#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 -0.23 0.10 6.43 0.15 -1.26 -5.16 113.70 113.73 1yaj s SER 22 Ca 0.00 0.32 -0.34 0.00 0.70 0.00 0.00 55.95 56.63 1yaj s SER 22 Cb 0.00 1.26 -0.19 0.00 -1.71 0.00 0.00 66.02 65.39 1yaj s SER 22 CO 0.00 -0.04 0.80 -2.65 1.20 0.00 0.00 173.24 172.55 1yaj n PRO 23 N 4.70 0.00 -1.80 5.44 -0.02 -1.26 -4.85 135.00 137.20 1yaj n PRO 23 Ca -0.07 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 60.99 1yaj n PRO 23 Cb 0.55 -1.25 -0.03 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 -0.49 4.16 -0.18 0.52 0.02 -1.25 -4.80 135.00 132.98 1yaj s PRO 24 Ca 0.78 2.48 0.00 0.00 0.02 0.00 0.00 61.00 64.28 1yaj s PRO 24 Cb -1.10 -3.67 0.04 0.00 0.02 0.00 0.00 34.50 29.79 1yaj s PRO 24 CO 0.57 -0.81 -0.09 0.08 -0.33 0.00 0.00 177.00 176.41 1yaj s VAL 25 N 2.92 1.48 0.09 3.83 1.01 -1.26 0.13 120.40 128.60 1yaj s VAL 25 Ca 0.79 -0.86 0.07 0.00 0.00 0.00 0.00 61.98 61.97 1yaj s VAL 25 Cb -0.43 -1.57 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 1yaj s VAL 25 CO 0.35 0.18 -0.13 -0.69 0.00 0.00 0.00 175.10 174.82 1yaj s VAL 26 N 1.47 3.19 -0.30 2.92 1.01 -0.26 -4.91 120.40 123.52 1yaj s VAL 26 Ca -0.00 -1.28 -0.12 0.00 0.00 0.00 0.00 61.98 60.58 1yaj s VAL 26 Cb -0.16 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.73 1yaj s VAL 26 CO -0.08 0.16 0.21 -0.62 0.00 0.00 0.00 175.10 174.76 1yaj s ASP 27 N -2.04 6.03 0.37 3.32 3.68 -1.26 -0.50 116.67 126.27 1yaj s ASP 27 Ca 0.19 -0.16 0.08 0.00 2.13 0.00 0.00 52.55 54.79 1yaj s ASP 27 Cb -0.11 -2.13 -0.04 0.00 -1.45 0.00 0.00 42.92 39.19 1yaj s ASP 27 CO 0.11 -0.12 0.19 0.42 0.13 0.00 0.00 175.17 175.91 1yaj s THR 28 N 1.75 2.85 0.54 1.71 -4.23 -0.53 -4.83 115.64 112.90 1yaj s THR 28 Ca 0.07 -1.62 0.30 0.00 -1.18 0.00 0.00 61.69 59.26 1yaj s THR 28 Cb -0.17 -3.00 0.46 0.00 1.34 0.00 0.00 72.50 71.14 1yaj s THR 28 CO 0.11 -0.12 1.91 0.58 -0.54 0.00 0.00 174.62 176.57 1yaj h VAL 29 N 1.43 0.59 -0.00 2.29 2.07 -1.94 -1.18 116.25 119.51 1yaj h VAL 29 Ca -0.43 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.09 1yaj h VAL 29 Cb 1.25 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 1yaj h VAL 29 CO 0.63 0.00 -0.87 1.41 0.02 0.00 0.00 177.57 178.77 1yaj n HIS 30 N -4.29 0.00 0.00 1.57 8.25 -1.26 -5.03 115.22 114.46 1yaj n HIS 30 Ca 0.16 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.62 1yaj n HIS 30 Cb 0.88 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.96 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 0.37 3.82 -1.41 0.00 -0.45 -2.11 105.19 106.90 1yaj n GLY 31 Ca 0.05 -1.67 -0.33 0.00 0.00 0.00 0.00 46.02 44.06 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 -1.46 4.21 -0.08 1.61 1.02 -1.23 -1.45 119.74 122.37 1yaj s LYS 32 Ca 0.00 1.05 0.01 0.00 0.02 0.00 0.00 55.97 57.05 1yaj s LYS 32 Cb 0.00 -2.27 0.02 0.00 -0.52 0.00 0.00 37.83 35.06 1yaj s LYS 32 CO 0.00 0.03 -0.09 0.08 -0.92 0.00 0.00 175.35 174.44 1yaj s VAL 33 N -2.10 0.99 -0.27 3.17 1.01 0.34 -1.62 120.40 121.92 1yaj s VAL 33 Ca 0.60 -0.34 -0.12 0.00 0.00 0.00 0.00 61.98 62.12 1yaj s VAL 33 Cb -0.10 -0.96 -0.05 0.00 0.00 0.00 0.00 36.38 35.27 1yaj s VAL 33 CO 0.14 0.34 0.22 -0.22 0.00 0.00 0.00 175.10 175.58 1yaj s LEU 34 N 1.12 4.04 0.00 3.92 1.98 0.88 -1.10 118.68 129.53 1yaj s LEU 34 Ca -0.06 0.07 0.00 0.00 -2.89 0.00 0.00 54.13 51.25 1yaj s LEU 34 Cb -0.14 -2.18 0.00 0.00 0.66 0.00 0.00 46.19 44.53 1yaj s LEU 34 CO -0.01 -0.05 0.00 0.61 -1.89 0.00 0.00 176.35 175.00 1yaj n GLY 35 N 4.83 3.98 2.99 7.98 0.00 0.34 -1.24 105.19 124.07 1yaj n GLY 35 Ca -0.13 -2.11 -0.11 0.00 0.00 0.00 0.00 46.02 43.67 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 -0.28 0.36 0.07 1.61 -2.85 -0.83 -3.82 119.74 113.99 1yaj s LYS 36 Ca 0.00 -0.58 -0.17 0.00 -1.00 0.00 0.00 55.97 54.22 1yaj s LYS 36 Cb 0.00 -0.05 -0.06 0.00 -2.06 0.00 0.00 37.83 35.65 1yaj s LYS 36 CO 0.00 -0.01 0.52 -0.06 0.10 0.00 0.00 175.35 175.90 1yaj s PHE 37 N -1.24 3.73 -0.03 1.78 2.99 -1.26 -1.42 117.98 122.53 1yaj s PHE 37 Ca -0.12 1.14 -0.00 0.00 0.00 0.00 0.00 56.93 57.95 1yaj s PHE 37 Cb -0.09 -2.40 0.03 0.00 0.00 0.00 0.00 43.02 40.56 1yaj s PHE 37 CO -0.00 0.56 0.05 0.08 -0.00 0.00 0.00 175.22 175.91 1yaj s VAL 38 N -1.20 -0.06 0.38 -0.44 1.01 -0.09 -4.98 120.40 115.03 1yaj s VAL 38 Ca 0.30 0.21 0.02 0.00 0.00 0.00 0.00 61.98 62.51 1yaj s VAL 38 Cb -0.18 -0.10 -0.01 0.00 0.00 0.00 0.00 36.38 36.09 1yaj s VAL 38 CO 0.18 0.09 0.57 -0.94 0.00 0.00 0.00 175.10 174.99 1yaj s SER 39 N 1.09 5.99 -0.09 3.32 1.04 -1.26 -0.02 113.70 123.77 1yaj s SER 39 Ca -0.09 0.17 -0.04 0.00 0.48 0.00 0.00 55.95 56.48 1yaj s SER 39 Cb -0.13 -1.57 0.05 0.00 0.10 0.00 0.00 66.02 64.47 1yaj s SER 39 CO -0.03 -0.51 0.19 -0.22 0.98 0.00 0.00 173.24 173.65 1yaj s LEU 40 N -4.37 0.36 -0.29 2.42 2.96 -1.26 -4.94 118.68 113.56 1yaj s LEU 40 Ca 0.45 0.41 -0.34 0.00 -0.22 0.00 0.00 54.13 54.42 1yaj s LEU 40 Cb -0.10 0.49 -0.15 0.00 0.50 0.00 0.00 46.19 46.94 1yaj s LEU 40 CO 0.35 -0.18 1.11 -1.84 -1.32 0.00 0.00 176.35 174.47 1yaj n GLU 41 N 4.57 0.00 -0.20 1.98 0.28 -1.26 -1.41 120.64 124.60 1yaj n GLU 41 Ca -0.20 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.80 1yaj n GLU 41 Cb 0.51 -1.12 0.00 0.00 1.43 0.00 0.00 31.44 32.26 1yaj n GLU 41 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1yaj n GLY 42 N 2.58 0.70 2.99 -1.84 0.00 -1.26 -5.06 105.19 103.31 1yaj n GLY 42 Ca 0.21 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.48 1.20 -0.03 1.61 0.40 -0.50 -5.04 117.98 113.14 1yaj s PHE 43 Ca 0.00 -0.39 -0.22 0.00 -0.60 0.00 0.00 56.93 55.72 1yaj s PHE 43 Cb 0.00 -0.90 -0.26 0.00 0.51 0.00 0.00 43.02 42.37 1yaj s PHE 43 CO 0.00 -0.21 1.01 0.00 0.70 0.00 0.00 175.22 176.72 1yaj h ALA 44 N 6.86 0.02 -2.52 5.36 0.00 -1.97 -3.40 119.26 123.61 1yaj h ALA 44 Ca -0.33 -0.58 -0.53 0.00 0.00 0.00 0.00 54.91 53.47 1yaj h ALA 44 Cb 1.18 0.04 0.03 0.00 0.00 0.00 0.00 17.79 19.04 1yaj h ALA 44 CO 0.48 0.28 0.94 1.14 0.00 0.00 0.00 179.25 182.09 1yaj s GLN 45 N -2.93 4.21 0.14 0.00 1.03 -1.26 -4.97 119.66 115.88 1yaj s GLN 45 Ca -0.14 2.34 -0.30 0.00 0.04 0.00 0.00 55.36 57.30 1yaj s GLN 45 Cb 0.02 -3.41 -0.07 0.00 0.03 0.00 0.00 33.01 29.58 1yaj s GLN 45 CO 0.80 -0.68 0.94 -1.25 -2.54 0.00 0.00 175.29 172.57 1yaj s PRO 46 N 1.99 4.73 0.19 9.60 0.04 -1.26 -4.76 135.00 145.53 1yaj s PRO 46 Ca 0.72 1.44 -0.30 0.00 0.04 0.00 0.00 61.00 62.90 1yaj s PRO 46 Cb -0.41 -3.35 -0.08 0.00 0.04 0.00 0.00 34.50 30.70 1yaj s PRO 46 CO 0.32 0.31 0.96 0.08 0.04 0.00 0.00 177.00 178.71 1yaj s VAL 47 N -0.34 4.18 -0.17 -0.36 1.01 0.97 -4.79 120.40 120.91 1yaj s VAL 47 Ca 0.45 2.03 -0.17 0.00 0.00 0.00 0.00 61.98 64.29 1yaj s VAL 47 Cb -0.24 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 31.81 1yaj s VAL 47 CO 0.30 0.41 0.44 0.00 0.00 0.00 0.00 175.10 176.26 1yaj s ALA 48 N -0.70 3.53 -0.10 5.51 0.00 -0.76 -0.91 121.76 128.33 1yaj s ALA 48 Ca 0.44 -0.38 0.04 0.00 0.00 0.00 0.00 51.96 52.05 1yaj s ALA 48 Cb -0.26 -2.66 -0.00 0.00 0.00 0.00 0.00 23.12 20.21 1yaj s ALA 48 CO 0.32 -0.20 -0.23 0.42 0.00 0.00 0.00 175.76 176.07 1yaj s ILE 49 N 1.08 2.18 -0.18 0.00 1.01 -0.51 -1.63 121.20 123.15 1yaj s ILE 49 Ca 0.22 -0.98 0.01 0.00 0.00 0.00 0.00 60.65 59.90 1yaj s ILE 49 Cb -0.15 -1.84 0.02 0.00 0.01 0.00 0.00 42.46 40.51 1yaj s ILE 49 CO 0.09 0.56 -0.19 -0.36 0.00 0.00 0.00 174.94 175.03 1yaj s PHE 50 N 0.31 2.79 -0.10 3.97 0.40 0.01 -1.96 117.98 123.39 1yaj s PHE 50 Ca -0.17 -1.68 -0.01 0.00 -0.60 0.00 0.00 56.93 54.47 1yaj s PHE 50 Cb -0.18 -1.90 -0.03 0.00 0.51 0.00 0.00 43.02 41.42 1yaj s PHE 50 CO 0.08 -0.81 -0.06 -0.51 0.70 0.00 0.00 175.22 174.62 1yaj s LEU 51 N 1.29 3.18 -0.21 -0.37 1.43 0.44 -1.45 118.68 122.99 1yaj s LEU 51 Ca 0.04 -0.07 -0.01 0.00 -1.03 0.00 0.00 54.13 53.06 1yaj s LEU 51 Cb -0.14 -1.72 0.00 0.00 0.03 0.00 0.00 46.19 44.37 1yaj s LEU 51 CO -0.12 0.29 0.18 0.61 0.23 0.00 0.00 176.35 177.54 1yaj n GLY 52 N 2.73 0.70 3.66 -3.19 0.00 -1.23 -3.47 105.19 104.39 1yaj n GLY 52 Ca -0.18 -0.53 -0.42 0.00 0.00 0.00 0.00 46.02 44.90 1yaj n GLY 52 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1yaj s ILE 53 N -3.05 4.84 -0.16 -0.61 1.01 -0.51 -4.80 121.20 117.92 1yaj s ILE 53 Ca 0.09 1.68 -0.29 0.00 0.00 0.00 0.00 60.65 62.13 1yaj s ILE 53 Cb -0.04 -4.16 -0.01 0.00 0.01 0.00 0.00 42.46 38.26 1yaj s ILE 53 CO 0.11 -0.03 1.23 -2.16 0.00 0.00 0.00 174.94 174.09 1yaj s PRO 54 N 2.47 4.25 0.00 2.79 0.04 -1.26 -0.04 135.00 143.25 1yaj s PRO 54 Ca 0.38 1.63 0.20 0.00 0.04 0.00 0.00 61.00 63.25 1yaj s PRO 54 Cb -0.16 -3.72 0.29 0.00 0.04 0.00 0.00 34.50 30.95 1yaj s PRO 54 CO 0.10 -0.66 1.25 1.97 0.04 0.00 0.00 177.00 179.71 1yaj n PHE 55 N 6.37 0.27 -3.54 0.56 1.16 -1.11 -4.90 117.46 116.27 1yaj n PHE 55 Ca 0.13 -0.15 -0.11 0.00 -1.87 0.00 0.00 57.45 55.45 1yaj n PHE 55 Cb 0.45 -0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.29 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 -1.50 -1.29 0.01 1.98 0.00 -1.26 -4.44 121.76 115.26 1yaj s ALA 56 Ca 0.30 0.21 -0.30 0.00 0.00 0.00 0.00 51.96 52.17 1yaj s ALA 56 Cb 0.19 0.82 -0.05 0.00 0.00 0.00 0.00 23.12 24.07 1yaj s ALA 56 CO 0.27 -0.74 1.35 0.21 0.00 0.00 0.00 175.76 176.85 1yaj s LYS 57 N -3.79 4.31 -0.48 0.00 2.20 0.12 -4.52 119.74 117.59 1yaj s LYS 57 Ca 0.03 1.91 -0.43 0.00 -0.36 0.00 0.00 55.97 57.12 1yaj s LYS 57 Cb -0.00 -3.51 -0.18 0.00 -1.51 0.00 0.00 37.83 32.63 1yaj s LYS 57 CO -0.11 -0.50 2.08 -2.30 -0.36 0.00 0.00 175.35 174.16 1yaj n PRO 58 N 5.01 0.14 -0.53 4.03 -0.02 -1.26 -4.57 135.00 137.80 1yaj n PRO 58 Ca 0.12 0.04 -0.22 0.00 -2.02 0.00 0.00 63.50 61.42 1yaj n PRO 58 Cb 0.44 -1.62 -0.03 0.00 -0.02 0.00 0.00 33.50 32.27 1yaj n PRO 58 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1yaj n PRO 59 N 7.18 0.97 -3.48 0.52 -0.04 -1.26 -4.83 135.00 134.06 1yaj n PRO 59 Ca 0.50 -1.14 -0.22 0.00 -0.04 0.00 0.00 63.50 62.60 1yaj n PRO 59 Cb -0.01 -2.39 0.01 0.00 -0.04 0.00 0.00 33.50 31.06 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 0.24 3.10 0.00 1.53 1.43 -1.26 -4.05 118.68 119.67 1yaj s LEU 60 Ca 0.34 -0.92 0.00 0.00 -1.03 0.00 0.00 54.13 52.53 1yaj s LEU 60 Cb 0.08 -1.69 0.00 0.00 0.03 0.00 0.00 46.19 44.61 1yaj s LEU 60 CO 0.06 -1.01 0.00 0.61 0.23 0.00 0.00 176.35 176.25 1yaj n GLY 61 N -1.84 2.50 0.00 -3.19 0.00 -1.26 -0.23 105.19 101.17 1yaj n GLY 61 Ca 0.06 -0.31 0.02 0.00 0.00 0.00 0.00 46.02 45.78 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 14.00 0.02 0.00 1.61 -0.04 -1.26 -2.21 135.00 147.12 1yaj n PRO 62 Ca 0.00 0.37 0.11 0.00 -0.04 0.00 0.00 63.50 63.94 1yaj n PRO 62 Cb 0.00 -1.50 0.58 0.00 -0.04 0.00 0.00 33.50 32.54 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 -1.43 0.00 -4.77 1.53 4.77 0.68 -4.80 117.00 112.98 1yaj n LEU 63 Ca 0.01 0.28 -0.39 0.00 -0.03 0.00 0.00 56.01 55.88 1yaj n LEU 63 Cb 0.05 -0.28 -0.01 0.00 -2.33 0.00 0.00 43.42 40.85 1yaj n LEU 63 CO 0.04 -0.07 0.93 -0.60 -1.33 0.00 0.00 177.39 176.36 1yaj s ARG 64 N -2.56 4.10 -1.22 3.23 3.52 -0.94 -3.18 118.95 121.90 1yaj s ARG 64 Ca 0.22 2.07 -0.01 0.00 -0.13 0.00 0.00 55.73 57.89 1yaj s ARG 64 Cb 0.15 -2.82 0.00 0.00 -1.56 0.00 0.00 34.95 30.72 1yaj s ARG 64 CO 0.35 -0.36 0.99 1.19 -0.81 0.00 0.00 175.30 176.66 1yaj n PHE 65 N 0.30 -2.21 -3.48 5.12 3.72 -1.26 -4.97 117.46 114.68 1yaj n PHE 65 Ca 0.03 0.94 -0.11 0.00 -0.05 0.00 0.00 57.45 58.25 1yaj n PHE 65 Cb 0.44 -5.04 -0.03 0.00 -0.94 0.00 0.00 39.48 33.92 1yaj n PHE 65 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1yaj s THR 66 N -3.38 0.01 0.73 4.37 -4.23 -1.19 -4.87 115.64 107.08 1yaj s THR 66 Ca 0.03 -0.16 -0.16 0.00 -1.18 0.00 0.00 61.69 60.22 1yaj s THR 66 Cb -0.02 -1.07 -0.03 0.00 1.34 0.00 0.00 72.50 72.73 1yaj s THR 66 CO 0.74 -0.07 0.63 -2.65 -0.54 0.00 0.00 174.62 172.73 1yaj n PRO 67 N -0.35 0.33 -2.09 3.99 -0.02 -1.26 -4.89 135.00 130.71 1yaj n PRO 67 Ca -0.16 0.16 -0.42 0.00 -2.02 0.00 0.00 63.50 61.05 1yaj n PRO 67 Cb 0.65 -1.92 -0.03 0.00 -0.02 0.00 0.00 33.50 32.18 1yaj n PRO 67 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1yaj s PRO 68 N -2.90 4.24 -0.07 0.52 0.02 -1.26 -5.02 135.00 130.52 1yaj s PRO 68 Ca 0.67 2.13 -0.07 0.00 0.02 0.00 0.00 61.00 63.74 1yaj s PRO 68 Cb -0.35 -3.64 -0.04 0.00 0.02 0.00 0.00 34.50 30.49 1yaj s PRO 68 CO 0.56 -0.67 0.20 -0.65 -0.33 0.00 0.00 177.00 176.11 1yaj s GLN 69 N 2.73 3.52 0.24 5.54 -0.21 -1.26 -5.00 119.66 125.22 1yaj s GLN 69 Ca 0.69 -0.08 -0.31 0.00 0.02 0.00 0.00 55.36 55.67 1yaj s GLN 69 Cb -0.35 -3.16 -0.13 0.00 1.00 0.00 0.00 33.01 30.37 1yaj s GLN 69 CO 0.29 0.74 1.42 -2.30 -2.12 0.00 0.00 175.29 173.31 1yaj n PRO 70 N 1.69 2.09 -1.22 2.91 -0.02 -1.26 0.10 135.00 139.30 1yaj n PRO 70 Ca -0.17 0.74 -0.33 0.00 -2.02 0.00 0.00 63.50 61.72 1yaj n PRO 70 Cb 0.54 -2.41 0.11 0.00 -0.02 0.00 0.00 33.50 31.73 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 -0.07 1.95 -0.10 3.55 0.00 -1.26 -4.10 121.76 121.73 1yaj s ALA 71 Ca 0.68 0.77 -0.16 0.00 0.00 0.00 0.00 51.96 53.24 1yaj s ALA 71 Cb -0.64 -3.45 -0.05 0.00 0.00 0.00 0.00 23.12 18.98 1yaj s ALA 71 CO 0.50 -2.12 0.41 -1.21 0.00 0.00 0.00 175.76 173.34 1yaj s GLU 72 N -4.17 4.22 0.27 0.00 2.02 -1.26 -4.86 118.70 114.91 1yaj s GLU 72 Ca 0.72 0.35 -0.30 0.00 0.02 0.00 0.00 54.97 55.75 1yaj s GLU 72 Cb -0.27 -3.38 -0.11 0.00 0.10 0.00 0.00 34.13 30.47 1yaj s GLU 72 CO 0.49 0.31 1.54 -1.25 0.02 0.00 0.00 175.26 176.37 1yaj s PRO 73 N 0.17 4.18 0.17 0.39 0.04 -1.26 -5.02 135.00 133.67 1yaj s PRO 73 Ca 0.23 2.47 -0.12 0.00 0.04 0.00 0.00 61.00 63.62 1yaj s PRO 73 Cb -0.15 -3.06 -0.07 0.00 0.04 0.00 0.00 34.50 31.27 1yaj s PRO 73 CO 0.09 -0.55 0.53 1.67 0.04 0.00 0.00 177.00 178.78 1yaj s TRP 74 N 0.01 3.54 -1.61 0.56 -2.14 -0.90 -4.99 118.94 113.41 1yaj s TRP 74 Ca 0.62 0.95 0.29 0.00 2.66 0.00 0.00 56.10 60.62 1yaj s TRP 74 Cb -0.45 -2.30 1.30 0.00 -3.10 0.00 0.00 33.47 28.92 1yaj s TRP 74 CO 0.46 0.39 1.91 0.43 -2.66 0.00 0.00 176.95 177.47 1yaj n SER 75 N 0.48 0.36 0.00 -2.66 7.64 -1.26 -4.63 113.62 113.55 1yaj n SER 75 Ca -0.04 -0.49 0.00 0.00 1.01 0.00 0.00 58.87 59.35 1yaj n SER 75 Cb 0.52 -0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.61 1yaj n SER 75 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1yaj n PHE 76 N -1.03 0.00 -4.04 1.43 0.99 -1.26 -5.05 117.46 108.50 1yaj n PHE 76 Ca 0.15 0.00 -0.32 0.00 -0.00 0.00 0.00 57.45 57.28 1yaj n PHE 76 Cb 0.27 0.00 -0.15 0.00 -1.00 0.00 0.00 39.48 38.59 1yaj n PHE 76 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.76 176.84 1yaj s VAL 77 N 3.27 2.06 -0.00 -4.37 1.01 -1.26 -3.50 120.40 117.61 1yaj s VAL 77 Ca 0.00 -1.61 -0.30 0.00 0.00 0.00 0.00 61.98 60.07 1yaj s VAL 77 Cb 0.00 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 1yaj s VAL 77 CO 0.00 -0.09 1.08 -0.75 0.00 0.00 0.00 175.10 175.34 1yaj s LYS 78 N 1.14 4.48 -1.03 2.72 2.20 -0.64 -4.85 119.74 123.76 1yaj s LYS 78 Ca -0.07 1.55 -0.20 0.00 -0.36 0.00 0.00 55.97 56.89 1yaj s LYS 78 Cb -0.20 -3.45 0.09 0.00 -1.51 0.00 0.00 37.83 32.76 1yaj s LYS 78 CO -0.06 -0.20 1.36 -0.80 -0.36 0.00 0.00 175.35 175.30 1yaj s ASN 79 N 1.10 6.61 -1.39 1.43 -0.87 -1.26 -0.08 114.94 120.47 1yaj s ASN 79 Ca 0.54 -1.85 -0.11 0.00 -1.57 0.00 0.00 52.86 49.86 1yaj s ASN 79 Cb -0.24 -2.50 0.09 0.00 -0.02 0.00 0.00 41.25 38.58 1yaj s ASN 79 CO 0.26 -1.27 2.15 0.00 -2.57 0.00 0.00 177.10 175.67 1yaj n ALA 80 N 7.81 5.69 -0.51 0.60 0.00 -0.37 -4.38 120.51 129.35 1yaj n ALA 80 Ca 0.32 -4.04 0.01 0.00 0.00 0.00 0.00 53.44 49.73 1yaj n ALA 80 Cb 0.49 -3.27 0.01 0.00 0.00 0.00 0.00 19.45 16.69 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 4.12 0.74 -4.43 0.00 -2.24 -1.23 -0.42 114.28 110.83 1yaj n THR 81 Ca 0.50 -0.78 -0.22 0.00 -2.27 0.00 0.00 64.05 61.27 1yaj n THR 81 Cb 0.36 0.57 -0.10 0.00 -2.10 0.00 0.00 70.33 69.06 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 -0.89 3.28 -0.20 3.42 0.01 -1.26 -4.90 113.70 113.15 1yaj s SER 82 Ca 0.03 -1.02 -0.29 0.00 1.31 0.00 0.00 55.95 55.98 1yaj s SER 82 Cb 0.03 -0.25 0.01 0.00 0.21 0.00 0.00 66.02 66.01 1yaj s SER 82 CO 0.00 -0.02 1.04 -0.31 0.41 0.00 0.00 173.24 174.36 1yaj s TYR 83 N -2.62 3.36 0.54 2.43 2.02 -1.26 -3.68 117.35 118.14 1yaj s TYR 83 Ca 0.27 1.48 -0.20 0.00 -0.37 0.00 0.00 57.07 58.26 1yaj s TYR 83 Cb -0.04 -3.26 -0.06 0.00 -0.40 0.00 0.00 41.96 38.20 1yaj s TYR 83 CO 0.12 -0.46 1.14 -1.25 -1.57 0.00 0.00 175.55 173.53 1yaj s PRO 84 N 2.98 3.35 0.97 -1.71 0.04 -1.26 -4.98 135.00 134.38 1yaj s PRO 84 Ca 0.45 1.63 -0.11 0.00 0.04 0.00 0.00 61.00 63.01 1yaj s PRO 84 Cb -0.16 -2.01 0.17 0.00 0.04 0.00 0.00 34.50 32.54 1yaj s PRO 84 CO 0.09 -0.86 1.09 -2.14 0.04 0.00 0.00 177.00 175.22 1yaj s PRO 85 N -3.27 0.67 0.02 0.56 0.02 -1.26 -4.88 135.00 126.86 1yaj s PRO 85 Ca 0.73 1.05 0.01 0.00 0.02 0.00 0.00 61.00 62.81 1yaj s PRO 85 Cb -0.24 -1.72 -0.04 0.00 0.02 0.00 0.00 34.50 32.51 1yaj s PRO 85 CO 0.27 -2.71 0.06 0.00 -0.33 0.00 0.00 177.00 174.29 1yaj s MET 86 N -4.73 2.93 0.47 5.54 0.23 -0.65 -4.76 119.30 118.34 1yaj s MET 86 Ca 0.65 -0.58 -0.23 0.00 -1.03 0.00 0.00 55.69 54.50 1yaj s MET 86 Cb -0.21 -2.77 -0.09 0.00 -1.53 0.00 0.00 34.83 30.23 1yaj s MET 86 CO 0.59 0.62 1.14 0.00 -2.03 0.00 0.00 175.02 175.34 1yaj n THR 88 N -0.67 0.90 -3.65 0.00 -1.04 -1.14 -4.74 114.28 103.93 1yaj n THR 88 Ca 0.09 -0.22 -0.02 0.00 -2.04 0.00 0.00 64.05 61.86 1yaj n THR 88 Cb 0.41 -0.64 -0.01 0.00 -1.82 0.00 0.00 70.33 68.27 1yaj n THR 88 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1yaj s GLN 89 N -0.40 0.71 -0.89 -2.82 -2.07 -1.26 -4.83 119.66 108.10 1yaj s GLN 89 Ca 0.74 -0.37 -0.23 0.00 -1.82 0.00 0.00 55.36 53.69 1yaj s GLN 89 Cb -0.91 0.26 -0.22 0.00 -1.09 0.00 0.00 33.01 31.04 1yaj s GLN 89 CO 0.53 -0.32 2.45 -3.47 -1.32 0.00 0.00 175.29 173.16 1yaj n ASP 90 N -0.40 0.29 -0.40 12.60 -0.08 -1.26 -4.76 116.55 122.54 1yaj n ASP 90 Ca -0.07 -0.38 0.32 0.00 -1.51 0.00 0.00 54.79 53.16 1yaj n ASP 90 Cb 0.61 -1.01 0.61 0.00 2.34 0.00 0.00 41.12 43.68 1yaj n ASP 90 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1yaj h PRO 91 N 13.09 0.18 0.00 -0.67 0.13 -1.98 0.30 132.00 143.05 1yaj h PRO 91 Ca -0.05 -0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 65.03 1yaj h PRO 91 Cb 1.21 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1yaj h PRO 91 CO 1.37 0.12 -0.35 0.87 -0.23 0.00 0.00 178.00 179.78 1yaj h LYS 92 N 0.18 0.00 -1.00 0.86 1.57 -1.99 -2.81 116.57 113.39 1yaj h LYS 92 Ca 0.72 0.00 0.23 0.00 -1.87 0.00 0.00 60.65 59.73 1yaj h LYS 92 Cb 2.21 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 34.40 1yaj h LYS 92 CO -0.32 0.39 0.59 0.00 -0.57 0.00 0.00 179.45 179.54 1yaj h ALA 93 N -0.69 1.73 -0.06 3.86 0.00 -1.81 0.17 119.26 122.45 1yaj h ALA 93 Ca -0.06 0.11 -0.21 0.00 0.00 0.00 0.00 54.91 54.75 1yaj h ALA 93 Cb 0.58 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1yaj h ALA 93 CO -0.04 -0.20 -0.84 0.78 0.00 0.00 0.00 179.25 178.95 1yaj h GLY 94 N 0.63 0.56 1.44 0.00 0.00 -0.55 -2.42 103.07 102.72 1yaj h GLY 94 Ca 0.62 -0.87 -0.15 0.00 0.00 0.00 0.00 47.33 46.93 1yaj h GLY 94 CO -0.45 0.77 -0.50 -1.61 0.00 0.00 0.00 176.54 174.75 1yaj h GLN 95 N 0.32 0.60 0.19 4.80 4.15 -0.81 -2.63 115.11 121.72 1yaj h GLN 95 Ca -0.06 -0.35 -0.01 0.00 0.77 0.00 0.00 58.65 59.00 1yaj h GLN 95 Cb 1.45 0.03 0.00 0.00 0.21 0.00 0.00 27.48 29.17 1yaj h GLN 95 CO 0.15 0.96 -0.09 1.25 -1.93 0.00 0.00 178.83 179.17 1yaj h LEU 96 N 0.47 -0.21 -1.71 -2.39 5.85 -0.74 -2.15 115.31 114.42 1yaj h LEU 96 Ca 0.02 -0.20 0.12 0.00 0.84 0.00 0.00 57.88 58.66 1yaj h LEU 96 Cb 1.03 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 42.08 1yaj h LEU 96 CO 0.10 0.09 0.41 0.25 -0.34 0.00 0.00 178.44 178.95 1yaj h LEU 97 N -0.53 0.28 -0.73 2.25 5.85 -1.44 -0.57 115.31 120.42 1yaj h LEU 97 Ca -0.03 0.01 -0.13 0.00 0.84 0.00 0.00 57.88 58.57 1yaj h LEU 97 Cb 0.40 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 1yaj h LEU 97 CO 0.04 0.16 -0.46 -1.28 -0.34 0.00 0.00 178.44 176.56 1yaj h SER 98 N 0.31 0.44 -0.41 1.25 0.87 -1.22 -1.73 113.55 113.05 1yaj h SER 98 Ca 0.29 -0.21 -0.06 0.00 -1.23 0.00 0.00 61.79 60.58 1yaj h SER 98 Cb 0.71 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.53 1yaj h SER 98 CO -0.07 0.84 0.03 -0.33 -0.53 0.00 0.00 176.83 176.77 1yaj h GLU 99 N 0.33 0.71 -0.02 2.24 5.08 -0.46 -1.11 114.58 121.36 1yaj h GLU 99 Ca 0.02 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1yaj h GLU 99 Cb 0.94 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.12 1yaj h GLU 99 CO 0.08 0.78 -0.00 -0.07 -1.00 0.00 0.00 179.01 178.80 1yaj h LEU 100 N 0.55 0.03 -0.10 1.33 3.38 -1.29 -3.32 115.31 115.89 1yaj h LEU 100 Ca 0.12 -0.32 -0.23 0.00 0.09 0.00 0.00 57.88 57.54 1yaj h LEU 100 Cb 0.44 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1yaj h LEU 100 CO 0.02 0.35 -1.02 -0.26 0.09 0.00 0.00 178.44 177.61 1yaj h PHE 101 N -0.29 0.35 -1.41 1.13 0.04 -1.36 -3.48 116.94 111.94 1yaj h PHE 101 Ca 0.00 -0.22 -0.42 0.00 2.80 0.00 0.00 57.97 60.14 1yaj h PHE 101 Cb 0.33 -0.03 0.13 0.00 2.20 0.00 0.00 35.95 38.59 1yaj h PHE 101 CO 0.04 1.10 -0.88 -2.37 -0.60 0.00 0.00 178.31 175.59 1yaj n THR 102 N -3.58 0.00 -1.05 -1.55 5.66 -0.42 -4.90 114.28 108.44 1yaj n THR 102 Ca -0.05 -0.35 0.09 0.00 -3.05 0.00 0.00 64.05 60.68 1yaj n THR 102 Cb 0.90 0.00 0.12 0.00 -1.55 0.00 0.00 70.33 69.80 1yaj n THR 102 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 1yaj n ASN 103 N 1.86 2.17 -4.53 1.09 6.94 -1.25 -5.00 115.26 116.53 1yaj n ASN 103 Ca 0.05 -2.93 -0.28 0.00 -0.02 0.00 0.00 54.58 51.39 1yaj n ASN 103 Cb 0.34 -0.38 -0.10 0.00 -2.36 0.00 0.00 39.78 37.27 1yaj n ASN 103 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1yaj s ARG 104 N -2.55 1.92 0.17 -3.83 1.70 -1.26 -4.47 118.95 110.62 1yaj s ARG 104 Ca 0.27 -1.22 -0.16 0.00 -0.47 0.00 0.00 55.73 54.16 1yaj s ARG 104 Cb 0.24 -2.14 0.13 0.00 -0.57 0.00 0.00 34.95 32.61 1yaj s ARG 104 CO 0.03 0.46 1.68 1.57 -1.08 0.00 0.00 175.30 177.96 1yaj h LYS 105 N 3.36 0.07 -4.97 3.89 2.10 -1.94 -3.39 116.57 115.68 1yaj h LYS 105 Ca -0.48 -0.00 -0.66 0.00 -2.00 0.00 0.00 60.65 57.51 1yaj h LYS 105 Cb 1.18 -0.02 -0.27 0.00 -0.90 0.00 0.00 32.23 32.23 1yaj h LYS 105 CO 0.50 0.04 -0.70 -1.83 -2.00 0.00 0.00 179.45 175.47 1yaj s GLU 106 N -6.19 3.40 0.74 0.07 -1.05 -1.26 -5.04 118.70 109.37 1yaj s GLU 106 Ca -0.14 -0.62 -0.14 0.00 -0.15 0.00 0.00 54.97 53.93 1yaj s GLU 106 Cb 0.15 -3.10 0.04 0.00 -0.44 0.00 0.00 34.13 30.78 1yaj s GLU 106 CO 0.71 -0.22 1.15 1.21 0.95 0.00 0.00 175.26 179.07 1yaj s ASN 107 N 1.51 4.33 -0.17 0.83 3.04 -1.26 -5.01 114.94 118.20 1yaj s ASN 107 Ca 0.06 2.16 -0.01 0.00 0.04 0.00 0.00 52.86 55.11 1yaj s ASN 107 Cb -0.15 -2.57 -0.00 0.00 -1.54 0.00 0.00 41.25 36.99 1yaj s ASN 107 CO -0.02 -2.16 -0.12 -0.63 -3.04 0.00 0.00 177.10 171.13 1yaj s ILE 108 N -2.29 2.87 0.59 -5.21 -1.09 -1.26 -5.11 121.20 109.70 1yaj s ILE 108 Ca 0.69 -0.69 -0.17 0.00 -2.23 0.00 0.00 60.65 58.25 1yaj s ILE 108 Cb -0.24 -2.24 -0.04 0.00 -1.58 0.00 0.00 42.46 38.36 1yaj s ILE 108 CO 0.47 0.49 1.11 -2.16 -1.23 0.00 0.00 174.94 173.62 1yaj s PRO 109 N 0.98 3.17 0.03 2.79 0.04 -1.26 -4.99 135.00 135.76 1yaj s PRO 109 Ca -0.02 1.47 0.04 0.00 0.04 0.00 0.00 61.00 62.53 1yaj s PRO 109 Cb -0.15 -1.99 -0.02 0.00 0.04 0.00 0.00 34.50 32.38 1yaj s PRO 109 CO -0.02 -0.97 -0.12 -0.51 0.04 0.00 0.00 177.00 175.43 1yaj s LEU 110 N -4.26 2.15 0.28 -3.56 1.43 -1.26 -5.12 118.68 108.35 1yaj s LEU 110 Ca 0.69 -0.41 -0.14 0.00 -1.03 0.00 0.00 54.13 53.25 1yaj s LEU 110 Cb -0.21 -0.49 -0.08 0.00 0.03 0.00 0.00 46.19 45.43 1yaj s LEU 110 CO 0.33 0.01 0.67 -0.75 0.23 0.00 0.00 176.35 176.84 1yaj s LYS 111 N -1.02 3.97 -0.13 1.70 2.47 -1.26 -4.91 119.74 120.56 1yaj s LYS 111 Ca 0.00 0.57 -0.10 0.00 -1.56 0.00 0.00 55.97 54.87 1yaj s LYS 111 Cb -0.07 -2.56 -0.05 0.00 -1.46 0.00 0.00 37.83 33.69 1yaj s LYS 111 CO 0.01 0.24 0.21 -0.51 0.16 0.00 0.00 175.35 175.46 1yaj s LEU 112 N -2.79 4.33 0.04 5.43 1.43 -1.26 -1.64 118.68 124.21 1yaj s LEU 112 Ca 0.50 0.49 -0.27 0.00 -1.03 0.00 0.00 54.13 53.82 1yaj s LEU 112 Cb -0.11 -2.21 0.07 0.00 0.03 0.00 0.00 46.19 43.96 1yaj s LEU 112 CO 0.19 0.28 0.63 -0.55 0.23 0.00 0.00 176.35 177.13 1yaj s SER 113 N -0.39 -0.60 0.31 2.29 0.15 -1.06 -4.92 113.70 109.47 1yaj s SER 113 Ca 0.15 0.40 0.14 0.00 0.70 0.00 0.00 55.95 57.34 1yaj s SER 113 Cb -0.13 0.56 0.43 0.00 -1.71 0.00 0.00 66.02 65.17 1yaj s SER 113 CO 0.04 -0.75 1.62 -0.33 1.20 0.00 0.00 173.24 175.02 1yaj h GLU 114 N 2.61 0.00 -6.16 5.44 5.08 -1.95 -3.03 114.58 116.58 1yaj h GLU 114 Ca -0.30 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.47 1yaj h GLU 114 Cb 1.21 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.36 1yaj h GLU 114 CO 0.39 0.53 1.40 0.34 -1.00 0.00 0.00 179.01 180.67 1yaj s ASP 115 N -6.61 6.43 -0.00 1.42 2.15 -1.26 -4.61 116.67 114.19 1yaj s ASP 115 Ca 0.00 -1.24 0.00 0.00 0.43 0.00 0.00 52.55 51.74 1yaj s ASP 115 Cb 0.11 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 40.17 1yaj s ASP 115 CO 0.73 -1.58 0.58 0.00 -0.17 0.00 0.00 175.17 174.73 1yaj s LEU 117 N -0.06 4.21 0.16 0.00 1.43 -1.26 -4.70 118.68 118.46 1yaj s LEU 117 Ca 0.00 -2.57 0.00 0.00 -1.03 0.00 0.00 54.13 50.53 1yaj s LEU 117 Cb 0.00 -2.52 -0.04 0.00 0.03 0.00 0.00 46.19 43.66 1yaj s LEU 117 CO 0.00 -1.05 0.03 -0.31 0.23 0.00 0.00 176.35 175.25 1yaj s TYR 118 N 3.43 1.05 0.02 0.29 1.51 -1.26 -2.73 117.35 119.66 1yaj s TYR 118 Ca 0.50 -1.13 -0.03 0.00 -1.01 0.00 0.00 57.07 55.40 1yaj s TYR 118 Cb 0.02 -0.60 -0.02 0.00 -0.11 0.00 0.00 41.96 41.25 1yaj s TYR 118 CO 0.05 -0.36 0.03 -0.48 -1.11 0.00 0.00 175.55 173.67 1yaj s LEU 119 N -3.12 2.06 0.11 -1.29 0.05 0.94 -2.63 118.68 114.80 1yaj s LEU 119 Ca 0.24 -0.51 0.05 0.00 0.05 0.00 0.00 54.13 53.96 1yaj s LEU 119 Cb 0.07 0.32 -0.04 0.00 -2.05 0.00 0.00 46.19 44.49 1yaj s LEU 119 CO 0.03 -0.39 -0.00 0.20 -0.55 0.00 0.00 176.35 175.63 1yaj s ASN 120 N -1.76 4.95 -0.01 1.48 0.01 0.22 -1.43 114.94 118.39 1yaj s ASN 120 Ca -0.11 -0.23 0.03 0.00 -0.71 0.00 0.00 52.86 51.85 1yaj s ASN 120 Cb -0.06 -1.15 -0.01 0.00 0.41 0.00 0.00 41.25 40.45 1yaj s ASN 120 CO -0.02 0.16 -0.11 -0.63 -1.51 0.00 0.00 177.10 174.98 1yaj s ILE 121 N -1.38 0.90 -0.28 0.60 1.01 -0.53 -2.02 121.20 119.50 1yaj s ILE 121 Ca 0.26 -0.47 0.01 0.00 0.00 0.00 0.00 60.65 60.45 1yaj s ILE 121 Cb -0.11 -0.76 0.08 0.00 0.01 0.00 0.00 42.46 41.68 1yaj s ILE 121 CO 0.18 0.26 0.02 -0.31 0.00 0.00 0.00 174.94 175.09 1yaj s TYR 122 N -0.13 2.51 -0.18 3.97 1.51 -0.50 -0.81 117.35 123.72 1yaj s TYR 122 Ca 0.02 -2.04 -0.02 0.00 -1.01 0.00 0.00 57.07 54.01 1yaj s TYR 122 Cb -0.06 -1.94 -0.01 0.00 -0.11 0.00 0.00 41.96 39.84 1yaj s TYR 122 CO -0.00 -0.84 -0.08 -0.08 -1.11 0.00 0.00 175.55 173.44 1yaj s THR 123 N 1.35 3.28 -0.44 -0.71 -1.32 -0.64 -2.07 115.64 115.08 1yaj s THR 123 Ca 0.03 -0.55 0.08 0.00 -1.21 0.00 0.00 61.69 60.04 1yaj s THR 123 Cb -0.18 -2.44 0.54 0.00 -1.51 0.00 0.00 72.50 68.91 1yaj s THR 123 CO -0.12 0.47 1.42 -0.81 -2.21 0.00 0.00 174.62 173.37 1yaj n PRO 124 N 4.19 3.28 -3.95 7.08 -0.04 -1.26 -1.82 135.00 142.47 1yaj n PRO 124 Ca -0.18 -2.15 -0.29 0.00 -0.04 0.00 0.00 63.50 60.84 1yaj n PRO 124 Cb 0.52 -1.98 -0.04 0.00 -0.04 0.00 0.00 33.50 31.95 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 -2.22 3.92 -0.51 0.55 0.00 -1.26 -4.97 121.76 117.27 1yaj s ALA 125 Ca 0.38 -0.95 -0.27 0.00 0.00 0.00 0.00 51.96 51.12 1yaj s ALA 125 Cb 0.30 -1.74 0.03 0.00 0.00 0.00 0.00 23.12 21.71 1yaj s ALA 125 CO 0.10 0.70 1.03 0.34 0.00 0.00 0.00 175.76 177.93 1yaj s ASP 126 N -2.80 6.48 0.00 0.00 2.15 -1.26 -4.79 116.67 116.46 1yaj s ASP 126 Ca 0.34 0.09 0.04 0.00 0.43 0.00 0.00 52.55 53.45 1yaj s ASP 126 Cb -0.12 -2.49 0.22 0.00 -0.30 0.00 0.00 42.92 40.23 1yaj s ASP 126 CO 0.27 -1.23 0.99 0.18 -0.17 0.00 0.00 175.17 175.22 1yaj n LEU 127 N 7.66 0.00 -1.08 -1.34 4.77 -1.26 -0.93 117.00 124.82 1yaj n LEU 127 Ca 0.07 0.31 0.09 0.00 -0.03 0.00 0.00 56.01 56.45 1yaj n LEU 127 Cb 0.48 -0.31 0.26 0.00 -2.33 0.00 0.00 43.42 41.52 1yaj n LEU 127 CO 0.67 -0.26 0.72 0.35 -1.33 0.00 0.00 177.39 177.54 1yaj n THR 128 N -1.31 0.79 -3.96 -5.08 -2.24 -1.26 -4.88 114.28 96.34 1yaj n THR 128 Ca 0.02 -0.78 -0.09 0.00 -2.27 0.00 0.00 64.05 60.92 1yaj n THR 128 Cb 0.04 0.38 -0.11 0.00 -2.10 0.00 0.00 70.33 68.54 1yaj n THR 128 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1yaj s LYS 129 N -1.23 0.31 0.12 -0.78 1.02 -0.11 -5.12 119.74 113.95 1yaj s LYS 129 Ca 0.39 -0.55 -0.31 0.00 0.02 0.00 0.00 55.97 55.52 1yaj s LYS 129 Cb 0.20 0.12 -0.09 0.00 -0.52 0.00 0.00 37.83 37.54 1yaj s LYS 129 CO 0.26 -0.06 1.57 0.21 -0.92 0.00 0.00 175.35 176.42 1yaj s LYS 130 N -1.36 4.22 -0.12 1.68 2.20 -1.26 -4.77 119.74 120.33 1yaj s LYS 130 Ca -0.15 2.30 -0.09 0.00 -0.36 0.00 0.00 55.97 57.67 1yaj s LYS 130 Cb -0.09 -3.35 0.04 0.00 -1.51 0.00 0.00 37.83 32.92 1yaj s LYS 130 CO -0.01 -0.63 0.31 -0.80 -0.36 0.00 0.00 175.35 173.86 1yaj s ASN 131 N 1.63 -0.34 -0.55 1.43 0.01 -1.26 -5.04 114.94 110.82 1yaj s ASN 131 Ca 0.70 0.64 0.06 0.00 -0.71 0.00 0.00 52.86 53.55 1yaj s ASN 131 Cb -0.41 0.59 0.21 0.00 0.41 0.00 0.00 41.25 42.06 1yaj s ASN 131 CO 0.31 -0.14 0.55 0.54 -1.51 0.00 0.00 177.10 176.85 1yaj n ARG 132 N 3.48 1.45 -3.27 -0.60 3.00 -1.24 -3.37 116.66 116.11 1yaj n ARG 132 Ca -0.18 -3.99 -0.31 0.00 -0.01 0.00 0.00 57.85 53.36 1yaj n ARG 132 Cb 0.56 -1.91 -0.05 0.00 0.00 0.00 0.00 32.46 31.07 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 -1.39 4.08 0.50 0.55 1.43 -0.63 -4.37 118.68 118.85 1yaj s LEU 133 Ca 0.33 1.00 -0.23 0.00 -1.03 0.00 0.00 54.13 54.20 1yaj s LEU 133 Cb 0.08 -3.79 -0.06 0.00 0.03 0.00 0.00 46.19 42.45 1yaj s LEU 133 CO -0.12 -0.16 1.36 -2.16 0.23 0.00 0.00 176.35 175.50 1yaj s PRO 134 N -3.10 3.39 -0.14 1.29 0.04 -1.26 -1.00 135.00 134.22 1yaj s PRO 134 Ca 0.49 2.25 -0.06 0.00 0.04 0.00 0.00 61.00 63.72 1yaj s PRO 134 Cb -0.11 -2.41 -0.04 0.00 0.04 0.00 0.00 34.50 31.98 1yaj s PRO 134 CO 0.23 -0.99 0.06 0.08 0.04 0.00 0.00 177.00 176.42 1yaj s VAL 135 N -1.29 4.82 -0.34 -0.36 1.01 -0.74 -1.82 120.40 121.68 1yaj s VAL 135 Ca 0.67 -0.04 0.04 0.00 0.00 0.00 0.00 61.98 62.65 1yaj s VAL 135 Cb -0.40 -3.11 0.10 0.00 0.00 0.00 0.00 36.38 32.96 1yaj s VAL 135 CO 0.49 0.55 0.05 -0.04 0.00 0.00 0.00 175.10 176.15 1yaj s MET 136 N -0.38 1.48 -0.35 2.72 -1.94 0.46 -0.35 119.30 120.94 1yaj s MET 136 Ca 0.09 -1.83 -0.23 0.00 -1.71 0.00 0.00 55.69 52.02 1yaj s MET 136 Cb -0.12 -3.15 0.00 0.00 2.01 0.00 0.00 34.83 33.57 1yaj s MET 136 CO 0.02 -0.93 0.75 0.08 -0.01 0.00 0.00 175.02 174.93 1yaj s VAL 137 N 0.93 4.79 -0.15 -6.03 1.01 -0.08 -0.96 120.40 119.91 1yaj s VAL 137 Ca 0.10 0.90 -0.15 0.00 0.00 0.00 0.00 61.98 62.83 1yaj s VAL 137 Cb -0.19 -4.16 -0.05 0.00 0.00 0.00 0.00 36.38 31.99 1yaj s VAL 137 CO -0.09 -0.35 0.34 0.86 0.00 0.00 0.00 175.10 175.87 1yaj s TRP 138 N 2.96 3.48 -0.29 5.22 -0.11 0.34 -2.43 118.94 128.11 1yaj s TRP 138 Ca 0.30 0.68 -0.08 0.00 1.22 0.00 0.00 56.10 58.22 1yaj s TRP 138 Cb -0.14 -2.40 -0.00 0.00 -1.50 0.00 0.00 33.47 29.43 1yaj s TRP 138 CO 0.15 0.22 0.10 0.42 -4.62 0.00 0.00 176.95 173.22 1yaj s ILE 139 N 0.50 4.23 1.17 5.86 1.01 -0.82 -2.60 121.20 130.56 1yaj s ILE 139 Ca 0.19 -0.52 -0.16 0.00 0.00 0.00 0.00 60.65 60.16 1yaj s ILE 139 Cb -0.14 -3.14 0.27 0.00 0.01 0.00 0.00 42.46 39.47 1yaj s ILE 139 CO 0.06 0.11 1.05 -1.38 0.00 0.00 0.00 174.94 174.78 1yaj s HIS 140 N 1.56 1.03 0.16 3.97 -3.43 -1.26 -3.66 115.29 113.66 1yaj s HIS 140 Ca 0.04 0.83 0.01 0.00 -0.80 0.00 0.00 55.06 55.13 1yaj s HIS 140 Cb -0.17 -3.21 0.01 0.00 -1.43 0.00 0.00 32.58 27.78 1yaj s HIS 140 CO 0.04 -3.79 0.05 0.41 -2.00 0.00 0.00 174.74 169.44 1yaj n GLY 141 N -0.14 3.60 0.00 -1.38 0.00 -1.26 -3.35 105.19 102.67 1yaj n GLY 141 Ca 0.08 -2.24 0.00 0.00 0.00 0.00 0.00 46.02 43.86 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 3.10 0.31 2.39 -0.02 0.00 -1.26 -4.25 105.19 105.46 1yaj n GLY 142 Ca -0.04 -0.16 -0.01 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.46 3.54 -0.02 0.00 -1.26 -0.19 105.19 106.80 1yaj n GLY 143 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.34 0.94 -0.06 0.99 4.77 -1.26 -4.67 117.00 115.37 1yaj n LEU 144 Ca 0.00 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.92 1yaj n LEU 144 Cb 0.46 -1.80 -0.09 0.00 -2.33 0.00 0.00 43.42 39.66 1yaj n LEU 144 CO 0.02 -0.66 -0.90 0.23 -1.33 0.00 0.00 177.39 174.75 1yaj n MET 145 N -0.88 1.83 -3.54 3.23 2.81 0.74 -0.66 117.12 120.64 1yaj n MET 145 Ca 0.00 0.01 -0.16 0.00 -1.81 0.00 0.00 57.70 55.74 1yaj n MET 145 Cb 0.19 -1.30 -0.05 0.00 -0.71 0.00 0.00 33.22 31.35 1yaj n MET 145 CO 0.00 0.00 0.00 1.33 1.51 0.00 0.00 175.97 178.81 1yaj n VAL 146 N -2.51 0.00 0.00 2.03 0.24 0.24 -4.38 118.33 113.94 1yaj n VAL 146 Ca -0.20 -1.56 0.00 0.00 -2.04 0.00 0.00 64.34 60.54 1yaj n VAL 146 Cb 0.87 0.61 0.00 0.00 -1.47 0.00 0.00 33.84 33.85 1yaj n VAL 146 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1yaj n GLY 147 N 0.12 1.72 3.81 7.63 0.00 -1.26 -4.20 105.19 113.00 1yaj n GLY 147 Ca -0.02 -2.04 -0.06 0.00 0.00 0.00 0.00 46.02 43.91 1yaj n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yaj s ALA 148 N -2.05 -1.39 -0.04 4.61 0.00 -1.26 -4.65 121.76 116.98 1yaj s ALA 148 Ca 0.00 -0.12 0.08 0.00 0.00 0.00 0.00 51.96 51.92 1yaj s ALA 148 Cb 0.00 0.77 -0.24 0.00 0.00 0.00 0.00 23.12 23.65 1yaj s ALA 148 CO 0.00 -1.03 0.68 0.00 0.00 0.00 0.00 175.76 175.41 1yaj h ALA 149 N 2.00 0.65 0.00 0.00 0.00 -1.91 -3.34 119.26 116.66 1yaj h ALA 149 Ca -0.21 -1.38 0.00 0.00 0.00 0.00 0.00 54.91 53.31 1yaj h ALA 149 Cb 1.24 0.46 0.00 0.00 0.00 0.00 0.00 17.79 19.49 1yaj h ALA 149 CO 0.24 1.48 0.00 0.43 0.00 0.00 0.00 179.25 181.41 1yaj n SER 150 N -3.17 0.31 -0.15 0.00 7.64 -1.26 -2.52 113.62 114.47 1yaj n SER 150 Ca -0.18 0.57 -0.10 0.00 1.01 0.00 0.00 58.87 60.18 1yaj n SER 150 Cb 1.04 -0.64 0.03 0.00 -1.01 0.00 0.00 64.21 63.64 1yaj n SER 150 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1yaj h THR 151 N 0.00 1.27 -3.36 0.44 2.02 -1.95 -3.40 112.91 107.92 1yaj h THR 151 Ca 0.00 -1.31 -0.73 0.00 0.77 0.00 0.00 66.41 65.13 1yaj h THR 151 Cb 0.33 1.07 -0.23 0.00 -1.74 0.00 0.00 68.15 67.57 1yaj h THR 151 CO 0.00 0.46 -0.37 -0.31 0.37 0.00 0.00 175.52 175.67 1yaj s TYR 152 N -4.74 3.25 0.00 3.16 1.51 -1.05 -3.97 117.35 115.52 1yaj s TYR 152 Ca -0.11 -0.94 -0.30 0.00 -1.01 0.00 0.00 57.07 54.71 1yaj s TYR 152 Cb 0.13 -3.02 -0.05 0.00 -0.11 0.00 0.00 41.96 38.91 1yaj s TYR 152 CO 0.86 -0.76 1.26 0.34 -1.11 0.00 0.00 175.55 176.13 1yaj s ASP 153 N 2.35 7.00 0.04 2.29 3.68 -1.26 -4.92 116.67 125.85 1yaj s ASP 153 Ca 0.04 1.97 0.25 0.00 2.13 0.00 0.00 52.55 56.94 1yaj s ASP 153 Cb -0.23 -2.57 0.53 0.00 -1.45 0.00 0.00 42.92 39.20 1yaj s ASP 153 CO 0.07 -0.59 1.44 0.61 0.13 0.00 0.00 175.17 176.83 1yaj n GLY 154 N 3.40 -1.33 0.34 2.66 0.00 -1.26 -4.55 105.19 104.46 1yaj n GLY 154 Ca 0.11 -0.29 -0.03 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.69 -0.64 0.18 0.99 7.94 -1.26 -1.14 117.00 121.38 1yaj n LEU 155 Ca 0.05 1.54 -0.07 0.00 -1.11 0.00 0.00 56.01 56.42 1yaj n LEU 155 Cb 0.37 -0.32 -0.03 0.00 0.53 0.00 0.00 43.42 43.96 1yaj n LEU 155 CO 0.35 -1.36 0.44 0.00 -1.11 0.00 0.00 177.39 175.70 1yaj h ALA 156 N 1.07 -0.97 -0.87 1.96 0.00 -1.81 -2.04 119.26 116.59 1yaj h ALA 156 Ca 0.27 -0.10 0.16 0.00 0.00 0.00 0.00 54.91 55.24 1yaj h ALA 156 Cb 0.49 0.18 -0.16 0.00 0.00 0.00 0.00 17.79 18.31 1yaj h ALA 156 CO -0.86 -0.93 -0.29 1.25 0.00 0.00 0.00 179.25 178.41 1yaj h LEU 157 N -0.52 -1.08 0.19 0.00 5.85 -1.67 0.28 115.31 118.37 1yaj h LEU 157 Ca -0.05 0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.94 1yaj h LEU 157 Cb 0.35 0.62 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 1yaj h LEU 157 CO 0.08 -0.29 -0.17 0.00 -0.34 0.00 0.00 178.44 177.72 1yaj h ALA 158 N 1.57 -0.92 -0.06 1.25 0.00 -1.18 0.45 119.26 120.38 1yaj h ALA 158 Ca 0.37 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.23 1yaj h ALA 158 Cb 0.62 0.38 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 1yaj h ALA 158 CO -0.90 -0.92 -0.31 0.00 0.00 0.00 0.00 179.25 177.12 1yaj h ALA 159 N -1.52 -0.71 -0.51 0.00 0.00 -0.69 0.48 119.26 116.32 1yaj h ALA 159 Ca -0.02 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 54.94 1yaj h ALA 159 Cb 0.30 0.81 -0.10 0.00 0.00 0.00 0.00 17.79 18.79 1yaj h ALA 159 CO -0.01 -0.82 -0.33 0.45 0.00 0.00 0.00 179.25 178.55 1yaj h HIS 160 N -0.34 -0.90 -0.71 0.00 -0.00 -1.00 -2.60 115.15 109.59 1yaj h HIS 160 Ca 0.02 0.07 0.00 0.00 -0.00 0.00 0.00 60.37 60.45 1yaj h HIS 160 Cb 0.39 0.47 0.00 0.00 -0.00 0.00 0.00 27.41 28.27 1yaj h HIS 160 CO -0.51 -0.38 0.00 0.39 -0.00 0.00 0.00 177.93 177.43 1yaj n GLU 161 N -5.43 2.99 -3.34 2.45 -0.58 0.15 -5.00 120.64 111.88 1yaj n GLU 161 Ca 0.03 -2.72 -0.15 0.00 -0.42 0.00 0.00 57.16 53.90 1yaj n GLU 161 Cb 0.35 -1.65 0.01 0.00 -0.57 0.00 0.00 31.44 29.57 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 1.51 -6.50 -3.69 1.62 4.05 0.17 -4.99 115.26 107.43 1yaj n ASN 162 Ca 0.25 -0.31 -0.10 0.00 0.45 0.00 0.00 54.58 54.87 1yaj n ASN 162 Cb 0.69 -3.58 -0.04 0.00 1.23 0.00 0.00 39.78 38.08 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 -2.74 0.04 -0.19 3.44 -7.23 -1.15 -4.69 120.40 107.88 1yaj s VAL 163 Ca 0.09 -0.68 -0.14 0.00 -1.81 0.00 0.00 61.98 59.43 1yaj s VAL 163 Cb -0.02 -1.40 -0.04 0.00 0.56 0.00 0.00 36.38 35.48 1yaj s VAL 163 CO 0.82 -0.19 0.32 0.68 -0.31 0.00 0.00 175.10 176.42 1yaj s VAL 164 N -3.84 5.27 -0.14 1.32 -7.23 -0.76 -4.28 120.40 110.73 1yaj s VAL 164 Ca 0.07 0.57 -0.04 0.00 -1.81 0.00 0.00 61.98 60.77 1yaj s VAL 164 Cb 0.00 -3.66 -0.03 0.00 0.56 0.00 0.00 36.38 33.26 1yaj s VAL 164 CO -0.07 0.33 -0.01 -0.69 -0.31 0.00 0.00 175.10 174.34 1yaj s VAL 165 N 0.90 4.12 -0.18 1.32 1.01 -0.88 -0.40 120.40 126.28 1yaj s VAL 165 Ca 0.16 -0.29 -0.00 0.00 0.00 0.00 0.00 61.98 61.85 1yaj s VAL 165 Cb -0.14 -2.79 0.05 0.00 0.00 0.00 0.00 36.38 33.49 1yaj s VAL 165 CO 0.06 0.52 -0.05 -0.69 0.00 0.00 0.00 175.10 174.93 1yaj s VAL 166 N 0.04 1.19 -0.21 2.92 1.01 -0.13 -1.41 120.40 123.81 1yaj s VAL 166 Ca 0.01 -0.76 -0.11 0.00 0.00 0.00 0.00 61.98 61.12 1yaj s VAL 166 Cb -0.13 -1.40 -0.05 0.00 0.00 0.00 0.00 36.38 34.80 1yaj s VAL 166 CO 0.02 0.07 0.20 0.42 0.00 0.00 0.00 175.10 175.81 1yaj s THR 167 N 1.58 5.35 0.27 3.92 -4.23 -0.85 0.13 115.64 121.80 1yaj s THR 167 Ca -0.01 0.30 0.11 0.00 -1.18 0.00 0.00 61.69 60.92 1yaj s THR 167 Cb -0.16 -3.54 -0.05 0.00 1.34 0.00 0.00 72.50 70.09 1yaj s THR 167 CO -0.08 0.37 -0.17 0.27 -0.54 0.00 0.00 174.62 174.47 1yaj s ILE 168 N 0.79 2.63 0.02 2.99 -4.36 -1.07 -0.61 121.20 121.60 1yaj s ILE 168 Ca 0.10 -2.28 0.09 0.00 -0.26 0.00 0.00 60.65 58.30 1yaj s ILE 168 Cb -0.13 -2.37 -0.03 0.00 1.25 0.00 0.00 42.46 41.18 1yaj s ILE 168 CO 0.03 -0.36 -0.25 -1.10 0.24 0.00 0.00 174.94 173.49 1yaj s GLN 169 N -3.44 1.93 0.20 0.37 -0.21 -1.08 -4.40 119.66 113.04 1yaj s GLN 169 Ca 0.29 -1.04 0.04 0.00 0.02 0.00 0.00 55.36 54.67 1yaj s GLN 169 Cb -0.06 -2.03 -0.05 0.00 1.00 0.00 0.00 33.01 31.88 1yaj s GLN 169 CO 0.15 0.53 -0.04 1.52 -2.12 0.00 0.00 175.29 175.34 1yaj s TYR 170 N -0.76 1.43 0.31 0.91 1.13 -1.26 -4.47 117.35 114.65 1yaj s TYR 170 Ca 0.12 -0.88 -0.29 0.00 -1.41 0.00 0.00 57.07 54.61 1yaj s TYR 170 Cb -0.10 -0.80 -0.10 0.00 -1.10 0.00 0.00 41.96 39.86 1yaj s TYR 170 CO 0.01 -0.01 1.42 1.03 -2.51 0.00 0.00 175.55 175.49 1yaj s ARG 171 N -3.83 4.25 0.42 -3.49 0.52 -1.26 -4.82 118.95 110.73 1yaj s ARG 171 Ca 0.24 2.36 0.07 0.00 -0.52 0.00 0.00 55.73 57.88 1yaj s ARG 171 Cb 0.05 -3.05 -0.07 0.00 0.52 0.00 0.00 34.95 32.39 1yaj s ARG 171 CO 0.06 -0.38 0.05 -0.51 0.02 0.00 0.00 175.30 174.53 1yaj s LEU 172 N -1.31 2.90 0.00 2.53 1.43 -1.26 -4.20 118.68 118.77 1yaj s LEU 172 Ca 0.54 -1.32 0.00 0.00 -1.03 0.00 0.00 54.13 52.32 1yaj s LEU 172 Cb -0.43 -1.01 0.00 0.00 0.03 0.00 0.00 46.19 44.78 1yaj s LEU 172 CO 0.52 -0.50 0.00 0.61 0.23 0.00 0.00 176.35 177.21 1yaj n GLY 173 N -1.05 0.85 0.40 -3.19 0.00 0.16 -0.42 105.19 101.94 1yaj n GLY 173 Ca -0.05 -0.66 -0.09 0.00 0.00 0.00 0.00 46.02 45.23 1yaj n GLY 173 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1yaj n ILE 174 N 0.00 -0.63 -0.33 -0.61 5.41 -1.26 0.88 119.36 122.83 1yaj n ILE 174 Ca 0.00 2.31 0.22 0.00 1.00 0.00 0.00 62.75 66.28 1yaj n ILE 174 Cb 0.00 -2.89 0.48 0.00 -0.71 0.00 0.00 39.64 36.52 1yaj n ILE 174 CO 0.00 0.00 0.00 -0.50 0.00 0.00 0.00 176.55 176.05 1yaj h TRP 175 N 0.00 0.73 0.00 1.39 6.55 -1.89 -0.87 115.95 121.86 1yaj h TRP 175 Ca 0.19 0.03 -0.33 0.00 0.95 0.00 0.00 58.89 59.72 1yaj h TRP 175 Cb 0.43 -0.21 -0.06 0.00 -0.86 0.00 0.00 29.16 28.45 1yaj h TRP 175 CO -0.96 0.07 -2.09 0.41 -1.05 0.00 0.00 178.44 174.82 1yaj n GLY 176 N -1.44 -1.00 0.89 1.49 0.00 0.19 -4.58 105.19 100.74 1yaj n GLY 176 Ca 0.25 -0.21 0.03 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.87 0.00 -2.24 1.61 3.72 0.25 -0.30 117.46 117.64 1yaj n PHE 177 Ca -0.26 -0.45 -0.43 0.00 -0.05 0.00 0.00 57.45 56.26 1yaj n PHE 177 Cb 1.10 -0.12 -0.02 0.00 -0.94 0.00 0.00 39.48 39.50 1yaj n PHE 177 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 176.76 176.83 1yaj s PHE 178 N -0.59 2.35 0.03 1.38 2.19 -0.36 -4.32 117.98 118.67 1yaj s PHE 178 Ca 0.21 0.67 0.07 0.00 0.33 0.00 0.00 56.93 58.22 1yaj s PHE 178 Cb 0.23 -3.92 -0.02 0.00 -1.31 0.00 0.00 43.02 37.99 1yaj s PHE 178 CO -0.08 -2.46 -0.22 0.45 1.83 0.00 0.00 175.22 174.75 1yaj s SER 179 N 3.53 2.57 0.00 6.13 0.15 -1.26 -4.36 113.70 120.45 1yaj s SER 179 Ca 0.65 -0.49 0.21 0.00 0.70 0.00 0.00 55.95 57.02 1yaj s SER 179 Cb -0.22 -0.24 -0.04 0.00 -1.71 0.00 0.00 66.02 63.81 1yaj s SER 179 CO 0.26 0.20 1.02 0.35 1.20 0.00 0.00 173.24 176.27 1yaj n THR 180 N 2.04 0.00 -0.55 6.45 -2.24 -0.62 -4.32 114.28 115.05 1yaj n THR 180 Ca -0.17 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 1yaj n THR 180 Cb 0.53 1.21 0.00 0.00 -2.10 0.00 0.00 70.33 69.97 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 1.39 0.72 0.66 3.38 0.00 -1.26 -4.42 105.19 105.66 1yaj n GLY 181 Ca 0.08 -0.06 -0.02 0.00 0.00 0.00 0.00 46.02 46.02 1yaj n GLY 181 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1yaj n ASP 182 N 0.11 -0.36 0.28 1.61 3.85 -1.26 -4.96 116.55 115.82 1yaj n ASP 182 Ca 0.00 -1.31 0.19 0.00 -0.71 0.00 0.00 54.79 52.96 1yaj n ASP 182 Cb 0.00 0.62 0.96 0.00 -1.35 0.00 0.00 41.12 41.35 1yaj n ASP 182 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.20 177.24 1yaj h GLU 183 N 0.00 0.00 0.00 0.11 9.09 -1.96 -0.55 114.58 121.28 1yaj h GLU 183 Ca -0.06 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.35 1yaj h GLU 183 Cb 0.22 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.32 1yaj h GLU 183 CO 0.07 0.00 0.00 0.72 0.05 0.00 0.00 179.01 179.85 1yaj n HIS 184 N -2.84 0.00 0.00 2.06 8.25 -1.26 -4.43 115.22 117.00 1yaj n HIS 184 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1yaj n HIS 184 Cb 0.10 -0.40 0.00 0.00 1.12 0.00 0.00 29.99 30.81 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 -1.40 0.00 -0.22 0.41 2.88 -0.79 -4.84 113.62 109.65 1yaj n SER 185 Ca 0.09 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.53 1yaj n SER 185 Cb 0.25 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.65 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 -0.22 0.00 -1.46 3.08 -1.34 -1.65 114.38 112.79 1yaj h ARG 186 Ca 0.00 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1yaj h ARG 186 Cb 0.00 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1yaj h ARG 186 CO 0.00 -0.15 0.00 0.41 -1.07 0.00 0.00 179.97 179.16 1yaj n GLY 187 N -1.38 0.10 2.44 0.04 0.00 -1.26 -4.46 105.19 100.66 1yaj n GLY 187 Ca 0.01 -2.29 -0.19 0.00 0.00 0.00 0.00 46.02 43.55 1yaj n GLY 187 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1yaj n ASN 188 N 0.00 -5.34 -0.26 1.61 3.02 -1.25 -4.81 115.26 108.23 1yaj n ASN 188 Ca 0.00 0.19 0.22 0.00 -0.03 0.00 0.00 54.58 54.96 1yaj n ASN 188 Cb 0.00 -4.44 0.55 0.00 -0.61 0.00 0.00 39.78 35.28 1yaj n ASN 188 CO 0.00 0.00 0.00 -0.50 -2.62 0.00 0.00 177.26 174.14 1yaj h TRP 189 N 0.00 0.49 -0.42 3.10 -0.00 -1.23 0.13 115.95 118.02 1yaj h TRP 189 Ca -0.42 0.02 -0.12 0.00 -0.00 0.00 0.00 58.89 58.37 1yaj h TRP 189 Cb 1.28 -0.15 -0.01 0.00 -0.00 0.00 0.00 29.16 30.29 1yaj h TRP 189 CO 0.51 0.10 -0.19 0.78 -0.00 0.00 0.00 178.44 179.64 1yaj h GLY 190 N 0.34 0.94 1.61 1.49 0.00 -0.82 -2.25 103.07 104.37 1yaj h GLY 190 Ca 0.50 -0.84 -0.09 0.00 0.00 0.00 0.00 47.33 46.90 1yaj h GLY 190 CO -0.18 0.76 -0.26 0.45 0.00 0.00 0.00 176.54 177.32 1yaj h HIS 191 N 0.69 0.51 0.04 5.60 3.86 -1.08 -1.78 115.15 122.99 1yaj h HIS 191 Ca 0.09 -0.11 -0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1yaj h HIS 191 Cb 0.75 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 29.10 1yaj h HIS 191 CO 0.06 0.68 -0.02 -0.07 0.86 0.00 0.00 177.93 179.43 1yaj h LEU 192 N 0.40 -0.05 -1.17 2.43 3.38 -0.89 -1.34 115.31 118.07 1yaj h LEU 192 Ca 0.06 -0.09 0.16 0.00 0.09 0.00 0.00 57.88 58.10 1yaj h LEU 192 Cb 0.67 0.01 -0.08 0.00 0.09 0.00 0.00 40.66 41.34 1yaj h LEU 192 CO 0.05 0.06 0.61 0.44 0.09 0.00 0.00 178.44 179.69 1yaj h ASP 193 N -0.15 0.72 0.61 -0.43 3.32 -1.06 1.04 116.42 120.48 1yaj h ASP 193 Ca -0.01 0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.07 1yaj h ASP 193 Cb 0.14 -0.08 0.01 0.00 0.22 0.00 0.00 39.33 39.62 1yaj h ASP 193 CO 0.01 0.32 -0.29 1.56 -1.72 0.00 0.00 179.24 179.12 1yaj h GLN 194 N 0.74 -0.79 -0.90 3.56 4.20 -0.73 0.39 115.11 121.57 1yaj h GLN 194 Ca 0.51 0.05 0.04 0.00 0.06 0.00 0.00 58.65 59.31 1yaj h GLN 194 Cb 0.80 0.18 -0.05 0.00 0.30 0.00 0.00 27.48 28.71 1yaj h GLN 194 CO -0.27 -0.52 0.59 0.28 -0.67 0.00 0.00 178.83 178.24 1yaj h VAL 195 N -0.85 1.12 -0.57 -0.54 2.07 0.08 0.29 116.25 117.85 1yaj h VAL 195 Ca -0.08 -0.38 0.14 0.00 0.82 0.00 0.00 66.70 67.20 1yaj h VAL 195 Cb 0.64 -0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.32 1yaj h VAL 195 CO 0.14 0.20 0.40 0.00 0.02 0.00 0.00 177.57 178.33 1yaj h ALA 196 N 1.49 2.35 0.07 1.67 0.00 0.19 0.28 119.26 125.31 1yaj h ALA 196 Ca 0.37 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 55.06 1yaj h ALA 196 Cb 0.07 0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.89 1yaj h ALA 196 CO -0.12 -0.51 -0.85 0.00 0.00 0.00 0.00 179.25 177.77 1yaj h ALA 197 N 1.72 0.01 -0.59 0.00 0.00 0.11 -2.93 119.26 117.58 1yaj h ALA 197 Ca 0.27 -0.66 0.07 0.00 0.00 0.00 0.00 54.91 54.59 1yaj h ALA 197 Cb 0.90 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.70 1yaj h ALA 197 CO -0.04 0.46 0.28 -0.07 0.00 0.00 0.00 179.25 179.88 1yaj h LEU 198 N -0.05 0.36 -2.21 0.00 3.38 -0.26 0.29 115.31 116.82 1yaj h LEU 198 Ca -0.13 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1yaj h LEU 198 Cb 1.58 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 42.32 1yaj h LEU 198 CO 0.16 0.23 -0.06 0.03 0.09 0.00 0.00 178.44 178.89 1yaj h ARG 199 N 0.51 0.00 0.01 1.13 3.08 -1.18 0.35 114.38 118.27 1yaj h ARG 199 Ca 0.28 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 60.07 1yaj h ARG 199 Cb 0.26 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.33 1yaj h ARG 199 CO -0.23 0.06 -1.04 2.35 -1.07 0.00 0.00 179.97 180.04 1yaj h TRP 200 N 0.00 0.97 -0.56 3.04 7.01 -0.33 -2.86 115.95 123.22 1yaj h TRP 200 Ca -0.00 -0.53 -0.09 0.00 2.11 0.00 0.00 58.89 60.37 1yaj h TRP 200 Cb 0.20 -0.11 -0.02 0.00 -2.10 0.00 0.00 29.16 27.14 1yaj h TRP 200 CO 0.00 1.37 -0.01 0.28 -2.79 0.00 0.00 178.44 177.28 1yaj h VAL 201 N 0.36 1.27 0.00 2.65 2.07 0.08 -1.09 116.25 121.59 1yaj h VAL 201 Ca -0.12 -1.14 -0.06 0.00 0.82 0.00 0.00 66.70 66.19 1yaj h VAL 201 Cb 1.69 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 32.34 1yaj h VAL 201 CO 0.20 0.41 -0.31 -0.61 0.02 0.00 0.00 177.57 177.28 1yaj h GLN 202 N 0.88 0.00 -0.42 1.57 4.15 -1.01 0.15 115.11 120.42 1yaj h GLN 202 Ca 0.16 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.58 1yaj h GLN 202 Cb 0.56 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.25 1yaj h GLN 202 CO 0.03 0.31 0.00 -0.25 -1.93 0.00 0.00 178.83 176.99 1yaj n ASP 203 N -4.16 3.23 0.00 -0.69 8.00 -1.08 -4.75 116.55 117.10 1yaj n ASP 203 Ca -0.02 -1.93 0.00 0.00 0.71 0.00 0.00 54.79 53.55 1yaj n ASP 203 Cb 0.35 -0.28 0.00 0.00 -0.02 0.00 0.00 41.12 41.18 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 1.10 0.00 -0.09 -2.24 3.02 -0.43 -4.64 115.26 111.98 1yaj n ASN 204 Ca 0.16 0.00 0.25 0.00 -0.03 0.00 0.00 54.58 54.97 1yaj n ASN 204 Cb 0.51 0.00 0.56 0.00 -0.61 0.00 0.00 39.78 40.24 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 -0.20 2.41 6.09 -1.09 0.29 117.51 125.14 1yaj h ILE 205 Ca 0.00 0.00 0.06 0.00 -1.37 0.00 0.00 64.86 63.55 1yaj h ILE 205 Cb 0.00 0.25 -0.01 0.00 0.47 0.00 0.00 36.82 37.54 1yaj h ILE 205 CO 0.00 0.00 0.23 0.00 -3.07 0.00 0.00 178.15 175.31 1yaj h ALA 206 N 0.90 1.82 0.00 0.18 0.00 -1.74 -0.67 119.26 119.75 1yaj h ALA 206 Ca 0.37 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1yaj h ALA 206 Cb 2.21 0.02 0.00 0.00 0.00 0.00 0.00 17.79 20.01 1yaj h ALA 206 CO -0.00 -0.33 -0.12 0.43 0.00 0.00 0.00 179.25 179.22 1yaj n SER 207 N -3.76 0.80 -1.50 0.00 7.64 0.10 -3.34 113.62 113.57 1yaj n SER 207 Ca 0.02 0.49 -0.10 0.00 1.01 0.00 0.00 58.87 60.29 1yaj n SER 207 Cb 0.35 -0.62 0.20 0.00 -1.01 0.00 0.00 64.21 63.13 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 -2.24 1.70 -2.05 1.43 3.01 -0.33 -4.80 117.46 114.17 1yaj n PHE 208 Ca 0.05 -1.67 -0.10 0.00 1.01 0.00 0.00 57.45 56.74 1yaj n PHE 208 Cb 0.43 -0.63 -0.01 0.00 -0.01 0.00 0.00 39.48 39.26 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 -1.11 0.14 3.61 1.37 0.00 -1.21 -4.77 105.19 103.22 1yaj n GLY 209 Ca 0.41 -0.47 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.59 1.78 -0.60 -0.02 0.00 -0.74 -1.60 107.32 103.55 1yaj s GLY 210 Ca 0.00 -1.03 -0.21 0.00 0.00 0.00 0.00 44.72 43.48 1yaj s GLY 210 CO 0.00 -0.90 0.83 0.21 0.00 0.00 0.00 173.10 173.24 1yaj s ASN 211 N -1.52 6.21 0.00 1.64 2.47 -0.17 -3.33 114.94 120.24 1yaj s ASN 211 Ca 0.18 -1.00 0.00 0.00 0.42 0.00 0.00 52.86 52.46 1yaj s ASN 211 Cb -0.11 -2.37 0.00 0.00 -1.45 0.00 0.00 41.25 37.32 1yaj s ASN 211 CO 0.09 -1.23 0.00 -0.81 -3.72 0.00 0.00 177.10 171.43 1yaj n PRO 212 N 7.05 0.00 -0.10 0.43 -0.04 -1.26 -0.88 135.00 140.20 1yaj n PRO 212 Ca -0.05 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.46 1yaj n PRO 212 Cb 0.45 -1.00 0.10 0.00 -0.04 0.00 0.00 33.50 33.01 1yaj n PRO 212 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1yaj n GLY 213 N -0.43 1.44 2.61 0.55 0.00 -1.26 -4.64 105.19 103.46 1yaj n GLY 213 Ca 0.00 -0.33 -0.10 0.00 0.00 0.00 0.00 46.02 45.59 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 0.51 0.85 -4.65 1.61 2.88 -0.06 -4.89 113.62 109.88 1yaj n SER 214 Ca 0.09 -2.73 -0.42 0.00 -1.33 0.00 0.00 58.87 54.48 1yaj n SER 214 Cb 0.35 -0.29 -0.04 0.00 -0.75 0.00 0.00 64.21 63.48 1yaj n SER 214 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1yaj s VAL 215 N -2.54 4.83 -0.15 2.46 1.01 -1.26 -1.80 120.40 122.96 1yaj s VAL 215 Ca 0.28 1.60 -0.01 0.00 0.00 0.00 0.00 61.98 63.84 1yaj s VAL 215 Cb 0.44 -4.13 -0.01 0.00 0.00 0.00 0.00 36.38 32.68 1yaj s VAL 215 CO 0.01 -0.07 -0.11 -0.89 0.00 0.00 0.00 175.10 174.04 1yaj s THR 216 N 2.81 3.14 -0.09 3.92 2.01 0.52 0.08 115.64 128.03 1yaj s THR 216 Ca 0.36 -0.62 -0.03 0.00 0.31 0.00 0.00 61.69 61.71 1yaj s THR 216 Cb -0.15 -2.34 -0.03 0.00 0.01 0.00 0.00 72.50 69.98 1yaj s THR 216 CO 0.08 0.51 0.02 0.27 -0.69 0.00 0.00 174.62 174.80 1yaj s ILE 217 N 0.58 4.45 -0.14 1.82 -4.36 0.37 -0.91 121.20 123.01 1yaj s ILE 217 Ca -0.07 -0.19 -0.07 0.00 -0.26 0.00 0.00 60.65 60.05 1yaj s ILE 217 Cb -0.15 -2.88 0.05 0.00 1.25 0.00 0.00 42.46 40.73 1yaj s ILE 217 CO 0.03 0.60 0.34 0.72 0.24 0.00 0.00 174.94 176.87 1yaj s PHE 218 N -0.84 -0.49 0.41 1.37 -0.71 -1.02 -0.36 117.98 116.34 1yaj s PHE 218 Ca 0.13 1.08 0.04 0.00 -1.04 0.00 0.00 56.93 57.13 1yaj s PHE 218 Cb -0.11 0.17 -0.02 0.00 -1.21 0.00 0.00 43.02 41.84 1yaj s PHE 218 CO 0.02 -0.30 0.12 0.20 -1.34 0.00 0.00 175.22 173.92 1yaj s GLY 219 N 1.40 2.62 0.05 1.99 0.00 -0.83 -1.94 107.32 110.62 1yaj s GLY 219 Ca -0.09 -1.21 0.01 0.00 0.00 0.00 0.00 44.72 43.43 1yaj s GLY 219 CO -0.11 -1.85 -0.06 1.85 0.00 0.00 0.00 173.10 172.93 1yaj s GLU 220 N -3.72 0.57 1.39 2.90 -6.30 -1.24 -1.51 118.70 110.80 1yaj s GLU 220 Ca 0.23 -0.91 0.00 0.00 -2.50 0.00 0.00 54.97 51.79 1yaj s GLU 220 Cb 0.03 -0.17 0.00 0.00 0.00 0.00 0.00 34.13 33.99 1yaj s GLU 220 CO 0.14 0.01 0.00 0.45 0.02 0.00 0.00 175.26 175.87 1yaj n SER 221 N 1.01 0.00 -0.36 -1.70 2.88 -0.41 0.10 113.62 115.15 1yaj n SER 221 Ca -0.20 0.00 0.33 0.00 -1.33 0.00 0.00 58.87 57.67 1yaj n SER 221 Cb 0.57 0.00 0.68 0.00 -0.75 0.00 0.00 64.21 64.71 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 -0.18 2.89 -0.00 -1.46 0.00 -1.88 1.44 119.26 120.07 1yaj h ALA 222 Ca 0.00 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 1yaj h ALA 222 Cb 0.00 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1yaj h ALA 222 CO 0.00 -1.28 -0.73 0.78 0.00 0.00 0.00 179.25 178.02 1yaj h GLY 223 N 0.12 0.04 1.69 0.00 0.00 0.65 -2.36 103.07 103.21 1yaj h GLY 223 Ca 0.62 -0.07 -0.12 0.00 0.00 0.00 0.00 47.33 47.76 1yaj h GLY 223 CO -0.12 0.06 -0.43 -1.33 0.00 0.00 0.00 176.54 174.71 1yaj h GLY 224 N 2.08 0.37 0.50 4.60 0.00 0.40 -2.40 103.07 108.62 1yaj h GLY 224 Ca -0.01 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 46.93 1yaj h GLY 224 CO 0.10 0.33 -0.17 -2.09 0.00 0.00 0.00 176.54 174.72 1yaj h GLU 225 N 0.28 -0.45 -0.95 4.80 4.22 -0.96 -2.96 114.58 118.56 1yaj h GLU 225 Ca 0.02 0.03 0.18 0.00 0.08 0.00 0.00 59.36 59.67 1yaj h GLU 225 Cb 0.88 0.10 -0.08 0.00 0.50 0.00 0.00 28.75 30.15 1yaj h GLU 225 CO 0.07 -0.14 0.60 0.66 -2.18 0.00 0.00 179.01 178.02 1yaj h SER 226 N -0.97 0.66 -0.40 1.04 4.64 -1.48 0.92 113.55 117.95 1yaj h SER 226 Ca -0.05 0.06 0.01 0.00 -0.47 0.00 0.00 61.79 61.34 1yaj h SER 226 Cb 0.51 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.52 1yaj h SER 226 CO 0.08 0.28 0.26 0.58 -0.87 0.00 0.00 176.83 177.16 1yaj h VAL 227 N 0.67 1.08 -0.03 0.95 2.07 -1.44 0.18 116.25 119.73 1yaj h VAL 227 Ca 0.51 -0.17 -0.24 0.00 0.82 0.00 0.00 66.70 67.61 1yaj h VAL 227 Cb 0.90 0.53 0.01 0.00 -1.52 0.00 0.00 31.29 31.21 1yaj h VAL 227 CO -0.26 0.09 -0.95 -1.28 0.02 0.00 0.00 177.57 175.19 1yaj h SER 228 N 0.50 0.75 -0.68 0.57 0.87 0.90 -3.13 113.55 113.34 1yaj h SER 228 Ca 0.15 -0.58 0.04 0.00 -1.23 0.00 0.00 61.79 60.17 1yaj h SER 228 Cb -0.01 -0.23 -0.04 0.00 -0.44 0.00 0.00 62.40 61.68 1yaj h SER 228 CO -0.03 1.37 0.45 0.58 -0.53 0.00 0.00 176.83 178.67 1yaj h VAL 229 N 0.35 1.09 -0.19 2.23 2.07 0.19 -0.81 116.25 121.17 1yaj h VAL 229 Ca -0.09 -0.27 -0.10 0.00 0.82 0.00 0.00 66.70 67.05 1yaj h VAL 229 Cb 1.59 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 1yaj h VAL 229 CO 0.18 0.15 -0.30 -0.07 0.02 0.00 0.00 177.57 177.55 1yaj h LEU 230 N 0.80 0.39 -1.83 2.57 3.38 -0.90 -2.21 115.31 117.51 1yaj h LEU 230 Ca 0.27 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 1yaj h LEU 230 Cb 0.09 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 1yaj h LEU 230 CO -0.08 0.67 -0.14 0.58 0.09 0.00 0.00 178.44 179.56 1yaj h VAL 231 N 0.33 0.71 -0.00 1.22 2.07 -1.09 -2.30 116.25 117.19 1yaj h VAL 231 Ca 0.05 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 66.99 1yaj h VAL 231 Cb 0.69 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 1yaj h VAL 231 CO 0.05 0.14 -0.86 0.18 0.02 0.00 0.00 177.57 177.10 1yaj n LEU 232 N -3.80 0.89 -4.77 2.57 4.77 -1.02 -4.95 117.00 110.71 1yaj n LEU 232 Ca -0.02 -0.38 -0.39 0.00 -0.03 0.00 0.00 56.01 55.20 1yaj n LEU 232 Cb 0.25 -0.06 -0.06 0.00 -2.33 0.00 0.00 43.42 41.21 1yaj n LEU 232 CO 0.32 0.22 0.26 -0.55 -1.33 0.00 0.00 177.39 176.31 1yaj s SER 233 N -2.99 6.94 0.26 -1.43 0.15 -0.86 -4.87 113.70 110.90 1yaj s SER 233 Ca 0.09 1.11 0.01 0.00 0.70 0.00 0.00 55.95 57.87 1yaj s SER 233 Cb 0.16 -2.35 0.36 0.00 -1.71 0.00 0.00 66.02 62.49 1yaj s SER 233 CO 0.82 0.12 1.69 -0.65 1.20 0.00 0.00 173.24 176.42 1yaj h PRO 234 N 5.60 0.52 0.00 5.44 0.11 -1.82 -2.89 132.00 138.95 1yaj h PRO 234 Ca -0.46 -0.21 -0.02 0.00 0.11 0.00 0.00 66.00 65.43 1yaj h PRO 234 Cb 1.20 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 1yaj h PRO 234 CO 0.69 0.74 -0.10 -0.07 -0.21 0.00 0.00 178.00 179.05 1yaj h LEU 235 N 0.45 0.00 0.00 2.35 3.38 -1.82 -2.76 115.31 116.91 1yaj h LEU 235 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1yaj h LEU 235 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1yaj h LEU 235 CO 0.05 0.10 -0.80 0.00 0.09 0.00 0.00 178.44 177.88 1yaj n ALA 236 N -2.30 3.61 -1.69 1.53 0.00 -1.10 -4.93 120.51 115.63 1yaj n ALA 236 Ca -0.02 -0.40 -0.44 0.00 0.00 0.00 0.00 53.44 52.58 1yaj n ALA 236 Cb 0.21 -1.01 -0.03 0.00 0.00 0.00 0.00 19.45 18.62 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 -1.75 2.33 -0.94 0.00 4.81 -1.04 -1.84 118.16 119.74 1yaj n LYS 237 Ca 0.04 0.84 0.00 0.00 -0.87 0.00 0.00 58.31 58.31 1yaj n LYS 237 Cb 0.39 -2.59 0.00 0.00 0.02 0.00 0.00 35.03 32.84 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 2.94 -2.81 -0.17 3.14 3.02 -1.26 -4.91 115.26 115.21 1yaj n ASN 238 Ca 0.14 0.00 0.06 0.00 -0.03 0.00 0.00 54.58 54.74 1yaj n ASN 238 Cb 0.32 -0.47 -0.02 0.00 -0.61 0.00 0.00 39.78 39.00 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 0.00 1.04 -3.60 3.41 4.77 -0.77 -5.00 117.00 116.85 1yaj n LEU 239 Ca 0.00 -0.67 -0.16 0.00 -0.03 0.00 0.00 56.01 55.15 1yaj n LEU 239 Cb 0.00 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.02 1yaj n LEU 239 CO 0.00 0.22 0.34 0.72 -1.33 0.00 0.00 177.39 177.34 1yaj s PHE 240 N -1.69 -0.60 -0.27 -1.77 -0.71 -1.26 -4.83 117.98 106.85 1yaj s PHE 240 Ca 0.08 1.20 0.03 0.00 -1.04 0.00 0.00 56.93 57.20 1yaj s PHE 240 Cb 0.09 0.31 0.07 0.00 -1.21 0.00 0.00 43.02 42.28 1yaj s PHE 240 CO 0.35 -0.48 0.98 0.72 -1.34 0.00 0.00 175.22 175.45 1yaj n HIS 241 N 1.60 0.10 -3.64 3.49 -0.00 0.11 -4.96 115.22 111.92 1yaj n HIS 241 Ca -0.18 -0.41 -0.10 0.00 -0.00 0.00 0.00 57.72 57.04 1yaj n HIS 241 Cb 0.56 -0.04 -0.07 0.00 -0.00 0.00 0.00 29.99 30.45 1yaj n HIS 241 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 1yaj s ARG 242 N -0.86 0.67 0.14 -0.41 0.52 -1.21 -4.38 118.95 113.42 1yaj s ARG 242 Ca 0.06 0.89 0.07 0.00 -0.52 0.00 0.00 55.73 56.23 1yaj s ARG 242 Cb 0.03 0.27 -0.04 0.00 0.52 0.00 0.00 34.95 35.73 1yaj s ARG 242 CO 0.04 -0.10 -0.15 0.00 0.02 0.00 0.00 175.30 175.11 1yaj s ALA 243 N 0.71 1.71 -0.09 2.13 0.00 -0.95 -0.48 121.76 124.80 1yaj s ALA 243 Ca -0.02 -1.40 -0.04 0.00 0.00 0.00 0.00 51.96 50.51 1yaj s ALA 243 Cb -0.05 -0.11 0.05 0.00 0.00 0.00 0.00 23.12 23.01 1yaj s ALA 243 CO -0.07 0.14 0.18 0.42 0.00 0.00 0.00 175.76 176.43 1yaj s ILE 244 N -2.20 -0.26 -0.31 0.00 1.01 0.51 -1.75 121.20 118.19 1yaj s ILE 244 Ca 0.13 0.32 -0.02 0.00 0.00 0.00 0.00 60.65 61.08 1yaj s ILE 244 Cb -0.05 -0.31 0.05 0.00 0.01 0.00 0.00 42.46 42.16 1yaj s ILE 244 CO 0.04 0.14 0.02 -0.44 0.00 0.00 0.00 174.94 174.70 1yaj s SER 245 N 2.19 4.94 -0.42 3.58 0.01 0.47 -1.96 113.70 122.51 1yaj s SER 245 Ca 0.01 -1.31 -0.16 0.00 1.31 0.00 0.00 55.95 55.80 1yaj s SER 245 Cb -0.12 -1.73 0.02 0.00 0.21 0.00 0.00 66.02 64.41 1yaj s SER 245 CO -0.06 -0.28 0.37 -1.61 0.41 0.00 0.00 173.24 172.06 1yaj s GLU 246 N 1.25 3.02 -1.16 12.44 2.02 -0.57 -1.71 118.70 134.01 1yaj s GLU 246 Ca -0.04 -0.93 -0.05 0.00 0.02 0.00 0.00 54.97 53.97 1yaj s GLU 246 Cb -0.20 -3.99 0.01 0.00 0.10 0.00 0.00 34.13 30.05 1yaj s GLU 246 CO -0.01 -0.82 1.00 0.43 0.02 0.00 0.00 175.26 175.88 1yaj n SER 247 N 5.37 -4.69 0.00 -0.19 7.64 0.13 -1.29 113.62 120.59 1yaj n SER 247 Ca -0.09 -0.50 0.00 0.00 1.01 0.00 0.00 58.87 59.29 1yaj n SER 247 Cb 0.47 -4.53 0.00 0.00 -1.01 0.00 0.00 64.21 59.14 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 -1.61 1.69 3.32 0.23 0.00 -1.26 -3.29 105.19 104.26 1yaj n GLY 248 Ca -0.07 0.17 -0.19 0.00 0.00 0.00 0.00 46.02 45.93 1yaj n GLY 248 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1yaj s VAL 249 N -0.40 0.00 0.29 1.61 -7.23 -1.26 -3.54 120.40 109.87 1yaj s VAL 249 Ca 0.00 -1.93 0.10 0.00 -1.81 0.00 0.00 61.98 58.34 1yaj s VAL 249 Cb 0.00 -2.53 0.01 0.00 0.56 0.00 0.00 36.38 34.41 1yaj s VAL 249 CO 0.00 0.00 1.66 0.00 -0.31 0.00 0.00 175.10 176.45 1yaj h ALA 250 N 2.12 1.07 0.00 1.32 0.00 -1.87 -2.86 119.26 119.03 1yaj h ALA 250 Ca -0.25 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.17 1yaj h ALA 250 Cb 1.23 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1yaj h ALA 250 CO 0.37 0.67 0.00 1.28 0.00 0.00 0.00 179.25 181.57 1yaj n LEU 251 N -3.91 0.00 -3.72 0.00 4.77 -1.26 -4.39 117.00 108.50 1yaj n LEU 251 Ca -0.02 0.24 -0.42 0.00 -0.03 0.00 0.00 56.01 55.79 1yaj n LEU 251 Cb 0.55 -0.24 -0.06 0.00 -2.33 0.00 0.00 43.42 41.34 1yaj n LEU 251 CO 0.42 -0.04 2.03 0.41 -1.33 0.00 0.00 177.39 178.87 1yaj n THR 252 N -1.24 1.75 -0.07 -5.08 -1.04 -1.08 -4.81 114.28 102.72 1yaj n THR 252 Ca 0.13 -1.56 -0.01 0.00 -2.04 0.00 0.00 64.05 60.57 1yaj n THR 252 Cb 0.18 -2.29 -0.01 0.00 -1.82 0.00 0.00 70.33 66.40 1yaj n THR 252 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1yaj n SER 253 N 8.26 -0.14 -0.24 8.00 7.64 -1.26 -2.09 113.62 133.79 1yaj n SER 253 Ca 0.49 0.29 0.06 0.00 1.01 0.00 0.00 58.87 60.71 1yaj n SER 253 Cb 0.41 -0.05 0.12 0.00 -1.01 0.00 0.00 64.21 63.68 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 -4.22 -0.28 0.22 0.44 3.14 -1.26 0.11 118.33 116.48 1yaj n VAL 254 Ca 0.01 1.50 0.03 0.00 -2.96 0.00 0.00 64.34 62.93 1yaj n VAL 254 Cb 0.05 -2.11 0.18 0.00 -1.06 0.00 0.00 33.84 30.89 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 -5.03 3.00 -3.52 6.55 4.77 -0.89 -4.67 117.00 117.21 1yaj n LEU 255 Ca 0.12 -1.52 -0.20 0.00 -0.03 0.00 0.00 56.01 54.39 1yaj n LEU 255 Cb 0.38 -0.56 -0.14 0.00 -2.33 0.00 0.00 43.42 40.77 1yaj n LEU 255 CO -0.07 0.42 -0.23 -0.69 -1.33 0.00 0.00 177.39 175.49 1yaj s VAL 256 N -1.76 -0.28 0.13 4.08 1.01 0.30 -2.69 120.40 121.19 1yaj s VAL 256 Ca 0.24 -0.11 -0.30 0.00 0.00 0.00 0.00 61.98 61.81 1yaj s VAL 256 Cb 0.18 -0.65 -0.06 0.00 0.00 0.00 0.00 36.38 35.85 1yaj s VAL 256 CO 0.07 -0.21 1.04 -0.54 0.00 0.00 0.00 175.10 175.46 1yaj s LYS 257 N 2.29 4.63 0.33 2.72 -0.14 -0.58 -4.84 119.74 124.16 1yaj s LYS 257 Ca 0.06 1.58 0.06 0.00 -1.36 0.00 0.00 55.97 56.31 1yaj s LYS 257 Cb -0.16 -3.34 -0.07 0.00 -1.68 0.00 0.00 37.83 32.59 1yaj s LYS 257 CO -0.11 0.12 -0.02 0.15 -0.76 0.00 0.00 175.35 174.73 1yaj s LYS 258 N -0.04 1.70 0.15 1.68 1.02 -1.26 -4.51 119.74 118.48 1yaj s LYS 258 Ca 0.49 -1.91 0.00 0.00 0.02 0.00 0.00 55.97 54.57 1yaj s LYS 258 Cb -0.26 -1.26 0.00 0.00 -0.52 0.00 0.00 37.83 35.79 1yaj s LYS 258 CO 0.32 -0.03 0.00 0.41 -0.92 0.00 0.00 175.35 175.13 1yaj n GLY 259 N -0.73 -1.76 3.68 -3.33 0.00 -1.26 -4.69 105.19 97.11 1yaj n GLY 259 Ca -0.04 -1.37 -0.51 0.00 0.00 0.00 0.00 46.02 44.09 1yaj n GLY 259 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1yaj n ASP 260 N -2.61 2.92 -0.98 1.61 -0.08 -1.26 -4.84 116.55 111.31 1yaj n ASP 260 Ca -0.00 1.03 0.10 0.00 -1.51 0.00 0.00 54.79 54.41 1yaj n ASP 260 Cb 0.26 -1.29 0.18 0.00 2.34 0.00 0.00 41.12 42.62 1yaj n ASP 260 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 1yaj n VAL 261 N 4.58 0.53 0.02 5.18 0.24 -1.26 -4.57 118.33 123.05 1yaj n VAL 261 Ca 0.23 -0.77 -0.11 0.00 -2.04 0.00 0.00 64.34 61.66 1yaj n VAL 261 Cb 0.23 0.92 -0.05 0.00 -1.47 0.00 0.00 33.84 33.47 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 3.73 -0.07 -0.83 7.34 1.63 -1.85 -2.82 116.57 123.69 1yaj h LYS 262 Ca 0.00 0.00 0.21 0.00 -0.85 0.00 0.00 60.65 60.01 1yaj h LYS 262 Cb 0.87 0.02 -0.13 0.00 -0.60 0.00 0.00 32.23 32.39 1yaj h LYS 262 CO 0.00 -0.05 0.21 -1.35 -3.45 0.00 0.00 179.45 174.81 1yaj h PRO 263 N -0.07 0.22 0.11 1.90 0.11 -1.94 0.23 132.00 132.56 1yaj h PRO 263 Ca 0.04 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.16 1yaj h PRO 263 Cb 0.13 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 31.16 1yaj h PRO 263 CO -0.10 0.15 -0.26 1.25 -0.21 0.00 0.00 178.00 178.83 1yaj h LEU 264 N 0.23 -0.75 -0.45 2.35 6.46 -1.83 -0.86 115.31 120.45 1yaj h LEU 264 Ca 0.50 0.09 0.09 0.00 -0.12 0.00 0.00 57.88 58.44 1yaj h LEU 264 Cb 0.96 0.29 -0.10 0.00 -0.73 0.00 0.00 40.66 41.08 1yaj h LEU 264 CO -0.61 -0.35 -0.28 0.00 -0.62 0.00 0.00 178.44 176.58 1yaj h ALA 265 N 0.27 -0.03 -0.83 1.25 0.00 -0.93 0.20 119.26 119.18 1yaj h ALA 265 Ca 0.03 0.14 0.07 0.00 0.00 0.00 0.00 54.91 55.15 1yaj h ALA 265 Cb 0.50 0.64 -0.06 0.00 0.00 0.00 0.00 17.79 18.88 1yaj h ALA 265 CO -0.16 -0.65 0.54 0.93 0.00 0.00 0.00 179.25 179.92 1yaj h GLU 266 N -0.19 0.85 0.00 0.00 5.08 -0.68 0.21 114.58 119.86 1yaj h GLU 266 Ca 0.20 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.45 1yaj h GLU 266 Cb 0.51 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1yaj h GLU 266 CO -0.56 0.56 -0.31 0.37 -1.00 0.00 0.00 179.01 178.08 1yaj h GLN 267 N 0.88 0.00 0.06 2.33 4.15 0.37 0.11 115.11 123.01 1yaj h GLN 267 Ca 0.37 0.00 -0.22 0.00 0.77 0.00 0.00 58.65 59.57 1yaj h GLN 267 Cb 0.29 0.00 0.02 0.00 0.21 0.00 0.00 27.48 28.00 1yaj h GLN 267 CO -0.14 0.31 -0.89 0.82 -1.93 0.00 0.00 178.83 177.00 1yaj h ILE 268 N 0.00 1.38 0.88 2.39 2.04 0.96 -2.88 117.51 122.28 1yaj h ILE 268 Ca -0.00 -2.28 -0.04 0.00 1.00 0.00 0.00 64.86 63.53 1yaj h ILE 268 Cb 1.06 2.68 0.01 0.00 -0.74 0.00 0.00 36.82 39.83 1yaj h ILE 268 CO 0.04 0.68 -0.42 0.00 0.00 0.00 0.00 178.15 178.45 1yaj h ALA 269 N 0.29 -1.19 -0.90 1.87 0.00 -0.55 -0.64 119.26 118.13 1yaj h ALA 269 Ca -0.13 -0.26 0.21 0.00 0.00 0.00 0.00 54.91 54.73 1yaj h ALA 269 Cb 1.60 0.46 -0.17 0.00 0.00 0.00 0.00 17.79 19.68 1yaj h ALA 269 CO 0.17 -1.11 -0.09 0.82 0.00 0.00 0.00 179.25 179.05 1yaj h ILE 270 N -1.30 0.13 -0.44 0.00 2.04 -0.88 0.13 117.51 117.19 1yaj h ILE 270 Ca -0.12 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.72 1yaj h ILE 270 Cb 0.90 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 1yaj h ILE 270 CO 0.20 0.01 0.22 0.74 0.00 0.00 0.00 178.15 179.31 1yaj h THR 271 N 0.03 1.18 0.00 -0.27 2.02 -1.36 -1.58 112.91 112.93 1yaj h THR 271 Ca 0.48 -0.48 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1yaj h THR 271 Cb 0.86 0.68 0.00 0.00 -1.74 0.00 0.00 68.15 67.95 1yaj h THR 271 CO -0.86 0.19 0.00 0.00 0.37 0.00 0.00 175.52 175.22 1yaj n ALA 272 N -2.28 1.65 -0.95 6.16 0.00 0.34 -4.85 120.51 120.58 1yaj n ALA 272 Ca 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1yaj n ALA 272 Cb 0.10 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.34 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 -0.13 1.07 3.92 0.00 0.00 -0.51 -5.02 105.19 104.51 1yaj n GLY 273 Ca 0.04 -0.48 -0.21 0.00 0.00 0.00 0.00 46.02 45.37 1yaj n GLY 273 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yaj s LYS 275 N -3.95 1.38 0.00 0.00 1.02 -1.26 -4.23 119.74 112.70 1yaj s LYS 275 Ca 0.35 0.39 0.02 0.00 0.02 0.00 0.00 55.97 56.75 1yaj s LYS 275 Cb -0.08 -1.86 0.04 0.00 -0.52 0.00 0.00 37.83 35.41 1yaj s LYS 275 CO 0.28 -2.06 0.97 0.25 -0.92 0.00 0.00 175.35 173.88 1yaj n THR 276 N -3.69 0.00 -0.21 2.17 -2.24 -1.26 -4.47 114.28 104.59 1yaj n THR 276 Ca 0.07 -0.09 -0.06 0.00 -2.27 0.00 0.00 64.05 61.70 1yaj n THR 276 Cb 0.58 0.50 -0.00 0.00 -2.10 0.00 0.00 70.33 69.32 1yaj n THR 276 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1yaj h THR 277 N 6.82 0.15 -4.55 4.28 2.02 -1.95 -3.44 112.91 116.24 1yaj h THR 277 Ca -0.03 0.00 -0.34 0.00 0.77 0.00 0.00 66.41 66.82 1yaj h THR 277 Cb 1.41 0.15 -0.12 0.00 -1.74 0.00 0.00 68.15 67.85 1yaj h THR 277 CO 0.01 0.00 -0.42 0.42 0.37 0.00 0.00 175.52 175.89 1yaj s THR 278 N -5.96 0.00 0.10 3.16 -4.23 -1.26 -5.04 115.64 102.41 1yaj s THR 278 Ca -0.14 -1.86 -0.18 0.00 -1.18 0.00 0.00 61.69 58.33 1yaj s THR 278 Cb 0.15 -2.52 -0.06 0.00 1.34 0.00 0.00 72.50 71.42 1yaj s THR 278 CO 0.69 0.00 1.60 -1.28 -0.54 0.00 0.00 174.62 175.09 1yaj h SER 279 N 2.26 0.44 0.16 3.99 0.87 -1.96 -2.18 113.55 117.13 1yaj h SER 279 Ca -0.29 -0.22 0.01 0.00 -1.23 0.00 0.00 61.79 60.06 1yaj h SER 279 Cb 1.24 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 63.07 1yaj h SER 279 CO 0.41 0.55 -0.18 0.00 -0.53 0.00 0.00 176.83 177.08 1yaj h ALA 280 N 0.91 -0.34 -0.93 6.23 0.00 -1.97 -1.18 119.26 121.97 1yaj h ALA 280 Ca 0.09 -0.05 0.15 0.00 0.00 0.00 0.00 54.91 55.10 1yaj h ALA 280 Cb 0.28 0.26 -0.09 0.00 0.00 0.00 0.00 17.79 18.23 1yaj h ALA 280 CO -0.00 -0.72 0.54 0.28 0.00 0.00 0.00 179.25 179.35 1yaj h VAL 281 N -0.38 0.79 0.58 0.00 2.07 -1.95 -0.43 116.25 116.94 1yaj h VAL 281 Ca 0.01 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 1yaj h VAL 281 Cb 0.36 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.07 1yaj h VAL 281 CO -0.05 0.14 -0.42 -0.03 0.02 0.00 0.00 177.57 177.23 1yaj h MET 282 N 0.78 -0.92 -0.66 1.57 4.05 -0.71 -1.29 114.93 117.76 1yaj h MET 282 Ca 0.50 0.06 0.04 0.00 -0.28 0.00 0.00 59.70 60.02 1yaj h MET 282 Cb 0.65 0.21 -0.05 0.00 -0.80 0.00 0.00 31.60 31.61 1yaj h MET 282 CO -0.33 -0.61 0.40 0.28 0.23 0.00 0.00 176.91 176.87 1yaj h VAL 283 N -0.96 1.05 -0.96 -5.77 2.07 -0.83 -2.29 116.25 108.56 1yaj h VAL 283 Ca -0.08 -0.26 0.02 0.00 0.82 0.00 0.00 66.70 67.20 1yaj h VAL 283 Cb 0.79 0.22 -0.05 0.00 -1.52 0.00 0.00 31.29 30.72 1yaj h VAL 283 CO 0.04 0.14 0.63 -0.74 0.02 0.00 0.00 177.57 177.66 1yaj h HIS 284 N 0.77 1.19 -0.28 1.57 -0.00 -1.05 -2.30 115.15 115.06 1yaj h HIS 284 Ca 0.27 0.03 -0.12 0.00 -0.00 0.00 0.00 60.37 60.55 1yaj h HIS 284 Cb 0.07 -0.40 -0.01 0.00 -0.00 0.00 0.00 27.41 27.06 1yaj h HIS 284 CO -0.06 0.72 -0.34 0.00 -0.00 0.00 0.00 177.93 178.25 1yaj h LEU 286 N 0.51 0.73 -2.00 0.00 3.38 -1.18 -2.71 115.31 114.04 1yaj h LEU 286 Ca 0.06 -0.43 0.21 0.00 0.09 0.00 0.00 57.88 57.81 1yaj h LEU 286 Cb 0.83 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 1yaj h LEU 286 CO 0.07 1.00 0.53 0.03 0.09 0.00 0.00 178.44 180.16 1yaj h ARG 287 N 0.47 0.00 -0.02 1.13 3.08 -1.31 0.55 114.38 118.27 1yaj h ARG 287 Ca 0.07 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.91 1yaj h ARG 287 Cb 0.74 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.79 1yaj h ARG 287 CO 0.06 0.00 -0.86 1.96 -1.07 0.00 0.00 179.97 180.06 1yaj h GLN 288 N 0.00 0.34 -7.05 0.04 1.08 -1.40 -3.46 115.11 104.66 1yaj h GLN 288 Ca 0.35 -0.34 -0.51 0.00 -1.45 0.00 0.00 58.65 56.70 1yaj h GLN 288 Cb 1.40 0.09 0.21 0.00 -0.05 0.00 0.00 27.48 29.13 1yaj h GLN 288 CO -0.00 1.01 -0.16 1.63 -0.95 0.00 0.00 178.83 180.36 1yaj n LYS 289 N -3.75 -0.61 -3.88 1.46 4.76 0.18 -5.02 118.16 111.31 1yaj n LYS 289 Ca -0.05 -0.13 -0.21 0.00 -2.87 0.00 0.00 58.31 55.06 1yaj n LYS 289 Cb 0.79 -2.13 -0.02 0.00 -1.84 0.00 0.00 35.03 31.82 1yaj n LYS 289 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1yaj s THR 290 N -2.51 4.62 0.35 -0.18 -4.23 -1.26 -4.93 115.64 107.50 1yaj s THR 290 Ca 0.63 -1.13 0.07 0.00 -1.18 0.00 0.00 61.69 60.08 1yaj s THR 290 Cb -0.22 -3.58 0.31 0.00 1.34 0.00 0.00 72.50 70.35 1yaj s THR 290 CO 0.63 -0.28 1.89 -0.08 -0.54 0.00 0.00 174.62 176.23 1yaj h GLU 291 N 1.19 0.72 -0.34 3.99 4.81 -1.98 0.32 114.58 123.31 1yaj h GLU 291 Ca -0.49 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 58.57 1yaj h GLU 291 Cb 1.24 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.45 1yaj h GLU 291 CO 0.59 0.48 -0.29 0.93 -0.73 0.00 0.00 179.01 179.99 1yaj h GLU 292 N 0.75 0.79 -0.23 1.92 3.07 -1.97 -0.48 114.58 118.42 1yaj h GLU 292 Ca 0.42 -0.40 -0.11 0.00 -0.50 0.00 0.00 59.36 58.78 1yaj h GLU 292 Cb 0.59 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.49 1yaj h GLU 292 CO -0.19 1.03 -0.31 0.93 -1.40 0.00 0.00 179.01 179.07 1yaj h GLU 293 N 0.57 0.48 0.00 2.33 5.08 -1.28 -0.20 114.58 121.56 1yaj h GLU 293 Ca 0.06 -0.20 -0.15 0.00 -1.00 0.00 0.00 59.36 58.07 1yaj h GLU 293 Cb 0.86 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.07 1yaj h GLU 293 CO 0.07 0.74 -0.71 -0.07 -1.00 0.00 0.00 179.01 178.04 1yaj h LEU 294 N 0.41 0.00 -0.52 1.33 3.38 -0.48 -2.24 115.31 117.20 1yaj h LEU 294 Ca 0.05 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.86 1yaj h LEU 294 Cb 0.75 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 1yaj h LEU 294 CO 0.06 0.69 -0.62 0.25 0.09 0.00 0.00 178.44 178.90 1yaj h LEU 295 N 0.00 0.48 -0.44 1.67 5.85 -0.77 0.92 115.31 123.02 1yaj h LEU 295 Ca -0.01 -0.28 -0.16 0.00 0.84 0.00 0.00 57.88 58.26 1yaj h LEU 295 Cb 1.53 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.40 1yaj h LEU 295 CO 0.09 0.98 -0.78 -0.08 -0.34 0.00 0.00 178.44 178.31 1yaj h GLU 296 N 0.31 0.01 -0.10 1.25 4.81 -1.04 -2.97 114.58 116.86 1yaj h GLU 296 Ca -0.01 -0.01 -0.18 0.00 -0.13 0.00 0.00 59.36 59.04 1yaj h GLU 296 Cb 1.17 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 1yaj h GLU 296 CO 0.11 0.78 -0.69 1.15 -0.73 0.00 0.00 179.01 179.63 1yaj h THR 297 N 0.00 1.37 -0.43 0.32 2.02 -1.11 -2.77 112.91 112.31 1yaj h THR 297 Ca -0.01 -2.06 -0.02 0.00 0.77 0.00 0.00 66.41 65.09 1yaj h THR 297 Cb 1.38 2.04 -0.02 0.00 -1.74 0.00 0.00 68.15 69.80 1yaj h THR 297 CO 0.10 0.62 0.19 0.74 0.37 0.00 0.00 175.52 177.54 1yaj h THR 298 N 0.30 1.16 -0.00 3.16 2.02 -0.71 -1.59 112.91 117.25 1yaj h THR 298 Ca -0.02 -0.47 0.00 0.00 0.77 0.00 0.00 66.41 66.69 1yaj h THR 298 Cb 1.25 0.63 0.00 0.00 -1.74 0.00 0.00 68.15 68.30 1yaj h THR 298 CO 0.12 0.19 -0.10 0.18 0.37 0.00 0.00 175.52 176.28 1yaj n LEU 299 N -4.38 0.15 -0.02 2.58 4.77 -1.13 -3.58 117.00 115.39 1yaj n LEU 299 Ca 0.03 0.30 -0.13 0.00 -0.03 0.00 0.00 56.01 56.18 1yaj n LEU 299 Cb 0.14 -0.37 -0.14 0.00 -2.33 0.00 0.00 43.42 40.72 1yaj n LEU 299 CO 0.37 0.03 -0.71 0.29 -1.33 0.00 0.00 177.39 176.04 1yaj n LYS 300 N -1.37 0.68 0.21 3.23 5.02 -0.64 -4.05 118.16 121.24 1yaj n LYS 300 Ca 0.09 0.25 0.05 0.00 -2.02 0.00 0.00 58.31 56.68 1yaj n LYS 300 Cb 0.31 -1.73 0.45 0.00 -0.02 0.00 0.00 35.03 34.04 1yaj n LYS 300 CO 0.00 0.00 0.00 0.52 -0.52 0.00 0.00 177.40 177.40 1yaj h MET 301 N 0.02 0.00 -5.35 1.97 2.86 -1.52 -3.47 114.93 109.45 1yaj h MET 301 Ca -0.37 0.00 -0.26 0.00 -2.06 0.00 0.00 59.70 57.01 1yaj h MET 301 Cb 2.04 0.00 0.18 0.00 0.06 0.00 0.00 31.60 33.87 1yaj h MET 301 CO 0.07 0.27 -0.78 1.17 1.06 0.00 0.00 176.91 178.70 1yaj n LYS 302 N -4.12 -3.58 0.23 1.72 4.81 -1.24 -4.97 118.16 111.01 1yaj n LYS 302 Ca -0.02 0.81 0.16 0.00 -0.87 0.00 0.00 58.31 58.39 1yaj n LYS 302 Cb 0.33 -5.61 0.70 0.00 0.02 0.00 0.00 35.03 30.47 1yaj n LYS 302 CO 0.00 0.00 0.00 0.74 1.17 0.00 0.00 177.40 179.31 1yaj h PHE 303 N -1.29 0.00 0.00 5.64 0.05 -1.89 -3.36 116.94 116.09 1yaj h PHE 303 Ca -0.57 0.00 -0.24 0.00 3.82 0.00 0.00 57.97 60.99 1yaj h PHE 303 Cb 1.30 0.00 -0.04 0.00 2.00 0.00 0.00 35.95 39.21 1yaj h PHE 303 CO 0.33 0.00 -1.87 1.47 -0.18 0.00 0.00 178.31 178.06 1yaj n LEU 304 N -2.75 2.59 -4.75 1.54 -0.00 -1.26 -4.74 117.00 107.62 1yaj n LEU 304 Ca 0.00 -0.02 -0.42 0.00 -0.00 0.00 0.00 56.01 55.58 1yaj n LEU 304 Cb 0.22 -0.52 -0.01 0.00 -0.00 0.00 0.00 43.42 43.11 1yaj n LEU 304 CO 0.22 0.67 1.24 -0.24 -0.00 0.00 0.00 177.39 179.27 1yaj n SER 305 N -3.11 3.88 -4.59 1.45 2.88 -1.26 -4.76 113.62 108.11 1yaj n SER 305 Ca -0.28 1.16 -0.41 0.00 -1.33 0.00 0.00 58.87 58.01 1yaj n SER 305 Cb 0.77 -1.60 -0.06 0.00 -0.75 0.00 0.00 64.21 62.57 1yaj n SER 305 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 1yaj s LEU 306 N -0.71 4.17 0.86 2.46 2.96 -1.22 -5.04 118.68 122.17 1yaj s LEU 306 Ca 0.62 0.37 -0.10 0.00 -0.22 0.00 0.00 54.13 54.80 1yaj s LEU 306 Cb -0.49 -2.82 0.11 0.00 0.50 0.00 0.00 46.19 43.50 1yaj s LEU 306 CO 0.51 -0.51 1.12 -0.62 -1.32 0.00 0.00 176.35 175.52 1yaj s ASP 307 N 1.68 3.50 0.00 3.68 3.68 -1.26 -4.95 116.67 123.00 1yaj s ASP 307 Ca 0.25 2.02 0.00 0.00 2.13 0.00 0.00 52.55 56.95 1yaj s ASP 307 Cb -0.15 -2.54 0.00 0.00 -1.45 0.00 0.00 42.92 38.79 1yaj s ASP 307 CO 0.13 -2.71 0.00 0.18 0.13 0.00 0.00 175.17 172.90 1yaj n LEU 308 N -3.97 0.00 0.00 -1.34 4.77 -1.26 -4.96 117.00 110.24 1yaj n LEU 308 Ca 0.10 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 56.07 1yaj n LEU 308 Cb 0.53 -0.31 0.01 0.00 -2.33 0.00 0.00 43.42 41.31 1yaj n LEU 308 CO 0.51 -0.39 0.05 0.00 -1.33 0.00 0.00 177.39 176.23 1yaj n GLN 309 N -2.26 -0.47 -0.21 3.23 0.00 -1.26 -4.94 117.38 111.48 1yaj n GLN 309 Ca 0.00 -0.12 0.03 0.00 0.00 0.00 0.00 57.00 56.91 1yaj n GLN 309 Cb 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 30.24 30.14 1yaj n GLN 309 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1yaj n GLY 310 N 3.58 -1.86 3.72 2.61 0.00 -1.26 -4.85 105.19 107.14 1yaj n GLY 310 Ca 0.01 -1.45 -0.41 0.00 0.00 0.00 0.00 46.02 44.16 1yaj n GLY 310 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1yaj s ASP 311 N -4.62 7.35 0.28 1.61 -1.08 -1.26 -4.97 116.67 113.98 1yaj s ASP 311 Ca 0.00 1.63 0.00 0.00 -0.52 0.00 0.00 52.55 53.67 1yaj s ASP 311 Cb 0.00 -2.55 0.54 0.00 -1.46 0.00 0.00 42.92 39.45 1yaj s ASP 311 CO 0.00 -0.17 1.82 -0.65 0.52 0.00 0.00 175.17 176.70 1yaj h PRO 312 N 6.35 0.91 0.08 4.34 0.11 -1.88 -2.49 132.00 139.41 1yaj h PRO 312 Ca -0.42 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 1yaj h PRO 312 Cb 1.21 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1yaj h PRO 312 CO 0.74 0.60 -0.04 0.00 -0.21 0.00 0.00 178.00 179.09 1yaj h ARG 313 N 0.93 -0.11 0.00 1.05 3.08 -1.93 -2.47 114.38 114.93 1yaj h ARG 313 Ca 0.48 0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.54 1yaj h ARG 313 Cb 0.50 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.57 1yaj h ARG 313 CO -0.27 -0.03 -0.01 1.49 -1.07 0.00 0.00 179.97 180.08 1yaj h GLU 314 N -0.16 0.00 -6.29 0.04 4.57 -1.92 -3.43 114.58 107.39 1yaj h GLU 314 Ca -0.01 0.00 -0.61 0.00 -1.18 0.00 0.00 59.36 57.56 1yaj h GLU 314 Cb 0.13 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 28.74 1yaj h GLU 314 CO 0.02 0.01 1.09 0.45 -1.18 0.00 0.00 179.01 179.40 1yaj n SER 315 N -4.13 3.47 -4.62 1.04 2.88 -0.93 -4.90 113.62 106.43 1yaj n SER 315 Ca -0.03 0.98 -0.43 0.00 -1.33 0.00 0.00 58.87 58.06 1yaj n SER 315 Cb 0.09 -1.38 -0.02 0.00 -0.75 0.00 0.00 64.21 62.15 1yaj n SER 315 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 1yaj s GLN 316 N 3.89 3.79 0.00 -1.46 2.00 -1.26 -4.94 119.66 121.68 1yaj s GLN 316 Ca 0.92 1.23 0.00 0.00 -2.00 0.00 0.00 55.36 55.50 1yaj s GLN 316 Cb -0.68 -3.95 0.00 0.00 0.80 0.00 0.00 33.01 29.18 1yaj s GLN 316 CO 0.50 -1.28 0.32 -0.35 -0.50 0.00 0.00 175.29 173.97 1yaj n PRO 317 N 7.60 0.00 0.00 1.67 -0.04 -1.26 -4.89 135.00 138.08 1yaj n PRO 317 Ca 0.16 0.39 0.00 0.00 -0.04 0.00 0.00 63.50 64.01 1yaj n PRO 317 Cb 0.47 -1.07 0.00 0.00 -0.04 0.00 0.00 33.50 32.86 1yaj n PRO 317 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 1yaj n LEU 318 N -1.66 0.00 -4.98 1.53 -0.00 -1.26 -4.78 117.00 105.84 1yaj n LEU 318 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 56.01 55.78 1yaj n LEU 318 Cb 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 43.42 43.50 1yaj n LEU 318 CO 0.00 0.00 0.50 -0.76 -0.00 0.00 0.00 177.39 177.13 1yaj s LEU 319 N 0.00 3.06 0.00 1.47 1.43 -1.26 -4.96 118.68 118.42 1yaj s LEU 319 Ca 0.00 -0.21 0.00 0.00 -1.03 0.00 0.00 54.13 52.89 1yaj s LEU 319 Cb 0.00 -2.31 0.00 0.00 0.03 0.00 0.00 46.19 43.91 1yaj s LEU 319 CO 0.00 -1.63 0.00 0.61 0.23 0.00 0.00 176.35 175.56 1yaj n GLY 320 N -2.69 -2.66 3.35 -3.19 0.00 -1.26 -4.83 105.19 93.92 1yaj n GLY 320 Ca 0.12 -1.28 -0.38 0.00 0.00 0.00 0.00 46.02 44.48 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 -0.48 1.10 -3.80 2.61 -1.04 -1.09 -4.53 114.28 107.05 1yaj n THR 321 Ca 0.00 -0.49 -0.10 0.00 -2.04 0.00 0.00 64.05 61.42 1yaj n THR 321 Cb 0.00 -0.34 -0.06 0.00 -1.82 0.00 0.00 70.33 68.11 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 -1.87 0.08 -0.60 12.58 -7.23 -1.26 -1.53 120.40 120.57 1yaj s VAL 322 Ca 0.62 -0.99 -0.23 0.00 -1.81 0.00 0.00 61.98 59.57 1yaj s VAL 322 Cb -0.46 -1.45 0.06 0.00 0.56 0.00 0.00 36.38 35.09 1yaj s VAL 322 CO 0.61 -0.38 0.94 -0.63 -0.31 0.00 0.00 175.10 175.33 1yaj s ILE 323 N -3.87 4.37 -0.18 -0.62 -1.09 -1.26 -4.67 121.20 113.88 1yaj s ILE 323 Ca 0.08 -0.06 0.17 0.00 -2.23 0.00 0.00 60.65 58.61 1yaj s ILE 323 Cb 0.03 -4.60 -0.25 0.00 -1.58 0.00 0.00 42.46 36.06 1yaj s ILE 323 CO -0.07 -1.27 0.14 -0.90 -1.23 0.00 0.00 174.94 171.61 1yaj n ASP 324 N 7.54 0.18 0.00 3.58 3.85 -1.20 -5.00 116.55 125.50 1yaj n ASP 324 Ca -0.01 0.05 0.00 0.00 -0.71 0.00 0.00 54.79 54.12 1yaj n ASP 324 Cb 0.46 0.81 0.00 0.00 -1.35 0.00 0.00 41.12 41.04 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 1.74 0.99 0.62 6.12 0.00 -0.49 -4.93 105.19 109.22 1yaj n GLY 325 Ca -0.31 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.02 0.00 0.41 1.61 2.81 -1.26 -4.84 117.12 113.83 1yaj n MET 326 Ca 0.00 0.00 -0.19 0.00 -1.81 0.00 0.00 57.70 55.70 1yaj n MET 326 Cb 0.00 0.00 -0.09 0.00 -0.71 0.00 0.00 33.22 32.42 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 -0.86 -8.39 4.03 5.85 -1.93 -3.42 115.31 110.58 1yaj h LEU 327 Ca 0.00 0.03 -0.67 0.00 0.84 0.00 0.00 57.88 58.07 1yaj h LEU 327 Cb 0.00 0.22 -0.32 0.00 0.37 0.00 0.00 40.66 40.94 1yaj h LEU 327 CO 0.00 -0.61 -0.85 -0.76 -0.34 0.00 0.00 178.44 175.88 1yaj s LEU 328 N -10.01 2.26 0.00 2.25 1.43 -1.26 -3.92 118.68 109.42 1yaj s LEU 328 Ca -0.18 -0.51 0.26 0.00 -1.03 0.00 0.00 54.13 52.67 1yaj s LEU 328 Cb 0.03 -1.47 0.60 0.00 0.03 0.00 0.00 46.19 45.38 1yaj s LEU 328 CO 0.61 0.15 1.47 0.18 0.23 0.00 0.00 176.35 178.99 1yaj n LEU 329 N 3.61 0.65 -3.60 1.79 4.77 -1.26 -1.40 117.00 121.55 1yaj n LEU 329 Ca -0.19 -0.07 -0.05 0.00 -0.03 0.00 0.00 56.01 55.67 1yaj n LEU 329 Cb 0.53 -0.21 -0.03 0.00 -2.33 0.00 0.00 43.42 41.37 1yaj n LEU 329 CO 0.29 0.14 0.98 -1.59 -1.33 0.00 0.00 177.39 175.88 1yaj s LYS 330 N -2.85 0.33 0.30 3.23 -2.85 -1.26 -4.79 119.74 111.86 1yaj s LYS 330 Ca 0.15 -0.04 -0.25 0.00 -1.00 0.00 0.00 55.97 54.84 1yaj s LYS 330 Cb 0.18 0.15 -0.16 0.00 -2.06 0.00 0.00 37.83 35.94 1yaj s LYS 330 CO 0.64 -0.13 0.31 0.25 0.10 0.00 0.00 175.35 176.52 1yaj n THR 331 N 0.22 1.33 -0.19 3.79 -2.24 -1.26 -4.56 114.28 111.36 1yaj n THR 331 Ca -0.02 -0.50 0.21 0.00 -2.27 0.00 0.00 64.05 61.47 1yaj n THR 331 Cb 0.58 -0.01 0.59 0.00 -2.10 0.00 0.00 70.33 69.39 1yaj n THR 331 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1yaj h PRO 332 N 0.67 0.25 0.45 -0.78 0.11 -2.00 -2.25 132.00 128.45 1yaj h PRO 332 Ca -0.33 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.76 1yaj h PRO 332 Cb 1.44 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.47 1yaj h PRO 332 CO 0.52 0.17 -0.44 0.93 -0.21 0.00 0.00 178.00 178.97 1yaj h GLU 333 N 0.26 -0.86 0.87 1.05 3.07 -1.92 -2.45 114.58 114.59 1yaj h GLU 333 Ca 0.43 0.06 -0.04 0.00 -0.50 0.00 0.00 59.36 59.30 1yaj h GLU 333 Cb 1.26 0.20 0.00 0.00 -0.84 0.00 0.00 28.75 29.37 1yaj h GLU 333 CO -0.11 -0.58 -0.47 0.93 -1.40 0.00 0.00 179.01 177.38 1yaj h GLU 334 N -0.90 -1.19 -0.82 2.33 5.08 -1.74 -3.12 114.58 114.22 1yaj h GLU 334 Ca -0.05 0.08 0.17 0.00 -1.00 0.00 0.00 59.36 58.57 1yaj h GLU 334 Cb 0.79 0.27 -0.16 0.00 0.50 0.00 0.00 28.75 30.15 1yaj h GLU 334 CO -0.06 -0.79 -0.18 1.28 -1.00 0.00 0.00 179.01 178.26 1yaj n LEU 335 N -5.48 -0.27 0.00 1.33 4.77 -0.98 0.92 117.00 117.28 1yaj n LEU 335 Ca -0.15 1.41 0.00 0.00 -0.03 0.00 0.00 56.01 57.24 1yaj n LEU 335 Cb 0.50 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1yaj n LEU 335 CO 0.36 -1.36 0.29 0.00 -1.33 0.00 0.00 177.39 175.35 1yaj n GLN 336 N -5.32 0.00 0.05 3.23 6.02 -0.92 -1.27 117.38 119.16 1yaj n GLN 336 Ca 0.14 0.09 0.11 0.00 -0.01 0.00 0.00 57.00 57.33 1yaj n GLN 336 Cb 0.43 -1.51 0.04 0.00 1.02 0.00 0.00 30.24 30.23 1yaj n GLN 336 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1yaj n ALA 337 N -1.07 3.03 -2.91 -1.58 0.00 0.26 -4.88 120.51 113.36 1yaj n ALA 337 Ca 0.00 -0.33 -0.34 0.00 0.00 0.00 0.00 53.44 52.77 1yaj n ALA 337 Cb 0.01 -1.04 -0.12 0.00 0.00 0.00 0.00 19.45 18.30 1yaj n ALA 337 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1yaj s GLU 338 N -3.25 3.53 0.00 0.00 8.01 -0.40 -4.98 118.70 121.61 1yaj s GLU 338 Ca 0.02 -0.53 0.15 0.00 0.01 0.00 0.00 54.97 54.62 1yaj s GLU 338 Cb 0.13 -2.86 -0.01 0.00 -4.31 0.00 0.00 34.13 27.08 1yaj s GLU 338 CO 0.79 0.30 0.79 0.54 0.01 0.00 0.00 175.26 177.69 1yaj n ARG 339 N 3.33 1.81 0.15 1.61 3.00 -1.26 -4.49 116.66 120.81 1yaj n ARG 339 Ca -0.18 -0.71 0.08 0.00 -0.01 0.00 0.00 57.85 57.03 1yaj n ARG 339 Cb 0.53 -1.23 0.41 0.00 0.00 0.00 0.00 32.46 32.17 1yaj n ARG 339 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 1yaj n ASN 340 N -0.24 0.39 -4.88 0.55 6.94 -1.26 -4.61 115.26 112.16 1yaj n ASN 340 Ca 0.06 0.62 -0.30 0.00 -0.02 0.00 0.00 54.58 54.94 1yaj n ASN 340 Cb 0.30 -0.62 -0.02 0.00 -2.36 0.00 0.00 39.78 37.08 1yaj n ASN 340 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 1yaj s PHE 341 N -3.35 3.49 0.64 -2.53 5.36 -1.26 -5.05 117.98 115.28 1yaj s PHE 341 Ca -0.02 1.01 -0.17 0.00 -0.96 0.00 0.00 56.93 56.79 1yaj s PHE 341 Cb 0.04 -2.42 -0.01 0.00 -0.34 0.00 0.00 43.02 40.29 1yaj s PHE 341 CO 0.14 -0.16 1.22 -1.58 -1.46 0.00 0.00 175.22 173.37 1yaj s HIS 342 N -2.47 2.26 0.07 10.12 5.65 -1.26 -5.04 115.29 124.61 1yaj s HIS 342 Ca 0.51 1.54 0.03 0.00 0.25 0.00 0.00 55.06 57.38 1yaj s HIS 342 Cb -0.10 -3.50 -0.03 0.00 -1.18 0.00 0.00 32.58 27.77 1yaj s HIS 342 CO 0.35 -2.41 -0.10 0.95 -0.65 0.00 0.00 174.74 172.87 1yaj s THR 343 N -1.72 0.81 0.04 0.89 -4.23 -1.26 -5.10 115.64 105.08 1yaj s THR 343 Ca 0.77 -1.33 -0.01 0.00 -1.18 0.00 0.00 61.69 59.93 1yaj s THR 343 Cb -0.31 -0.99 -0.03 0.00 1.34 0.00 0.00 72.50 72.51 1yaj s THR 343 CO 0.38 -0.41 -0.02 0.68 -0.54 0.00 0.00 174.62 174.71 1yaj s VAL 344 N -1.75 0.17 0.18 2.29 -7.23 -1.26 -5.04 120.40 107.77 1yaj s VAL 344 Ca -0.03 -1.44 -0.33 0.00 -1.81 0.00 0.00 61.98 58.38 1yaj s VAL 344 Cb -0.07 -1.03 -0.15 0.00 0.56 0.00 0.00 36.38 35.68 1yaj s VAL 344 CO 0.01 -0.79 1.18 -2.65 -0.31 0.00 0.00 175.10 172.53 1yaj n PRO 345 N 0.68 1.23 -4.47 4.82 -0.02 -1.26 -4.74 135.00 131.23 1yaj n PRO 345 Ca -0.18 0.44 -0.21 0.00 -2.02 0.00 0.00 63.50 61.53 1yaj n PRO 345 Cb 0.59 -1.94 -0.15 0.00 -0.02 0.00 0.00 33.50 31.97 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 -0.20 1.03 -0.24 6.00 6.04 -0.91 -2.23 117.35 126.84 1yaj s TYR 346 Ca 0.72 -0.23 0.01 0.00 0.04 0.00 0.00 57.07 57.62 1yaj s TYR 346 Cb -0.83 -0.69 0.06 0.00 -1.04 0.00 0.00 41.96 39.45 1yaj s TYR 346 CO 0.52 -0.06 -0.08 1.41 -1.54 0.00 0.00 175.55 175.81 1yaj s MET 347 N -0.06 1.84 -0.23 4.97 1.75 -0.72 -2.36 119.30 124.50 1yaj s MET 347 Ca 0.01 -1.07 -0.02 0.00 -1.25 0.00 0.00 55.69 53.36 1yaj s MET 347 Cb -0.07 -2.65 0.01 0.00 2.84 0.00 0.00 34.83 34.97 1yaj s MET 347 CO 0.00 -0.57 -0.07 0.08 -0.65 0.00 0.00 175.02 173.81 1yaj s VAL 348 N 1.32 2.92 0.13 10.11 1.01 -0.78 -0.39 120.40 134.72 1yaj s VAL 348 Ca -0.06 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.11 1yaj s VAL 348 Cb -0.19 -2.40 -0.04 0.00 0.00 0.00 0.00 36.38 33.75 1yaj s VAL 348 CO -0.06 0.32 -0.06 -0.83 0.00 0.00 0.00 175.10 174.47 1yaj s GLY 349 N 1.37 0.98 0.28 4.51 0.00 -0.69 -2.97 107.32 110.80 1yaj s GLY 349 Ca 0.03 -1.46 0.02 0.00 0.00 0.00 0.00 44.72 43.30 1yaj s GLY 349 CO -0.05 -1.52 0.06 0.29 0.00 0.00 0.00 173.10 171.87 1yaj n ILE 350 N -0.15 0.00 -5.14 0.90 -5.35 -0.09 -0.69 119.36 108.84 1yaj n ILE 350 Ca -0.10 -1.50 -0.30 0.00 -0.27 0.00 0.00 62.75 60.58 1yaj n ILE 350 Cb 0.61 0.45 -0.16 0.00 -1.74 0.00 0.00 39.64 38.80 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 -2.64 2.78 0.21 7.28 0.02 -1.26 -0.61 114.94 120.72 1yaj s ASN 351 Ca 0.08 -0.46 -0.13 0.00 -1.02 0.00 0.00 52.86 51.33 1yaj s ASN 351 Cb 0.00 -0.69 0.25 0.00 0.02 0.00 0.00 41.25 40.84 1yaj s ASN 351 CO 0.06 0.23 1.35 1.17 0.02 0.00 0.00 177.10 179.93 1yaj n LYS 352 N 2.92 -0.18 -3.37 -0.60 3.00 -0.02 -2.64 118.16 117.27 1yaj n LYS 352 Ca -0.17 1.34 -0.27 0.00 -0.00 0.00 0.00 58.31 59.21 1yaj n LYS 352 Cb 0.52 -1.99 -0.08 0.00 0.00 0.00 0.00 35.03 33.48 1yaj n LYS 352 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 1yaj n GLN 353 N -5.31 2.41 -0.34 1.64 6.02 0.47 -4.93 117.38 117.34 1yaj n GLN 353 Ca 0.10 -4.56 0.09 0.00 -0.01 0.00 0.00 57.00 52.62 1yaj n GLN 353 Cb 0.37 -2.17 0.27 0.00 1.02 0.00 0.00 30.24 29.73 1yaj n GLN 353 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1yaj h GLU 354 N 4.09 0.80 -0.69 -1.09 4.39 -1.61 0.83 114.58 121.29 1yaj h GLU 354 Ca 0.18 -0.05 -0.22 0.00 0.34 0.00 0.00 59.36 59.62 1yaj h GLU 354 Cb 0.67 -0.18 -0.13 0.00 -0.10 0.00 0.00 28.75 29.01 1yaj h GLU 354 CO 0.81 0.53 0.25 0.34 -1.16 0.00 0.00 179.01 179.77 1yaj n PHE 355 N -4.74 2.29 0.23 4.33 -0.00 -1.26 -3.68 117.46 114.62 1yaj n PHE 355 Ca 0.20 -1.25 -0.15 0.00 -0.00 0.00 0.00 57.45 56.25 1yaj n PHE 355 Cb 0.46 -0.66 -0.07 0.00 -0.00 0.00 0.00 39.48 39.20 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 2.39 -0.66 0.00 7.13 0.00 -1.17 -3.45 103.07 107.31 1yaj h GLY 356 Ca 0.27 0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.90 1yaj h GLY 356 CO 0.70 -0.25 0.00 1.87 0.00 0.00 0.00 176.54 178.86 1yaj n TRP 357 N -5.40 -1.08 -0.10 5.60 -0.00 -1.26 -4.98 117.44 110.23 1yaj n TRP 357 Ca -0.10 0.00 -0.10 0.00 -0.00 0.00 0.00 57.50 57.30 1yaj n TRP 357 Cb 0.30 0.40 -0.05 0.00 -0.00 0.00 0.00 31.31 31.96 1yaj n TRP 357 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 177.69 178.94 1yaj h LEU 358 N 0.00 -1.39 0.89 5.87 5.85 -1.88 -0.90 115.31 123.76 1yaj h LEU 358 Ca 0.00 0.21 -0.04 0.00 0.84 0.00 0.00 57.88 58.88 1yaj h LEU 358 Cb 0.00 0.60 0.01 0.00 0.37 0.00 0.00 40.66 41.64 1yaj h LEU 358 CO 0.00 -0.37 -0.43 0.40 -0.34 0.00 0.00 178.44 177.70 1yaj h ILE 359 N -0.35 0.00 -0.59 4.05 2.04 -1.90 -3.20 117.51 117.56 1yaj h ILE 359 Ca 0.13 -0.06 0.12 0.00 1.00 0.00 0.00 64.86 66.04 1yaj h ILE 359 Cb 0.59 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.57 1yaj h ILE 359 CO -0.54 0.00 -0.03 -0.65 0.00 0.00 0.00 178.15 176.93 1yaj h PRO 360 N -1.27 0.08 -1.47 2.37 0.11 -1.85 -0.15 132.00 129.83 1yaj h PRO 360 Ca -0.12 -0.01 0.44 0.00 0.11 0.00 0.00 66.00 66.42 1yaj h PRO 360 Cb 0.92 -0.02 -0.09 0.00 0.11 0.00 0.00 31.00 31.92 1yaj h PRO 360 CO 0.20 0.06 1.02 1.98 -0.21 0.00 0.00 178.00 181.05 1yaj h MET 361 N 0.09 0.06 0.00 1.05 4.05 -1.17 0.41 114.93 119.42 1yaj h MET 361 Ca 0.30 -0.00 -0.30 0.00 -0.28 0.00 0.00 59.70 59.41 1yaj h MET 361 Cb 0.48 -0.01 -0.05 0.00 -0.80 0.00 0.00 31.60 31.22 1yaj h MET 361 CO -0.53 0.04 -1.66 1.28 0.23 0.00 0.00 176.91 176.27 1yaj n LEU 363 N -4.30 1.90 0.00 3.39 4.77 -0.19 -4.07 117.00 118.50 1yaj n LEU 363 Ca 0.35 0.39 0.04 0.00 -0.03 0.00 0.00 56.01 56.76 1yaj n LEU 363 Cb 1.52 -0.92 0.24 0.00 -2.33 0.00 0.00 43.42 41.92 1yaj n LEU 363 CO 0.34 0.38 0.44 0.23 -1.33 0.00 0.00 177.39 177.45 1yaj n MET 364 N -4.36 0.33 -3.78 3.23 2.81 -0.49 -4.82 117.12 110.04 1yaj n MET 364 Ca -0.39 0.00 -0.27 0.00 -1.81 0.00 0.00 57.70 55.23 1yaj n MET 364 Cb 0.75 -1.38 0.02 0.00 -0.71 0.00 0.00 33.22 31.90 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 -0.88 -2.80 -4.77 7.83 7.64 0.13 -3.39 113.62 117.38 1yaj n SER 365 Ca 0.06 -0.98 -0.39 0.00 1.01 0.00 0.00 58.87 58.58 1yaj n SER 365 Cb 0.03 -3.40 -0.02 0.00 -1.01 0.00 0.00 64.21 59.81 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 -3.68 3.06 -0.61 1.43 5.04 -0.99 -4.85 117.35 116.76 1yaj s TYR 366 Ca 0.22 1.54 0.00 0.00 -2.44 0.00 0.00 57.07 56.39 1yaj s TYR 366 Cb -0.08 -3.44 0.00 0.00 0.35 0.00 0.00 41.96 38.80 1yaj s TYR 366 CO 0.86 -1.40 0.00 -2.30 -1.34 0.00 0.00 175.55 171.37 1yaj n PRO 367 N 0.18 0.00 -3.29 4.97 -0.02 -1.26 -4.71 135.00 130.88 1yaj n PRO 367 Ca 0.04 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 61.12 1yaj n PRO 367 Cb 0.46 -0.96 -0.08 0.00 -0.02 0.00 0.00 33.50 32.90 1yaj n PRO 367 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1yaj s LEU 368 N 0.00 4.15 0.00 2.45 1.43 -1.26 -4.75 118.68 120.71 1yaj s LEU 368 Ca 0.00 0.25 0.00 0.00 -1.03 0.00 0.00 54.13 53.35 1yaj s LEU 368 Cb 0.00 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.66 1yaj s LEU 368 CO 0.00 -0.32 0.00 -1.54 0.23 0.00 0.00 176.35 174.72 1yaj n SER 369 N 5.54 0.00 0.00 2.29 3.41 -1.26 -4.88 113.62 118.72 1yaj n SER 369 Ca -0.06 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.64 1yaj n SER 369 Cb 0.50 0.00 0.41 0.00 -0.26 0.00 0.00 64.21 64.85 1yaj n SER 369 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1yaj n GLU 370 N -1.32 0.07 -1.19 4.33 1.02 -1.26 -4.85 120.64 117.44 1yaj n GLU 370 Ca 0.00 0.17 -0.06 0.00 -0.02 0.00 0.00 57.16 57.24 1yaj n GLU 370 Cb 0.00 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 29.89 1yaj n GLU 370 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1yaj n GLY 371 N 0.33 0.78 3.45 0.62 0.00 -1.26 -4.96 105.19 104.16 1yaj n GLY 371 Ca 0.06 -0.21 -0.14 0.00 0.00 0.00 0.00 46.02 45.72 1yaj n GLY 371 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1yaj s GLN 372 N -2.15 0.67 -0.02 1.61 -2.07 -1.26 -4.42 119.66 112.01 1yaj s GLN 372 Ca 0.00 0.72 0.02 0.00 -1.82 0.00 0.00 55.36 54.27 1yaj s GLN 372 Cb 0.00 0.33 0.01 0.00 -1.09 0.00 0.00 33.01 32.25 1yaj s GLN 372 CO 0.00 -0.09 -0.05 -1.17 -1.32 0.00 0.00 175.29 172.65 1yaj s LEU 373 N 0.17 1.67 0.54 2.60 2.96 -0.67 -4.91 118.68 121.03 1yaj s LEU 373 Ca -0.01 -0.12 0.01 0.00 -0.22 0.00 0.00 54.13 53.79 1yaj s LEU 373 Cb -0.04 -0.39 0.03 0.00 0.50 0.00 0.00 46.19 46.29 1yaj s LEU 373 CO 0.01 0.01 0.76 1.51 -1.32 0.00 0.00 176.35 177.33 1yaj s ASP 374 N 0.38 5.32 0.07 3.68 -4.77 -1.26 -4.43 116.67 115.65 1yaj s ASP 374 Ca -0.05 -0.00 -0.37 0.00 -3.30 0.00 0.00 52.55 48.83 1yaj s ASP 374 Cb -0.09 -0.91 -0.20 0.00 -1.09 0.00 0.00 42.92 40.63 1yaj s ASP 374 CO -0.00 -1.10 1.58 1.56 0.70 0.00 0.00 175.17 177.90 1yaj h GLN 375 N 0.11 -1.21 -0.92 2.11 1.08 -1.99 -0.62 115.11 113.67 1yaj h GLN 375 Ca -0.42 0.08 0.13 0.00 -1.45 0.00 0.00 58.65 56.99 1yaj h GLN 375 Cb 1.29 0.28 -0.09 0.00 -0.05 0.00 0.00 27.48 28.91 1yaj h GLN 375 CO 0.52 -0.81 0.54 0.87 -0.95 0.00 0.00 178.83 179.00 1yaj h LYS 376 N -1.26 0.79 -0.11 1.46 1.79 -2.01 -2.45 116.57 114.79 1yaj h LYS 376 Ca -0.12 -0.05 -0.06 0.00 -2.18 0.00 0.00 60.65 58.24 1yaj h LYS 376 Cb 0.98 -0.18 -0.00 0.00 -1.58 0.00 0.00 32.23 31.45 1yaj h LYS 376 CO 0.18 0.52 -0.17 1.15 -1.08 0.00 0.00 179.45 180.05 1yaj h THR 377 N 0.82 1.38 -1.00 -0.16 2.02 -1.96 -2.90 112.91 111.11 1yaj h THR 377 Ca 0.47 -1.41 0.23 0.00 0.77 0.00 0.00 66.41 66.47 1yaj h THR 377 Cb 0.55 2.04 -0.09 0.00 -1.74 0.00 0.00 68.15 68.91 1yaj h THR 377 CO -0.30 0.41 0.64 0.00 0.37 0.00 0.00 175.52 176.63 1yaj h ALA 378 N 0.54 2.08 -0.14 6.16 0.00 -0.65 0.51 119.26 127.76 1yaj h ALA 378 Ca 0.01 0.06 -0.21 0.00 0.00 0.00 0.00 54.91 54.77 1yaj h ALA 378 Cb 0.74 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.52 1yaj h ALA 378 CO 0.04 -0.45 -0.76 0.52 0.00 0.00 0.00 179.25 178.60 1yaj h MET 379 N 0.49 0.68 -0.40 0.00 2.07 -1.46 0.46 114.93 116.78 1yaj h MET 379 Ca 0.56 -0.55 -0.06 0.00 -2.07 0.00 0.00 59.70 57.58 1yaj h MET 379 Cb 1.27 0.11 -0.01 0.00 -1.87 0.00 0.00 31.60 31.10 1yaj h MET 379 CO -0.29 1.17 0.00 0.77 1.07 0.00 0.00 176.91 179.63 1yaj h SER 380 N 0.47 0.69 0.26 1.22 0.02 -0.43 -2.57 113.55 113.22 1yaj h SER 380 Ca -0.04 -0.30 -0.01 0.00 -0.84 0.00 0.00 61.79 60.59 1yaj h SER 380 Cb 1.37 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.73 1yaj h SER 380 CO 0.15 0.82 -0.13 0.25 -1.14 0.00 0.00 176.83 176.79 1yaj h LEU 381 N 0.53 -0.30 -0.91 5.07 6.46 -0.13 -2.34 115.31 123.70 1yaj h LEU 381 Ca 0.11 -0.21 0.25 0.00 -0.12 0.00 0.00 57.88 57.91 1yaj h LEU 381 Cb 0.47 0.08 -0.14 0.00 -0.73 0.00 0.00 40.66 40.34 1yaj h LEU 381 CO 0.02 0.09 0.35 0.25 -0.62 0.00 0.00 178.44 178.52 1yaj h LEU 382 N -0.73 0.19 -0.57 2.25 5.85 -0.94 0.67 115.31 122.03 1yaj h LEU 382 Ca -0.04 0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.83 1yaj h LEU 382 Cb 0.49 0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.70 1yaj h LEU 382 CO 0.06 -0.11 0.21 -0.25 -0.34 0.00 0.00 178.44 178.01 1yaj h TRP 383 N 0.28 0.88 0.00 1.25 2.91 -1.40 -0.98 115.95 118.90 1yaj h TRP 383 Ca 0.59 -0.07 0.00 0.00 1.13 0.00 0.00 58.89 60.54 1yaj h TRP 383 Cb 1.22 -0.26 0.00 0.00 -0.51 0.00 0.00 29.16 29.61 1yaj h TRP 383 CO -0.18 0.72 0.00 1.63 -1.03 0.00 0.00 178.44 179.58 1yaj n LYS 384 N -4.47 0.43 -0.49 2.65 5.02 0.23 -1.69 118.16 119.84 1yaj n LYS 384 Ca 0.03 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.39 1yaj n LYS 384 Cb 0.18 -1.05 0.15 0.00 -0.02 0.00 0.00 35.03 34.28 1yaj n LYS 384 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1yaj n SER 385 N -0.55 1.73 -0.23 4.39 7.64 -0.37 -4.79 113.62 121.44 1yaj n SER 385 Ca 0.01 -3.25 0.02 0.00 1.01 0.00 0.00 58.87 56.66 1yaj n SER 385 Cb 0.01 -0.44 0.14 0.00 -1.01 0.00 0.00 64.21 62.91 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 0.55 0.45 0.00 1.43 3.20 -1.40 0.32 116.97 121.52 1yaj h TYR 386 Ca -0.02 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1yaj h TYR 386 Cb 1.13 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 39.30 1yaj h TYR 386 CO 0.36 0.08 0.00 -0.35 -1.64 0.00 0.00 178.16 176.62 1yaj n PRO 387 N -5.00 0.04 -0.00 1.82 -0.04 -1.26 -0.04 135.00 130.52 1yaj n PRO 387 Ca 0.11 0.27 0.04 0.00 -0.04 0.00 0.00 63.50 63.88 1yaj n PRO 387 Cb 0.34 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.24 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 -1.30 0.06 0.00 1.53 4.77 0.10 -4.74 117.00 117.43 1yaj n LEU 388 Ca 0.01 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 1yaj n LEU 388 Cb 0.02 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1yaj n LEU 388 CO 0.02 0.02 -0.28 1.33 -1.33 0.00 0.00 177.39 177.15 1yaj n VAL 389 N -1.64 0.00 -3.01 4.08 0.24 -0.61 -4.78 118.33 112.61 1yaj n VAL 389 Ca -0.01 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.24 1yaj n VAL 389 Cb 0.17 -0.48 0.03 0.00 -1.47 0.00 0.00 33.84 32.09 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 -3.15 1.19 0.26 0.00 1.01 -1.26 -5.11 121.20 114.14 1yaj s ILE 391 Ca 0.17 -0.56 -0.30 0.00 0.00 0.00 0.00 60.65 59.96 1yaj s ILE 391 Cb -0.02 -1.05 -0.10 0.00 0.01 0.00 0.00 42.46 41.30 1yaj s ILE 391 CO 0.69 0.36 1.44 0.00 0.00 0.00 0.00 174.94 177.42 1yaj s ALA 392 N 0.27 3.62 0.64 9.38 0.00 -1.26 -4.89 121.76 129.53 1yaj s ALA 392 Ca -0.07 1.33 0.37 0.00 0.00 0.00 0.00 51.96 53.58 1yaj s ALA 392 Cb -0.12 -3.55 2.05 0.00 0.00 0.00 0.00 23.12 21.49 1yaj s ALA 392 CO 0.02 -0.74 2.22 -0.22 0.00 0.00 0.00 175.76 177.04 1yaj h LYS 393 N 4.92 0.00 0.00 0.00 3.64 -1.99 0.11 116.57 123.25 1yaj h LYS 393 Ca -0.46 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 1yaj h LYS 393 Cb 1.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 1yaj h LYS 393 CO 0.77 0.00 -0.04 -0.85 -2.27 0.00 0.00 179.45 177.06 1yaj n GLU 394 N -3.31 0.11 -0.09 1.90 0.28 -1.26 -3.49 120.64 114.77 1yaj n GLU 394 Ca -0.02 0.08 -0.14 0.00 -0.16 0.00 0.00 57.16 56.92 1yaj n GLU 394 Cb 0.18 -1.62 -0.14 0.00 1.43 0.00 0.00 31.44 31.29 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 -1.80 1.47 -0.28 -1.84 4.77 0.35 -4.51 117.00 115.16 1yaj n LEU 395 Ca 0.06 0.04 0.02 0.00 -0.03 0.00 0.00 56.01 56.10 1yaj n LEU 395 Cb 0.38 -0.23 0.07 0.00 -2.33 0.00 0.00 43.42 41.31 1yaj n LEU 395 CO 0.29 0.68 0.48 -0.38 -1.33 0.00 0.00 177.39 177.12 1yaj n ILE 396 N -3.06 -0.36 -0.27 -0.08 2.08 -0.98 0.83 119.36 117.52 1yaj n ILE 396 Ca -0.35 1.77 0.07 0.00 0.56 0.00 0.00 62.75 64.80 1yaj n ILE 396 Cb 1.07 -2.39 0.21 0.00 -0.75 0.00 0.00 39.64 37.79 1yaj n ILE 396 CO 0.00 0.00 0.00 -0.65 0.56 0.00 0.00 176.55 176.46 1yaj h PRO 397 N 0.00 0.45 -0.44 0.38 0.11 -1.79 0.54 132.00 131.25 1yaj h PRO 397 Ca 0.32 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.37 1yaj h PRO 397 Cb 0.51 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.50 1yaj h PRO 397 CO -0.77 0.30 0.15 1.49 -0.21 0.00 0.00 178.00 178.95 1yaj h GLU 398 N 0.46 0.69 0.30 1.05 4.81 0.16 -2.85 114.58 119.19 1yaj h GLU 398 Ca 0.45 -0.14 -0.01 0.00 -0.13 0.00 0.00 59.36 59.52 1yaj h GLU 398 Cb 0.71 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.99 1yaj h GLU 398 CO -0.42 0.66 -0.14 0.00 -0.73 0.00 0.00 179.01 178.37 1yaj h ALA 399 N 1.00 -0.40 0.00 2.92 0.00 -0.71 -3.02 119.26 119.05 1yaj h ALA 399 Ca 0.14 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1yaj h ALA 399 Cb 0.25 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1yaj h ALA 399 CO -0.01 -0.48 0.34 2.41 0.00 0.00 0.00 179.25 181.52 1yaj n THR 400 N -5.07 0.61 -0.08 0.00 -1.04 0.18 -0.76 114.28 108.12 1yaj n THR 400 Ca -0.09 0.71 -0.21 0.00 -2.04 0.00 0.00 64.05 62.42 1yaj n THR 400 Cb 0.26 -1.71 -0.12 0.00 -1.82 0.00 0.00 70.33 66.95 1yaj n THR 400 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 1yaj h GLU 401 N 0.00 0.04 -0.63 -2.82 4.57 -1.38 -2.52 114.58 111.85 1yaj h GLU 401 Ca 0.00 -0.07 0.10 0.00 -1.18 0.00 0.00 59.36 58.20 1yaj h GLU 401 Cb 0.68 0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 29.26 1yaj h GLU 401 CO 0.00 1.04 0.42 -0.22 -1.18 0.00 0.00 179.01 179.07 1yaj h LYS 402 N -0.86 0.45 0.00 1.92 1.63 -0.85 0.30 116.57 119.16 1yaj h LYS 402 Ca -0.30 -0.03 -0.23 0.00 -0.85 0.00 0.00 60.65 59.25 1yaj h LYS 402 Cb 1.35 -0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 32.85 1yaj h LYS 402 CO -0.13 0.30 -1.59 0.66 -3.45 0.00 0.00 179.45 175.24 1yaj n TYR 403 N -4.47 0.36 1.54 1.91 4.02 -1.07 -4.57 117.16 114.87 1yaj n TYR 403 Ca 0.10 0.16 0.14 0.00 -0.01 0.00 0.00 57.90 58.29 1yaj n TYR 403 Cb 0.36 -0.86 0.58 0.00 -0.02 0.00 0.00 39.34 39.39 1yaj n TYR 403 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1yaj n LEU 404 N -4.40 1.16 0.00 7.72 4.77 -0.95 -4.12 117.00 121.19 1yaj n LEU 404 Ca -0.33 -0.37 0.08 0.00 -0.03 0.00 0.00 56.01 55.37 1yaj n LEU 404 Cb 0.66 -0.03 0.42 0.00 -2.33 0.00 0.00 43.42 42.14 1yaj n LEU 404 CO 0.12 0.20 0.75 0.61 -1.33 0.00 0.00 177.39 177.74 1yaj n GLY 405 N 1.17 -0.89 0.00 -0.72 0.00 0.10 -4.72 105.19 100.15 1yaj n GLY 405 Ca 0.19 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1yaj n GLY 405 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yaj n GLY 406 N 0.17 0.24 2.97 -0.02 0.00 -1.26 -4.92 105.19 102.38 1yaj n GLY 406 Ca 0.07 -1.27 -0.40 0.00 0.00 0.00 0.00 46.02 44.42 1yaj n GLY 406 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1yaj n THR 407 N 0.00 1.12 -2.70 2.61 -1.04 -1.26 -4.82 114.28 108.20 1yaj n THR 407 Ca 0.00 -0.44 -0.41 0.00 -2.04 0.00 0.00 64.05 61.16 1yaj n THR 407 Cb 0.00 0.00 0.02 0.00 -1.82 0.00 0.00 70.33 68.53 1yaj n THR 407 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1yaj n ASP 408 N 1.94 7.14 -4.01 8.00 2.03 -1.26 -4.87 116.55 125.52 1yaj n ASP 408 Ca 0.13 -3.66 -0.30 0.00 0.52 0.00 0.00 54.79 51.47 1yaj n ASP 408 Cb 0.29 -1.16 -0.16 0.00 -0.72 0.00 0.00 41.12 39.38 1yaj n ASP 408 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1yaj s ASP 409 N -1.48 3.11 0.53 1.67 2.15 -1.26 -5.01 116.67 116.38 1yaj s ASP 409 Ca 0.39 -0.73 0.37 0.00 0.43 0.00 0.00 52.55 53.00 1yaj s ASP 409 Cb 0.18 -1.21 1.54 0.00 -0.30 0.00 0.00 42.92 43.12 1yaj s ASP 409 CO -0.10 -0.11 1.78 0.71 -0.17 0.00 0.00 175.17 177.28 1yaj h THR 410 N 6.26 0.37 0.13 1.71 1.35 -1.91 -1.09 112.91 119.72 1yaj h THR 410 Ca -0.32 -0.01 -0.01 0.00 -0.55 0.00 0.00 66.41 65.52 1yaj h THR 410 Cb 1.11 0.34 0.00 0.00 -1.73 0.00 0.00 68.15 67.88 1yaj h THR 410 CO 0.50 0.01 -0.06 0.58 -0.25 0.00 0.00 175.52 176.29 1yaj h VAL 411 N 0.03 0.73 0.00 6.82 2.07 -1.88 -1.73 116.25 122.29 1yaj h VAL 411 Ca 0.60 -1.23 0.00 0.00 0.82 0.00 0.00 66.70 66.89 1yaj h VAL 411 Cb 2.36 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 33.42 1yaj h VAL 411 CO -0.03 0.21 0.07 0.11 0.02 0.00 0.00 177.57 177.94 1yaj h LYS 412 N -0.94 0.00 0.10 1.57 1.57 -1.60 -2.11 116.57 115.15 1yaj h LYS 412 Ca -0.02 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1yaj h LYS 412 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1yaj h LYS 412 CO 0.03 0.00 -0.05 0.87 -0.57 0.00 0.00 179.45 179.73 1yaj h LYS 413 N 0.00 -0.13 -1.15 3.15 1.57 -1.24 -1.73 116.57 117.03 1yaj h LYS 413 Ca 0.00 0.01 0.33 0.00 -1.87 0.00 0.00 60.65 59.11 1yaj h LYS 413 Cb 0.13 0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.40 1yaj h LYS 413 CO 0.00 0.08 0.80 -0.22 -0.57 0.00 0.00 179.45 179.54 1yaj h LYS 414 N -1.01 0.13 0.07 3.15 3.11 -1.18 1.24 116.57 122.09 1yaj h LYS 414 Ca -0.01 -0.01 -0.27 0.00 -2.81 0.00 0.00 60.65 57.55 1yaj h LYS 414 Cb 0.26 -0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 31.45 1yaj h LYS 414 CO 0.02 0.08 -1.31 -0.44 -2.81 0.00 0.00 179.45 175.00 1yaj h ASP 415 N 0.13 0.24 0.13 4.20 3.32 -1.52 -3.23 116.42 119.70 1yaj h ASP 415 Ca 0.59 -0.30 -0.27 0.00 0.02 0.00 0.00 57.03 57.07 1yaj h ASP 415 Cb 2.05 -0.08 0.02 0.00 0.22 0.00 0.00 39.33 41.54 1yaj h ASP 415 CO -0.12 1.24 -1.11 -0.07 -1.72 0.00 0.00 179.24 177.46 1yaj h LEU 416 N 0.04 0.82 -2.17 1.55 3.38 0.14 -2.41 115.31 116.65 1yaj h LEU 416 Ca -0.15 -0.70 -0.00 0.00 0.09 0.00 0.00 57.88 57.12 1yaj h LEU 416 Cb 1.93 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 42.43 1yaj h LEU 416 CO 0.16 1.50 -0.01 0.15 0.09 0.00 0.00 178.44 180.33 1yaj h PHE 417 N 0.31 0.00 0.07 1.13 3.57 0.10 -0.59 116.94 121.54 1yaj h PHE 417 Ca -0.14 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.35 1yaj h PHE 417 Cb 1.77 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.51 1yaj h PHE 417 CO 0.10 0.01 -0.03 -0.07 -2.23 0.00 0.00 178.31 176.08 1yaj h LEU 418 N 0.00 -0.08 -1.86 0.59 3.38 -1.55 -2.93 115.31 112.86 1yaj h LEU 418 Ca -0.00 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.45 1yaj h LEU 418 Cb 0.02 0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1yaj h LEU 418 CO 0.00 0.60 0.22 0.44 0.09 0.00 0.00 178.44 179.78 1yaj h ASP 419 N -0.88 0.00 -0.00 -0.43 3.32 -0.91 0.19 116.42 117.69 1yaj h ASP 419 Ca -0.01 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 1yaj h ASP 419 Cb 0.60 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.15 1yaj h ASP 419 CO 0.02 0.00 -0.01 0.25 -1.72 0.00 0.00 179.24 177.78 1yaj h LEU 420 N 0.00 0.01 -0.51 1.55 7.12 -0.98 -2.93 115.31 119.57 1yaj h LEU 420 Ca 0.00 -0.56 -0.11 0.00 0.13 0.00 0.00 57.88 57.33 1yaj h LEU 420 Cb 0.43 -0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.54 1yaj h LEU 420 CO 0.00 0.57 -0.12 0.40 -0.13 0.00 0.00 178.44 179.16 1yaj h ILE 421 N -0.55 1.27 -0.07 4.05 2.04 -0.52 -2.52 117.51 121.21 1yaj h ILE 421 Ca 0.00 -1.27 0.02 0.00 1.00 0.00 0.00 64.86 64.61 1yaj h ILE 421 Cb 0.57 1.03 -0.00 0.00 -0.74 0.00 0.00 36.82 37.67 1yaj h ILE 421 CO 0.00 0.44 0.16 0.00 0.00 0.00 0.00 178.15 178.75 1yaj h ALA 422 N 0.91 1.43 0.13 1.87 0.00 -1.21 -0.59 119.26 121.80 1yaj h ALA 422 Ca 0.13 -0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.69 1yaj h ALA 422 Cb 0.69 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1yaj h ALA 422 CO 0.05 -0.19 -1.86 -0.44 0.00 0.00 0.00 179.25 176.81 1yaj h ASP 423 N 0.00 0.43 1.17 0.00 5.19 -1.26 -2.10 116.42 119.84 1yaj h ASP 423 Ca 0.03 -0.92 0.00 0.00 -0.62 0.00 0.00 57.03 55.53 1yaj h ASP 423 Cb 0.34 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 39.71 1yaj h ASP 423 CO -0.00 1.81 0.00 0.52 -3.12 0.00 0.00 179.24 178.45 1yaj n VAL 424 N -3.60 0.63 -0.06 -1.35 0.31 -0.90 -0.93 118.33 112.43 1yaj n VAL 424 Ca -0.30 -0.08 -0.05 0.00 -0.01 0.00 0.00 64.34 63.90 1yaj n VAL 424 Cb 1.02 -0.77 -0.02 0.00 -0.91 0.00 0.00 33.84 33.17 1yaj n VAL 424 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 1yaj n MET 425 N -2.15 0.34 -0.09 5.55 2.81 -0.28 -4.81 117.12 118.49 1yaj n MET 425 Ca 0.05 0.27 -0.13 0.00 -1.81 0.00 0.00 57.70 56.08 1yaj n MET 425 Cb 0.35 -1.25 -0.04 0.00 -0.71 0.00 0.00 33.22 31.56 1yaj n MET 425 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 1yaj n PHE 426 N -3.87 0.00 0.00 2.03 3.01 -1.16 -4.53 117.46 112.94 1yaj n PHE 426 Ca -0.08 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.38 1yaj n PHE 426 Cb 0.28 -0.57 0.00 0.00 -0.01 0.00 0.00 39.48 39.18 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 1.54 -2.27 0.19 1.37 0.00 -0.80 0.09 105.19 105.31 1yaj n GLY 427 Ca -0.22 0.49 -0.06 0.00 0.00 0.00 0.00 46.02 46.23 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 0.56 -1.00 1.61 2.07 -1.33 -2.22 116.25 115.95 1yaj h VAL 428 Ca 0.00 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.59 1yaj h VAL 428 Cb 0.00 0.56 -0.07 0.00 -1.52 0.00 0.00 31.29 30.27 1yaj h VAL 428 CO 0.00 0.00 0.64 -0.65 0.02 0.00 0.00 177.57 177.58 1yaj h PRO 429 N -0.05 1.11 0.35 1.57 0.11 -1.73 -1.46 132.00 131.90 1yaj h PRO 429 Ca 0.18 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 66.20 1yaj h PRO 429 Cb 0.32 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 31.19 1yaj h PRO 429 CO -0.40 0.73 -0.17 0.77 -0.21 0.00 0.00 178.00 178.72 1yaj h SER 430 N 1.14 -0.40 -0.70 -2.05 0.02 0.02 -2.36 113.55 109.22 1yaj h SER 430 Ca 0.44 -0.14 0.06 0.00 -0.84 0.00 0.00 61.79 61.31 1yaj h SER 430 Cb 0.21 0.10 -0.06 0.00 0.14 0.00 0.00 62.40 62.80 1yaj h SER 430 CO -0.18 -0.06 0.40 0.58 -1.14 0.00 0.00 176.83 176.43 1yaj h VAL 431 N -0.77 0.98 -0.71 2.27 2.07 -1.24 0.16 116.25 119.01 1yaj h VAL 431 Ca -0.05 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.20 1yaj h VAL 431 Cb 0.51 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 1yaj h VAL 431 CO 0.08 0.13 0.36 0.40 0.02 0.00 0.00 177.57 178.56 1yaj h ILE 432 N 0.73 1.22 -0.45 4.57 2.04 -1.27 0.75 117.51 125.11 1yaj h ILE 432 Ca 0.31 -0.59 -0.12 0.00 1.00 0.00 0.00 64.86 65.46 1yaj h ILE 432 Cb 0.19 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 1yaj h ILE 432 CO -0.18 0.26 -0.19 0.58 0.00 0.00 0.00 178.15 178.62 1yaj h VAL 433 N 0.99 1.27 -0.34 1.67 2.07 -0.74 -0.25 116.25 120.93 1yaj h VAL 433 Ca 0.25 -1.34 -0.12 0.00 0.82 0.00 0.00 66.70 66.31 1yaj h VAL 433 Cb 0.07 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1yaj h VAL 433 CO -0.03 0.46 -0.29 0.00 0.02 0.00 0.00 177.57 177.72 1yaj h ALA 434 N 0.85 0.85 -0.14 1.67 0.00 -0.03 -2.48 119.26 119.99 1yaj h ALA 434 Ca 0.10 -0.40 -0.17 0.00 0.00 0.00 0.00 54.91 54.45 1yaj h ALA 434 Cb 0.76 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 1yaj h ALA 434 CO 0.06 0.63 -0.63 0.00 0.00 0.00 0.00 179.25 179.32 1yaj h ARG 435 N 0.61 0.51 0.00 0.00 3.08 0.77 -2.94 114.38 116.42 1yaj h ARG 435 Ca 0.07 -0.36 -0.04 0.00 0.07 0.00 0.00 59.98 59.73 1yaj h ARG 435 Cb 0.80 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.90 1yaj h ARG 435 CO 0.07 0.98 -0.19 -0.91 -1.07 0.00 0.00 179.97 178.85 1yaj h ASN 436 N 0.38 0.00 -0.05 7.04 -0.26 -0.90 -1.99 115.58 119.80 1yaj h ASN 436 Ca -0.01 0.00 -0.09 0.00 -0.56 0.00 0.00 56.30 55.64 1yaj h ASN 436 Cb 1.18 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.45 1yaj h ASN 436 CO 0.11 0.19 -0.31 -0.74 -1.06 0.00 0.00 177.43 175.62 1yaj h HIS 437 N 0.00 0.40 -0.83 1.19 2.76 -1.40 -2.69 115.15 114.58 1yaj h HIS 437 Ca -0.00 -0.18 0.04 0.00 -2.20 0.00 0.00 60.37 58.03 1yaj h HIS 437 Cb 0.76 -0.06 -0.05 0.00 1.55 0.00 0.00 27.41 29.61 1yaj h HIS 437 CO 0.00 0.93 0.52 -0.09 -1.30 0.00 0.00 177.93 177.99 1yaj h ARG 438 N -0.25 0.96 0.00 5.26 2.43 -1.33 0.06 114.38 121.51 1yaj h ARG 438 Ca -0.03 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.07 1yaj h ARG 438 Cb 0.98 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 30.31 1yaj h ARG 438 CO 0.06 0.64 -0.09 -0.44 -1.51 0.00 0.00 179.97 178.63 1yaj h ASP 439 N 0.99 0.00 1.30 -3.80 3.32 -1.35 -1.44 116.42 115.44 1yaj h ASP 439 Ca 0.34 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.37 1yaj h ASP 439 Cb 0.07 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 1yaj h ASP 439 CO -0.14 0.09 -0.08 0.00 -1.72 0.00 0.00 179.24 177.39 1yaj h ALA 440 N 1.91 0.98 0.00 3.45 0.00 -0.63 -3.47 119.26 121.51 1yaj h ALA 440 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1yaj h ALA 440 Cb 0.34 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1yaj h ALA 440 CO 0.01 0.10 0.00 0.41 0.00 0.00 0.00 179.25 179.77 1yaj n GLY 441 N 0.43 1.13 3.56 0.00 0.00 -0.54 -4.95 105.19 104.81 1yaj n GLY 441 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 1yaj n GLY 441 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yaj s ALA 442 N -2.00 2.90 0.11 4.61 0.00 -1.22 -5.07 121.76 121.09 1yaj s ALA 442 Ca 0.00 -1.15 -0.36 0.00 0.00 0.00 0.00 51.96 50.45 1yaj s ALA 442 Cb 0.00 -0.95 -0.17 0.00 0.00 0.00 0.00 23.12 22.01 1yaj s ALA 442 CO 0.00 0.62 1.22 -2.30 0.00 0.00 0.00 175.76 175.30 1yaj n PRO 443 N 1.20 0.97 -4.09 0.00 -0.02 -1.26 -4.35 135.00 127.46 1yaj n PRO 443 Ca -0.15 0.35 -0.13 0.00 -2.02 0.00 0.00 63.50 61.56 1yaj n PRO 443 Cb 0.52 -1.91 -0.11 0.00 -0.02 0.00 0.00 33.50 31.99 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 0.15 0.59 -0.19 3.45 2.01 -1.26 -2.14 115.64 118.26 1yaj s THR 444 Ca 0.81 -1.29 -0.09 0.00 0.31 0.00 0.00 61.69 61.43 1yaj s THR 444 Cb -0.96 -0.88 0.07 0.00 0.01 0.00 0.00 72.50 70.75 1yaj s THR 444 CO 0.50 -0.49 0.43 -0.31 -0.69 0.00 0.00 174.62 174.06 1yaj s TYR 445 N -1.90 -0.71 0.38 4.92 2.02 -0.99 -0.62 117.35 120.45 1yaj s TYR 445 Ca -0.05 1.43 0.08 0.00 -0.37 0.00 0.00 57.07 58.16 1yaj s TYR 445 Cb -0.06 0.31 -0.04 0.00 -0.40 0.00 0.00 41.96 41.77 1yaj s TYR 445 CO -0.01 -0.41 0.24 -1.64 -1.57 0.00 0.00 175.55 172.17 1yaj s MET 446 N 1.86 2.43 0.12 -0.62 -1.94 -1.26 -1.87 119.30 118.02 1yaj s MET 446 Ca -0.07 -1.58 -0.21 0.00 -1.71 0.00 0.00 55.69 52.12 1yaj s MET 446 Cb -0.09 -2.23 0.06 0.00 2.01 0.00 0.00 34.83 34.57 1yaj s MET 446 CO -0.13 -0.03 0.54 1.52 -0.01 0.00 0.00 175.02 176.90 1yaj s TYR 447 N -2.46 -0.43 -0.09 -0.03 1.13 -1.16 -2.56 117.35 111.74 1yaj s TYR 447 Ca 0.42 0.26 -0.02 0.00 -1.41 0.00 0.00 57.07 56.32 1yaj s TYR 447 Cb -0.02 0.44 0.04 0.00 -1.10 0.00 0.00 41.96 41.32 1yaj s TYR 447 CO 0.25 -0.77 0.03 -2.00 -2.51 0.00 0.00 175.55 170.55 1yaj s GLU 448 N -3.45 0.38 -0.02 -3.49 2.12 0.21 -0.91 118.70 113.53 1yaj s GLU 448 Ca 0.00 0.08 -0.26 0.00 0.36 0.00 0.00 54.97 55.15 1yaj s GLU 448 Cb -0.00 -1.12 -0.04 0.00 0.26 0.00 0.00 34.13 33.23 1yaj s GLU 448 CO -0.10 -0.40 0.81 0.12 -0.54 0.00 0.00 175.26 175.15 1yaj s PHE 449 N 2.03 3.64 -0.47 5.30 5.36 0.22 -1.98 117.98 132.08 1yaj s PHE 449 Ca 0.04 1.46 0.08 0.00 -0.96 0.00 0.00 56.93 57.54 1yaj s PHE 449 Cb -0.13 -2.92 0.26 0.00 -0.34 0.00 0.00 43.02 39.88 1yaj s PHE 449 CO -0.05 0.09 0.61 1.04 -1.46 0.00 0.00 175.22 175.44 1yaj n GLN 450 N 3.62 1.33 -3.66 10.12 6.02 0.38 -0.84 117.38 134.36 1yaj n GLN 450 Ca 0.01 -3.70 -0.14 0.00 -0.01 0.00 0.00 57.00 53.15 1yaj n GLN 450 Cb 0.51 -1.57 -0.08 0.00 1.02 0.00 0.00 30.24 30.12 1yaj n GLN 450 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 1yaj s TYR 451 N -1.69 -0.54 -0.39 1.08 5.04 -1.26 -4.24 117.35 115.35 1yaj s TYR 451 Ca 0.37 1.20 -0.02 0.00 -2.44 0.00 0.00 57.07 56.18 1yaj s TYR 451 Cb 0.18 0.23 0.10 0.00 0.35 0.00 0.00 41.96 42.82 1yaj s TYR 451 CO -0.08 -0.37 0.16 0.50 -1.34 0.00 0.00 175.55 174.42 1yaj s ARG 452 N -0.29 1.94 0.79 4.97 3.52 -1.26 -2.37 118.95 126.25 1yaj s ARG 452 Ca -0.05 -1.78 -0.14 0.00 -0.13 0.00 0.00 55.73 53.63 1yaj s ARG 452 Cb -0.03 -3.48 0.06 0.00 -1.56 0.00 0.00 34.95 29.93 1yaj s ARG 452 CO 0.03 -1.01 1.09 -0.35 -0.81 0.00 0.00 175.30 174.25 1yaj n PRO 453 N 4.53 0.25 -0.18 5.12 -0.04 -1.26 -4.90 135.00 138.53 1yaj n PRO 453 Ca -0.02 0.16 0.03 0.00 -0.04 0.00 0.00 63.50 63.63 1yaj n PRO 453 Cb 0.42 -2.34 0.11 0.00 -0.04 0.00 0.00 33.50 31.64 1yaj n PRO 453 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1yaj n SER 454 N -2.70 1.69 -1.03 3.54 3.41 -1.26 -3.67 113.62 113.61 1yaj n SER 454 Ca 0.13 -2.10 0.12 0.00 -0.26 0.00 0.00 58.87 56.76 1yaj n SER 454 Cb 0.50 -0.30 0.14 0.00 -0.26 0.00 0.00 64.21 64.30 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 0.19 0.18 -1.14 7.33 3.01 -1.26 -4.99 117.46 120.78 1yaj n PHE 455 Ca 0.08 -0.09 -0.29 0.00 1.01 0.00 0.00 57.45 58.16 1yaj n PHE 455 Cb 0.32 -0.00 0.16 0.00 -0.01 0.00 0.00 39.48 39.95 1yaj n PHE 455 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 1yaj s SER 456 N -1.80 2.96 1.05 4.37 0.01 -1.24 -5.05 113.70 114.01 1yaj s SER 456 Ca 0.32 1.38 -0.04 0.00 1.31 0.00 0.00 55.95 58.91 1yaj s SER 456 Cb 0.21 -2.05 0.06 0.00 0.21 0.00 0.00 66.02 64.45 1yaj s SER 456 CO 0.30 -2.94 0.22 -1.20 0.41 0.00 0.00 173.24 170.03 1yaj n SER 457 N -4.07 -1.33 -0.08 2.44 7.64 -1.26 -4.99 113.62 111.97 1yaj n SER 457 Ca 0.06 -0.59 -0.10 0.00 1.01 0.00 0.00 58.87 59.25 1yaj n SER 457 Cb 0.56 -0.20 -0.15 0.00 -1.01 0.00 0.00 64.21 63.41 1yaj n SER 457 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1yaj n ASP 458 N -3.39 0.33 -0.42 6.43 8.00 -1.26 -4.11 116.55 122.14 1yaj n ASP 458 Ca 0.03 0.13 0.00 0.00 0.71 0.00 0.00 54.79 55.66 1yaj n ASP 458 Cb 0.12 0.62 0.00 0.00 -0.02 0.00 0.00 41.12 41.84 1yaj n ASP 458 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1yaj n MET 459 N -2.86 0.87 -3.80 -1.24 2.81 -1.26 -4.74 117.12 106.90 1yaj n MET 459 Ca -0.28 0.00 -0.36 0.00 -1.81 0.00 0.00 57.70 55.25 1yaj n MET 459 Cb 1.12 -1.36 -0.13 0.00 -0.71 0.00 0.00 33.22 32.14 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 -1.16 3.39 0.14 0.03 2.20 -1.26 -5.07 119.74 118.01 1yaj s LYS 460 Ca 0.00 -0.64 -0.34 0.00 -0.36 0.00 0.00 55.97 54.63 1yaj s LYS 460 Cb 0.00 -3.24 -0.14 0.00 -1.51 0.00 0.00 37.83 32.94 1yaj s LYS 460 CO 0.00 -0.27 1.59 -0.35 -0.36 0.00 0.00 175.35 175.95 1yaj n PRO 461 N 4.87 2.10 0.00 4.03 -0.04 -1.26 -4.81 135.00 139.89 1yaj n PRO 461 Ca -0.16 0.76 0.00 0.00 -0.04 0.00 0.00 63.50 64.06 1yaj n PRO 461 Cb 0.50 -2.53 0.00 0.00 -0.04 0.00 0.00 33.50 31.43 1yaj n PRO 461 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1yaj n LYS 462 N 3.58 0.64 -0.03 0.54 5.02 -1.26 -2.40 118.16 124.24 1yaj n LYS 462 Ca 0.17 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.48 1yaj n LYS 462 Cb 0.28 -1.21 0.02 0.00 -0.02 0.00 0.00 35.03 34.10 1yaj n LYS 462 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1yaj n THR 463 N 0.57 0.94 -3.69 -0.18 5.66 -1.26 -4.97 114.28 111.35 1yaj n THR 463 Ca 0.00 -1.00 -0.39 0.00 -3.05 0.00 0.00 64.05 59.61 1yaj n THR 463 Cb 0.28 0.46 -0.11 0.00 -1.55 0.00 0.00 70.33 69.41 1yaj n THR 463 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1yaj s VAL 464 N -1.10 3.91 -0.34 1.08 1.01 -1.01 -5.05 120.40 118.90 1yaj s VAL 464 Ca 0.05 -1.41 -0.10 0.00 0.00 0.00 0.00 61.98 60.53 1yaj s VAL 464 Cb 0.05 -3.37 0.01 0.00 0.00 0.00 0.00 36.38 33.07 1yaj s VAL 464 CO 0.00 -0.41 0.17 -0.63 0.00 0.00 0.00 175.10 174.23 1yaj s ILE 465 N 1.37 4.48 0.00 2.22 1.01 -1.26 -4.53 121.20 124.49 1yaj s ILE 465 Ca 0.02 -0.71 0.00 0.00 0.00 0.00 0.00 60.65 59.96 1yaj s ILE 465 Cb -0.22 -3.41 0.00 0.00 0.01 0.00 0.00 42.46 38.84 1yaj s ILE 465 CO 0.01 -0.10 0.00 0.61 0.00 0.00 0.00 174.94 175.47 1yaj n GLY 466 N 4.97 0.49 3.79 6.18 0.00 -1.00 -3.93 105.19 115.69 1yaj n GLY 466 Ca -0.13 -0.17 -0.29 0.00 0.00 0.00 0.00 46.02 45.43 1yaj n GLY 466 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1yaj s ASP 467 N -1.69 3.40 0.15 1.61 2.15 -1.26 -0.40 116.67 120.62 1yaj s ASP 467 Ca 0.00 0.88 -0.33 0.00 0.43 0.00 0.00 52.55 53.53 1yaj s ASP 467 Cb 0.00 -1.39 -0.13 0.00 -0.30 0.00 0.00 42.92 41.10 1yaj s ASP 467 CO 0.00 -2.61 1.68 1.57 -0.17 0.00 0.00 175.17 175.63 1yaj n HIS 468 N -3.79 2.45 -0.64 -5.34 -0.00 -1.24 -2.32 115.22 104.34 1yaj n HIS 468 Ca 0.08 0.13 0.00 0.00 -0.00 0.00 0.00 57.72 57.92 1yaj n HIS 468 Cb 0.59 -2.61 0.00 0.00 -0.00 0.00 0.00 29.99 27.97 1yaj n HIS 468 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1yaj n GLY 469 N 3.76 0.98 0.14 1.57 0.00 -1.26 -4.86 105.19 105.51 1yaj n GLY 469 Ca 0.17 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.27 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 0.00 0.41 0.12 1.61 8.00 -0.98 0.82 116.55 126.52 1yaj n ASP 470 Ca 0.00 0.64 0.00 0.00 0.71 0.00 0.00 54.79 56.15 1yaj n ASP 470 Cb 0.00 -0.66 -0.01 0.00 -0.02 0.00 0.00 41.12 40.42 1yaj n ASP 470 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 1yaj h GLU 471 N 0.00 0.00 0.00 -1.24 9.09 -1.89 -3.22 114.58 117.31 1yaj h GLU 471 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1yaj h GLU 471 Cb 0.23 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.33 1yaj h GLU 471 CO 0.00 0.58 0.11 1.28 0.05 0.00 0.00 179.01 181.03 1yaj n LEU 472 N -3.22 0.00 -0.02 3.06 4.77 0.24 0.33 117.00 122.15 1yaj n LEU 472 Ca 0.01 0.29 0.07 0.00 -0.03 0.00 0.00 56.01 56.35 1yaj n LEU 472 Cb 0.79 -0.29 -0.16 0.00 -2.33 0.00 0.00 43.42 41.43 1yaj n LEU 472 CO 0.42 -0.29 -0.78 0.49 -1.33 0.00 0.00 177.39 175.90 1yaj n PHE 473 N -1.26 0.08 1.07 -1.77 3.01 -1.22 -3.31 117.46 114.06 1yaj n PHE 473 Ca 0.00 0.02 0.12 0.00 1.01 0.00 0.00 57.45 58.60 1yaj n PHE 473 Cb 0.11 -0.63 0.11 0.00 -0.01 0.00 0.00 39.48 39.06 1yaj n PHE 473 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1yaj n SER 474 N -2.38 1.86 -0.12 4.37 7.64 0.15 -1.85 113.62 123.28 1yaj n SER 474 Ca -0.09 -1.41 -0.16 0.00 1.01 0.00 0.00 58.87 58.22 1yaj n SER 474 Cb 0.68 0.35 -0.12 0.00 -1.01 0.00 0.00 64.21 64.11 1yaj n SER 474 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1yaj n VAL 475 N -0.06 1.42 -0.89 0.44 0.31 -0.40 -3.84 118.33 115.30 1yaj n VAL 475 Ca 0.11 -0.58 -0.01 0.00 -0.01 0.00 0.00 64.34 63.85 1yaj n VAL 475 Cb 0.45 -1.27 0.33 0.00 -0.91 0.00 0.00 33.84 32.44 1yaj n VAL 475 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1yaj n PHE 476 N -3.17 2.24 -3.76 3.52 3.01 -1.21 -4.72 117.46 113.38 1yaj n PHE 476 Ca -0.43 -0.98 -0.23 0.00 1.01 0.00 0.00 57.45 56.82 1yaj n PHE 476 Cb 0.99 -0.61 0.02 0.00 -0.01 0.00 0.00 39.48 39.87 1yaj n PHE 476 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1yaj n GLY 477 N 0.17 -0.37 0.36 1.37 0.00 -1.24 -4.29 105.19 101.19 1yaj n GLY 477 Ca 0.34 0.18 -0.04 0.00 0.00 0.00 0.00 46.02 46.51 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 0.83 1.17 0.00 4.61 0.00 -1.60 -1.72 119.26 122.55 1yaj h ALA 478 Ca -0.62 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.15 1yaj h ALA 478 Cb 1.36 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1yaj h ALA 478 CO 0.57 0.66 0.21 -2.30 0.00 0.00 0.00 179.25 178.38 1yaj n PRO 479 N -4.33 0.09 -0.26 0.00 -0.02 -1.26 -0.32 135.00 128.89 1yaj n PRO 479 Ca 0.09 0.55 0.07 0.00 -2.02 0.00 0.00 63.50 62.20 1yaj n PRO 479 Cb 0.10 -1.99 0.20 0.00 -0.02 0.00 0.00 33.50 31.80 1yaj n PRO 479 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1yaj n PHE 480 N -1.99 0.66 0.00 6.00 3.01 -0.65 -4.49 117.46 120.01 1yaj n PHE 480 Ca -0.01 -0.55 0.00 0.00 1.01 0.00 0.00 57.45 57.91 1yaj n PHE 480 Cb 0.23 -0.07 0.00 0.00 -0.01 0.00 0.00 39.48 39.63 1yaj n PHE 480 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1yaj n LEU 481 N 0.63 0.36 -5.01 4.37 4.77 0.56 -5.00 117.00 117.69 1yaj n LEU 481 Ca 0.16 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.96 1yaj n LEU 481 Cb 0.54 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.64 1yaj n LEU 481 CO 0.11 0.06 0.17 -0.54 -1.33 0.00 0.00 177.39 175.87 1yaj s LYS 482 N -1.44 2.79 0.28 3.23 1.02 0.27 -3.58 119.74 122.31 1yaj s LYS 482 Ca 0.00 -1.20 0.05 0.00 0.02 0.00 0.00 55.97 54.85 1yaj s LYS 482 Cb 0.00 -2.73 -0.02 0.00 -0.52 0.00 0.00 37.83 34.56 1yaj s LYS 482 CO 0.00 -0.32 0.41 -1.21 -0.92 0.00 0.00 175.35 173.31 1yaj s GLU 483 N -4.40 3.31 0.00 1.68 2.02 -1.26 -4.62 118.70 115.43 1yaj s GLU 483 Ca 0.55 -0.85 0.00 0.00 0.02 0.00 0.00 54.97 54.69 1yaj s GLU 483 Cb -0.10 -2.85 0.00 0.00 0.10 0.00 0.00 34.13 31.28 1yaj s GLU 483 CO 0.34 0.27 0.00 0.41 0.02 0.00 0.00 175.26 176.30 1yaj n GLY 484 N -1.52 2.28 0.00 -1.39 0.00 -1.26 -4.99 105.19 98.31 1yaj n GLY 484 Ca -0.05 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.49 1yaj n GLY 484 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yaj n ALA 485 N 0.00 0.00 -1.84 4.61 0.00 -1.26 -4.85 120.51 117.16 1yaj n ALA 485 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 1yaj n ALA 485 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1yaj n ALA 485 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1yaj s SER 486 N 0.00 6.60 0.36 0.00 1.04 -1.26 -4.83 113.70 115.61 1yaj s SER 486 Ca 0.00 1.56 0.10 0.00 0.48 0.00 0.00 55.95 58.10 1yaj s SER 486 Cb 0.00 -2.51 0.86 0.00 0.10 0.00 0.00 66.02 64.48 1yaj s SER 486 CO 0.00 -0.60 1.84 -0.08 0.98 0.00 0.00 173.24 175.38 1yaj h GLU 487 N 0.85 0.62 -0.27 4.02 4.57 -1.98 0.18 114.58 122.57 1yaj h GLU 487 Ca -0.47 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.68 1yaj h GLU 487 Cb 1.18 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 29.62 1yaj h GLU 487 CO 0.61 0.41 0.17 1.49 -1.18 0.00 0.00 179.01 180.52 1yaj h GLU 488 N 0.64 0.36 0.00 1.92 4.81 -1.99 0.26 114.58 120.59 1yaj h GLU 488 Ca 0.49 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.68 1yaj h GLU 488 Cb 0.88 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.18 1yaj h GLU 488 CO -0.24 0.26 -0.03 1.49 -0.73 0.00 0.00 179.01 179.76 1yaj h GLU 489 N 0.36 0.00 0.11 1.92 4.81 -1.30 -0.88 114.58 119.59 1yaj h GLU 489 Ca 0.10 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.15 1yaj h GLU 489 Cb -0.02 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.37 1yaj h GLU 489 CO -0.02 0.03 -0.85 0.82 -0.73 0.00 0.00 179.01 178.26 1yaj h ILE 490 N 0.00 1.42 -0.18 2.32 2.04 -0.04 -3.12 117.51 119.95 1yaj h ILE 490 Ca -0.00 -2.46 -0.05 0.00 1.00 0.00 0.00 64.86 63.35 1yaj h ILE 490 Cb 0.51 3.07 -0.01 0.00 -0.74 0.00 0.00 36.82 39.65 1yaj h ILE 490 CO 0.00 0.68 -0.10 -0.09 0.00 0.00 0.00 178.15 178.64 1yaj h ARG 491 N -0.48 0.28 0.55 2.37 2.43 -0.12 -2.14 114.38 117.26 1yaj h ARG 491 Ca -0.17 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 58.91 1yaj h ARG 491 Cb 1.56 -0.04 0.01 0.00 -0.42 0.00 0.00 29.97 31.07 1yaj h ARG 491 CO 0.09 0.39 -0.26 1.25 -1.51 0.00 0.00 179.97 179.93 1yaj h LEU 492 N 0.27 -0.62 -0.62 3.80 5.85 -1.28 -2.82 115.31 119.89 1yaj h LEU 492 Ca 0.06 -0.05 0.13 0.00 0.84 0.00 0.00 57.88 58.86 1yaj h LEU 492 Cb 0.35 0.16 -0.10 0.00 0.37 0.00 0.00 40.66 41.45 1yaj h LEU 492 CO 0.02 -0.26 0.05 -1.28 -0.34 0.00 0.00 178.44 176.64 1yaj h SER 493 N -1.05 -0.17 -0.03 1.25 0.87 -1.46 0.07 113.55 113.03 1yaj h SER 493 Ca -0.08 0.14 0.01 0.00 -1.23 0.00 0.00 61.79 60.63 1yaj h SER 493 Cb 0.63 0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 62.82 1yaj h SER 493 CO 0.12 -0.07 0.02 0.50 -0.53 0.00 0.00 176.83 176.87 1yaj h LYS 494 N 0.17 0.02 -0.03 2.24 3.64 -1.41 -1.91 116.57 119.28 1yaj h LYS 494 Ca 0.33 -0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.53 1yaj h LYS 494 Cb 0.52 -0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.35 1yaj h LYS 494 CO -0.49 0.01 -0.65 1.98 -2.27 0.00 0.00 179.45 178.03 1yaj h MET 495 N 0.02 0.49 0.15 1.90 4.05 -0.74 -2.78 114.93 118.03 1yaj h MET 495 Ca 0.01 -0.49 -0.01 0.00 -0.28 0.00 0.00 59.70 58.94 1yaj h MET 495 Cb 0.03 0.13 0.00 0.00 -0.80 0.00 0.00 31.60 30.96 1yaj h MET 495 CO -0.00 1.13 -0.07 0.28 0.23 0.00 0.00 176.91 178.48 1yaj h VAL 496 N 0.05 0.97 -0.52 -5.77 2.07 -1.00 -0.99 116.25 111.05 1yaj h VAL 496 Ca -0.07 -0.54 0.15 0.00 0.82 0.00 0.00 66.70 67.05 1yaj h VAL 496 Cb 1.34 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 32.39 1yaj h VAL 496 CO 0.13 0.13 0.45 0.24 0.02 0.00 0.00 177.57 178.54 1yaj h MET 497 N -0.47 0.00 -0.00 1.57 2.07 -1.46 0.96 114.93 117.60 1yaj h MET 497 Ca -0.02 0.00 -0.00 0.00 -2.07 0.00 0.00 59.70 57.61 1yaj h MET 497 Cb 0.36 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.09 1yaj h MET 497 CO 0.03 0.00 -0.00 0.87 1.07 0.00 0.00 176.91 178.88 1yaj h LYS 498 N 0.00 0.00 -0.22 1.72 1.79 -1.15 -1.33 116.57 117.39 1yaj h LYS 498 Ca 0.25 -0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.73 1yaj h LYS 498 Cb 1.14 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.77 1yaj h LYS 498 CO -0.00 0.76 0.10 0.74 -1.08 0.00 0.00 179.45 179.97 1yaj h PHE 499 N -0.76 0.19 0.71 -1.35 0.05 0.50 0.18 116.94 116.46 1yaj h PHE 499 Ca -0.00 0.01 -0.03 0.00 3.82 0.00 0.00 57.97 61.77 1yaj h PHE 499 Cb 0.76 -0.05 0.00 0.00 2.00 0.00 0.00 35.95 38.66 1yaj h PHE 499 CO 0.19 0.10 -0.37 -1.49 -0.18 0.00 0.00 178.31 176.56 1yaj h TRP 500 N 0.22 -0.98 -0.50 -0.55 -0.00 0.76 0.45 115.95 115.35 1yaj h TRP 500 Ca 0.09 -0.02 0.07 0.00 -0.00 0.00 0.00 58.89 59.04 1yaj h TRP 500 Cb 0.03 0.33 -0.06 0.00 -0.00 0.00 0.00 29.16 29.46 1yaj h TRP 500 CO -0.10 -0.59 0.16 0.00 -0.00 0.00 0.00 178.44 177.91 1yaj h ALA 501 N -0.73 0.60 -0.80 1.49 0.00 -1.14 -0.68 119.26 118.01 1yaj h ALA 501 Ca -0.09 0.08 0.11 0.00 0.00 0.00 0.00 54.91 55.01 1yaj h ALA 501 Cb 0.78 0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.56 1yaj h ALA 501 CO 0.14 -0.25 0.42 -0.91 0.00 0.00 0.00 179.25 178.65 1yaj h ASN 502 N 0.32 0.54 -0.23 0.00 2.35 -0.37 0.17 115.58 118.36 1yaj h ASN 502 Ca 0.25 0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 56.06 1yaj h ASN 502 Cb 0.29 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 1yaj h ASN 502 CO -0.27 0.28 0.10 0.15 -1.65 0.00 0.00 177.43 176.04 1yaj h PHE 503 N 0.66 0.33 -0.51 1.19 3.57 0.13 -0.97 116.94 121.35 1yaj h PHE 503 Ca 0.41 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.93 1yaj h PHE 503 Cb 0.48 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.09 1yaj h PHE 503 CO -0.09 0.34 0.34 0.00 -2.23 0.00 0.00 178.31 176.67 1yaj h ALA 504 N 0.96 1.78 0.05 2.41 0.00 0.01 1.87 119.26 126.35 1yaj h ALA 504 Ca 0.08 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1yaj h ALA 504 Cb 0.14 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1yaj h ALA 504 CO -0.01 0.15 -0.03 0.00 0.00 0.00 0.00 179.25 179.37 1yaj h ARG 505 N 0.55 -0.07 -0.02 0.00 3.08 -0.44 -3.41 114.38 114.08 1yaj h ARG 505 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.26 1yaj h ARG 505 Cb 0.14 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.21 1yaj h ARG 505 CO -0.05 -0.04 -0.14 0.09 -1.07 0.00 0.00 179.97 178.75 1yaj n ASN 506 N -3.16 2.56 0.00 7.04 3.02 -0.39 -4.95 115.26 119.38 1yaj n ASN 506 Ca -0.01 -1.80 0.00 0.00 -0.03 0.00 0.00 54.58 52.74 1yaj n ASN 506 Cb 0.03 0.13 0.00 0.00 -0.61 0.00 0.00 39.78 39.33 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 1.36 0.52 2.92 7.41 0.00 0.64 -4.99 105.19 113.05 1yaj n GLY 507 Ca 0.13 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.21 1.38 0.54 1.61 3.84 -1.23 -4.90 114.94 113.97 1yaj s ASN 508 Ca 0.00 -0.19 0.32 0.00 0.21 0.00 0.00 52.86 53.19 1yaj s ASN 508 Cb 0.00 -0.60 1.49 0.00 -0.55 0.00 0.00 41.25 41.59 1yaj s ASN 508 CO 0.00 -0.05 2.05 1.55 -2.79 0.00 0.00 177.10 177.87 1yaj h PRO 509 N 7.32 0.00 -7.28 0.43 0.13 -1.79 -2.86 132.00 127.95 1yaj h PRO 509 Ca -0.33 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.29 1yaj h PRO 509 Cb 1.16 0.00 0.17 0.00 0.13 0.00 0.00 31.00 32.46 1yaj h PRO 509 CO 0.45 0.08 0.23 -0.80 -0.23 0.00 0.00 178.00 177.73 1yaj s ASN 510 N -5.86 3.21 0.00 1.44 0.01 -1.26 -4.35 114.94 108.13 1yaj s ASN 510 Ca -0.01 1.88 0.00 0.00 -0.71 0.00 0.00 52.86 54.02 1yaj s ASN 510 Cb 0.11 -2.45 0.00 0.00 0.41 0.00 0.00 41.25 39.32 1yaj s ASN 510 CO 0.55 -2.87 0.00 0.61 -1.51 0.00 0.00 177.10 173.89 1yaj n GLY 511 N -0.35 -1.27 3.77 0.66 0.00 -1.26 -4.87 105.19 101.87 1yaj n GLY 511 Ca 0.09 -0.92 -0.36 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.55 3.59 -1.44 1.61 2.02 -1.26 -3.49 118.70 119.18 1yaj s GLU 512 Ca 0.00 1.72 -0.05 0.00 0.02 0.00 0.00 54.97 56.67 1yaj s GLU 512 Cb 0.00 -2.25 0.02 0.00 0.10 0.00 0.00 34.13 32.00 1yaj s GLU 512 CO 0.00 -0.68 0.42 0.41 0.02 0.00 0.00 175.26 175.43 1yaj n GLY 513 N 0.35 -0.51 2.94 -1.39 0.00 -1.26 -4.98 105.19 100.34 1yaj n GLY 513 Ca 0.09 0.09 -0.17 0.00 0.00 0.00 0.00 46.02 46.02 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 -6.41 1.76 1.09 0.99 1.43 -1.23 -5.09 118.68 111.22 1yaj s LEU 514 Ca 0.25 -0.11 -0.16 0.00 -1.03 0.00 0.00 54.13 53.09 1yaj s LEU 514 Cb -0.12 -0.34 0.13 0.00 0.03 0.00 0.00 46.19 45.89 1yaj s LEU 514 CO 0.31 0.03 0.37 -2.65 0.23 0.00 0.00 176.35 174.64 1yaj n PRO 515 N 3.33 -1.47 -3.09 1.29 -0.02 -1.26 -4.80 135.00 128.98 1yaj n PRO 515 Ca -0.18 -0.40 -0.39 0.00 -2.02 0.00 0.00 63.50 60.51 1yaj n PRO 515 Cb 0.55 -1.87 -0.05 0.00 -0.02 0.00 0.00 33.50 32.11 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 -2.33 3.72 -0.35 6.00 2.46 -1.26 -4.86 115.29 118.67 1yaj s HIS 516 Ca 0.60 1.35 0.02 0.00 0.47 0.00 0.00 55.06 57.49 1yaj s HIS 516 Cb -0.17 -2.71 0.10 0.00 -0.13 0.00 0.00 32.58 29.66 1yaj s HIS 516 CO 0.66 0.33 0.09 -0.46 -2.47 0.00 0.00 174.74 172.89 1yaj s TRP 517 N -0.22 3.66 0.55 3.88 -0.11 -1.26 -4.39 118.94 121.06 1yaj s TRP 517 Ca 0.35 -2.73 -0.19 0.00 1.22 0.00 0.00 56.10 54.74 1yaj s TRP 517 Cb -0.20 -2.92 -0.05 0.00 -1.50 0.00 0.00 33.47 28.80 1yaj s TRP 517 CO 0.20 -0.95 1.14 -1.25 -4.62 0.00 0.00 176.95 171.48 1yaj s PRO 518 N 1.00 3.27 0.21 5.86 0.04 -1.26 -4.85 135.00 139.28 1yaj s PRO 518 Ca 0.08 1.65 -0.30 0.00 0.04 0.00 0.00 61.00 62.47 1yaj s PRO 518 Cb -0.20 -1.99 -0.08 0.00 0.04 0.00 0.00 34.50 32.26 1yaj s PRO 518 CO -0.06 -0.92 1.16 -2.00 0.04 0.00 0.00 177.00 175.22 1yaj s GLU 519 N -3.31 4.54 -0.46 4.56 2.12 -1.26 -4.58 118.70 120.31 1yaj s GLU 519 Ca 0.74 1.84 -0.24 0.00 0.36 0.00 0.00 54.97 57.67 1yaj s GLU 519 Cb -0.25 -3.23 -0.23 0.00 0.26 0.00 0.00 34.13 30.68 1yaj s GLU 519 CO 0.28 0.00 1.78 0.98 -0.54 0.00 0.00 175.26 177.76 1yaj n TYR 520 N 2.12 1.07 -0.33 5.30 9.36 0.21 -4.16 117.16 130.74 1yaj n TYR 520 Ca 0.03 -1.27 0.00 0.00 3.32 0.00 0.00 57.90 59.97 1yaj n TYR 520 Cb 0.45 -1.30 0.00 0.00 -0.63 0.00 0.00 39.34 37.85 1yaj n TYR 520 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 1yaj n ASN 521 N 7.84 0.00 -0.04 2.98 6.94 -1.26 -4.73 115.26 126.99 1yaj n ASN 521 Ca 0.47 0.00 -0.06 0.00 -0.02 0.00 0.00 54.58 54.96 1yaj n ASN 521 Cb 0.39 0.00 0.12 0.00 -2.36 0.00 0.00 39.78 37.93 1yaj n ASN 521 CO 0.00 0.00 0.00 -0.61 -1.03 0.00 0.00 177.26 175.62 1yaj h GLN 522 N 0.00 0.64 0.00 -3.83 -0.00 -1.99 -2.40 115.11 107.53 1yaj h GLN 522 Ca 0.00 -0.27 0.00 0.00 -0.00 0.00 0.00 58.65 58.38 1yaj h GLN 522 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 27.48 27.46 1yaj h GLN 522 CO 0.00 0.85 0.00 1.63 0.00 0.00 0.00 178.83 181.31 1yaj n LYS 523 N -4.09 0.14 -3.58 1.69 5.02 -1.26 -4.91 118.16 111.16 1yaj n LYS 523 Ca -0.01 0.18 -0.27 0.00 -2.02 0.00 0.00 58.31 56.19 1yaj n LYS 523 Cb 0.45 -1.50 0.05 0.00 -0.02 0.00 0.00 35.03 34.01 1yaj n LYS 523 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1yaj n GLU 524 N -1.36 -1.41 -3.64 1.97 1.02 -0.90 -4.29 120.64 112.02 1yaj n GLU 524 Ca 0.06 0.57 -0.36 0.00 -0.02 0.00 0.00 57.16 57.41 1yaj n GLU 524 Cb 0.14 -4.45 -0.06 0.00 -0.02 0.00 0.00 31.44 27.05 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 -3.42 2.33 0.28 0.62 0.00 -1.26 -0.20 107.32 105.67 1yaj s GLY 525 Ca 0.45 -0.42 0.03 0.00 0.00 0.00 0.00 44.72 44.79 1yaj s GLY 525 CO 0.84 -0.16 0.19 -2.52 0.00 0.00 0.00 173.10 171.45 1yaj s TYR 526 N -1.23 1.51 -0.05 1.90 -0.85 -1.23 -3.72 117.35 113.68 1yaj s TYR 526 Ca 0.26 -1.48 0.03 0.00 -0.52 0.00 0.00 57.07 55.37 1yaj s TYR 526 Cb -0.14 -0.71 -0.03 0.00 0.38 0.00 0.00 41.96 41.46 1yaj s TYR 526 CO 0.14 -0.68 -0.12 -1.17 -1.52 0.00 0.00 175.55 172.20 1yaj s LEU 527 N -3.30 2.86 -0.82 -3.49 2.96 -1.06 -1.49 118.68 114.33 1yaj s LEU 527 Ca 0.38 -0.15 -0.07 0.00 -0.22 0.00 0.00 54.13 54.08 1yaj s LEU 527 Cb 0.05 -1.60 0.21 0.00 0.50 0.00 0.00 46.19 45.35 1yaj s LEU 527 CO 0.19 0.35 0.72 -1.10 -1.32 0.00 0.00 176.35 175.19 1yaj s GLN 528 N -0.80 3.28 0.13 1.98 -0.21 -0.65 -0.62 119.66 122.77 1yaj s GLN 528 Ca 0.12 -2.82 -0.30 0.00 0.02 0.00 0.00 55.36 52.38 1yaj s GLN 528 Cb -0.11 -4.10 -0.07 0.00 1.00 0.00 0.00 33.01 29.73 1yaj s GLN 528 CO 0.01 -1.24 1.20 0.42 -2.12 0.00 0.00 175.29 173.56 1yaj s ILE 529 N -0.53 3.76 -0.00 1.08 1.09 -0.84 -3.04 121.20 122.72 1yaj s ILE 529 Ca 0.22 1.38 0.00 0.00 -1.10 0.00 0.00 60.65 61.15 1yaj s ILE 529 Cb -0.13 -3.88 0.00 0.00 -1.06 0.00 0.00 42.46 37.39 1yaj s ILE 529 CO -0.08 0.17 0.00 0.61 -0.10 0.00 0.00 174.94 175.54 1yaj n GLY 530 N 2.67 -0.64 0.30 6.18 0.00 -1.26 -0.47 105.19 111.97 1yaj n GLY 530 Ca 0.06 -0.62 -0.09 0.00 0.00 0.00 0.00 46.02 45.38 1yaj n GLY 530 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yaj h ALA 531 N 0.00 -0.20 -3.17 4.61 0.00 -1.93 -3.28 119.26 115.29 1yaj h ALA 531 Ca 0.00 0.07 -0.69 0.00 0.00 0.00 0.00 54.91 54.28 1yaj h ALA 531 Cb 0.00 0.57 -0.33 0.00 0.00 0.00 0.00 17.79 18.03 1yaj h ALA 531 CO 0.00 -0.71 -0.57 -0.80 0.00 0.00 0.00 179.25 177.17 1yaj s ASN 532 N -5.01 5.23 0.05 0.00 0.01 -1.26 -5.00 114.94 108.95 1yaj s ASN 532 Ca -0.15 -1.83 -0.17 0.00 -0.71 0.00 0.00 52.86 50.01 1yaj s ASN 532 Cb 0.12 -1.82 -0.06 0.00 0.41 0.00 0.00 41.25 39.89 1yaj s ASN 532 CO 0.67 -0.49 0.49 -0.89 -1.51 0.00 0.00 177.10 175.38 1yaj s THR 533 N 1.19 4.88 0.03 1.60 2.01 -1.24 -4.90 115.64 119.21 1yaj s THR 533 Ca 0.05 1.00 -0.27 0.00 0.31 0.00 0.00 61.69 62.78 1yaj s THR 533 Cb -0.22 -3.80 0.09 0.00 0.01 0.00 0.00 72.50 68.58 1yaj s THR 533 CO -0.03 0.53 0.80 0.00 -0.69 0.00 0.00 174.62 175.23 1yaj s GLN 534 N -1.19 0.95 0.47 4.92 0.00 -1.17 -4.97 119.66 118.67 1yaj s GLN 534 Ca 0.28 -0.27 -0.19 0.00 -0.00 0.00 0.00 55.36 55.17 1yaj s GLN 534 Cb -0.18 0.44 -0.10 0.00 0.00 0.00 0.00 33.01 33.18 1yaj s GLN 534 CO 0.17 -0.40 0.97 0.00 0.00 0.00 0.00 175.29 176.03 1yaj s ALA 535 N -2.99 3.03 0.00 2.60 0.00 -1.26 -1.64 121.76 121.49 1yaj s ALA 535 Ca 0.02 0.34 0.00 0.00 0.00 0.00 0.00 51.96 52.32 1yaj s ALA 535 Cb -0.01 -3.15 0.00 0.00 0.00 0.00 0.00 23.12 19.96 1yaj s ALA 535 CO -0.08 -0.05 0.00 0.00 0.00 0.00 0.00 175.76 175.63 1yaj n ALA 536 N -1.02 0.00 -3.44 0.00 0.00 -0.55 -4.92 120.51 110.58 1yaj n ALA 536 Ca 0.07 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.38 1yaj n ALA 536 Cb 0.54 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.96 1yaj n ALA 536 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1yaj s GLN 537 N 2.28 1.22 -0.65 0.00 -0.21 -1.26 -3.54 119.66 117.50 1yaj s GLN 537 Ca 0.00 -0.29 -0.02 0.00 0.02 0.00 0.00 55.36 55.07 1yaj s GLN 537 Cb 0.00 0.57 0.00 0.00 1.00 0.00 0.00 33.01 34.58 1yaj s GLN 537 CO 0.00 -0.50 0.49 1.63 -2.12 0.00 0.00 175.29 174.79 1yaj n LYS 538 N -0.05 -1.27 -2.19 2.91 5.02 0.72 -4.86 118.16 118.45 1yaj n LYS 538 Ca -0.18 0.63 -0.42 0.00 -2.02 0.00 0.00 58.31 56.33 1yaj n LYS 538 Cb 0.63 -1.77 -0.03 0.00 -0.02 0.00 0.00 35.03 33.84 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 -4.25 4.40 -0.29 -0.35 2.96 -1.26 -3.07 118.68 116.82 1yaj s LEU 539 Ca 0.02 2.39 0.00 0.00 -0.22 0.00 0.00 54.13 56.32 1yaj s LEU 539 Cb -0.00 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 43.08 1yaj s LEU 539 CO 0.72 -0.58 0.00 0.29 -1.32 0.00 0.00 176.35 175.47 1yaj n LYS 540 N 3.02 -1.91 0.18 1.98 4.76 -1.26 -4.74 118.16 120.20 1yaj n LYS 540 Ca 0.08 0.16 0.05 0.00 -2.87 0.00 0.00 58.31 55.73 1yaj n LYS 540 Cb 0.42 -4.45 0.49 0.00 -1.84 0.00 0.00 35.03 29.66 1yaj n LYS 540 CO 0.00 0.00 0.00 0.22 -1.37 0.00 0.00 177.40 176.25 1yaj h ASP 541 N 0.00 0.10 0.57 4.39 1.82 -1.91 -2.50 116.42 118.89 1yaj h ASP 541 Ca -0.07 -0.01 -0.03 0.00 -0.39 0.00 0.00 57.03 56.53 1yaj h ASP 541 Cb 0.61 -0.03 0.01 0.00 0.68 0.00 0.00 39.33 40.60 1yaj h ASP 541 CO 0.09 0.22 -0.27 0.50 -1.61 0.00 0.00 179.24 178.16 1yaj h LYS 542 N 0.11 -0.74 -0.87 0.28 3.64 -1.85 -2.94 116.57 114.20 1yaj h LYS 542 Ca 0.02 0.05 0.09 0.00 -1.27 0.00 0.00 60.65 59.54 1yaj h LYS 542 Cb 0.25 0.17 -0.07 0.00 -0.41 0.00 0.00 32.23 32.17 1yaj h LYS 542 CO 0.01 -0.49 0.52 0.93 -2.27 0.00 0.00 179.45 178.16 1yaj h GLU 543 N -1.20 0.87 0.41 1.90 3.07 -1.95 -1.49 114.58 116.19 1yaj h GLU 543 Ca -0.08 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 58.72 1yaj h GLU 543 Cb 0.59 -0.20 -0.03 0.00 -0.84 0.00 0.00 28.75 28.28 1yaj h GLU 543 CO 0.13 0.58 -0.51 0.28 -1.40 0.00 0.00 179.01 178.08 1yaj h VAL 544 N 0.90 0.01 -0.97 3.13 2.07 -1.54 0.69 116.25 120.53 1yaj h VAL 544 Ca 0.41 0.00 0.24 0.00 0.82 0.00 0.00 66.70 68.17 1yaj h VAL 544 Cb 0.31 0.01 -0.13 0.00 -1.52 0.00 0.00 31.29 29.96 1yaj h VAL 544 CO -0.22 0.00 0.54 0.00 0.02 0.00 0.00 177.57 177.91 1yaj h ALA 545 N -0.79 1.70 0.46 1.67 0.00 -1.24 0.29 119.26 121.34 1yaj h ALA 545 Ca -0.05 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1yaj h ALA 545 Cb 0.85 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1yaj h ALA 545 CO -0.12 -0.30 -0.22 0.35 0.00 0.00 0.00 179.25 178.97 1yaj h PHE 546 N 0.53 -0.57 -0.48 0.00 3.57 -0.25 -3.07 116.94 116.66 1yaj h PHE 546 Ca 0.62 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 62.21 1yaj h PHE 546 Cb 1.19 0.19 -0.03 0.00 2.79 0.00 0.00 35.95 40.09 1yaj h PHE 546 CO -0.04 -0.32 0.33 -1.49 -2.23 0.00 0.00 178.31 174.56 1yaj h TRP 547 N -1.14 0.23 -0.07 0.41 4.06 0.91 0.31 115.95 120.66 1yaj h TRP 547 Ca -0.06 0.01 -0.06 0.00 2.06 0.00 0.00 58.89 60.83 1yaj h TRP 547 Cb 0.50 -0.07 -0.01 0.00 -1.00 0.00 0.00 29.16 28.58 1yaj h TRP 547 CO 0.01 0.11 -0.26 1.15 -3.56 0.00 0.00 178.44 175.89 1yaj h THR 548 N 0.21 1.22 0.02 1.49 2.02 -0.51 -2.81 112.91 114.55 1yaj h THR 548 Ca 0.22 -1.01 -0.00 0.00 0.77 0.00 0.00 66.41 66.39 1yaj h THR 548 Cb 0.60 1.45 0.00 0.00 -1.74 0.00 0.00 68.15 68.47 1yaj h THR 548 CO -0.04 0.30 -0.01 0.78 0.37 0.00 0.00 175.52 176.92 1yaj h ASN 549 N 0.11 -0.02 -1.11 4.18 2.35 -0.35 -3.28 115.58 117.45 1yaj h ASN 549 Ca 0.02 -0.52 0.31 0.00 -0.55 0.00 0.00 56.30 55.55 1yaj h ASN 549 Cb 0.52 0.01 -0.09 0.00 0.05 0.00 0.00 38.32 38.81 1yaj h ASN 549 CO 0.04 0.73 0.74 0.25 -1.65 0.00 0.00 177.43 177.53 1yaj h LEU 550 N -0.98 0.31 -0.29 1.61 5.85 -1.25 1.21 115.31 121.77 1yaj h LEU 550 Ca -0.00 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1yaj h LEU 550 Cb 0.54 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.60 1yaj h LEU 550 CO 0.00 0.03 0.00 0.49 -0.34 0.00 0.00 178.44 178.63 1yaj n PHE 551 N -4.52 0.00 0.13 1.25 0.99 -1.06 -3.82 117.46 110.42 1yaj n PHE 551 Ca 0.27 0.00 -0.14 0.00 -0.00 0.00 0.00 57.45 57.58 1yaj n PHE 551 Cb 1.04 -0.01 -0.08 0.00 -1.00 0.00 0.00 39.48 39.42 1yaj n PHE 551 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1yaj h ALA 552 N 1.81 -0.30 0.00 4.37 0.00 0.13 -3.51 119.26 121.77 1yaj h ALA 552 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1yaj h ALA 552 Cb 0.07 0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1yaj h ALA 552 CO 0.00 -0.56 0.00 1.17 0.00 0.00 0.00 179.25 179.86