1yaj n PRO 443 Cb 0.62 -2.65 -0.15 0.00 -0.02 0.00 0.00 33.50 31.30 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 1.38 -0.04 0.18 3.45 2.01 -1.26 -1.57 115.64 119.78 1yaj s THR 444 Ca 0.79 0.16 0.05 0.00 0.31 0.00 0.00 61.69 63.01 1yaj s THR 444 Cb -0.63 -0.11 -0.05 0.00 0.01 0.00 0.00 72.50 71.73 1yaj s THR 444 CO 0.38 0.07 -0.09 -0.31 -0.69 0.00 0.00 174.62 173.97 1yaj s TYR 445 N 0.85 1.45 -0.01 4.92 2.02 -0.71 0.84 117.35 126.72 1yaj s TYR 445 Ca -0.07 -0.74 -0.16 0.00 -0.37 0.00 0.00 57.07 55.73 1yaj s TYR 445 Cb -0.10 -0.74 0.03 0.00 -0.40 0.00 0.00 41.96 40.75 1yaj s TYR 445 CO -0.03 0.14 0.34 -1.64 -1.57 0.00 0.00 175.55 172.80 1yaj s MET 446 N -3.74 0.72 0.23 -0.62 -1.94 -1.25 -0.79 119.30 111.91 1yaj s MET 446 Ca 0.21 -0.18 0.01 0.00 -1.71 0.00 0.00 55.69 54.01 1yaj s MET 446 Cb 0.02 0.32 -0.04 0.00 2.01 0.00 0.00 34.83 37.15 1yaj s MET 446 CO 0.04 -0.21 0.17 1.52 -0.01 0.00 0.00 175.02 176.53 1yaj s TYR 447 N -1.45 1.29 -0.27 -0.03 1.13 -1.13 -1.97 117.35 114.92 1yaj s TYR 447 Ca -0.12 -1.44 -0.02 0.00 -1.41 0.00 0.00 57.07 54.08 1yaj s TYR 447 Cb -0.04 -0.59 0.12 0.00 -1.10 0.00 0.00 41.96 40.35 1yaj s TYR 447 CO 0.04 -0.70 0.24 -2.00 -2.51 0.00 0.00 175.55 170.62 1yaj s GLU 448 N -3.99 0.26 -0.10 -3.49 2.12 -0.37 -1.82 118.70 111.30 1yaj s GLU 448 Ca 0.39 -0.19 -0.30 0.00 0.36 0.00 0.00 54.97 55.24 1yaj s GLU 448 Cb 0.06 -0.90 -0.03 0.00 0.26 0.00 0.00 34.13 33.52 1yaj s GLU 448 CO 0.16 -0.96 1.34 0.12 -0.54 0.00 0.00 175.26 175.37 1yaj s PHE 449 N 2.28 2.76 -0.52 5.30 5.36 -0.41 -2.70 117.98 130.06 1yaj s PHE 449 Ca 0.09 0.88 0.07 0.00 -0.96 0.00 0.00 56.93 57.01 1yaj s PHE 449 Cb -0.15 -3.58 0.26 0.00 -0.34 0.00 0.00 43.02 39.21 1yaj s PHE 449 CO -0.30 -2.09 0.66 0.94 -1.46 0.00 0.00 175.22 172.96 1yaj n GLN 450 N 6.27 1.72 -3.85 10.12 7.27 -0.82 -1.53 117.38 136.55 1yaj n GLN 450 Ca 0.14 -4.01 -0.10 0.00 0.07 0.00 0.00 57.00 53.09 1yaj n GLN 450 Cb 0.45 -1.79 -0.08 0.00 2.41 0.00 0.00 30.24 31.22 1yaj n GLN 450 CO 0.00 0.00 0.00 -0.47 0.07 0.00 0.00 177.06 176.66 1yaj s TYR 451 N -1.95 0.07 -0.26 3.69 5.04 -1.26 -4.29 117.35 118.39 1yaj s TYR 451 Ca 0.38 -0.31 0.00 0.00 -2.44 0.00 0.00 57.07 54.70 1yaj s TYR 451 Cb 0.17 -0.04 0.04 0.00 0.35 0.00 0.00 41.96 42.48 1yaj s TYR 451 CO -0.06 -0.43 -0.07 0.50 -1.34 0.00 0.00 175.55 174.15 1yaj s ARG 452 N -2.63 2.53 0.90 4.97 3.52 -1.26 0.31 118.95 127.30 1yaj s ARG 452 Ca -0.05 -1.17 -0.10 0.00 -0.13 0.00 0.00 55.73 54.28 1yaj s ARG 452 Cb -0.01 -2.98 0.14 0.00 -1.56 0.00 0.00 34.95 30.54 1yaj s ARG 452 CO -0.04 -0.51 1.13 -1.25 -0.81 0.00 0.00 175.30 173.82 1yaj s PRO 453 N 1.23 1.11 0.05 5.12 0.04 -1.26 -4.95 135.00 136.34 1yaj s PRO 453 Ca -0.04 1.46 0.22 0.00 0.04 0.00 0.00 61.00 62.68 1yaj s PRO 453 Cb -0.18 -1.75 -0.19 0.00 0.04 0.00 0.00 34.50 32.42 1yaj s PRO 453 CO -0.04 -2.54 0.73 -1.13 0.04 0.00 0.00 177.00 174.06 1yaj n SER 454 N -4.16 0.37 0.00 6.66 3.41 -1.26 -4.01 113.62 114.62 1yaj n SER 454 Ca 0.11 0.01 0.06 0.00 -0.26 0.00 0.00 58.87 58.80 1yaj n SER 454 Cb 0.52 1.36 0.39 0.00 -0.26 0.00 0.00 64.21 66.22 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 -2.30 0.00 -0.01 7.33 3.01 -1.26 -4.87 117.46 119.36 1yaj n PHE 455 Ca -0.02 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.43 1yaj n PHE 455 Cb 0.53 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 40.02 1yaj n PHE 455 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1yaj n SER 456 N -0.71 -1.85 -4.92 4.37 7.64 -1.26 -5.01 113.62 111.89 1yaj n SER 456 Ca 0.10 -0.03 -0.30 0.00 1.01 0.00 0.00 58.87 59.65 1yaj n SER 456 Cb 0.04 -0.04 -0.04 0.00 -1.01 0.00 0.00 64.21 63.17 1yaj n SER 456 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1yaj s SER 457 N -1.92 6.41 0.35 6.43 0.15 -1.26 -4.97 113.70 118.89 1yaj s SER 457 Ca 0.02 0.41 0.27 0.00 0.70 0.00 0.00 55.95 57.35 1yaj s SER 457 Cb -0.00 -2.02 1.14 0.00 -1.71 0.00 0.00 66.02 63.43 1yaj s SER 457 CO 0.02 0.07 1.80 0.44 1.20 0.00 0.00 173.24 176.77 1yaj h ASP 458 N 2.65 0.00 0.10 5.45 5.19 -1.98 -2.56 116.42 125.28 1yaj h ASP 458 Ca -0.46 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.95 1yaj h ASP 458 Cb 1.17 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.68 1yaj h ASP 458 CO 0.72 0.00 -0.18 0.23 -3.12 0.00 0.00 179.24 176.89 1yaj n MET 459 N -2.49 1.27 -3.33 3.56 2.81 -1.26 -4.87 117.12 112.82 1yaj n MET 459 Ca 0.01 -0.82 -0.38 0.00 -1.81 0.00 0.00 57.70 54.70 1yaj n MET 459 Cb 0.23 -1.48 -0.06 0.00 -0.71 0.00 0.00 33.22 31.20 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 -2.29 4.33 0.55 0.03 2.20 -0.97 -5.05 119.74 118.54 1yaj s LYS 460 Ca 0.28 0.43 -0.22 0.00 -0.36 0.00 0.00 55.97 56.11 1yaj s LYS 460 Cb 0.20 -3.43 -0.05 0.00 -1.51 0.00 0.00 37.83 33.04 1yaj s LYS 460 CO 0.45 0.17 1.35 -1.25 -0.36 0.00 0.00 175.35 175.71 1yaj s PRO 461 N 0.59 3.12 0.00 4.03 0.04 -1.26 -4.91 135.00 136.61 1yaj s PRO 461 Ca 0.25 2.21 0.30 0.00 0.04 0.00 0.00 61.00 63.80 1yaj s PRO 461 Cb -0.15 -2.24 1.40 0.00 0.04 0.00 0.00 34.50 33.55 1yaj s PRO 461 CO 0.10 -1.20 1.98 1.63 0.04 0.00 0.00 177.00 179.55 1yaj n LYS 462 N -1.06 0.46 0.08 4.56 5.02 -1.26 -3.30 118.16 122.66 1yaj n LYS 462 Ca 0.11 -0.06 0.13 0.00 -2.02 0.00 0.00 58.31 56.47 1yaj n LYS 462 Cb 0.45 -1.50 0.46 0.00 -0.02 0.00 0.00 35.03 34.42 1yaj n LYS 462 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1yaj n THR 463 N -1.22 0.46 -3.29 -0.18 -2.24 -1.26 -4.71 114.28 101.84 1yaj n THR 463 Ca 0.14 -0.21 -0.41 0.00 -2.27 0.00 0.00 64.05 61.30 1yaj n THR 463 Cb 0.26 -0.57 -0.08 0.00 -2.10 0.00 0.00 70.33 67.84 1yaj n THR 463 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1yaj s VAL 464 N -3.08 5.08 -0.04 2.28 1.01 -1.21 -5.06 120.40 119.38 1yaj s VAL 464 Ca 0.11 0.39 0.04 0.00 0.00 0.00 0.00 61.98 62.53 1yaj s VAL 464 Cb 0.14 -3.88 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 1yaj s VAL 464 CO 0.58 -0.09 -0.14 -0.63 0.00 0.00 0.00 175.10 174.81 1yaj s ILE 465 N 2.26 3.08 -0.88 2.22 1.01 -1.26 -4.74 121.20 122.89 1yaj s ILE 465 Ca 0.17 -0.76 -0.05 0.00 0.00 0.00 0.00 60.65 60.02 1yaj s ILE 465 Cb -0.16 -2.22 -0.01 0.00 0.01 0.00 0.00 42.46 40.08 1yaj s ILE 465 CO 0.12 0.56 0.73 0.61 0.00 0.00 0.00 174.94 176.96 1yaj n GLY 466 N 2.21 -1.20 0.00 6.18 0.00 0.15 -3.69 105.19 108.84 1yaj n GLY 466 Ca -0.17 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.36 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 -2.32 0.00 -4.71 1.61 2.03 -1.26 -1.17 116.55 110.74 1yaj n ASP 467 Ca -0.09 -0.23 -0.42 0.00 0.52 0.00 0.00 54.79 54.57 1yaj n ASP 467 Cb 0.57 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.94 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 -0.12 3.35 0.00 -0.67 2.46 -1.23 -3.45 115.29 115.62 1yaj s HIS 468 Ca 0.00 1.17 0.00 0.00 0.47 0.00 0.00 55.06 56.70 1yaj s HIS 468 Cb 0.00 -3.51 0.00 0.00 -0.13 0.00 0.00 32.58 28.94 1yaj s HIS 468 CO 0.00 -1.66 0.00 0.41 -2.47 0.00 0.00 174.74 171.02 1yaj n GLY 469 N 3.32 1.83 0.13 1.59 0.00 -1.26 -4.83 105.19 105.97 1yaj n GLY 469 Ca 0.10 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.16 1yaj n GLY 469 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1yaj n ASP 470 N 0.33 -0.07 0.20 1.61 9.92 -1.22 0.20 116.55 127.52 1yaj n ASP 470 Ca 0.00 0.64 0.18 0.00 -0.53 0.00 0.00 54.79 55.08 1yaj n ASP 470 Cb 0.00 -0.22 0.76 0.00 -0.64 0.00 0.00 41.12 41.02 1yaj n ASP 470 CO 0.00 0.00 0.00 1.05 0.13 0.00 0.00 177.20 178.38 1yaj h GLU 471 N 0.00 0.00 -0.26 -1.24 9.09 -1.88 -2.77 114.58 117.52 1yaj h GLU 471 Ca 0.21 0.00 0.05 0.00 0.05 0.00 0.00 59.36 59.68 1yaj h GLU 471 Cb 0.41 0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 27.46 1yaj h GLU 471 CO -0.36 0.00 -0.07 -0.07 0.05 0.00 0.00 179.01 178.56 1yaj h LEU 472 N 0.00 -0.26 -0.76 3.06 3.38 0.20 -0.99 115.31 119.93 1yaj h LEU 472 Ca 0.11 0.08 0.18 0.00 0.09 0.00 0.00 57.88 58.34 1yaj h LEU 472 Cb 0.92 0.17 -0.13 0.00 0.09 0.00 0.00 40.66 41.71 1yaj h LEU 472 CO -0.00 -0.09 0.04 -0.26 0.09 0.00 0.00 178.44 178.22 1yaj h PHE 473 N -0.01 0.02 0.58 1.13 -1.00 -1.70 0.88 116.94 116.85 1yaj h PHE 473 Ca 0.13 0.05 -0.03 0.00 2.81 0.00 0.00 57.97 60.93 1yaj h PHE 473 Cb 0.20 0.11 0.01 0.00 3.61 0.00 0.00 35.95 39.88 1yaj h PHE 473 CO -0.26 -0.22 -0.28 1.03 -1.61 0.00 0.00 178.31 176.96 1yaj h SER 474 N 0.13 -0.66 -0.72 2.17 0.87 -1.65 0.71 113.55 114.39 1yaj h SER 474 Ca 0.43 -0.03 0.13 0.00 -1.23 0.00 0.00 61.79 61.09 1yaj h SER 474 Cb 0.76 0.17 -0.09 0.00 -0.44 0.00 0.00 62.40 62.80 1yaj h SER 474 CO -0.65 -0.35 0.26 0.58 -0.53 0.00 0.00 176.83 176.15 1yaj h VAL 475 N -0.99 0.66 -0.55 2.23 2.07 0.29 0.27 116.25 120.23 1yaj h VAL 475 Ca -0.08 -0.14 -0.21 0.00 0.82 0.00 0.00 66.70 67.09 1yaj h VAL 475 Cb 0.66 0.21 -0.12 0.00 -1.52 0.00 0.00 31.29 30.52 1yaj h VAL 475 CO 0.13 0.07 0.26 0.49 0.02 0.00 0.00 177.57 178.55 1yaj n PHE 476 N -5.03 1.78 -4.18 1.57 3.01 0.29 -4.71 117.46 110.19 1yaj n PHE 476 Ca 0.13 -1.03 -0.32 0.00 1.01 0.00 0.00 57.45 57.24 1yaj n PHE 476 Cb 0.39 -0.58 -0.04 0.00 -0.01 0.00 0.00 39.48 39.24 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 -0.19 -0.31 0.32 1.37 0.00 0.08 -4.58 105.19 101.89 1yaj n GLY 477 Ca 0.31 0.14 0.01 0.00 0.00 0.00 0.00 46.02 46.48 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 0.86 1.48 -0.61 4.61 0.00 0.21 -1.98 119.26 123.83 1yaj h ALA 478 Ca -0.62 -0.09 0.18 0.00 0.00 0.00 0.00 54.91 54.38 1yaj h ALA 478 Cb 1.38 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 1yaj h ALA 478 CO 0.73 0.44 0.67 -1.35 0.00 0.00 0.00 179.25 179.74 1yaj h PRO 479 N 0.80 0.00 -0.00 0.00 0.11 -1.84 0.14 132.00 131.21 1yaj h PRO 479 Ca 0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.32 1yaj h PRO 479 Cb 0.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.12 1yaj h PRO 479 CO -0.04 0.00 -0.43 1.19 -0.21 0.00 0.00 178.00 178.52 1yaj n PHE 480 N -3.58 0.00 -0.03 0.65 3.01 -0.74 -4.51 117.46 112.27 1yaj n PHE 480 Ca 0.12 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.54 1yaj n PHE 480 Cb 0.89 -0.23 -0.01 0.00 -0.01 0.00 0.00 39.48 40.12 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 -1.31 1.38 -4.77 4.37 4.77 0.43 -4.99 117.00 116.88 1yaj n LEU 481 Ca 0.07 0.22 -0.39 0.00 -0.03 0.00 0.00 56.01 55.88 1yaj n LEU 481 Cb 0.34 -0.53 -0.02 0.00 -2.33 0.00 0.00 43.42 40.87 1yaj n LEU 481 CO 0.33 -0.48 0.84 -0.54 -1.33 0.00 0.00 177.39 176.21 1yaj s LYS 482 N -2.32 4.18 0.56 3.23 1.02 -0.90 -4.65 119.74 120.86 1yaj s LYS 482 Ca -0.14 1.85 0.03 0.00 0.02 0.00 0.00 55.97 57.73 1yaj s LYS 482 Cb 0.02 -2.78 0.05 0.00 -0.52 0.00 0.00 37.83 34.60 1yaj s LYS 482 CO 0.21 -0.22 0.77 -1.21 -0.92 0.00 0.00 175.35 173.99 1yaj s GLU 483 N -2.14 2.42 0.00 1.68 8.01 -1.26 -4.61 118.70 122.80 1yaj s GLU 483 Ca 0.54 -1.03 0.00 0.00 0.01 0.00 0.00 54.97 54.49 1yaj s GLU 483 Cb -0.31 -2.53 0.00 0.00 -4.31 0.00 0.00 34.13 26.97 1yaj s GLU 483 CO 0.40 -0.77 0.00 0.41 0.01 0.00 0.00 175.26 175.31 1yaj n GLY 484 N -2.32 0.66 3.57 -1.39 0.00 -1.26 -5.02 105.19 99.44 1yaj n GLY 484 Ca 0.10 -0.74 -0.35 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.00 3.28 0.78 4.61 0.00 -1.26 -4.95 121.76 122.22 1yaj s ALA 485 Ca 0.00 -0.85 -0.11 0.00 0.00 0.00 0.00 51.96 51.00 1yaj s ALA 485 Cb 0.00 -1.90 0.06 0.00 0.00 0.00 0.00 23.12 21.29 1yaj s ALA 485 CO 0.00 0.03 1.11 -1.54 0.00 0.00 0.00 175.76 175.36 1yaj s SER 486 N 0.65 4.29 0.52 0.00 1.04 -1.26 -4.81 113.70 114.13 1yaj s SER 486 Ca 0.02 1.94 0.16 0.00 0.48 0.00 0.00 55.95 58.55 1yaj s SER 486 Cb -0.13 -2.54 1.27 0.00 0.10 0.00 0.00 66.02 64.72 1yaj s SER 486 CO 0.02 -2.18 2.14 -0.08 0.98 0.00 0.00 173.24 174.11 1yaj h GLU 487 N -1.07 0.01 0.39 4.02 4.57 -1.99 -0.59 114.58 119.93 1yaj h GLU 487 Ca -0.44 -0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 57.72 1yaj h GLU 487 Cb 1.24 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.83 1yaj h GLU 487 CO 0.50 0.01 -0.19 1.49 -1.18 0.00 0.00 179.01 179.64 1yaj h GLU 488 N 0.01 -0.51 0.00 1.92 4.81 -1.99 -0.32 114.58 118.49 1yaj h GLU 488 Ca 0.02 0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.21 1yaj h GLU 488 Cb 0.05 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 1yaj h GLU 488 CO -0.00 -0.34 -0.35 1.49 -0.73 0.00 0.00 179.01 179.08 1yaj h GLU 489 N -0.53 0.00 -0.46 1.92 4.81 -1.78 -1.48 114.58 117.05 1yaj h GLU 489 Ca -0.05 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.09 1yaj h GLU 489 Cb 0.41 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 1yaj h GLU 489 CO 0.09 0.35 -0.06 0.82 -0.73 0.00 0.00 179.01 179.47 1yaj h ILE 490 N 0.00 1.27 -0.11 2.32 2.04 -0.74 -2.15 117.51 120.14 1yaj h ILE 490 Ca -0.00 -1.16 -0.13 0.00 1.00 0.00 0.00 64.86 64.56 1yaj h ILE 490 Cb 0.62 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.78 1yaj h ILE 490 CO 0.05 0.40 -0.51 0.03 0.00 0.00 0.00 178.15 178.12 1yaj h ARG 491 N 0.70 0.29 0.77 2.37 3.08 -0.74 -2.47 114.38 118.38 1yaj h ARG 491 Ca 0.12 -0.17 -0.04 0.00 0.07 0.00 0.00 59.98 59.96 1yaj h ARG 491 Cb 0.59 0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.67 1yaj h ARG 491 CO 0.04 0.73 -0.37 1.25 -1.07 0.00 0.00 179.97 180.55 1yaj h LEU 492 N 0.23 -0.88 -0.65 3.04 5.85 -1.06 -2.02 115.31 119.83 1yaj h LEU 492 Ca 0.01 0.01 0.12 0.00 0.84 0.00 0.00 57.88 58.86 1yaj h LEU 492 Cb 0.98 0.23 -0.09 0.00 0.37 0.00 0.00 40.66 42.15 1yaj h LEU 492 CO 0.08 -0.56 0.19 -1.28 -0.34 0.00 0.00 178.44 176.54 1yaj h SER 493 N -1.17 0.11 0.08 1.25 0.87 -1.45 0.36 113.55 113.60 1yaj h SER 493 Ca -0.11 0.11 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 1yaj h SER 493 Cb 0.81 0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 62.89 1yaj h SER 493 CO 0.17 0.05 -0.03 0.50 -0.53 0.00 0.00 176.83 177.00 1yaj h LYS 494 N 0.33 0.00 0.01 2.24 3.64 -1.42 -2.42 116.57 118.95 1yaj h LYS 494 Ca 0.34 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.72 1yaj h LYS 494 Cb 0.50 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 1yaj h LYS 494 CO -0.39 0.03 -0.00 1.98 -2.27 0.00 0.00 179.45 178.79 1yaj h MET 495 N 0.00 -0.01 -0.21 1.90 4.05 0.43 -3.20 114.93 117.89 1yaj h MET 495 Ca -0.00 0.00 0.06 0.00 -0.28 0.00 0.00 59.70 59.48 1yaj h MET 495 Cb 0.07 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.87 1yaj h MET 495 CO 0.00 0.66 0.15 0.28 0.23 0.00 0.00 176.91 178.23 1yaj h VAL 496 N -0.99 0.89 -0.45 -5.77 2.07 -1.02 -0.69 116.25 110.29 1yaj h VAL 496 Ca -0.00 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.38 1yaj h VAL 496 Cb 0.67 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 1yaj h VAL 496 CO 0.00 0.00 -0.24 0.24 0.02 0.00 0.00 177.57 177.59 1yaj h MET 497 N 0.00 0.96 -0.05 1.57 2.07 -1.54 0.18 114.93 118.12 1yaj h MET 497 Ca 0.10 -0.43 -0.00 0.00 -2.07 0.00 0.00 59.70 57.29 1yaj h MET 497 Cb 0.39 -0.02 -0.00 0.00 -1.87 0.00 0.00 31.60 30.10 1yaj h MET 497 CO -0.00 1.10 0.02 -0.22 1.07 0.00 0.00 176.91 178.88 1yaj h LYS 498 N 0.80 0.07 0.25 1.72 3.64 -1.15 1.01 116.57 122.91 1yaj h LYS 498 Ca 0.10 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.47 1yaj h LYS 498 Cb 0.83 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.60 1yaj h LYS 498 CO 0.07 0.20 -0.36 0.74 -2.27 0.00 0.00 179.45 177.83 1yaj h PHE 499 N -0.08 -0.99 -0.24 1.91 0.05 -1.25 1.02 116.94 117.37 1yaj h PHE 499 Ca 0.02 0.01 0.06 0.00 3.82 0.00 0.00 57.97 61.88 1yaj h PHE 499 Cb 0.16 0.40 -0.06 0.00 2.00 0.00 0.00 35.95 38.45 1yaj h PHE 499 CO -0.02 -0.49 -0.14 -1.49 -0.18 0.00 0.00 178.31 175.99 1yaj h TRP 500 N -0.67 -0.36 -0.63 -0.55 -0.00 -0.47 0.27 115.95 113.54 1yaj h TRP 500 Ca -0.00 0.03 0.02 0.00 -0.00 0.00 0.00 58.89 58.94 1yaj h TRP 500 Cb 0.65 0.20 -0.04 0.00 -0.00 0.00 0.00 29.16 29.97 1yaj h TRP 500 CO -0.26 -0.21 0.40 0.00 -0.00 0.00 0.00 178.44 178.37 1yaj h ALA 501 N 1.05 0.81 -0.07 1.49 0.00 0.16 -1.02 119.26 121.67 1yaj h ALA 501 Ca 0.13 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1yaj h ALA 501 Cb 0.33 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1yaj h ALA 501 CO -0.32 0.18 0.04 -0.91 0.00 0.00 0.00 179.25 178.24 1yaj h ASN 502 N 0.80 0.09 -0.88 0.00 2.35 0.18 -0.64 115.58 117.49 1yaj h ASN 502 Ca 0.24 -0.08 0.18 0.00 -0.55 0.00 0.00 56.30 56.09 1yaj h ASN 502 Cb -0.04 -0.02 -0.07 0.00 0.05 0.00 0.00 38.32 38.24 1yaj h ASN 502 CO -0.08 0.15 0.58 0.15 -1.65 0.00 0.00 177.43 176.57 1yaj h PHE 503 N 0.03 0.64 -0.02 1.19 3.57 0.04 0.18 116.94 122.58 1yaj h PHE 503 Ca 0.03 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.45 1yaj h PHE 503 Cb 0.07 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.60 1yaj h PHE 503 CO -0.05 0.20 -0.45 0.00 -2.23 0.00 0.00 178.31 175.79 1yaj h ALA 504 N 1.62 1.23 0.02 2.41 0.00 0.14 0.17 119.26 124.84 1yaj h ALA 504 Ca 0.45 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1yaj h ALA 504 Cb 0.97 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1yaj h ALA 504 CO -0.19 0.57 -0.01 0.00 0.00 0.00 0.00 179.25 179.62 1yaj h ARG 505 N 0.03 -0.02 0.00 0.00 3.08 0.73 -3.42 114.38 114.79 1yaj h ARG 505 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1yaj h ARG 505 Cb 0.81 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.86 1yaj h ARG 505 CO 0.06 -0.02 -1.20 0.09 -1.07 0.00 0.00 179.97 177.84 1yaj n ASN 506 N -3.70 0.78 0.00 7.04 3.02 -0.63 -4.96 115.26 116.81 1yaj n ASN 506 Ca -0.00 -0.74 0.00 0.00 -0.03 0.00 0.00 54.58 53.80 1yaj n ASN 506 Cb 0.01 1.23 0.00 0.00 -0.61 0.00 0.00 39.78 40.41 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 1.44 0.68 2.81 7.41 0.00 0.59 -5.00 105.19 113.12 1yaj n GLY 507 Ca 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.11 2.39 0.53 1.61 3.84 -1.26 -4.89 114.94 115.05 1yaj s ASN 508 Ca 0.00 -0.49 0.23 0.00 0.21 0.00 0.00 52.86 52.81 1yaj s ASN 508 Cb 0.00 -0.66 1.37 0.00 -0.55 0.00 0.00 41.25 41.41 1yaj s ASN 508 CO 0.00 -0.22 2.04 1.55 -2.79 0.00 0.00 177.10 177.68 1yaj h PRO 509 N 8.23 0.00 -6.88 0.43 0.13 -1.82 -3.29 132.00 128.80 1yaj h PRO 509 Ca -0.21 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.43 1yaj h PRO 509 Cb 1.12 0.00 0.22 0.00 0.13 0.00 0.00 31.00 32.47 1yaj h PRO 509 CO 0.34 0.00 -0.53 0.09 -0.23 0.00 0.00 178.00 177.67 1yaj n ASN 510 N -4.41 -1.76 0.00 1.44 3.02 -1.26 -4.39 115.26 107.90 1yaj n ASN 510 Ca 0.06 0.12 0.00 0.00 -0.03 0.00 0.00 54.58 54.73 1yaj n ASN 510 Cb 0.46 -1.18 0.00 0.00 -0.61 0.00 0.00 39.78 38.45 1yaj n ASN 510 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1yaj n GLY 511 N 1.41 -1.55 3.72 7.41 0.00 -1.26 -4.90 105.19 110.02 1yaj n GLY 511 Ca 0.05 -1.05 -0.40 0.00 0.00 0.00 0.00 46.02 44.62 1yaj n GLY 511 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1yaj s GLU 512 N -1.44 4.50 0.00 1.61 2.02 -1.26 -3.55 118.70 120.58 1yaj s GLU 512 Ca 0.00 1.10 0.00 0.00 0.02 0.00 0.00 54.97 56.09 1yaj s GLU 512 Cb 0.00 -3.42 0.00 0.00 0.10 0.00 0.00 34.13 30.81 1yaj s GLU 512 CO 0.00 0.11 0.00 0.41 0.02 0.00 0.00 175.26 175.80 1yaj n GLY 513 N 2.80 0.75 3.28 -1.39 0.00 -1.26 -5.06 105.19 104.31 1yaj n GLY 513 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 2.15 0.99 0.99 1.43 -1.23 -5.13 118.68 117.87 1yaj s LEU 514 Ca 0.00 -0.53 -0.11 0.00 -1.03 0.00 0.00 54.13 52.46 1yaj s LEU 514 Cb 0.00 -1.09 0.18 0.00 0.03 0.00 0.00 46.19 45.31 1yaj s LEU 514 CO 0.00 0.21 1.09 -2.65 0.23 0.00 0.00 176.35 175.22 1yaj n PRO 515 N 1.91 -0.99 -2.82 1.29 -0.02 -1.26 -4.71 135.00 128.39 1yaj n PRO 515 Ca -0.17 -0.23 -0.41 0.00 -2.02 0.00 0.00 63.50 60.67 1yaj n PRO 515 Cb 0.53 -2.31 -0.04 0.00 -0.02 0.00 0.00 33.50 31.67 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 -2.57 3.58 -0.41 6.00 2.46 -1.26 -4.80 115.29 118.28 1yaj s HIS 516 Ca 0.67 1.49 -0.08 0.00 0.47 0.00 0.00 55.06 57.62 1yaj s HIS 516 Cb -0.24 -3.03 0.08 0.00 -0.13 0.00 0.00 32.58 29.26 1yaj s HIS 516 CO 0.60 -0.06 0.23 -0.46 -2.47 0.00 0.00 174.74 172.59 1yaj s TRP 517 N 1.31 3.36 0.22 3.88 -0.11 -1.26 -4.59 118.94 121.75 1yaj s TRP 517 Ca 0.45 -1.66 -0.31 0.00 1.22 0.00 0.00 56.10 55.81 1yaj s TRP 517 Cb -0.19 -2.93 -0.10 0.00 -1.50 0.00 0.00 33.47 28.75 1yaj s TRP 517 CO 0.21 -0.86 1.51 -1.25 -4.62 0.00 0.00 176.95 171.94 1yaj s PRO 518 N 1.38 4.23 0.04 5.86 0.04 -1.26 -4.88 135.00 140.40 1yaj s PRO 518 Ca 0.03 2.36 -0.30 0.00 0.04 0.00 0.00 61.00 63.13 1yaj s PRO 518 Cb -0.23 -3.11 -0.07 0.00 0.04 0.00 0.00 34.50 31.12 1yaj s PRO 518 CO 0.01 -0.52 1.64 -2.00 0.04 0.00 0.00 177.00 176.17 1yaj s GLU 519 N 0.17 4.20 -0.89 4.56 2.12 -1.26 -4.56 118.70 123.03 1yaj s GLU 519 Ca 0.64 2.27 -0.25 0.00 0.36 0.00 0.00 54.97 57.98 1yaj s GLU 519 Cb -0.43 -3.69 -0.12 0.00 0.26 0.00 0.00 34.13 30.14 1yaj s GLU 519 CO 0.39 -0.75 2.21 -0.47 -0.54 0.00 0.00 175.26 176.11 1yaj s TYR 520 N 2.96 1.39 0.00 5.30 5.04 0.25 -4.58 117.35 127.70 1yaj s TYR 520 Ca 0.73 1.56 0.00 0.00 -2.44 0.00 0.00 57.07 56.93 1yaj s TYR 520 Cb -0.38 -3.62 0.00 0.00 0.35 0.00 0.00 41.96 38.31 1yaj s TYR 520 CO 0.31 -1.46 0.00 0.27 -1.34 0.00 0.00 175.55 173.34 1yaj n ASN 521 N 17.27 0.00 0.26 4.32 0.23 -1.26 -4.50 115.26 131.58 1yaj n ASN 521 Ca 0.44 0.00 0.10 0.00 -0.53 0.00 0.00 54.58 54.60 1yaj n ASN 521 Cb 0.45 0.00 0.71 0.00 -2.08 0.00 0.00 39.78 38.86 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 -1.99 -0.12 115.11 110.25 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 0.06 0.00 0.87 -0.95 0.00 0.00 178.83 178.81 1yaj h LYS 523 N 0.00 0.00 -6.26 1.46 6.56 -1.94 -3.47 116.57 112.92 1yaj h LYS 523 Ca -0.00 0.00 -0.46 0.00 -1.06 0.00 0.00 60.65 59.13 1yaj h LYS 523 Cb 0.13 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 31.78 1yaj h LYS 523 CO 0.01 0.00 -0.83 0.39 -2.06 0.00 0.00 179.45 176.96 1yaj n GLU 524 N -2.74 -4.54 -3.32 3.15 1.02 -0.06 -4.31 120.64 109.85 1yaj n GLU 524 Ca 0.02 0.55 -0.29 0.00 -0.02 0.00 0.00 57.16 57.41 1yaj n GLU 524 Cb 0.31 -5.07 -0.04 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 -4.13 1.95 0.26 0.62 0.00 -1.26 -0.51 107.32 104.25 1yaj s GLY 525 Ca 0.16 -0.48 0.03 0.00 0.00 0.00 0.00 44.72 44.42 1yaj s GLY 525 CO 0.84 -0.36 0.29 1.58 0.00 0.00 0.00 173.10 175.45 1yaj n TYR 526 N -0.80 -0.89 -4.87 1.90 0.18 0.77 -4.03 117.16 109.43 1yaj n TYR 526 Ca -0.01 -1.98 -0.33 0.00 1.88 0.00 0.00 57.90 57.46 1yaj n TYR 526 Cb 0.54 0.31 -0.16 0.00 -0.38 0.00 0.00 39.34 39.65 1yaj n TYR 526 CO 0.00 0.00 0.00 -1.17 -2.08 0.00 0.00 176.86 173.61 1yaj s LEU 527 N 0.00 2.39 -0.65 -3.48 2.96 -0.83 -0.92 118.68 118.14 1yaj s LEU 527 Ca 0.27 -0.47 -0.18 0.00 -0.22 0.00 0.00 54.13 53.53 1yaj s LEU 527 Cb 0.00 -1.51 0.12 0.00 0.50 0.00 0.00 46.19 45.30 1yaj s LEU 527 CO 0.19 0.14 0.76 -1.10 -1.32 0.00 0.00 176.35 175.01 1yaj s GLN 528 N 0.50 3.16 0.36 1.98 -0.21 0.76 -1.23 119.66 124.97 1yaj s GLN 528 Ca -0.12 -1.49 -0.20 0.00 0.02 0.00 0.00 55.36 53.57 1yaj s GLN 528 Cb -0.16 -4.35 -0.10 0.00 1.00 0.00 0.00 33.01 29.39 1yaj s GLN 528 CO 0.05 -1.54 0.86 0.42 -2.12 0.00 0.00 175.29 172.95 1yaj s ILE 529 N 2.43 4.47 -3.15 1.08 1.01 -1.10 -2.13 121.20 123.82 1yaj s ILE 529 Ca 0.14 1.35 0.00 0.00 0.00 0.00 0.00 60.65 62.14 1yaj s ILE 529 Cb -0.21 -3.69 0.00 0.00 0.01 0.00 0.00 42.46 38.57 1yaj s ILE 529 CO 0.03 -0.15 0.00 0.61 0.00 0.00 0.00 174.94 175.43 1yaj n GLY 530 N -0.22 0.29 0.00 6.18 0.00 -1.26 -1.95 105.19 108.22 1yaj n GLY 530 Ca 0.04 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.84 1yaj n GLY 530 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yaj n ALA 531 N -0.69 -0.16 -2.94 4.61 0.00 -1.26 -3.63 120.51 116.43 1yaj n ALA 531 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1yaj n ALA 531 Cb 0.00 0.30 -0.08 0.00 0.00 0.00 0.00 19.45 19.67 1yaj n ALA 531 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1yaj s ASN 532 N -2.64 6.02 -0.90 0.00 3.04 -1.26 -5.02 114.94 114.18 1yaj s ASN 532 Ca 0.00 -1.34 -0.22 0.00 0.04 0.00 0.00 52.86 51.34 1yaj s ASN 532 Cb 0.00 -2.13 0.08 0.00 -1.54 0.00 0.00 41.25 37.65 1yaj s ASN 532 CO 0.00 -0.61 1.25 -0.89 -3.04 0.00 0.00 177.10 173.81 1yaj s THR 533 N 1.59 4.22 0.24 -5.21 2.01 -1.24 -4.74 115.64 112.51 1yaj s THR 533 Ca 0.04 -0.82 0.06 0.00 0.31 0.00 0.00 61.69 61.28 1yaj s THR 533 Cb -0.24 -4.90 -0.05 0.00 0.01 0.00 0.00 72.50 67.33 1yaj s THR 533 CO 0.06 -1.72 -0.06 0.00 -0.69 0.00 0.00 174.62 172.21 1yaj s GLN 534 N 4.20 1.40 0.65 4.92 -2.07 -0.90 -4.87 119.66 122.98 1yaj s GLN 534 Ca 0.37 -1.68 -0.10 0.00 -1.82 0.00 0.00 55.36 52.12 1yaj s GLN 534 Cb -0.05 -0.94 -0.01 0.00 -1.09 0.00 0.00 33.01 30.92 1yaj s GLN 534 CO -0.04 0.03 1.03 0.00 -1.32 0.00 0.00 175.29 174.99 1yaj s ALA 535 N -3.15 3.05 0.35 2.60 0.00 -1.26 -0.17 121.76 123.17 1yaj s ALA 535 Ca 0.27 -0.32 -0.12 0.00 0.00 0.00 0.00 51.96 51.78 1yaj s ALA 535 Cb 0.03 -2.96 0.03 0.00 0.00 0.00 0.00 23.12 20.23 1yaj s ALA 535 CO 0.09 -0.90 0.66 0.00 0.00 0.00 0.00 175.76 175.61 1yaj s ALA 536 N -3.21 -0.30 0.25 0.00 0.00 -0.09 -4.81 121.76 113.60 1yaj s ALA 536 Ca 0.56 -0.94 0.05 0.00 0.00 0.00 0.00 51.96 51.63 1yaj s ALA 536 Cb -0.11 0.87 -0.05 0.00 0.00 0.00 0.00 23.12 23.83 1yaj s ALA 536 CO 0.51 -0.92 -0.05 -0.65 0.00 0.00 0.00 175.76 174.65 1yaj s GLN 537 N -2.86 1.44 -0.01 0.00 -0.21 -1.26 -0.16 119.66 116.59 1yaj s GLN 537 Ca 0.20 -1.72 -0.00 0.00 0.02 0.00 0.00 55.36 53.86 1yaj s GLN 537 Cb -0.03 -0.94 0.00 0.00 1.00 0.00 0.00 33.01 33.04 1yaj s GLN 537 CO 0.13 0.00 0.00 1.63 -2.12 0.00 0.00 175.29 174.94 1yaj n LYS 538 N -0.49 -0.56 -3.04 2.91 5.02 0.34 -4.89 118.16 117.44 1yaj n LYS 538 Ca -0.06 0.93 -0.41 0.00 -2.02 0.00 0.00 58.31 56.75 1yaj n LYS 538 Cb 0.63 -1.16 -0.06 0.00 -0.02 0.00 0.00 35.03 34.43 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 -0.88 4.09 0.00 -0.35 2.96 -1.26 -4.07 118.68 119.17 1yaj s LEU 539 Ca -0.00 0.68 0.00 0.00 -0.22 0.00 0.00 54.13 54.58 1yaj s LEU 539 Cb 0.00 -2.95 0.00 0.00 0.50 0.00 0.00 46.19 43.74 1yaj s LEU 539 CO 0.04 -0.48 0.00 0.29 -1.32 0.00 0.00 176.35 174.88 1yaj n LYS 540 N 5.92 -1.69 -0.31 1.98 4.76 -1.26 -4.82 118.16 122.74 1yaj n LYS 540 Ca 0.01 0.30 -0.08 0.00 -2.87 0.00 0.00 58.31 55.67 1yaj n LYS 540 Cb 0.48 -4.15 -0.07 0.00 -1.84 0.00 0.00 35.03 29.45 1yaj n LYS 540 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1yaj n ASP 541 N 0.14 -0.79 -0.32 4.39 -0.08 -1.26 0.12 116.55 118.75 1yaj n ASP 541 Ca 0.00 1.54 0.15 0.00 -1.51 0.00 0.00 54.79 54.97 1yaj n ASP 541 Cb 0.30 -0.28 0.34 0.00 2.34 0.00 0.00 41.12 43.83 1yaj n ASP 541 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 1yaj h LYS 542 N 0.00 0.41 0.13 -0.67 1.63 -1.89 -1.64 116.57 114.54 1yaj h LYS 542 Ca 0.12 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.89 1yaj h LYS 542 Cb 0.31 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 31.85 1yaj h LYS 542 CO -0.70 0.27 -0.06 0.93 -3.45 0.00 0.00 179.45 176.44 1yaj h GLU 543 N 0.42 -0.17 -0.45 1.90 3.07 0.52 -3.03 114.58 116.84 1yaj h GLU 543 Ca 0.60 0.01 0.05 0.00 -0.50 0.00 0.00 59.36 59.52 1yaj h GLU 543 Cb 1.18 0.04 -0.08 0.00 -0.84 0.00 0.00 28.75 29.05 1yaj h GLU 543 CO -0.53 0.20 -0.47 0.28 -1.40 0.00 0.00 179.01 177.09 1yaj h VAL 544 N -0.57 0.00 -0.89 3.13 2.07 0.56 -0.10 116.25 120.45 1yaj h VAL 544 Ca -0.02 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.75 1yaj h VAL 544 Cb 0.44 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.06 1yaj h VAL 544 CO 0.03 0.00 0.19 0.00 0.02 0.00 0.00 177.57 177.81 1yaj h ALA 545 N -0.14 1.26 -0.98 1.67 0.00 -1.55 0.19 119.26 119.71 1yaj h ALA 545 Ca 0.08 0.25 0.06 0.00 0.00 0.00 0.00 54.91 55.30 1yaj h ALA 545 Cb 0.46 0.37 -0.06 0.00 0.00 0.00 0.00 17.79 18.56 1yaj h ALA 545 CO -0.56 -0.51 0.63 0.35 0.00 0.00 0.00 179.25 179.17 1yaj h PHE 546 N 0.15 1.16 0.00 0.00 3.57 -0.90 -2.49 116.94 118.44 1yaj h PHE 546 Ca 0.56 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 62.05 1yaj h PHE 546 Cb 1.15 -0.38 -0.01 0.00 2.79 0.00 0.00 35.95 39.51 1yaj h PHE 546 CO -0.31 0.61 -0.93 -1.49 -2.23 0.00 0.00 178.31 173.96 1yaj h TRP 547 N 1.14 0.00 0.00 0.41 4.06 -0.39 -2.89 115.95 118.28 1yaj h TRP 547 Ca 0.42 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.37 1yaj h TRP 547 Cb 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.33 1yaj h TRP 547 CO -0.00 0.14 0.00 2.41 -3.56 0.00 0.00 178.44 177.43 1yaj n THR 548 N -2.80 1.00 -0.00 1.49 -1.04 0.41 -1.47 114.28 111.86 1yaj n THR 548 Ca -0.01 0.25 -0.01 0.00 -2.04 0.00 0.00 64.05 62.24 1yaj n THR 548 Cb 0.61 -1.11 -0.00 0.00 -1.82 0.00 0.00 70.33 68.01 1yaj n THR 548 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1yaj n ASN 549 N -1.34 1.42 -0.11 8.00 3.02 -1.20 -4.51 115.26 120.54 1yaj n ASN 549 Ca 0.03 0.01 0.06 0.00 -0.03 0.00 0.00 54.58 54.65 1yaj n ASN 549 Cb 0.07 -0.02 0.40 0.00 -0.61 0.00 0.00 39.78 39.62 1yaj n ASN 549 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1yaj h LEU 550 N -0.02 0.56 -0.38 3.41 5.85 -1.47 0.96 115.31 124.22 1yaj h LEU 550 Ca -0.02 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.69 1yaj h LEU 550 Cb 1.03 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.93 1yaj h LEU 550 CO -0.01 0.37 0.00 0.49 -0.34 0.00 0.00 178.44 178.95 1yaj n PHE 551 N -4.47 0.06 -0.19 1.25 0.99 -0.55 -2.88 117.46 111.67 1yaj n PHE 551 Ca 0.08 -0.03 0.03 0.00 -0.00 0.00 0.00 57.45 57.53 1yaj n PHE 551 Cb 0.19 0.00 0.06 0.00 -1.00 0.00 0.00 39.48 38.73 1yaj n PHE 551 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1yaj n ALA 552 N -0.44 2.10 -0.56 4.37 0.00 0.30 -5.06 120.51 121.22 1yaj n ALA 552 Ca 0.16 -1.25 0.00 0.00 0.00 0.00 0.00 53.44 52.36 1yaj n ALA 552 Cb 0.17 -0.16 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1yaj n ALA 552 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13