#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yaj s SER 22 N 0.00 6.22 0.37 4.04 0.15 -1.26 -5.05 113.70 118.17 1yaj s SER 22 Ca 0.00 0.24 -0.25 0.00 0.70 0.00 0.00 55.95 56.65 1yaj s SER 22 Cb 0.00 -2.17 -0.13 0.00 -1.71 0.00 0.00 66.02 62.01 1yaj s SER 22 CO 0.00 -0.06 0.71 -2.65 1.20 0.00 0.00 173.24 172.45 1yaj n PRO 23 N 4.74 0.79 -1.84 5.44 -0.02 -1.26 -4.89 135.00 137.97 1yaj n PRO 23 Ca -0.11 0.28 -0.42 0.00 -2.02 0.00 0.00 63.50 61.23 1yaj n PRO 23 Cb 0.51 -1.60 -0.03 0.00 -0.02 0.00 0.00 33.50 32.36 1yaj n PRO 23 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1yaj s PRO 24 N -1.58 4.17 -0.14 0.52 0.02 -1.25 -4.79 135.00 131.95 1yaj s PRO 24 Ca 0.62 2.48 0.00 0.00 0.02 0.00 0.00 61.00 64.13 1yaj s PRO 24 Cb -0.65 -3.10 0.02 0.00 0.02 0.00 0.00 34.50 30.79 1yaj s PRO 24 CO 0.58 -0.66 -0.13 0.08 -0.33 0.00 0.00 177.00 176.55 1yaj s VAL 25 N 0.93 1.42 0.21 3.83 1.01 -1.26 -0.10 120.40 126.44 1yaj s VAL 25 Ca 0.70 -0.54 0.10 0.00 0.00 0.00 0.00 61.98 62.24 1yaj s VAL 25 Cb -0.47 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 1yaj s VAL 25 CO 0.34 0.43 -0.11 -0.69 0.00 0.00 0.00 175.10 175.08 1yaj s VAL 26 N 1.50 3.06 -0.29 2.92 1.01 0.92 -4.91 120.40 124.60 1yaj s VAL 26 Ca 0.04 -1.82 -0.04 0.00 0.00 0.00 0.00 61.98 60.16 1yaj s VAL 26 Cb -0.13 -2.54 0.03 0.00 0.00 0.00 0.00 36.38 33.74 1yaj s VAL 26 CO -0.09 -0.18 0.03 -0.62 0.00 0.00 0.00 175.10 174.23 1yaj s ASP 27 N -3.02 4.88 0.41 3.32 3.68 -1.26 0.30 116.67 124.98 1yaj s ASP 27 Ca 0.26 -0.99 0.08 0.00 2.13 0.00 0.00 52.55 54.03 1yaj s ASP 27 Cb -0.08 -1.77 -0.02 0.00 -1.45 0.00 0.00 42.92 39.59 1yaj s ASP 27 CO 0.15 -0.22 0.36 0.42 0.13 0.00 0.00 175.17 176.02 1yaj s THR 28 N 1.37 2.69 0.35 1.71 -4.23 -0.65 -4.81 115.64 112.07 1yaj s THR 28 Ca -0.01 -1.36 0.11 0.00 -1.18 0.00 0.00 61.69 59.25 1yaj s THR 28 Cb -0.18 -3.01 0.33 0.00 1.34 0.00 0.00 72.50 70.98 1yaj s THR 28 CO -0.00 -0.01 1.80 0.58 -0.54 0.00 0.00 174.62 176.44 1yaj h VAL 29 N 1.06 0.68 -0.01 2.29 2.07 -1.95 -1.69 116.25 118.70 1yaj h VAL 29 Ca -0.42 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 66.89 1yaj h VAL 29 Cb 1.27 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 1yaj h VAL 29 CO 0.58 0.11 -0.28 1.41 0.02 0.00 0.00 177.57 179.41 1yaj n HIS 30 N -4.68 0.00 0.00 1.57 8.25 -1.26 -5.03 115.22 114.07 1yaj n HIS 30 Ca 0.23 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.69 1yaj n HIS 30 Cb 0.64 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.65 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 1.35 3.21 3.79 -1.41 0.00 -0.64 -1.54 105.19 109.95 1yaj n GLY 31 Ca 0.12 -1.55 -0.34 0.00 0.00 0.00 0.00 46.02 44.25 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 -2.16 3.38 -0.04 1.61 1.02 -1.22 -1.63 119.74 120.70 1yaj s LYS 32 Ca 0.00 1.41 0.01 0.00 0.02 0.00 0.00 55.97 57.42 1yaj s LYS 32 Cb 0.00 -2.03 0.02 0.00 -0.52 0.00 0.00 37.83 35.30 1yaj s LYS 32 CO 0.00 -0.79 -0.06 0.08 -0.92 0.00 0.00 175.35 173.66 1yaj s VAL 33 N -2.08 0.65 -0.11 3.17 1.01 0.15 -2.02 120.40 121.17 1yaj s VAL 33 Ca 0.68 -0.21 -0.07 0.00 0.00 0.00 0.00 61.98 62.38 1yaj s VAL 33 Cb -0.19 -0.63 -0.04 0.00 0.00 0.00 0.00 36.38 35.51 1yaj s VAL 33 CO 0.30 0.24 0.14 -0.22 0.00 0.00 0.00 175.10 175.55 1yaj s LEU 34 N 0.70 4.36 0.00 3.92 1.98 0.19 -0.06 118.68 129.78 1yaj s LEU 34 Ca -0.10 0.45 0.00 0.00 -2.89 0.00 0.00 54.13 51.59 1yaj s LEU 34 Cb -0.13 -2.10 0.00 0.00 0.66 0.00 0.00 46.19 44.62 1yaj s LEU 34 CO 0.01 0.40 0.00 0.61 -1.89 0.00 0.00 176.35 175.48 1yaj n GLY 35 N 1.91 5.44 3.18 7.98 0.00 0.86 0.22 105.19 124.77 1yaj n GLY 35 Ca -0.19 -1.66 -0.12 0.00 0.00 0.00 0.00 46.02 44.05 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 0.16 0.85 -0.08 1.61 -2.85 -0.95 -3.92 119.74 114.57 1yaj s LYS 36 Ca 0.00 -1.30 -0.02 0.00 -1.00 0.00 0.00 55.97 53.65 1yaj s LYS 36 Cb 0.00 -0.31 -0.03 0.00 -2.06 0.00 0.00 37.83 35.42 1yaj s LYS 36 CO 0.00 0.01 0.03 -0.06 0.10 0.00 0.00 175.35 175.43 1yaj s PHE 37 N -3.31 3.22 0.01 1.78 2.99 -1.26 -2.10 117.98 119.30 1yaj s PHE 37 Ca 0.11 0.23 0.01 0.00 0.00 0.00 0.00 56.93 57.27 1yaj s PHE 37 Cb 0.03 -1.79 -0.01 0.00 0.00 0.00 0.00 43.02 41.25 1yaj s PHE 37 CO -0.03 0.51 -0.04 0.08 -0.00 0.00 0.00 175.22 175.74 1yaj s VAL 38 N -0.95 0.27 -0.07 -0.44 1.01 -1.00 -4.98 120.40 114.25 1yaj s VAL 38 Ca 0.15 -0.33 0.03 0.00 0.00 0.00 0.00 61.98 61.83 1yaj s VAL 38 Cb -0.11 -0.27 -0.02 0.00 0.00 0.00 0.00 36.38 35.97 1yaj s VAL 38 CO 0.04 -0.04 -0.16 -0.44 0.00 0.00 0.00 175.10 174.50 1yaj s SER 39 N -0.40 3.89 -0.07 3.32 0.01 -1.26 -0.56 113.70 118.62 1yaj s SER 39 Ca -0.02 -0.27 -0.01 0.00 1.31 0.00 0.00 55.95 56.96 1yaj s SER 39 Cb -0.03 -1.00 -0.03 0.00 0.21 0.00 0.00 66.02 65.17 1yaj s SER 39 CO -0.00 0.29 0.00 -0.22 0.41 0.00 0.00 173.24 173.73 1yaj s LEU 40 N -0.42 3.59 -0.34 2.44 2.96 -1.26 -5.01 118.68 120.63 1yaj s LEU 40 Ca 0.05 0.13 -0.28 0.00 -0.22 0.00 0.00 54.13 53.81 1yaj s LEU 40 Cb -0.12 -1.85 -0.07 0.00 0.50 0.00 0.00 46.19 44.65 1yaj s LEU 40 CO 0.02 0.37 2.30 1.21 -1.32 0.00 0.00 176.35 178.92 1yaj n GLU 41 N 2.03 1.52 0.00 1.98 4.07 -1.26 -2.10 120.64 126.89 1yaj n GLU 41 Ca -0.18 0.32 0.00 0.00 -0.06 0.00 0.00 57.16 57.24 1yaj n GLU 41 Cb 0.53 -3.18 0.00 0.00 -0.06 0.00 0.00 31.44 28.73 1yaj n GLU 41 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1yaj n GLY 42 N 5.96 1.19 3.21 8.31 0.00 -1.26 -5.12 105.19 117.47 1yaj n GLY 42 Ca 0.34 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.16 1yaj n GLY 42 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1yaj s PHE 43 N -1.62 1.44 -0.08 1.61 0.40 -0.89 -5.08 117.98 113.76 1yaj s PHE 43 Ca 0.00 -0.43 -0.02 0.00 -0.60 0.00 0.00 56.93 55.88 1yaj s PHE 43 Cb 0.00 -0.81 -0.01 0.00 0.51 0.00 0.00 43.02 42.72 1yaj s PHE 43 CO 0.00 0.11 -0.03 0.00 0.70 0.00 0.00 175.22 176.00 1yaj h ALA 44 N 4.28 0.00 -1.94 5.36 0.00 -2.00 -3.43 119.26 121.53 1yaj h ALA 44 Ca -0.43 -0.10 -0.57 0.00 0.00 0.00 0.00 54.91 53.81 1yaj h ALA 44 Cb 1.19 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.04 1yaj h ALA 44 CO 0.40 0.09 1.23 -1.14 0.00 0.00 0.00 179.25 179.83 1yaj s GLN 45 N -1.51 3.50 0.53 0.00 2.00 -1.26 -4.97 119.66 117.95 1yaj s GLN 45 Ca -0.02 1.55 -0.22 0.00 -2.00 0.00 0.00 55.36 54.67 1yaj s GLN 45 Cb 0.00 -4.15 -0.05 0.00 0.80 0.00 0.00 33.01 29.61 1yaj s GLN 45 CO 0.04 -1.66 1.29 -1.25 -0.50 0.00 0.00 175.29 173.21 1yaj s PRO 46 N 5.32 3.27 0.14 1.67 0.04 -1.26 -4.92 135.00 139.27 1yaj s PRO 46 Ca 0.78 2.06 -0.30 0.00 0.04 0.00 0.00 61.00 63.58 1yaj s PRO 46 Cb -0.24 -2.25 -0.07 0.00 0.04 0.00 0.00 34.50 31.99 1yaj s PRO 46 CO 0.33 -1.03 1.04 0.08 0.04 0.00 0.00 177.00 177.45 1yaj s VAL 47 N -1.40 4.16 -0.44 -0.36 1.01 0.27 -4.81 120.40 118.83 1yaj s VAL 47 Ca 0.70 1.83 -0.24 0.00 0.00 0.00 0.00 61.98 64.27 1yaj s VAL 47 Cb -0.36 -4.17 0.02 0.00 0.00 0.00 0.00 36.38 31.88 1yaj s VAL 47 CO 0.42 0.29 0.84 0.00 0.00 0.00 0.00 175.10 176.65 1yaj s ALA 48 N -0.10 3.29 -0.18 5.51 0.00 -0.35 -2.38 121.76 127.55 1yaj s ALA 48 Ca 0.48 -0.87 -0.08 0.00 0.00 0.00 0.00 51.96 51.49 1yaj s ALA 48 Cb -0.27 -3.52 -0.04 0.00 0.00 0.00 0.00 23.12 19.29 1yaj s ALA 48 CO 0.32 -1.91 0.09 0.42 0.00 0.00 0.00 175.76 174.69 1yaj s ILE 49 N 3.43 5.08 -0.14 0.00 1.01 -0.89 -2.42 121.20 127.26 1yaj s ILE 49 Ca 0.33 0.07 0.00 0.00 0.00 0.00 0.00 60.65 61.05 1yaj s ILE 49 Cb -0.12 -3.30 0.02 0.00 0.01 0.00 0.00 42.46 39.08 1yaj s ILE 49 CO 0.23 0.47 -0.14 -0.36 0.00 0.00 0.00 174.94 175.14 1yaj s PHE 50 N 0.24 2.10 -0.10 3.97 0.40 -0.57 -2.24 117.98 121.78 1yaj s PHE 50 Ca 0.06 -1.16 0.01 0.00 -0.60 0.00 0.00 56.93 55.25 1yaj s PHE 50 Cb -0.12 -1.55 -0.02 0.00 0.51 0.00 0.00 43.02 41.84 1yaj s PHE 50 CO -0.01 -0.64 -0.13 -0.51 0.70 0.00 0.00 175.22 174.63 1yaj s LEU 51 N 1.45 2.75 -0.07 -0.37 1.43 0.26 -0.82 118.68 123.31 1yaj s LEU 51 Ca 0.04 -0.26 -0.00 0.00 -1.03 0.00 0.00 54.13 52.88 1yaj s LEU 51 Cb -0.13 -1.60 0.00 0.00 0.03 0.00 0.00 46.19 44.50 1yaj s LEU 51 CO -0.10 0.25 0.06 0.61 0.23 0.00 0.00 176.35 177.40 1yaj n GLY 52 N 2.98 0.82 3.66 -3.19 0.00 -1.24 -3.61 105.19 104.61 1yaj n GLY 52 Ca -0.18 -0.61 -0.40 0.00 0.00 0.00 0.00 46.02 44.83 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 -3.02 4.98 -0.01 -0.61 1.01 -1.01 -4.85 121.20 117.69 1yaj s ILE 53 Ca 0.03 1.33 -0.30 0.00 0.00 0.00 0.00 60.65 61.71 1yaj s ILE 53 Cb -0.01 -4.01 -0.03 0.00 0.01 0.00 0.00 42.46 38.42 1yaj s ILE 53 CO 0.04 0.09 1.01 -2.16 0.00 0.00 0.00 174.94 173.92 1yaj s PRO 54 N 1.94 4.53 0.00 2.79 0.04 -1.26 -0.56 135.00 142.48 1yaj s PRO 54 Ca 0.32 1.46 0.14 0.00 0.04 0.00 0.00 61.00 62.96 1yaj s PRO 54 Cb -0.16 -3.46 0.26 0.00 0.04 0.00 0.00 34.50 31.18 1yaj s PRO 54 CO 0.11 -0.11 1.15 1.97 0.04 0.00 0.00 177.00 180.16 1yaj n PHE 55 N 4.04 0.31 -3.48 0.56 1.16 -0.92 -4.91 117.46 114.21 1yaj n PHE 55 Ca 0.07 -0.26 -0.13 0.00 -1.87 0.00 0.00 57.45 55.26 1yaj n PHE 55 Cb 0.50 -0.01 -0.03 0.00 -1.61 0.00 0.00 39.48 38.33 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 -1.09 -1.73 0.28 1.98 0.00 -1.25 -4.48 121.76 115.47 1yaj s ALA 56 Ca 0.23 0.95 -0.29 0.00 0.00 0.00 0.00 51.96 52.85 1yaj s ALA 56 Cb 0.14 0.37 -0.10 0.00 0.00 0.00 0.00 23.12 23.53 1yaj s ALA 56 CO 0.19 -0.59 1.42 0.21 0.00 0.00 0.00 175.76 176.99 1yaj s LYS 57 N -2.64 4.26 -0.26 0.00 2.20 -0.05 -4.62 119.74 118.63 1yaj s LYS 57 Ca -0.02 2.33 -0.35 0.00 -0.36 0.00 0.00 55.97 57.57 1yaj s LYS 57 Cb -0.01 -3.08 -0.11 0.00 -1.51 0.00 0.00 37.83 33.12 1yaj s LYS 57 CO -0.04 -0.39 2.07 -2.30 -0.36 0.00 0.00 175.35 174.33 1yaj n PRO 58 N 1.76 1.47 -0.44 4.03 -0.02 -1.26 -4.61 135.00 135.92 1yaj n PRO 58 Ca 0.05 0.46 -0.11 0.00 -2.02 0.00 0.00 63.50 61.87 1yaj n PRO 58 Cb 0.40 -2.57 -0.02 0.00 -0.02 0.00 0.00 33.50 31.29 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 7.60 1.15 -3.12 0.52 -0.04 -1.26 -4.83 135.00 135.01 1yaj n PRO 59 Ca 0.34 -0.90 -0.19 0.00 -0.04 0.00 0.00 63.50 62.71 1yaj n PRO 59 Cb 0.26 -2.12 0.01 0.00 -0.04 0.00 0.00 33.50 31.61 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 0.04 3.72 0.00 1.53 1.43 -1.26 -4.21 118.68 119.93 1yaj s LEU 60 Ca 0.25 -0.22 0.00 0.00 -1.03 0.00 0.00 54.13 53.13 1yaj s LEU 60 Cb 0.08 -2.77 0.00 0.00 0.03 0.00 0.00 46.19 43.53 1yaj s LEU 60 CO -0.02 -0.69 0.00 0.61 0.23 0.00 0.00 176.35 176.48 1yaj n GLY 61 N -1.86 3.16 0.06 -3.19 0.00 -1.26 -1.67 105.19 100.42 1yaj n GLY 61 Ca 0.04 -0.21 0.07 0.00 0.00 0.00 0.00 46.02 45.92 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 0.07 -0.07 1.61 -0.04 -1.26 -2.62 135.00 146.68 1yaj n PRO 62 Ca 0.00 0.46 0.01 0.00 -0.04 0.00 0.00 63.50 63.93 1yaj n PRO 62 Cb 0.00 -1.68 0.04 0.00 -0.04 0.00 0.00 33.50 31.82 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 -1.82 0.94 -4.76 1.53 4.77 -0.67 -4.85 117.00 112.13 1yaj n LEU 63 Ca 0.01 -0.47 -0.40 0.00 -0.03 0.00 0.00 56.01 55.12 1yaj n LEU 63 Cb 0.09 -0.25 -0.06 0.00 -2.33 0.00 0.00 43.42 40.87 1yaj n LEU 63 CO 0.09 0.19 0.55 -0.60 -1.33 0.00 0.00 177.39 176.30 1yaj s ARG 64 N -1.60 4.68 -1.02 3.23 3.52 -1.08 -3.81 118.95 122.87 1yaj s ARG 64 Ca 0.06 1.29 -0.11 0.00 -0.13 0.00 0.00 55.73 56.85 1yaj s ARG 64 Cb 0.04 -3.27 -0.03 0.00 -1.56 0.00 0.00 34.95 30.12 1yaj s ARG 64 CO 0.03 0.54 0.82 1.19 -0.81 0.00 0.00 175.30 177.07 1yaj n PHE 65 N 1.61 -2.31 -3.52 5.12 3.72 -1.26 -4.99 117.46 115.83 1yaj n PHE 65 Ca -0.04 0.74 -0.12 0.00 -0.05 0.00 0.00 57.45 57.98 1yaj n PHE 65 Cb 0.48 -3.79 -0.04 0.00 -0.94 0.00 0.00 39.48 35.19 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 -3.34 0.00 0.51 4.37 -4.23 -1.25 -4.91 115.64 106.80 1yaj s THR 66 Ca 0.37 0.00 -0.22 0.00 -1.18 0.00 0.00 61.69 60.67 1yaj s THR 66 Cb -0.09 -1.00 -0.07 0.00 1.34 0.00 0.00 72.50 72.68 1yaj s THR 66 CO 0.80 0.00 1.06 -2.65 -0.54 0.00 0.00 174.62 173.29 1yaj n PRO 67 N 0.38 1.27 -2.16 3.99 -0.02 -1.26 -4.91 135.00 132.30 1yaj n PRO 67 Ca -0.13 0.47 -0.42 0.00 -2.02 0.00 0.00 63.50 61.39 1yaj n PRO 67 Cb 0.60 -2.20 -0.03 0.00 -0.02 0.00 0.00 33.50 31.85 1yaj n PRO 67 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1yaj s PRO 68 N -2.46 4.28 0.08 0.52 0.04 -1.26 -5.03 135.00 131.17 1yaj s PRO 68 Ca 0.69 2.06 -0.04 0.00 0.04 0.00 0.00 61.00 63.75 1yaj s PRO 68 Cb -0.47 -3.49 -0.05 0.00 0.04 0.00 0.00 34.50 30.53 1yaj s PRO 68 CO 0.52 -0.56 0.30 -0.65 0.04 0.00 0.00 177.00 176.64 1yaj s GLN 69 N 2.08 3.56 0.30 4.56 -0.21 -1.26 -4.98 119.66 123.71 1yaj s GLN 69 Ca 0.66 -0.18 -0.28 0.00 0.02 0.00 0.00 55.36 55.57 1yaj s GLN 69 Cb -0.34 -2.97 -0.14 0.00 1.00 0.00 0.00 33.01 30.56 1yaj s GLN 69 CO 0.29 0.56 1.11 -2.30 -2.12 0.00 0.00 175.29 172.83 1yaj n PRO 70 N 0.46 1.59 -1.72 2.91 -0.02 -1.26 -0.88 135.00 136.08 1yaj n PRO 70 Ca -0.06 0.56 -0.33 0.00 -2.02 0.00 0.00 63.50 61.65 1yaj n PRO 70 Cb 0.52 -2.00 0.05 0.00 -0.02 0.00 0.00 33.50 32.05 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 -0.99 2.45 -0.02 3.55 0.00 -1.26 -4.11 121.76 121.37 1yaj s ALA 71 Ca 0.59 0.55 -0.30 0.00 0.00 0.00 0.00 51.96 52.79 1yaj s ALA 71 Cb -0.67 -3.32 -0.03 0.00 0.00 0.00 0.00 23.12 19.10 1yaj s ALA 71 CO 0.60 -1.32 1.07 -1.21 0.00 0.00 0.00 175.76 174.90 1yaj s GLU 72 N -4.13 4.47 0.13 0.00 0.41 -1.26 -4.88 118.70 113.44 1yaj s GLU 72 Ca 0.67 1.54 -0.31 0.00 -0.41 0.00 0.00 54.97 56.46 1yaj s GLU 72 Cb -0.21 -3.46 -0.08 0.00 -1.78 0.00 0.00 34.13 28.60 1yaj s GLU 72 CO 0.42 -0.21 1.32 -1.25 -0.49 0.00 0.00 175.26 175.05 1yaj s PRO 73 N 1.41 4.37 0.24 0.39 0.04 -1.26 -5.01 135.00 135.18 1yaj s PRO 73 Ca 0.53 2.00 -0.18 0.00 0.04 0.00 0.00 61.00 63.39 1yaj s PRO 73 Cb -0.23 -3.25 -0.08 0.00 0.04 0.00 0.00 34.50 30.98 1yaj s PRO 73 CO 0.25 -0.33 0.72 1.67 0.04 0.00 0.00 177.00 179.35 1yaj s TRP 74 N 0.76 3.58 -0.52 0.56 -2.14 -0.59 -4.98 118.94 115.62 1yaj s TRP 74 Ca 0.61 1.34 0.06 0.00 2.66 0.00 0.00 56.10 60.76 1yaj s TRP 74 Cb -0.35 -2.59 0.40 0.00 -3.10 0.00 0.00 33.47 27.83 1yaj s TRP 74 CO 0.33 0.28 1.22 0.43 -2.66 0.00 0.00 176.95 176.55 1yaj n SER 75 N 0.47 3.42 0.00 -2.66 7.64 -1.26 -4.56 113.62 116.67 1yaj n SER 75 Ca -0.01 -2.56 0.00 0.00 1.01 0.00 0.00 58.87 57.31 1yaj n SER 75 Cb 0.52 -0.62 0.00 0.00 -1.01 0.00 0.00 64.21 63.10 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 0.16 0.00 -4.00 1.43 0.99 -1.26 -5.11 117.46 109.67 1yaj n PHE 76 Ca 0.18 0.00 -0.31 0.00 -0.00 0.00 0.00 57.45 57.32 1yaj n PHE 76 Cb 0.83 0.00 -0.15 0.00 -1.00 0.00 0.00 39.48 39.16 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 1.79 2.25 -0.22 -4.37 1.01 -1.26 -3.42 120.40 116.19 1yaj s VAL 77 Ca 0.00 -2.43 -0.27 0.00 0.00 0.00 0.00 61.98 59.28 1yaj s VAL 77 Cb 0.00 -2.65 0.00 0.00 0.00 0.00 0.00 36.38 33.73 1yaj s VAL 77 CO 0.00 -0.63 0.94 -0.75 0.00 0.00 0.00 175.10 174.66 1yaj s LYS 78 N 0.78 4.25 0.02 2.72 2.20 -0.85 -4.81 119.74 124.05 1yaj s LYS 78 Ca 0.12 1.18 -0.20 0.00 -0.36 0.00 0.00 55.97 56.71 1yaj s LYS 78 Cb -0.20 -3.62 -0.06 0.00 -1.51 0.00 0.00 37.83 32.44 1yaj s LYS 78 CO -0.08 -0.53 0.57 0.54 -0.36 0.00 0.00 175.35 175.50 1yaj s ASN 79 N 1.23 6.99 -0.82 1.43 2.20 -1.26 -0.64 114.94 124.07 1yaj s ASN 79 Ca 0.41 1.17 0.02 0.00 -0.94 0.00 0.00 52.86 53.52 1yaj s ASN 79 Cb -0.16 -2.35 0.26 0.00 -2.00 0.00 0.00 41.25 37.00 1yaj s ASN 79 CO 0.08 0.17 0.95 0.00 -2.94 0.00 0.00 177.10 175.37 1yaj n ALA 80 N 2.36 4.31 0.21 3.54 0.00 0.13 -4.78 120.51 126.28 1yaj n ALA 80 Ca -0.08 -4.74 0.03 0.00 0.00 0.00 0.00 53.44 48.64 1yaj n ALA 80 Cb 0.51 -1.46 0.03 0.00 0.00 0.00 0.00 19.45 18.53 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 1.30 0.13 -4.29 0.00 -2.24 -1.24 -0.58 114.28 107.37 1yaj n THR 81 Ca 0.27 -0.57 -0.24 0.00 -2.27 0.00 0.00 64.05 61.25 1yaj n THR 81 Cb 0.38 1.04 -0.07 0.00 -2.10 0.00 0.00 70.33 69.57 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 -0.57 4.53 -0.10 3.42 0.01 -1.26 -4.92 113.70 114.81 1yaj s SER 82 Ca 0.08 -0.62 -0.28 0.00 1.31 0.00 0.00 55.95 56.44 1yaj s SER 82 Cb 0.05 -0.85 -0.02 0.00 0.21 0.00 0.00 66.02 65.42 1yaj s SER 82 CO 0.08 0.02 0.94 -0.31 0.41 0.00 0.00 173.24 174.37 1yaj s TYR 83 N -2.22 3.51 0.61 2.43 2.02 -1.26 -3.71 117.35 118.73 1yaj s TYR 83 Ca 0.30 1.50 -0.18 0.00 -0.37 0.00 0.00 57.07 58.32 1yaj s TYR 83 Cb -0.07 -3.10 -0.03 0.00 -0.40 0.00 0.00 41.96 38.36 1yaj s TYR 83 CO 0.19 -0.17 1.19 -1.25 -1.57 0.00 0.00 175.55 173.94 1yaj s PRO 84 N 1.82 2.90 1.14 -1.71 0.04 -1.26 -4.96 135.00 132.97 1yaj s PRO 84 Ca 0.45 1.74 -0.13 0.00 0.04 0.00 0.00 61.00 63.11 1yaj s PRO 84 Cb -0.18 -1.93 0.27 0.00 0.04 0.00 0.00 34.50 32.70 1yaj s PRO 84 CO 0.18 -1.24 1.04 -2.14 0.04 0.00 0.00 177.00 174.88 1yaj s PRO 85 N -3.48 -0.74 -0.01 0.56 0.02 -1.26 -4.85 135.00 125.25 1yaj s PRO 85 Ca 0.75 0.72 0.03 0.00 0.02 0.00 0.00 61.00 62.52 1yaj s PRO 85 Cb -0.28 -1.58 -0.03 0.00 0.02 0.00 0.00 34.50 32.62 1yaj s PRO 85 CO 0.35 -3.57 -0.06 0.00 -0.33 0.00 0.00 177.00 173.38 1yaj s MET 86 N -4.58 2.60 0.34 5.54 0.23 0.36 -4.81 119.30 118.98 1yaj s MET 86 Ca 0.68 -0.68 -0.27 0.00 -1.03 0.00 0.00 55.69 54.39 1yaj s MET 86 Cb -0.23 -2.53 -0.13 0.00 -1.53 0.00 0.00 34.83 30.41 1yaj s MET 86 CO 0.63 0.62 1.07 0.00 -2.03 0.00 0.00 175.02 175.31 1yaj n THR 88 N 0.05 1.34 -3.61 0.00 -1.04 -1.15 -4.76 114.28 105.12 1yaj n THR 88 Ca 0.08 -0.33 -0.03 0.00 -2.04 0.00 0.00 64.05 61.73 1yaj n THR 88 Cb 0.35 -0.32 -0.01 0.00 -1.82 0.00 0.00 70.33 68.52 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 -0.73 0.49 -0.78 -2.82 -2.07 -1.26 -4.79 119.66 107.71 1yaj s GLN 89 Ca 0.71 -0.23 -0.30 0.00 -1.82 0.00 0.00 55.36 53.72 1yaj s GLN 89 Cb -0.95 0.20 -0.17 0.00 -1.09 0.00 0.00 33.01 31.00 1yaj s GLN 89 CO 0.56 -0.22 2.56 -3.47 -1.32 0.00 0.00 175.29 173.39 1yaj n ASP 90 N -0.27 1.04 -0.23 12.60 -0.08 -1.26 -4.78 116.55 123.57 1yaj n ASP 90 Ca -0.04 0.01 0.03 0.00 -1.51 0.00 0.00 54.79 53.28 1yaj n ASP 90 Cb 0.60 -1.14 0.13 0.00 2.34 0.00 0.00 41.12 43.05 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 14.20 0.13 0.32 -0.67 0.13 -1.98 0.52 132.00 144.66 1yaj h PRO 91 Ca -0.12 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 64.98 1yaj h PRO 91 Cb 1.30 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1yaj h PRO 91 CO 1.28 0.09 -0.15 0.87 -0.23 0.00 0.00 178.00 179.86 1yaj h LYS 92 N 0.14 -0.41 -0.00 0.86 1.79 -1.99 -0.35 116.57 116.60 1yaj h LYS 92 Ca 0.37 0.03 -0.07 0.00 -2.18 0.00 0.00 60.65 58.80 1yaj h LYS 92 Cb 0.62 0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 31.35 1yaj h LYS 92 CO -0.57 -0.22 -0.32 0.00 -1.08 0.00 0.00 179.45 177.27 1yaj h ALA 93 N 0.15 1.47 -0.10 3.86 0.00 -1.82 -2.14 119.26 120.68 1yaj h ALA 93 Ca -0.04 -0.29 -0.12 0.00 0.00 0.00 0.00 54.91 54.46 1yaj h ALA 93 Cb 0.38 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1yaj h ALA 93 CO 0.07 0.40 -0.39 0.78 0.00 0.00 0.00 179.25 180.11 1yaj h GLY 94 N 0.97 0.49 1.79 0.00 0.00 0.20 -2.31 103.07 104.20 1yaj h GLY 94 Ca -0.00 -0.67 -0.13 0.00 0.00 0.00 0.00 47.33 46.53 1yaj h GLY 94 CO 0.04 0.59 -0.53 -1.61 0.00 0.00 0.00 176.54 175.04 1yaj h GLN 95 N 0.02 0.23 0.65 4.80 4.15 -0.98 -1.42 115.11 122.56 1yaj h GLN 95 Ca -0.02 -0.13 -0.03 0.00 0.77 0.00 0.00 58.65 59.23 1yaj h GLN 95 Cb 1.03 0.01 0.01 0.00 0.21 0.00 0.00 27.48 28.74 1yaj h GLN 95 CO 0.08 0.70 -0.31 1.25 -1.93 0.00 0.00 178.83 178.62 1yaj h LEU 96 N 0.18 -0.74 -1.20 -2.39 5.85 -1.38 -1.24 115.31 114.39 1yaj h LEU 96 Ca 0.00 -0.01 0.10 0.00 0.84 0.00 0.00 57.88 58.81 1yaj h LEU 96 Cb 0.99 0.19 -0.06 0.00 0.37 0.00 0.00 40.66 42.14 1yaj h LEU 96 CO 0.08 -0.39 0.57 0.25 -0.34 0.00 0.00 178.44 178.62 1yaj h LEU 97 N -1.11 0.80 -2.05 2.25 5.85 -1.42 0.28 115.31 119.91 1yaj h LEU 97 Ca -0.09 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.65 1yaj h LEU 97 Cb 0.71 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.59 1yaj h LEU 97 CO 0.15 0.47 0.00 -1.28 -0.34 0.00 0.00 178.44 177.44 1yaj h SER 98 N 0.88 0.00 0.66 1.25 0.87 -1.07 -1.65 113.55 114.50 1yaj h SER 98 Ca 0.41 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.97 1yaj h SER 98 Cb 0.40 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.36 1yaj h SER 98 CO -0.18 0.00 -1.06 -0.62 -0.53 0.00 0.00 176.83 174.45 1yaj n GLU 99 N -2.82 0.45 0.01 2.24 1.02 0.94 -3.69 120.64 118.80 1yaj n GLU 99 Ca -0.01 0.04 0.07 0.00 -0.02 0.00 0.00 57.16 57.23 1yaj n GLU 99 Cb 0.14 -1.69 -0.11 0.00 -0.02 0.00 0.00 31.44 29.76 1yaj n GLU 99 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1yaj n LEU 100 N -2.28 0.33 -0.08 -4.62 4.77 -0.65 -4.54 117.00 109.93 1yaj n LEU 100 Ca 0.01 0.14 -0.08 0.00 -0.03 0.00 0.00 56.01 56.04 1yaj n LEU 100 Cb 0.49 0.06 -0.11 0.00 -2.33 0.00 0.00 43.42 41.53 1yaj n LEU 100 CO 0.40 0.03 -1.00 0.49 -1.33 0.00 0.00 177.39 175.98 1yaj n PHE 101 N -2.51 0.00 -0.97 -1.77 3.72 -1.04 -5.01 117.46 109.87 1yaj n PHE 101 Ca -0.07 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 56.96 1yaj n PHE 101 Cb 0.67 -0.73 -0.04 0.00 -0.94 0.00 0.00 39.48 38.44 1yaj n PHE 101 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 1yaj n THR 102 N -2.62 0.57 -0.96 4.37 5.66 -1.24 -4.78 114.28 115.27 1yaj n THR 102 Ca -0.26 -0.14 0.07 0.00 -3.05 0.00 0.00 64.05 60.67 1yaj n THR 102 Cb 0.97 0.00 0.33 0.00 -1.55 0.00 0.00 70.33 70.08 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 1.14 4.80 -4.73 1.09 6.94 -1.26 -4.96 115.26 118.28 1yaj n ASN 103 Ca 0.13 -3.00 -0.23 0.00 -0.02 0.00 0.00 54.58 51.46 1yaj n ASN 103 Cb 0.10 -0.62 -0.06 0.00 -2.36 0.00 0.00 39.78 36.84 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 -2.82 2.45 0.06 -3.83 1.70 -1.26 -4.39 118.95 110.86 1yaj s ARG 104 Ca 0.49 -1.43 -0.33 0.00 -0.47 0.00 0.00 55.73 53.99 1yaj s ARG 104 Cb 0.38 -2.25 -0.19 0.00 -0.57 0.00 0.00 34.95 32.33 1yaj s ARG 104 CO 0.12 0.21 1.54 1.57 -1.08 0.00 0.00 175.30 177.66 1yaj h LYS 105 N 1.61 -0.95 -5.98 3.89 2.10 -1.93 -3.44 116.57 111.87 1yaj h LYS 105 Ca -0.44 0.06 -0.61 0.00 -2.00 0.00 0.00 60.65 57.66 1yaj h LYS 105 Cb 1.25 0.22 -0.05 0.00 -0.90 0.00 0.00 32.23 32.75 1yaj h LYS 105 CO 0.62 -0.62 -0.33 -1.83 -2.00 0.00 0.00 179.45 175.29 1yaj s GLU 106 N -5.81 3.66 0.11 0.07 -1.05 -1.26 -5.02 118.70 109.40 1yaj s GLU 106 Ca -0.18 0.05 -0.18 0.00 -0.15 0.00 0.00 54.97 54.51 1yaj s GLU 106 Cb 0.03 -3.06 -0.07 0.00 -0.44 0.00 0.00 34.13 30.59 1yaj s GLU 106 CO 0.59 0.62 0.57 1.21 0.95 0.00 0.00 175.26 179.21 1yaj s ASN 107 N -1.65 6.99 -0.25 0.83 3.04 -1.26 -5.03 114.94 117.61 1yaj s ASN 107 Ca 0.29 1.22 -0.08 0.00 0.04 0.00 0.00 52.86 54.33 1yaj s ASN 107 Cb -0.14 -2.34 -0.04 0.00 -1.54 0.00 0.00 41.25 37.19 1yaj s ASN 107 CO 0.16 0.21 0.10 -0.63 -3.04 0.00 0.00 177.10 173.89 1yaj s ILE 108 N -1.25 4.62 0.55 -5.21 -1.09 -1.26 -5.08 121.20 112.48 1yaj s ILE 108 Ca 0.33 -0.07 -0.18 0.00 -2.23 0.00 0.00 60.65 58.50 1yaj s ILE 108 Cb -0.18 -3.16 -0.05 0.00 -1.58 0.00 0.00 42.46 37.49 1yaj s ILE 108 CO 0.19 0.34 1.08 -2.16 -1.23 0.00 0.00 174.94 173.16 1yaj s PRO 109 N 1.46 3.40 -0.02 2.79 0.04 -1.26 -4.95 135.00 136.45 1yaj s PRO 109 Ca 0.06 1.41 0.01 0.00 0.04 0.00 0.00 61.00 62.52 1yaj s PRO 109 Cb -0.15 -2.03 0.01 0.00 0.04 0.00 0.00 34.50 32.37 1yaj s PRO 109 CO 0.05 -0.78 -0.05 -0.51 0.04 0.00 0.00 177.00 175.76 1yaj s LEU 110 N -4.03 1.63 0.66 -3.56 1.43 -1.26 -5.10 118.68 108.46 1yaj s LEU 110 Ca 0.68 -0.11 -0.14 0.00 -1.03 0.00 0.00 54.13 53.53 1yaj s LEU 110 Cb -0.19 -0.37 0.00 0.00 0.03 0.00 0.00 46.19 45.66 1yaj s LEU 110 CO 0.29 0.00 1.09 -0.75 0.23 0.00 0.00 176.35 177.22 1yaj s LYS 111 N 0.43 2.84 -0.18 1.70 2.47 -1.26 -4.75 119.74 120.99 1yaj s LYS 111 Ca -0.05 1.28 -0.06 0.00 -1.56 0.00 0.00 55.97 55.58 1yaj s LYS 111 Cb -0.09 -1.96 -0.04 0.00 -1.46 0.00 0.00 37.83 34.28 1yaj s LYS 111 CO -0.00 -1.20 0.04 -0.51 0.16 0.00 0.00 175.35 173.83 1yaj s LEU 112 N -5.00 3.63 -0.04 5.43 1.02 -1.26 -0.49 118.68 121.98 1yaj s LEU 112 Ca 0.65 0.00 -0.27 0.00 0.02 0.00 0.00 54.13 54.52 1yaj s LEU 112 Cb -0.18 -1.91 0.06 0.00 0.02 0.00 0.00 46.19 44.17 1yaj s LEU 112 CO 0.44 0.16 0.60 -0.55 0.02 0.00 0.00 176.35 177.01 1yaj s SER 113 N 0.47 -0.55 0.27 2.29 0.15 -1.13 -4.90 113.70 110.29 1yaj s SER 113 Ca 0.01 0.56 0.25 0.00 0.70 0.00 0.00 55.95 57.47 1yaj s SER 113 Cb -0.13 0.49 0.99 0.00 -1.71 0.00 0.00 66.02 65.66 1yaj s SER 113 CO 0.01 -0.59 1.74 -0.33 1.20 0.00 0.00 173.24 175.27 1yaj h GLU 114 N 3.15 0.00 -4.62 5.44 5.08 -1.95 -3.04 114.58 118.64 1yaj h GLU 114 Ca -0.28 0.00 -0.72 0.00 -1.00 0.00 0.00 59.36 57.37 1yaj h GLU 114 Cb 1.15 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 30.20 1yaj h GLU 114 CO 0.39 0.00 0.38 0.34 -1.00 0.00 0.00 179.01 179.13 1yaj s ASP 115 N -4.39 6.49 0.00 1.42 2.15 -1.26 -4.50 116.67 116.58 1yaj s ASP 115 Ca 0.05 -1.95 0.00 0.00 0.43 0.00 0.00 52.55 51.08 1yaj s ASP 115 Cb 0.10 -2.32 0.00 0.00 -0.30 0.00 0.00 42.92 40.40 1yaj s ASP 115 CO 0.43 -0.97 0.71 0.00 -0.17 0.00 0.00 175.17 175.17 1yaj n LEU 117 N 0.00 6.38 -4.34 0.00 4.77 -1.26 -4.71 117.00 117.84 1yaj n LEU 117 Ca 0.00 -4.25 -0.18 0.00 -0.03 0.00 0.00 56.01 51.56 1yaj n LEU 117 Cb 0.59 -1.63 -0.10 0.00 -2.33 0.00 0.00 43.42 39.95 1yaj n LEU 117 CO 0.00 0.99 -0.32 -0.31 -1.33 0.00 0.00 177.39 176.42 1yaj s TYR 118 N 2.58 1.61 -0.00 -1.77 1.51 -1.26 -2.17 117.35 117.85 1yaj s TYR 118 Ca 0.46 -0.95 0.00 0.00 -1.01 0.00 0.00 57.07 55.57 1yaj s TYR 118 Cb 0.10 -0.95 0.00 0.00 -0.11 0.00 0.00 41.96 41.00 1yaj s TYR 118 CO -0.03 -0.06 -0.01 -0.48 -1.11 0.00 0.00 175.55 173.86 1yaj s LEU 119 N -3.33 1.91 -0.07 -1.29 0.05 0.28 -2.64 118.68 113.59 1yaj s LEU 119 Ca 0.30 -0.01 -0.12 0.00 0.05 0.00 0.00 54.13 54.35 1yaj s LEU 119 Cb 0.06 -0.05 -0.05 0.00 -2.05 0.00 0.00 46.19 44.10 1yaj s LEU 119 CO 0.10 -0.00 0.30 0.20 -0.55 0.00 0.00 176.35 176.40 1yaj s ASN 120 N 0.09 6.60 -0.04 1.48 0.01 -0.75 -2.40 114.94 119.92 1yaj s ASN 120 Ca -0.01 0.71 0.07 0.00 -0.71 0.00 0.00 52.86 52.92 1yaj s ASN 120 Cb -0.02 -2.18 -0.02 0.00 0.41 0.00 0.00 41.25 39.45 1yaj s ASN 120 CO -0.00 0.30 -0.24 -0.63 -1.51 0.00 0.00 177.10 175.02 1yaj s ILE 121 N -0.73 2.15 -0.16 0.60 1.01 0.00 -1.91 121.20 122.17 1yaj s ILE 121 Ca 0.19 -1.05 0.01 0.00 0.00 0.00 0.00 60.65 59.80 1yaj s ILE 121 Cb -0.14 -1.77 0.02 0.00 0.01 0.00 0.00 42.46 40.58 1yaj s ILE 121 CO 0.08 0.58 -0.16 -0.31 0.00 0.00 0.00 174.94 175.13 1yaj s TYR 122 N -0.40 2.37 -0.07 3.97 1.51 0.15 -1.51 117.35 123.36 1yaj s TYR 122 Ca 0.04 -1.35 -0.01 0.00 -1.01 0.00 0.00 57.07 54.74 1yaj s TYR 122 Cb -0.12 -1.70 0.03 0.00 -0.11 0.00 0.00 41.96 40.06 1yaj s TYR 122 CO 0.01 -0.70 0.00 -0.08 -1.11 0.00 0.00 175.55 173.67 1yaj s THR 123 N 1.39 0.39 -2.11 -0.71 -1.32 -1.02 0.02 115.64 112.28 1yaj s THR 123 Ca 0.04 0.10 0.17 0.00 -1.21 0.00 0.00 61.69 60.79 1yaj s THR 123 Cb -0.13 -0.55 0.42 0.00 -1.51 0.00 0.00 72.50 70.73 1yaj s THR 123 CO -0.11 0.25 1.52 -0.81 -2.21 0.00 0.00 174.62 173.27 1yaj n PRO 124 N 5.14 1.39 -1.68 7.08 -0.04 -1.26 -1.21 135.00 144.42 1yaj n PRO 124 Ca -0.07 -0.59 -0.31 0.00 -0.04 0.00 0.00 63.50 62.49 1yaj n PRO 124 Cb 0.50 -1.30 0.05 0.00 -0.04 0.00 0.00 33.50 32.71 1yaj n PRO 124 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1yaj s ALA 125 N -1.86 2.71 -0.69 0.55 0.00 -1.26 -4.88 121.76 116.34 1yaj s ALA 125 Ca 0.26 -0.08 -0.19 0.00 0.00 0.00 0.00 51.96 51.95 1yaj s ALA 125 Cb 0.13 -3.12 0.11 0.00 0.00 0.00 0.00 23.12 20.24 1yaj s ALA 125 CO 0.21 -1.20 0.85 0.34 0.00 0.00 0.00 175.76 175.95 1yaj s ASP 126 N -3.99 6.30 0.00 0.00 2.15 -1.26 -4.73 116.67 115.14 1yaj s ASP 126 Ca 0.58 -1.53 0.00 0.00 0.43 0.00 0.00 52.55 52.03 1yaj s ASP 126 Cb -0.13 -2.34 0.00 0.00 -0.30 0.00 0.00 42.92 40.15 1yaj s ASP 126 CO 0.54 -1.15 0.55 0.18 -0.17 0.00 0.00 175.17 175.12 1yaj n LEU 127 N 6.54 0.00 -0.98 -1.34 4.77 -1.26 0.15 117.00 124.87 1yaj n LEU 127 Ca -0.01 0.14 0.11 0.00 -0.03 0.00 0.00 56.01 56.23 1yaj n LEU 127 Cb 0.45 -0.14 0.26 0.00 -2.33 0.00 0.00 43.42 41.66 1yaj n LEU 127 CO 0.57 -0.14 0.72 0.35 -1.33 0.00 0.00 177.39 177.56 1yaj n THR 128 N -1.05 0.48 -4.27 -5.08 -2.24 -1.26 -4.92 114.28 95.95 1yaj n THR 128 Ca 0.00 -0.65 -0.15 0.00 -2.27 0.00 0.00 64.05 60.98 1yaj n THR 128 Cb 0.07 0.70 -0.10 0.00 -2.10 0.00 0.00 70.33 68.90 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 -1.52 1.38 -0.43 -0.78 1.02 0.12 -5.11 119.74 114.42 1yaj s LYS 129 Ca 0.37 -1.75 -0.26 0.00 0.02 0.00 0.00 55.97 54.35 1yaj s LYS 129 Cb 0.21 0.05 0.02 0.00 -0.52 0.00 0.00 37.83 37.59 1yaj s LYS 129 CO 0.29 -0.39 0.96 0.21 -0.92 0.00 0.00 175.35 175.50 1yaj s LYS 130 N -4.00 3.67 0.01 1.68 2.20 -1.26 -4.84 119.74 117.20 1yaj s LYS 130 Ca 0.38 0.36 0.04 0.00 -0.36 0.00 0.00 55.97 56.40 1yaj s LYS 130 Cb 0.06 -3.88 -0.02 0.00 -1.51 0.00 0.00 37.83 32.49 1yaj s LYS 130 CO 0.15 -1.16 -0.13 -0.80 -0.36 0.00 0.00 175.35 173.05 1yaj s ASN 131 N 2.17 1.59 -0.39 1.43 0.01 -1.26 -5.06 114.94 113.42 1yaj s ASN 131 Ca 0.39 -0.34 0.10 0.00 -0.71 0.00 0.00 52.86 52.30 1yaj s ASN 131 Cb -0.10 -0.14 0.32 0.00 0.41 0.00 0.00 41.25 41.74 1yaj s ASN 131 CO 0.25 0.10 0.69 0.54 -1.51 0.00 0.00 177.10 177.16 1yaj n ARG 132 N 2.34 1.05 -2.23 -0.60 5.12 -1.22 -3.56 116.66 117.56 1yaj n ARG 132 Ca -0.16 -3.44 -0.33 0.00 -1.93 0.00 0.00 57.85 51.99 1yaj n ARG 132 Cb 0.55 -1.62 -0.01 0.00 -1.16 0.00 0.00 32.46 30.22 1yaj n ARG 132 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1yaj s LEU 133 N -2.16 3.62 0.95 0.55 1.43 0.58 -4.04 118.68 119.60 1yaj s LEU 133 Ca 0.39 1.83 -0.11 0.00 -1.03 0.00 0.00 54.13 55.21 1yaj s LEU 133 Cb 0.30 -4.54 0.17 0.00 0.03 0.00 0.00 46.19 42.15 1yaj s LEU 133 CO -0.09 -0.99 1.12 -2.16 0.23 0.00 0.00 176.35 174.46 1yaj s PRO 134 N -3.81 0.71 0.06 1.29 0.04 -1.26 -0.75 135.00 131.26 1yaj s PRO 134 Ca 0.64 1.41 0.09 0.00 0.04 0.00 0.00 61.00 63.18 1yaj s PRO 134 Cb -0.16 -1.70 -0.03 0.00 0.04 0.00 0.00 34.50 32.65 1yaj s PRO 134 CO 0.31 -2.80 -0.26 0.08 0.04 0.00 0.00 177.00 174.37 1yaj s VAL 135 N -2.63 2.13 -0.18 -0.36 1.01 -1.18 -0.97 120.40 118.22 1yaj s VAL 135 Ca 0.67 -1.44 -0.02 0.00 0.00 0.00 0.00 61.98 61.19 1yaj s VAL 135 Cb -0.23 -1.83 0.05 0.00 0.00 0.00 0.00 36.38 34.38 1yaj s VAL 135 CO 0.59 0.31 0.01 -0.04 0.00 0.00 0.00 175.10 175.97 1yaj s MET 136 N -1.36 0.86 -0.31 2.72 -1.94 0.96 -0.88 119.30 119.35 1yaj s MET 136 Ca 0.12 -0.44 -0.16 0.00 -1.71 0.00 0.00 55.69 53.50 1yaj s MET 136 Cb -0.10 -2.03 -0.02 0.00 2.01 0.00 0.00 34.83 34.68 1yaj s MET 136 CO 0.03 -0.57 0.39 0.08 -0.01 0.00 0.00 175.02 174.94 1yaj s VAL 137 N 1.79 5.14 -0.20 -6.03 1.01 -0.31 -0.83 120.40 120.98 1yaj s VAL 137 Ca -0.01 0.35 -0.17 0.00 0.00 0.00 0.00 61.98 62.16 1yaj s VAL 137 Cb -0.17 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 1yaj s VAL 137 CO -0.07 0.01 0.44 0.86 0.00 0.00 0.00 175.10 176.33 1yaj s TRP 138 N 2.11 3.38 -0.53 5.22 -0.11 0.32 -2.03 118.94 127.29 1yaj s TRP 138 Ca 0.15 0.68 -0.13 0.00 1.22 0.00 0.00 56.10 58.01 1yaj s TRP 138 Cb -0.16 -2.57 0.13 0.00 -1.50 0.00 0.00 33.47 29.37 1yaj s TRP 138 CO 0.11 -0.03 0.46 0.42 -4.62 0.00 0.00 176.95 173.28 1yaj s ILE 139 N 1.39 4.85 0.59 5.86 1.01 0.11 -2.57 121.20 132.45 1yaj s ILE 139 Ca 0.21 -1.67 -0.20 0.00 0.00 0.00 0.00 60.65 58.99 1yaj s ILE 139 Cb -0.15 -4.13 -0.03 0.00 0.01 0.00 0.00 42.46 38.16 1yaj s ILE 139 CO 0.09 -0.84 1.34 -1.38 0.00 0.00 0.00 174.94 174.14 1yaj s HIS 140 N 1.43 2.17 0.00 3.97 -3.43 -1.26 -3.91 115.29 114.26 1yaj s HIS 140 Ca 0.05 1.42 0.00 0.00 -0.80 0.00 0.00 55.06 55.72 1yaj s HIS 140 Cb -0.28 -3.77 0.00 0.00 -1.43 0.00 0.00 32.58 27.10 1yaj s HIS 140 CO 0.01 -2.97 0.00 0.41 -2.00 0.00 0.00 174.74 170.19 1yaj n GLY 141 N 0.81 1.14 0.00 -1.38 0.00 -1.18 -3.88 105.19 100.70 1yaj n GLY 141 Ca 0.13 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 44.14 1yaj n GLY 141 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yaj n GLY 142 N 5.00 0.25 2.24 -0.02 0.00 -1.26 -4.48 105.19 106.91 1yaj n GLY 142 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 1.12 2.86 -0.02 0.00 -1.26 -0.40 105.19 107.49 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 -1.58 0.82 -0.07 0.99 4.77 -1.26 -4.75 117.00 115.91 1yaj n LEU 144 Ca -0.12 0.01 -0.09 0.00 -0.03 0.00 0.00 56.01 55.78 1yaj n LEU 144 Cb 0.46 -2.25 -0.09 0.00 -2.33 0.00 0.00 43.42 39.21 1yaj n LEU 144 CO 0.18 -0.87 -0.98 0.23 -1.33 0.00 0.00 177.39 174.62 1yaj n MET 145 N 0.41 1.15 -2.94 3.23 2.81 0.46 -1.20 117.12 121.04 1yaj n MET 145 Ca -0.00 0.05 -0.08 0.00 -1.81 0.00 0.00 57.70 55.85 1yaj n MET 145 Cb 0.44 -1.33 -0.03 0.00 -0.71 0.00 0.00 33.22 31.59 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 -2.73 0.00 0.00 2.03 0.24 -0.19 -4.42 118.33 113.26 1yaj n VAL 146 Ca -0.25 -1.03 0.00 0.00 -2.04 0.00 0.00 64.34 61.02 1yaj n VAL 146 Cb 0.86 0.51 0.00 0.00 -1.47 0.00 0.00 33.84 33.74 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 -0.24 0.87 3.87 7.63 0.00 -1.26 -4.25 105.19 111.81 1yaj n GLY 147 Ca 0.03 -2.18 -0.02 0.00 0.00 0.00 0.00 46.02 43.85 1yaj n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yaj s ALA 148 N -1.20 -1.77 -0.20 4.61 0.00 -1.26 -4.65 121.76 117.28 1yaj s ALA 148 Ca 0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 51.96 51.76 1yaj s ALA 148 Cb 0.00 0.75 -0.21 0.00 0.00 0.00 0.00 23.12 23.66 1yaj s ALA 148 CO 0.00 -1.08 0.02 0.00 0.00 0.00 0.00 175.76 174.70 1yaj n ALA 149 N -0.70 1.21 0.20 0.00 0.00 -1.26 -4.14 120.51 115.82 1yaj n ALA 149 Ca -0.02 -0.89 0.10 0.00 0.00 0.00 0.00 53.44 52.63 1yaj n ALA 149 Cb 0.60 -0.34 0.56 0.00 0.00 0.00 0.00 19.45 20.27 1yaj n ALA 149 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1yaj h SER 150 N 0.03 0.00 -0.36 0.00 0.02 -1.91 -0.10 113.55 111.23 1yaj h SER 150 Ca -0.52 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.27 1yaj h SER 150 Cb 1.95 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 64.49 1yaj h SER 150 CO -0.02 0.00 -0.43 0.74 -1.14 0.00 0.00 176.83 175.98 1yaj h THR 151 N 0.00 1.27 -3.60 -2.27 2.02 -1.93 -3.42 112.91 104.98 1yaj h THR 151 Ca 0.00 -1.60 -0.64 0.00 0.77 0.00 0.00 66.41 64.94 1yaj h THR 151 Cb 0.34 1.44 -0.14 0.00 -1.74 0.00 0.00 68.15 68.04 1yaj h THR 151 CO 0.00 0.53 -0.02 -0.31 0.37 0.00 0.00 175.52 176.09 1yaj s TYR 152 N -4.33 3.19 -0.16 3.16 1.51 -0.05 -4.13 117.35 116.54 1yaj s TYR 152 Ca -0.11 0.28 -0.20 0.00 -1.01 0.00 0.00 57.07 56.03 1yaj s TYR 152 Cb 0.11 -2.91 -0.03 0.00 -0.11 0.00 0.00 41.96 39.02 1yaj s TYR 152 CO 0.89 -0.50 0.58 0.34 -1.11 0.00 0.00 175.55 175.75 1yaj s ASP 153 N 1.73 6.71 0.00 2.29 3.68 -1.26 -4.94 116.67 124.87 1yaj s ASP 153 Ca 0.20 0.85 0.23 0.00 2.13 0.00 0.00 52.55 55.96 1yaj s ASP 153 Cb -0.15 -2.33 0.51 0.00 -1.45 0.00 0.00 42.92 39.50 1yaj s ASP 153 CO 0.13 -0.17 1.44 0.61 0.13 0.00 0.00 175.17 177.31 1yaj n GLY 154 N 3.60 1.11 0.41 2.66 0.00 -1.26 -4.64 105.19 107.06 1yaj n GLY 154 Ca -0.03 -0.63 -0.10 0.00 0.00 0.00 0.00 46.02 45.26 1yaj n GLY 154 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1yaj h LEU 155 N 3.78 -1.61 0.00 0.99 5.85 -1.92 -0.94 115.31 121.45 1yaj h LEU 155 Ca 0.00 0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.97 1yaj h LEU 155 Cb 0.82 0.71 0.00 0.00 0.37 0.00 0.00 40.66 42.57 1yaj h LEU 155 CO 0.00 -0.35 0.00 0.00 -0.34 0.00 0.00 178.44 177.75 1yaj n ALA 156 N -3.15 -0.10 -0.16 1.25 0.00 -1.26 -0.61 120.51 116.48 1yaj n ALA 156 Ca 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 1yaj n ALA 156 Cb 0.34 0.02 0.02 0.00 0.00 0.00 0.00 19.45 19.83 1yaj n ALA 156 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1yaj n LEU 157 N -0.86 -0.28 0.26 0.00 7.94 -1.21 0.20 117.00 123.04 1yaj n LEU 157 Ca 0.00 0.75 -0.17 0.00 -1.11 0.00 0.00 56.01 55.48 1yaj n LEU 157 Cb 0.00 -0.17 -0.09 0.00 0.53 0.00 0.00 43.42 43.69 1yaj n LEU 157 CO 0.00 -0.67 0.52 0.00 -1.11 0.00 0.00 177.39 176.13 1yaj h ALA 158 N 0.59 -1.11 0.52 1.96 0.00 -1.09 0.92 119.26 121.05 1yaj h ALA 158 Ca 0.15 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1yaj h ALA 158 Cb 0.26 0.73 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1yaj h ALA 158 CO -0.43 -1.15 -0.38 0.00 0.00 0.00 0.00 179.25 177.29 1yaj h ALA 159 N -0.92 -1.14 -0.63 0.00 0.00 0.47 0.12 119.26 117.15 1yaj h ALA 159 Ca -0.05 -0.18 0.13 0.00 0.00 0.00 0.00 54.91 54.81 1yaj h ALA 159 Cb 0.81 0.55 -0.10 0.00 0.00 0.00 0.00 17.79 19.05 1yaj h ALA 159 CO -0.08 -1.13 0.07 0.45 0.00 0.00 0.00 179.25 178.56 1yaj h HIS 160 N -0.87 0.09 -0.01 0.00 -0.00 -0.17 -2.86 115.15 111.35 1yaj h HIS 160 Ca -0.07 0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.34 1yaj h HIS 160 Cb 0.72 0.06 0.00 0.00 -0.00 0.00 0.00 27.41 28.18 1yaj h HIS 160 CO -0.12 -0.11 -0.64 0.39 -0.00 0.00 0.00 177.93 177.45 1yaj n GLU 161 N -5.21 0.55 -2.96 2.45 -0.58 0.31 -4.99 120.64 110.22 1yaj n GLU 161 Ca 0.10 -0.43 -0.12 0.00 -0.42 0.00 0.00 57.16 56.29 1yaj n GLU 161 Cb 0.37 -1.49 0.06 0.00 -0.57 0.00 0.00 31.44 29.81 1yaj n GLU 161 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1yaj n ASN 162 N -0.85 -4.22 -4.13 1.62 4.05 0.40 -5.05 115.26 107.08 1yaj n ASN 162 Ca 0.07 -0.52 -0.09 0.00 0.45 0.00 0.00 54.58 54.49 1yaj n ASN 162 Cb 0.38 -4.13 -0.10 0.00 1.23 0.00 0.00 39.78 37.16 1yaj n ASN 162 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 177.26 174.89 1yaj s VAL 163 N -3.29 0.48 -0.22 3.44 -7.23 -1.13 -4.63 120.40 107.82 1yaj s VAL 163 Ca 0.22 -1.85 -0.20 0.00 -1.81 0.00 0.00 61.98 58.33 1yaj s VAL 163 Cb -0.03 -1.58 -0.02 0.00 0.56 0.00 0.00 36.38 35.31 1yaj s VAL 163 CO 0.57 -0.91 0.61 -0.69 -0.31 0.00 0.00 175.10 174.37 1yaj s VAL 164 N -3.68 5.02 -0.16 1.32 1.01 -0.15 -4.31 120.40 119.46 1yaj s VAL 164 Ca 0.09 1.13 -0.06 0.00 0.00 0.00 0.00 61.98 63.15 1yaj s VAL 164 Cb 0.06 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 1yaj s VAL 164 CO -0.07 0.09 0.02 -0.69 0.00 0.00 0.00 175.10 174.46 1yaj s VAL 165 N 2.07 4.44 -0.14 2.92 1.01 0.10 -0.03 120.40 130.78 1yaj s VAL 165 Ca 0.27 -0.16 -0.01 0.00 0.00 0.00 0.00 61.98 62.08 1yaj s VAL 165 Cb -0.16 -2.97 0.03 0.00 0.00 0.00 0.00 36.38 33.29 1yaj s VAL 165 CO 0.10 0.49 -0.06 -0.69 0.00 0.00 0.00 175.10 174.94 1yaj s VAL 166 N 0.22 1.01 -0.25 2.92 1.01 -0.01 0.35 120.40 125.65 1yaj s VAL 166 Ca 0.02 -0.42 -0.08 0.00 0.00 0.00 0.00 61.98 61.50 1yaj s VAL 166 Cb -0.13 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.10 1yaj s VAL 166 CO 0.01 0.24 0.10 0.42 0.00 0.00 0.00 175.10 175.87 1yaj s THR 167 N 1.70 4.60 0.41 3.92 -4.23 -0.80 0.12 115.64 121.35 1yaj s THR 167 Ca 0.03 -0.08 0.08 0.00 -1.18 0.00 0.00 61.69 60.54 1yaj s THR 167 Cb -0.14 -3.15 -0.01 0.00 1.34 0.00 0.00 72.50 70.54 1yaj s THR 167 CO -0.08 0.34 0.41 0.27 -0.54 0.00 0.00 174.62 175.02 1yaj s ILE 168 N 1.46 2.82 -0.03 2.99 -4.36 -1.06 -1.80 121.20 121.22 1yaj s ILE 168 Ca 0.06 -1.27 0.04 0.00 -0.26 0.00 0.00 60.65 59.21 1yaj s ILE 168 Cb -0.15 -3.02 -0.00 0.00 1.25 0.00 0.00 42.46 40.54 1yaj s ILE 168 CO 0.05 -0.02 -0.13 -1.10 0.24 0.00 0.00 174.94 173.98 1yaj s GLN 169 N -4.16 1.29 0.28 0.37 -0.21 -1.08 -4.29 119.66 111.85 1yaj s GLN 169 Ca 0.49 -0.46 0.04 0.00 0.02 0.00 0.00 55.36 55.45 1yaj s GLN 169 Cb -0.05 -1.17 -0.06 0.00 1.00 0.00 0.00 33.01 32.73 1yaj s GLN 169 CO 0.29 0.21 0.02 1.52 -2.12 0.00 0.00 175.29 175.21 1yaj s TYR 170 N 0.01 1.76 0.25 0.91 1.13 -1.26 -4.50 117.35 115.65 1yaj s TYR 170 Ca -0.01 -0.93 -0.30 0.00 -1.41 0.00 0.00 57.07 54.41 1yaj s TYR 170 Cb -0.09 -1.07 -0.10 0.00 -1.10 0.00 0.00 41.96 39.60 1yaj s TYR 170 CO 0.01 -0.01 1.44 1.03 -2.51 0.00 0.00 175.55 175.50 1yaj s ARG 171 N -3.87 4.27 0.42 -3.49 0.52 -1.26 -4.79 118.95 110.74 1yaj s ARG 171 Ca 0.33 2.30 0.07 0.00 -0.52 0.00 0.00 55.73 57.91 1yaj s ARG 171 Cb 0.07 -3.11 -0.06 0.00 0.52 0.00 0.00 34.95 32.37 1yaj s ARG 171 CO 0.12 -0.41 0.13 -0.51 0.02 0.00 0.00 175.30 174.65 1yaj s LEU 172 N -0.45 3.03 0.00 2.53 1.43 -1.26 -3.98 118.68 119.98 1yaj s LEU 172 Ca 0.59 -1.18 0.00 0.00 -1.03 0.00 0.00 54.13 52.51 1yaj s LEU 172 Cb -0.42 -1.27 0.00 0.00 0.03 0.00 0.00 46.19 44.53 1yaj s LEU 172 CO 0.44 -0.53 0.00 0.61 0.23 0.00 0.00 176.35 177.10 1yaj n GLY 173 N -1.17 1.72 0.38 -3.19 0.00 -0.34 -1.39 105.19 101.21 1yaj n GLY 173 Ca -0.02 -0.38 0.15 0.00 0.00 0.00 0.00 46.02 45.77 1yaj n GLY 173 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1yaj h ILE 174 N 0.00 0.78 -0.60 -0.61 2.04 -1.92 0.78 117.51 117.98 1yaj h ILE 174 Ca 0.00 -0.17 -0.06 0.00 1.00 0.00 0.00 64.86 65.63 1yaj h ILE 174 Cb 0.00 0.25 -0.03 0.00 -0.74 0.00 0.00 36.82 36.30 1yaj h ILE 174 CO 0.00 0.09 0.13 -0.50 0.00 0.00 0.00 178.15 177.87 1yaj h TRP 175 N 0.49 0.99 -0.00 1.37 6.55 -1.63 -2.97 115.95 120.74 1yaj h TRP 175 Ca 0.41 -0.11 0.00 0.00 0.95 0.00 0.00 58.89 60.14 1yaj h TRP 175 Cb 0.87 -0.28 0.00 0.00 -0.86 0.00 0.00 29.16 28.89 1yaj h TRP 175 CO -0.00 0.82 -0.38 0.41 -1.05 0.00 0.00 178.44 178.25 1yaj n GLY 176 N -0.76 -0.00 0.00 1.49 0.00 -0.49 -4.53 105.19 100.90 1yaj n GLY 176 Ca 0.04 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1yaj n GLY 176 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1yaj n PHE 177 N -0.89 0.00 -1.87 1.61 3.72 0.18 0.91 117.46 121.12 1yaj n PHE 177 Ca 0.03 -0.12 -0.42 0.00 -0.05 0.00 0.00 57.45 56.88 1yaj n PHE 177 Cb 0.18 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 38.67 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 -0.25 2.67 -0.04 1.38 2.19 -1.12 -4.45 117.98 118.36 1yaj s PHE 178 Ca 0.00 0.38 -0.01 0.00 0.33 0.00 0.00 56.93 57.62 1yaj s PHE 178 Cb 0.00 -4.01 0.03 0.00 -1.31 0.00 0.00 43.02 37.73 1yaj s PHE 178 CO 0.00 -3.93 0.08 0.45 1.83 0.00 0.00 175.22 173.64 1yaj s SER 179 N 1.85 0.08 0.00 6.13 0.15 -1.26 -3.99 113.70 116.66 1yaj s SER 179 Ca 0.74 0.14 0.25 0.00 0.70 0.00 0.00 55.95 57.78 1yaj s SER 179 Cb -0.44 0.03 0.91 0.00 -1.71 0.00 0.00 66.02 64.81 1yaj s SER 179 CO 0.33 -0.15 1.65 0.35 1.20 0.00 0.00 173.24 176.62 1yaj n THR 180 N 4.29 0.10 -2.62 6.45 -2.24 -0.66 -4.44 114.28 115.15 1yaj n THR 180 Ca -0.26 -0.30 -0.09 0.00 -2.27 0.00 0.00 64.05 61.14 1yaj n THR 180 Cb 0.51 0.45 0.04 0.00 -2.10 0.00 0.00 70.33 69.23 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 1.16 -0.11 0.00 3.38 0.00 -1.26 -4.31 105.19 104.06 1yaj n GLY 181 Ca 0.18 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -2.30 0.00 0.00 1.61 3.85 -1.26 -4.95 116.55 113.50 1yaj n ASP 182 Ca -0.10 -0.73 0.12 0.00 -0.71 0.00 0.00 54.79 53.37 1yaj n ASP 182 Cb 0.58 0.00 0.58 0.00 -1.35 0.00 0.00 41.12 40.93 1yaj n ASP 182 CO 0.00 0.00 0.00 -1.84 -1.01 0.00 0.00 177.20 174.35 1yaj n GLU 183 N 0.00 0.14 0.00 0.11 0.00 -1.26 -1.80 120.64 117.83 1yaj n GLU 183 Ca 0.00 0.06 0.13 0.00 0.00 0.00 0.00 57.16 57.35 1yaj n GLU 183 Cb 0.00 -1.50 0.50 0.00 0.00 0.00 0.00 31.44 30.44 1yaj n GLU 183 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1yaj n HIS 184 N -1.42 0.00 -2.65 -1.84 8.25 -1.26 -4.57 115.22 111.73 1yaj n HIS 184 Ca 0.08 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.51 1yaj n HIS 184 Cb 0.26 -0.41 0.09 0.00 1.12 0.00 0.00 29.99 31.05 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 -1.48 -1.09 -0.28 0.41 2.88 -1.16 -4.88 113.62 108.02 1yaj n SER 185 Ca 0.07 -1.60 0.10 0.00 -1.33 0.00 0.00 58.87 56.11 1yaj n SER 185 Cb 0.34 0.73 0.25 0.00 -0.75 0.00 0.00 64.21 64.78 1yaj n SER 185 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1yaj h ARG 186 N 2.71 0.26 0.00 -1.46 3.08 -1.60 -1.75 114.38 115.62 1yaj h ARG 186 Ca -0.28 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.75 1yaj h ARG 186 Cb 1.23 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.22 1yaj h ARG 186 CO -0.18 0.18 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 1yaj n GLY 187 N -1.36 -1.01 2.45 0.04 0.00 -1.26 -4.60 105.19 99.45 1yaj n GLY 187 Ca 0.19 -2.08 -0.10 0.00 0.00 0.00 0.00 46.02 44.03 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 -4.40 -0.30 1.61 3.02 -1.24 -4.77 115.26 109.18 1yaj n ASN 188 Ca 0.00 0.24 0.11 0.00 -0.03 0.00 0.00 54.58 54.90 1yaj n ASN 188 Cb 0.00 -3.44 0.25 0.00 -0.61 0.00 0.00 39.78 35.98 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 0.14 -0.41 3.10 -0.00 -0.90 0.25 115.95 118.13 1yaj h TRP 189 Ca -0.20 0.06 0.06 0.00 -0.00 0.00 0.00 58.89 58.81 1yaj h TRP 189 Cb 0.94 0.08 -0.05 0.00 -0.00 0.00 0.00 29.16 30.13 1yaj h TRP 189 CO 0.47 -0.28 0.11 0.78 -0.00 0.00 0.00 178.44 179.51 1yaj h GLY 190 N 0.12 0.50 1.86 1.49 0.00 0.36 -1.29 103.07 106.12 1yaj h GLY 190 Ca 0.53 -0.05 -0.05 0.00 0.00 0.00 0.00 47.33 47.76 1yaj h GLY 190 CO -0.73 -0.01 -0.18 0.45 0.00 0.00 0.00 176.54 176.07 1yaj h HIS 191 N 0.25 0.18 -0.53 5.60 3.86 -0.84 -2.08 115.15 121.58 1yaj h HIS 191 Ca 0.19 -0.02 -0.08 0.00 -1.16 0.00 0.00 60.37 59.30 1yaj h HIS 191 Cb 0.21 -0.05 -0.02 0.00 1.06 0.00 0.00 27.41 28.61 1yaj h HIS 191 CO -0.18 0.34 0.03 -0.07 0.86 0.00 0.00 177.93 178.91 1yaj h LEU 192 N 0.16 0.90 -1.24 2.43 3.38 0.02 -2.05 115.31 118.91 1yaj h LEU 192 Ca 0.03 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 1yaj h LEU 192 Cb 0.41 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 1yaj h LEU 192 CO 0.03 0.98 0.31 0.44 0.09 0.00 0.00 178.44 180.28 1yaj h ASP 193 N 0.80 0.75 0.84 -0.43 3.32 -0.63 0.50 116.42 121.57 1yaj h ASP 193 Ca 0.15 -0.06 -0.04 0.00 0.02 0.00 0.00 57.03 57.10 1yaj h ASP 193 Cb 0.50 -0.19 0.01 0.00 0.22 0.00 0.00 39.33 39.87 1yaj h ASP 193 CO 0.02 0.62 -0.40 1.56 -1.72 0.00 0.00 179.24 179.32 1yaj h GLN 194 N 0.84 -1.09 -0.63 3.56 4.20 -1.22 0.43 115.11 121.20 1yaj h GLN 194 Ca 0.21 0.07 0.12 0.00 0.06 0.00 0.00 58.65 59.12 1yaj h GLN 194 Cb 0.05 0.25 -0.12 0.00 0.30 0.00 0.00 27.48 27.96 1yaj h GLN 194 CO -0.03 -0.73 -0.19 0.28 -0.67 0.00 0.00 178.83 177.49 1yaj h VAL 195 N -1.30 0.32 -0.80 -0.54 2.07 -1.01 1.38 116.25 116.36 1yaj h VAL 195 Ca -0.12 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.64 1yaj h VAL 195 Cb 0.87 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 1yaj h VAL 195 CO 0.19 0.00 0.59 0.00 0.02 0.00 0.00 177.57 178.37 1yaj h ALA 196 N 1.52 2.73 0.01 1.67 0.00 0.45 0.63 119.26 126.28 1yaj h ALA 196 Ca 0.30 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.09 1yaj h ALA 196 Cb 0.49 0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.35 1yaj h ALA 196 CO -0.67 -1.00 -0.35 0.00 0.00 0.00 0.00 179.25 177.23 1yaj h ALA 197 N 1.56 0.03 -0.61 0.00 0.00 0.63 -2.99 119.26 117.88 1yaj h ALA 197 Ca 0.38 -0.51 0.10 0.00 0.00 0.00 0.00 54.91 54.88 1yaj h ALA 197 Cb 1.56 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.33 1yaj h ALA 197 CO -0.00 0.16 0.41 -0.07 0.00 0.00 0.00 179.25 179.74 1yaj h LEU 198 N -0.44 0.39 -0.93 0.00 3.38 0.35 0.12 115.31 118.18 1yaj h LEU 198 Ca -0.05 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 1yaj h LEU 198 Cb 1.12 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 1yaj h LEU 198 CO 0.07 0.24 -0.16 0.03 0.09 0.00 0.00 178.44 178.70 1yaj h ARG 199 N 0.44 0.60 -0.20 1.13 2.47 -0.52 -2.70 114.38 115.59 1yaj h ARG 199 Ca 0.28 -0.20 -0.11 0.00 -1.26 0.00 0.00 59.98 58.69 1yaj h ARG 199 Cb 0.53 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.78 1yaj h ARG 199 CO -0.08 0.74 -0.34 2.35 0.56 0.00 0.00 179.97 183.19 1yaj h TRP 200 N 0.54 0.49 -0.68 3.04 7.01 -0.64 -2.77 115.95 122.93 1yaj h TRP 200 Ca 0.09 -0.12 -0.07 0.00 2.11 0.00 0.00 58.89 60.89 1yaj h TRP 200 Cb 0.59 -0.11 -0.03 0.00 -2.10 0.00 0.00 29.16 27.51 1yaj h TRP 200 CO 0.02 0.72 0.14 0.28 -2.79 0.00 0.00 178.44 176.81 1yaj h VAL 201 N 0.37 1.26 -0.62 2.65 2.07 -1.11 -2.29 116.25 118.58 1yaj h VAL 201 Ca 0.04 -1.00 -0.06 0.00 0.82 0.00 0.00 66.70 66.50 1yaj h VAL 201 Cb 0.78 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 1yaj h VAL 201 CO 0.06 0.38 0.13 -0.61 0.02 0.00 0.00 177.57 177.55 1yaj h GLN 202 N 1.04 0.98 -0.64 1.57 4.15 -1.21 -2.10 115.11 118.91 1yaj h GLN 202 Ca 0.21 -0.23 0.00 0.00 0.77 0.00 0.00 58.65 59.40 1yaj h GLN 202 Cb 0.40 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 27.96 1yaj h GLN 202 CO 0.01 0.89 0.00 -0.25 -1.93 0.00 0.00 178.83 177.54 1yaj n ASP 203 N -4.24 4.73 0.11 -0.69 8.00 -1.13 -4.75 116.55 118.58 1yaj n ASP 203 Ca 0.04 -2.45 0.00 0.00 0.71 0.00 0.00 54.79 53.09 1yaj n ASP 203 Cb 0.26 -0.57 0.00 0.00 -0.02 0.00 0.00 41.12 40.79 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 1.08 -1.05 -0.44 -2.24 3.02 -0.87 -4.51 115.26 110.25 1yaj n ASN 204 Ca 0.26 0.40 0.34 0.00 -0.03 0.00 0.00 54.58 55.54 1yaj n ASN 204 Cb 0.89 1.13 0.52 0.00 -0.61 0.00 0.00 39.78 41.70 1yaj n ASN 204 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1yaj n ILE 205 N -3.09 0.00 -0.25 2.41 0.13 -0.80 0.73 119.36 118.48 1yaj n ILE 205 Ca 0.00 0.94 0.22 0.00 -1.10 0.00 0.00 62.75 62.81 1yaj n ILE 205 Cb 0.00 -1.56 0.56 0.00 -0.84 0.00 0.00 39.64 37.80 1yaj n ILE 205 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1yaj h ALA 206 N 0.62 2.36 0.00 1.51 0.00 -1.76 0.23 119.26 122.23 1yaj h ALA 206 Ca 0.59 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.52 1yaj h ALA 206 Cb 2.38 0.01 0.00 0.00 0.00 0.00 0.00 17.79 20.18 1yaj h ALA 206 CO -0.01 -0.67 0.00 0.43 0.00 0.00 0.00 179.25 179.00 1yaj n SER 207 N -4.48 0.00 -1.26 0.00 7.64 0.22 -3.04 113.62 112.71 1yaj n SER 207 Ca 0.21 0.40 -0.05 0.00 1.01 0.00 0.00 58.87 60.43 1yaj n SER 207 Cb 0.80 -0.46 0.20 0.00 -1.01 0.00 0.00 64.21 63.75 1yaj n SER 207 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1yaj n PHE 208 N -1.46 1.29 -1.74 1.43 3.01 0.79 -4.80 117.46 115.98 1yaj n PHE 208 Ca 0.06 -1.57 -0.14 0.00 1.01 0.00 0.00 57.45 56.81 1yaj n PHE 208 Cb 0.23 -0.53 -0.04 0.00 -0.01 0.00 0.00 39.48 39.13 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 -1.07 0.79 3.51 1.37 0.00 -1.17 -4.78 105.19 103.83 1yaj n GLY 209 Ca 0.35 -0.36 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.67 1.61 -0.39 -0.02 0.00 -1.07 -0.31 107.32 104.47 1yaj s GLY 210 Ca 0.00 -1.07 -0.21 0.00 0.00 0.00 0.00 44.72 43.44 1yaj s GLY 210 CO 0.00 -0.92 0.64 0.21 0.00 0.00 0.00 173.10 173.03 1yaj s ASN 211 N -1.21 6.38 0.00 1.64 2.47 0.07 -3.50 114.94 120.79 1yaj s ASN 211 Ca 0.14 -0.05 0.05 0.00 0.42 0.00 0.00 52.86 53.43 1yaj s ASN 211 Cb -0.11 -2.33 0.27 0.00 -1.45 0.00 0.00 41.25 37.64 1yaj s ASN 211 CO 0.04 -0.67 0.96 -0.81 -3.72 0.00 0.00 177.10 172.90 1yaj n PRO 212 N 6.15 0.09 -0.96 0.43 -0.04 -1.26 -1.99 135.00 137.43 1yaj n PRO 212 Ca -0.01 0.19 -0.05 0.00 -0.04 0.00 0.00 63.50 63.59 1yaj n PRO 212 Cb 0.48 -1.50 0.28 0.00 -0.04 0.00 0.00 33.50 32.73 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 -0.82 3.88 1.63 0.55 0.00 -1.26 -4.36 105.19 104.81 1yaj n GLY 213 Ca 0.03 -1.03 -0.03 0.00 0.00 0.00 0.00 46.02 44.98 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 -0.35 -0.55 -4.60 1.61 2.88 -0.84 -4.94 113.62 106.83 1yaj n SER 214 Ca 0.39 -2.05 -0.43 0.00 -1.33 0.00 0.00 58.87 55.45 1yaj n SER 214 Cb 1.32 0.22 -0.02 0.00 -0.75 0.00 0.00 64.21 64.98 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 -0.28 3.79 -0.27 2.46 1.01 -1.26 -3.08 120.40 122.77 1yaj s VAL 215 Ca 0.10 0.78 -0.11 0.00 0.00 0.00 0.00 61.98 62.75 1yaj s VAL 215 Cb 0.20 -4.12 -0.05 0.00 0.00 0.00 0.00 36.38 32.41 1yaj s VAL 215 CO -0.06 -0.75 0.20 -0.89 0.00 0.00 0.00 175.10 173.60 1yaj s THR 216 N 5.90 5.31 0.08 3.92 2.01 -0.06 -0.97 115.64 131.83 1yaj s THR 216 Ca 0.64 0.21 0.00 0.00 0.31 0.00 0.00 61.69 62.86 1yaj s THR 216 Cb -0.15 -3.54 -0.04 0.00 0.01 0.00 0.00 72.50 68.78 1yaj s THR 216 CO 0.32 0.26 0.23 0.27 -0.69 0.00 0.00 174.62 175.01 1yaj s ILE 217 N 1.65 5.37 0.11 1.82 -4.36 0.42 -1.16 121.20 125.04 1yaj s ILE 217 Ca 0.08 -0.44 -0.23 0.00 -0.26 0.00 0.00 60.65 59.81 1yaj s ILE 217 Cb -0.15 -3.66 0.06 0.00 1.25 0.00 0.00 42.46 39.96 1yaj s ILE 217 CO 0.10 0.08 0.56 0.72 0.24 0.00 0.00 174.94 176.64 1yaj s PHE 218 N -1.57 -0.47 0.13 1.37 -0.71 -0.86 -0.50 117.98 115.37 1yaj s PHE 218 Ca 0.35 0.37 -0.26 0.00 -1.04 0.00 0.00 56.93 56.36 1yaj s PHE 218 Cb -0.13 0.44 0.07 0.00 -1.21 0.00 0.00 43.02 42.20 1yaj s PHE 218 CO 0.28 -0.75 1.01 0.20 -1.34 0.00 0.00 175.22 174.61 1yaj s GLY 219 N -2.42 -0.25 0.01 1.99 0.00 -0.87 0.08 107.32 105.86 1yaj s GLY 219 Ca -0.01 0.19 0.06 0.00 0.00 0.00 0.00 44.72 44.96 1yaj s GLY 219 CO -0.08 0.03 -0.18 1.85 0.00 0.00 0.00 173.10 174.72 1yaj s GLU 220 N -3.16 1.38 7.62 2.90 -6.30 -1.25 -0.89 118.70 118.99 1yaj s GLU 220 Ca 0.13 -0.75 0.00 0.00 -2.50 0.00 0.00 54.97 51.85 1yaj s GLU 220 Cb -0.01 -1.39 0.00 0.00 0.00 0.00 0.00 34.13 32.74 1yaj s GLU 220 CO 0.02 0.37 0.00 0.43 0.02 0.00 0.00 175.26 176.09 1yaj n SER 221 N 2.30 0.00 -0.12 -1.70 7.64 -0.14 -1.61 113.62 120.00 1yaj n SER 221 Ca -0.16 0.00 0.20 0.00 1.01 0.00 0.00 58.87 59.92 1yaj n SER 221 Cb 0.54 0.00 0.61 0.00 -1.01 0.00 0.00 64.21 64.34 1yaj n SER 221 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1yaj h ALA 222 N -0.95 2.38 0.00 -0.43 0.00 -1.89 1.03 119.26 119.40 1yaj h ALA 222 Ca 0.00 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 1yaj h ALA 222 Cb 0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1yaj h ALA 222 CO 0.00 -0.58 -0.69 0.78 0.00 0.00 0.00 179.25 178.76 1yaj h GLY 223 N 0.20 0.00 1.43 0.00 0.00 -1.41 -1.71 103.07 101.58 1yaj h GLY 223 Ca 0.35 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.51 1yaj h GLY 223 CO -0.07 0.00 -0.56 -1.33 0.00 0.00 0.00 176.54 174.58 1yaj h GLY 224 N 2.65 0.66 0.76 4.60 0.00 0.10 -1.55 103.07 110.29 1yaj h GLY 224 Ca -0.01 -0.77 -0.03 0.00 0.00 0.00 0.00 47.33 46.52 1yaj h GLY 224 CO 0.09 0.69 -0.04 -2.09 0.00 0.00 0.00 176.54 175.19 1yaj h GLU 225 N 0.46 0.29 -0.13 4.80 4.22 -0.10 -2.76 114.58 121.36 1yaj h GLU 225 Ca 0.01 -0.11 0.03 0.00 0.08 0.00 0.00 59.36 59.37 1yaj h GLU 225 Cb 1.11 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 30.28 1yaj h GLU 225 CO 0.11 0.57 -0.52 0.77 -2.18 0.00 0.00 179.01 177.76 1yaj h SER 226 N -0.02 -1.65 -0.94 1.04 0.02 -1.22 0.27 113.55 111.06 1yaj h SER 226 Ca 0.04 0.20 0.28 0.00 -0.84 0.00 0.00 61.79 61.47 1yaj h SER 226 Cb 0.47 0.65 -0.15 0.00 0.14 0.00 0.00 62.40 63.51 1yaj h SER 226 CO 0.02 -0.48 0.33 0.58 -1.14 0.00 0.00 176.83 176.13 1yaj h VAL 227 N -0.57 0.24 -0.36 2.27 2.07 -1.24 1.33 116.25 119.99 1yaj h VAL 227 Ca 0.04 -0.07 -0.15 0.00 0.82 0.00 0.00 66.70 67.35 1yaj h VAL 227 Cb 0.68 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 1yaj h VAL 227 CO -0.43 0.04 -0.36 -1.28 0.02 0.00 0.00 177.57 175.56 1yaj h SER 228 N 0.19 0.88 0.32 0.57 0.87 -0.33 -2.28 113.55 113.77 1yaj h SER 228 Ca 0.63 -0.38 -0.02 0.00 -1.23 0.00 0.00 61.79 60.79 1yaj h SER 228 Cb 1.38 -0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 63.09 1yaj h SER 228 CO -0.69 1.14 -0.12 0.58 -0.53 0.00 0.00 176.83 177.22 1yaj h VAL 229 N 0.69 0.63 0.00 2.23 2.07 0.47 0.06 116.25 122.40 1yaj h VAL 229 Ca 0.06 -0.51 -0.06 0.00 0.82 0.00 0.00 66.70 67.02 1yaj h VAL 229 Cb 0.92 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 32.00 1yaj h VAL 229 CO 0.08 0.12 -0.27 -0.07 0.02 0.00 0.00 177.57 177.45 1yaj h LEU 230 N 0.00 0.00 -0.00 2.57 3.38 -0.20 -3.09 115.31 117.97 1yaj h LEU 230 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1yaj h LEU 230 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1yaj h LEU 230 CO 0.02 0.27 -0.13 0.52 0.09 0.00 0.00 178.44 179.21 1yaj n VAL 231 N -3.20 0.00 -0.67 1.22 0.31 -0.01 -3.31 118.33 112.67 1yaj n VAL 231 Ca 0.02 -0.00 0.07 0.00 -0.01 0.00 0.00 64.34 64.42 1yaj n VAL 231 Cb 0.61 -0.30 0.16 0.00 -0.91 0.00 0.00 33.84 33.39 1yaj n VAL 231 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1yaj n LEU 232 N -1.50 2.91 -4.30 7.52 4.77 -1.07 -5.00 117.00 120.33 1yaj n LEU 232 Ca 0.07 -2.65 -0.32 0.00 -0.03 0.00 0.00 56.01 53.07 1yaj n LEU 232 Cb 0.34 -0.35 -0.16 0.00 -2.33 0.00 0.00 43.42 40.92 1yaj n LEU 232 CO 0.29 0.66 -0.53 -0.55 -1.33 0.00 0.00 177.39 175.94 1yaj s SER 233 N -1.85 3.39 0.48 -1.43 0.15 -1.18 -4.73 113.70 108.53 1yaj s SER 233 Ca 0.28 -0.45 0.22 0.00 0.70 0.00 0.00 55.95 56.70 1yaj s SER 233 Cb 0.22 -1.19 1.20 0.00 -1.71 0.00 0.00 66.02 64.53 1yaj s SER 233 CO 0.07 0.21 1.99 -0.65 1.20 0.00 0.00 173.24 176.06 1yaj h PRO 234 N 6.33 0.00 -0.38 5.44 0.11 -1.85 -2.77 132.00 138.88 1yaj h PRO 234 Ca -0.28 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.72 1yaj h PRO 234 Cb 1.20 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 1yaj h PRO 234 CO 0.49 0.19 -0.20 -0.07 -0.21 0.00 0.00 178.00 178.20 1yaj h LEU 235 N 0.00 0.74 -0.77 2.35 3.38 -1.86 -2.68 115.31 116.47 1yaj h LEU 235 Ca -0.00 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1yaj h LEU 235 Cb 0.43 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1yaj h LEU 235 CO 0.02 0.93 0.00 0.00 0.09 0.00 0.00 178.44 179.48 1yaj n ALA 236 N -2.49 2.58 -1.69 1.53 0.00 -1.05 -4.88 120.51 114.50 1yaj n ALA 236 Ca 0.00 -0.40 -0.43 0.00 0.00 0.00 0.00 53.44 52.61 1yaj n ALA 236 Cb 0.41 -1.20 -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 -0.05 2.73 -1.77 0.00 4.81 -1.01 -2.03 118.16 120.84 1yaj n LYS 237 Ca 0.18 0.99 -0.06 0.00 -0.87 0.00 0.00 58.31 58.56 1yaj n LYS 237 Cb 0.28 -2.88 -0.01 0.00 0.02 0.00 0.00 35.03 32.44 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 5.56 -2.82 -0.02 3.14 3.02 -1.26 -4.92 115.26 117.97 1yaj n ASN 238 Ca 0.18 0.05 0.00 0.00 -0.03 0.00 0.00 54.58 54.78 1yaj n ASN 238 Cb 0.36 -1.70 0.00 0.00 -0.61 0.00 0.00 39.78 37.84 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 -0.76 1.22 -3.55 3.41 4.77 -0.86 -5.03 117.00 116.21 1yaj n LEU 239 Ca -0.06 -1.19 -0.15 0.00 -0.03 0.00 0.00 56.01 54.57 1yaj n LEU 239 Cb 0.42 -0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.45 1yaj n LEU 239 CO 0.08 0.30 0.55 0.72 -1.33 0.00 0.00 177.39 177.72 1yaj s PHE 240 N -0.22 -0.57 -0.04 -1.77 -0.71 -1.26 -4.85 117.98 108.56 1yaj s PHE 240 Ca 0.01 1.01 0.06 0.00 -1.04 0.00 0.00 56.93 56.96 1yaj s PHE 240 Cb 0.00 0.41 0.08 0.00 -1.21 0.00 0.00 43.02 42.31 1yaj s PHE 240 CO 0.00 -0.51 1.01 0.72 -1.34 0.00 0.00 175.22 175.11 1yaj n HIS 241 N 0.97 0.00 -3.64 3.49 8.25 -0.14 -4.95 115.22 119.20 1yaj n HIS 241 Ca -0.16 -0.60 -0.09 0.00 -0.26 0.00 0.00 57.72 56.61 1yaj n HIS 241 Cb 0.57 -0.08 -0.07 0.00 1.12 0.00 0.00 29.99 31.54 1yaj n HIS 241 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1yaj s ARG 242 N -1.46 0.52 0.10 -0.41 0.52 -1.25 -4.33 118.95 112.65 1yaj s ARG 242 Ca 0.09 0.60 0.06 0.00 -0.52 0.00 0.00 55.73 55.96 1yaj s ARG 242 Cb 0.08 0.25 -0.03 0.00 0.52 0.00 0.00 34.95 35.77 1yaj s ARG 242 CO 0.01 -0.07 -0.15 0.00 0.02 0.00 0.00 175.30 175.11 1yaj s ALA 243 N 0.18 1.42 -0.11 2.13 0.00 -0.85 -0.44 121.76 124.09 1yaj s ALA 243 Ca 0.03 -1.16 -0.04 0.00 0.00 0.00 0.00 51.96 50.79 1yaj s ALA 243 Cb -0.05 -0.11 0.06 0.00 0.00 0.00 0.00 23.12 23.02 1yaj s ALA 243 CO -0.06 0.17 0.20 0.42 0.00 0.00 0.00 175.76 176.49 1yaj s ILE 244 N -1.62 -0.31 -0.33 0.00 1.01 0.35 -1.33 121.20 118.97 1yaj s ILE 244 Ca 0.04 0.27 -0.05 0.00 0.00 0.00 0.00 60.65 60.92 1yaj s ILE 244 Cb -0.08 -0.39 0.05 0.00 0.01 0.00 0.00 42.46 42.05 1yaj s ILE 244 CO 0.03 0.09 0.07 -0.44 0.00 0.00 0.00 174.94 174.69 1yaj s SER 245 N 2.33 5.16 -0.23 3.58 0.01 0.17 -2.05 113.70 122.67 1yaj s SER 245 Ca 0.03 -1.22 -0.11 0.00 1.31 0.00 0.00 55.95 55.95 1yaj s SER 245 Cb -0.12 -1.81 -0.05 0.00 0.21 0.00 0.00 66.02 64.25 1yaj s SER 245 CO -0.07 -0.31 0.20 -1.61 0.41 0.00 0.00 173.24 171.86 1yaj s GLU 246 N 1.34 4.10 -1.46 12.44 2.02 -0.07 -2.16 118.70 134.92 1yaj s GLU 246 Ca -0.03 -0.17 -0.03 0.00 0.02 0.00 0.00 54.97 54.76 1yaj s GLU 246 Cb -0.20 -3.53 0.03 0.00 0.10 0.00 0.00 34.13 30.53 1yaj s GLU 246 CO 0.01 0.07 0.48 0.43 0.02 0.00 0.00 175.26 176.28 1yaj n SER 247 N 4.23 -0.89 0.00 -0.19 7.64 -0.86 -0.96 113.62 122.59 1yaj n SER 247 Ca -0.14 -1.00 0.00 0.00 1.01 0.00 0.00 58.87 58.74 1yaj n SER 247 Cb 0.52 -3.01 0.00 0.00 -1.01 0.00 0.00 64.21 60.71 1yaj n SER 247 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1yaj n GLY 248 N -1.90 2.37 3.56 0.23 0.00 -1.26 -3.46 105.19 104.73 1yaj n GLY 248 Ca -0.24 -0.04 -0.11 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.01 0.00 0.29 1.61 -7.23 -1.26 -3.95 120.40 108.85 1yaj s VAL 249 Ca 0.00 -1.45 -0.02 0.00 -1.81 0.00 0.00 61.98 58.70 1yaj s VAL 249 Cb 0.00 -2.44 0.23 0.00 0.56 0.00 0.00 36.38 34.73 1yaj s VAL 249 CO 0.00 0.00 1.92 0.00 -0.31 0.00 0.00 175.10 176.71 1yaj h ALA 250 N 2.19 1.34 0.00 1.32 0.00 -1.87 -2.52 119.26 119.72 1yaj h ALA 250 Ca -0.28 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1yaj h ALA 250 Cb 1.25 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1yaj h ALA 250 CO 0.38 0.55 0.00 1.28 0.00 0.00 0.00 179.25 181.45 1yaj n LEU 251 N -4.37 0.59 -4.62 0.00 4.77 -1.26 -4.59 117.00 107.52 1yaj n LEU 251 Ca 0.08 0.74 -0.43 0.00 -0.03 0.00 0.00 56.01 56.37 1yaj n LEU 251 Cb 0.09 -0.77 -0.03 0.00 -2.33 0.00 0.00 43.42 40.38 1yaj n LEU 251 CO 0.38 -0.85 1.66 -0.89 -1.33 0.00 0.00 177.39 176.36 1yaj s THR 252 N -3.49 3.22 0.07 -5.08 2.01 -0.95 -4.89 115.64 106.53 1yaj s THR 252 Ca -0.01 0.24 -0.34 0.00 0.31 0.00 0.00 61.69 61.89 1yaj s THR 252 Cb 0.07 -3.26 -0.18 0.00 0.01 0.00 0.00 72.50 69.15 1yaj s THR 252 CO 0.25 -0.13 1.52 0.28 -0.69 0.00 0.00 174.62 175.85 1yaj h SER 253 N 13.09 -1.20 -0.54 3.53 0.02 -1.86 -3.25 113.55 123.34 1yaj h SER 253 Ca -0.40 0.07 0.08 0.00 -0.84 0.00 0.00 61.79 60.70 1yaj h SER 253 Cb 1.21 0.36 -0.08 0.00 0.14 0.00 0.00 62.40 64.02 1yaj h SER 253 CO 0.98 -0.69 -0.23 0.55 -1.14 0.00 0.00 176.83 176.30 1yaj n VAL 254 N -5.36 -0.30 1.21 2.27 3.14 -1.26 0.20 118.33 118.22 1yaj n VAL 254 Ca -0.13 1.28 0.14 0.00 -2.96 0.00 0.00 64.34 62.67 1yaj n VAL 254 Cb 0.47 -1.68 0.59 0.00 -1.06 0.00 0.00 33.84 32.16 1yaj n VAL 254 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1yaj n LEU 255 N -4.79 0.21 -4.10 6.55 4.32 -1.24 -4.17 117.00 113.77 1yaj n LEU 255 Ca 0.05 0.24 -0.33 0.00 -0.02 0.00 0.00 56.01 55.95 1yaj n LEU 255 Cb 0.21 -0.33 -0.15 0.00 -1.62 0.00 0.00 43.42 41.53 1yaj n LEU 255 CO -0.08 0.04 -0.49 -0.69 -1.22 0.00 0.00 177.39 174.95 1yaj s VAL 256 N -2.76 2.15 0.46 4.08 1.01 0.13 -0.81 120.40 124.67 1yaj s VAL 256 Ca 0.21 -1.24 -0.21 0.00 0.00 0.00 0.00 61.98 60.74 1yaj s VAL 256 Cb 0.19 -2.07 -0.10 0.00 0.00 0.00 0.00 36.38 34.40 1yaj s VAL 256 CO 0.53 0.28 1.00 -0.54 0.00 0.00 0.00 175.10 176.36 1yaj s LYS 257 N 1.21 4.01 0.02 2.72 -0.14 -0.74 -4.76 119.74 122.06 1yaj s LYS 257 Ca -0.01 1.25 0.02 0.00 -1.36 0.00 0.00 55.97 55.87 1yaj s LYS 257 Cb -0.16 -2.15 -0.01 0.00 -1.68 0.00 0.00 37.83 33.83 1yaj s LYS 257 CO -0.09 -0.24 -0.07 0.15 -0.76 0.00 0.00 175.35 174.34 1yaj s LYS 258 N -3.19 0.50 0.76 1.68 1.02 -1.26 -4.68 119.74 114.57 1yaj s LYS 258 Ca 0.65 -0.47 0.00 0.00 0.02 0.00 0.00 55.97 56.16 1yaj s LYS 258 Cb -0.13 -0.39 0.00 0.00 -0.52 0.00 0.00 37.83 36.79 1yaj s LYS 258 CO 0.17 0.09 0.00 0.41 -0.92 0.00 0.00 175.35 175.10 1yaj n GLY 259 N 2.23 -2.00 3.68 -3.33 0.00 -1.26 -4.81 105.19 99.70 1yaj n GLY 259 Ca -0.18 -1.58 -0.42 0.00 0.00 0.00 0.00 46.02 43.84 1yaj n GLY 259 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1yaj s ASP 260 N -4.00 6.69 0.00 1.61 2.15 -1.26 -4.88 116.67 116.99 1yaj s ASP 260 Ca 0.00 2.33 0.23 0.00 0.43 0.00 0.00 52.55 55.54 1yaj s ASP 260 Cb 0.00 -2.56 0.13 0.00 -0.30 0.00 0.00 42.92 40.20 1yaj s ASP 260 CO 0.00 -0.84 1.17 1.33 -0.17 0.00 0.00 175.17 176.66 1yaj n VAL 261 N 4.81 0.00 -0.20 1.11 0.24 -1.26 -4.46 118.33 118.57 1yaj n VAL 261 Ca 0.15 -0.15 -0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1yaj n VAL 261 Cb 0.42 0.94 0.10 0.00 -1.47 0.00 0.00 33.84 33.83 1yaj n VAL 261 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 1yaj h LYS 262 N 1.40 0.36 -0.84 7.34 3.64 -1.81 -0.60 116.57 126.07 1yaj h LYS 262 Ca 0.00 -0.02 0.18 0.00 -1.27 0.00 0.00 60.65 59.54 1yaj h LYS 262 Cb 0.62 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 32.30 1yaj h LYS 262 CO 0.00 0.24 0.56 -1.35 -2.27 0.00 0.00 179.45 176.63 1yaj h PRO 263 N 0.37 0.38 -0.18 1.90 0.11 -1.94 -0.03 132.00 132.62 1yaj h PRO 263 Ca 0.30 -0.02 -0.18 0.00 0.11 0.00 0.00 66.00 66.21 1yaj h PRO 263 Cb 0.38 -0.09 0.01 0.00 0.11 0.00 0.00 31.00 31.41 1yaj h PRO 263 CO -0.31 0.25 -0.58 1.25 -0.21 0.00 0.00 178.00 178.40 1yaj h LEU 264 N 0.39 0.81 -2.00 2.35 6.46 -1.43 -2.65 115.31 119.24 1yaj h LEU 264 Ca 0.42 -0.60 -0.02 0.00 -0.12 0.00 0.00 57.88 57.57 1yaj h LEU 264 Cb 1.05 -0.24 -0.00 0.00 -0.73 0.00 0.00 40.66 40.74 1yaj h LEU 264 CO -0.14 1.27 -0.08 0.00 -0.62 0.00 0.00 178.44 178.86 1yaj h ALA 265 N 0.56 1.61 0.00 1.25 0.00 -0.57 -1.92 119.26 120.20 1yaj h ALA 265 Ca -0.02 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1yaj h ALA 265 Cb 1.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1yaj h ALA 265 CO 0.12 0.10 -0.00 0.93 0.00 0.00 0.00 179.25 180.41 1yaj h GLU 266 N 0.00 -0.00 -0.08 0.00 5.08 -1.01 -0.87 114.58 117.70 1yaj h GLU 266 Ca -0.00 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1yaj h GLU 266 Cb 0.17 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 1yaj h GLU 266 CO 0.01 0.72 0.06 1.96 -1.00 0.00 0.00 179.01 180.76 1yaj h GLN 267 N -0.72 0.03 -0.01 2.33 1.08 -1.24 0.60 115.11 117.17 1yaj h GLN 267 Ca -0.00 -0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.18 1yaj h GLN 267 Cb 0.72 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.15 1yaj h GLN 267 CO 0.00 0.02 -0.06 0.82 -0.95 0.00 0.00 178.83 178.66 1yaj h ILE 268 N 0.03 1.54 -0.50 2.54 2.04 -1.37 -2.19 117.51 119.61 1yaj h ILE 268 Ca 0.04 -1.68 0.08 0.00 1.00 0.00 0.00 64.86 64.29 1yaj h ILE 268 Cb 0.11 2.65 -0.06 0.00 -0.74 0.00 0.00 36.82 38.77 1yaj h ILE 268 CO -0.00 0.44 0.13 0.00 0.00 0.00 0.00 178.15 178.73 1yaj h ALA 269 N 0.31 0.58 0.39 1.87 0.00 0.06 0.77 119.26 123.23 1yaj h ALA 269 Ca -0.01 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1yaj h ALA 269 Cb 0.76 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1yaj h ALA 269 CO 0.01 -0.27 -0.19 0.82 0.00 0.00 0.00 179.25 179.63 1yaj h ILE 270 N 0.28 0.62 -0.00 0.00 2.04 0.11 -0.72 117.51 119.84 1yaj h ILE 270 Ca 0.25 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.90 1yaj h ILE 270 Cb 0.30 0.73 -0.00 0.00 -0.74 0.00 0.00 36.82 37.11 1yaj h ILE 270 CO -0.29 0.04 0.01 0.74 0.00 0.00 0.00 178.15 178.65 1yaj h THR 271 N -0.64 0.35 0.00 -0.27 2.02 -1.08 0.19 112.91 113.47 1yaj h THR 271 Ca -0.05 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.12 1yaj h THR 271 Cb 0.46 0.99 -0.00 0.00 -1.74 0.00 0.00 68.15 67.87 1yaj h THR 271 CO 0.09 0.00 -0.08 0.00 0.37 0.00 0.00 175.52 175.90 1yaj h ALA 272 N 1.99 0.96 0.00 6.16 0.00 -0.54 -3.47 119.26 124.36 1yaj h ALA 272 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1yaj h ALA 272 Cb 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1yaj h ALA 272 CO -0.00 0.05 0.00 0.41 0.00 0.00 0.00 179.25 179.71 1yaj n GLY 273 N 1.11 1.29 3.79 0.00 0.00 0.65 -5.00 105.19 107.03 1yaj n GLY 273 Ca 0.04 -0.13 -0.23 0.00 0.00 0.00 0.00 46.02 45.70 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 3.11 -0.04 0.00 1.02 -1.26 -4.26 119.74 114.35 1yaj s LYS 275 Ca 0.41 0.20 0.15 0.00 0.02 0.00 0.00 55.97 56.75 1yaj s LYS 275 Cb -0.02 -2.23 0.28 0.00 -0.52 0.00 0.00 37.83 35.34 1yaj s LYS 275 CO 0.25 -0.64 1.12 0.25 -0.92 0.00 0.00 175.35 175.41 1yaj n THR 276 N -2.61 0.50 -0.08 2.17 -2.24 -1.26 -4.38 114.28 106.38 1yaj n THR 276 Ca 0.04 -1.13 -0.07 0.00 -2.27 0.00 0.00 64.05 60.62 1yaj n THR 276 Cb 0.57 0.54 -0.00 0.00 -2.10 0.00 0.00 70.33 69.34 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 5.45 0.42 -4.50 4.28 2.02 -1.95 -3.45 112.91 115.19 1yaj h THR 277 Ca -0.10 0.00 -0.26 0.00 0.77 0.00 0.00 66.41 66.82 1yaj h THR 277 Cb 1.53 0.42 -0.15 0.00 -1.74 0.00 0.00 68.15 68.20 1yaj h THR 277 CO 0.04 0.00 -0.62 0.42 0.37 0.00 0.00 175.52 175.74 1yaj s THR 278 N -6.11 0.07 0.11 3.16 -4.23 -1.26 -5.04 115.64 102.34 1yaj s THR 278 Ca -0.14 -2.00 -0.19 0.00 -1.18 0.00 0.00 61.69 58.17 1yaj s THR 278 Cb 0.13 -2.52 -0.06 0.00 1.34 0.00 0.00 72.50 71.39 1yaj s THR 278 CO 0.69 0.00 1.70 0.28 -0.54 0.00 0.00 174.62 176.75 1yaj h SER 279 N 2.58 0.31 0.18 3.99 0.02 -1.95 -2.40 113.55 116.28 1yaj h SER 279 Ca -0.36 -0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 60.48 1yaj h SER 279 Cb 1.25 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.70 1yaj h SER 279 CO 0.54 0.32 -0.25 0.00 -1.14 0.00 0.00 176.83 176.30 1yaj h ALA 280 N 0.99 -0.88 -1.20 3.77 0.00 -1.97 -2.22 119.26 117.76 1yaj h ALA 280 Ca 0.08 -0.08 0.45 0.00 0.00 0.00 0.00 54.91 55.36 1yaj h ALA 280 Cb 0.09 0.55 -0.16 0.00 0.00 0.00 0.00 17.79 18.27 1yaj h ALA 280 CO -0.01 -0.92 0.72 0.28 0.00 0.00 0.00 179.25 179.32 1yaj h VAL 281 N -0.44 0.02 0.71 0.00 2.07 -1.94 0.34 116.25 117.01 1yaj h VAL 281 Ca -0.02 -0.01 -0.04 0.00 0.82 0.00 0.00 66.70 67.46 1yaj h VAL 281 Cb 0.40 0.00 0.01 0.00 -1.52 0.00 0.00 31.29 30.18 1yaj h VAL 281 CO -0.07 0.00 -0.34 0.24 0.02 0.00 0.00 177.57 177.42 1yaj h MET 282 N 0.02 -0.92 -0.68 1.57 0.00 -0.88 -1.74 114.93 112.29 1yaj h MET 282 Ca 0.86 0.06 0.12 0.00 0.00 0.00 0.00 59.70 60.74 1yaj h MET 282 Cb 2.53 0.21 -0.08 0.00 0.00 0.00 0.00 31.60 34.26 1yaj h MET 282 CO -0.61 -0.59 0.25 0.28 0.00 0.00 0.00 176.91 176.25 1yaj h VAL 283 N -1.11 0.71 -0.01 -2.22 2.07 -0.63 0.19 116.25 115.25 1yaj h VAL 283 Ca -0.10 -0.14 -0.07 0.00 0.82 0.00 0.00 66.70 67.20 1yaj h VAL 283 Cb 0.76 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 1yaj h VAL 283 CO 0.16 0.08 -0.34 -0.74 0.02 0.00 0.00 177.57 176.75 1yaj h HIS 284 N 0.42 0.02 0.12 1.57 -0.00 -1.30 -1.12 115.15 114.86 1yaj h HIS 284 Ca 0.36 -0.00 -0.28 0.00 -0.00 0.00 0.00 60.37 60.45 1yaj h HIS 284 Cb 0.50 -0.01 0.01 0.00 -0.00 0.00 0.00 27.41 27.91 1yaj h HIS 284 CO -0.18 0.36 -1.22 0.00 -0.00 0.00 0.00 177.93 176.90 1yaj h LEU 286 N 0.14 0.00 -1.04 0.00 3.38 -0.58 -3.00 115.31 114.21 1yaj h LEU 286 Ca -0.15 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.73 1yaj h LEU 286 Cb 1.91 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.65 1yaj h LEU 286 CO 0.21 0.22 -0.30 0.03 0.09 0.00 0.00 178.44 178.69 1yaj h ARG 287 N 0.00 0.32 0.00 1.13 3.08 -1.19 -2.70 114.38 115.01 1yaj h ARG 287 Ca -0.00 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 59.93 1yaj h ARG 287 Cb 1.01 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.04 1yaj h ARG 287 CO 0.03 0.59 0.00 1.96 -1.07 0.00 0.00 179.97 181.48 1yaj h GLN 288 N 0.28 0.00 -7.29 0.04 1.08 -1.53 -3.46 115.11 104.23 1yaj h GLN 288 Ca 0.04 0.00 -0.52 0.00 -1.45 0.00 0.00 58.65 56.72 1yaj h GLN 288 Cb 0.67 0.00 0.16 0.00 -0.05 0.00 0.00 27.48 28.26 1yaj h GLN 288 CO 0.05 0.00 0.28 0.15 -0.95 0.00 0.00 178.83 178.36 1yaj s LYS 289 N -3.35 1.74 0.55 1.46 -0.14 -1.02 -5.03 119.74 113.95 1yaj s LYS 289 Ca 0.05 1.34 0.01 0.00 -1.36 0.00 0.00 55.97 56.01 1yaj s LYS 289 Cb 0.09 -1.83 0.03 0.00 -1.68 0.00 0.00 37.83 34.45 1yaj s LYS 289 CO 0.53 -2.06 0.77 0.95 -0.76 0.00 0.00 175.35 174.79 1yaj s THR 290 N -2.78 2.79 0.15 2.17 -4.23 -1.26 -4.93 115.64 107.55 1yaj s THR 290 Ca 0.64 -0.63 -0.13 0.00 -1.18 0.00 0.00 61.69 60.39 1yaj s THR 290 Cb -0.20 -3.05 0.02 0.00 1.34 0.00 0.00 72.50 70.61 1yaj s THR 290 CO 0.56 -0.04 1.61 -0.08 -0.54 0.00 0.00 174.62 176.13 1yaj h GLU 291 N 0.08 0.85 -0.54 3.99 4.81 -1.98 -1.56 114.58 120.23 1yaj h GLU 291 Ca -0.43 -0.26 -0.07 0.00 -0.13 0.00 0.00 59.36 58.47 1yaj h GLU 291 Cb 1.29 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.57 1yaj h GLU 291 CO 0.53 0.88 0.05 0.93 -0.73 0.00 0.00 179.01 180.67 1yaj h GLU 292 N 0.71 0.92 -0.17 1.92 3.07 -1.97 0.15 114.58 119.21 1yaj h GLU 292 Ca 0.14 -0.27 0.00 0.00 -0.50 0.00 0.00 59.36 58.73 1yaj h GLU 292 Cb 0.49 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.29 1yaj h GLU 292 CO 0.02 0.91 0.12 0.93 -1.40 0.00 0.00 179.01 179.59 1yaj h GLU 293 N 0.80 0.23 0.00 2.33 5.08 -1.88 0.19 114.58 121.34 1yaj h GLU 293 Ca 0.16 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.44 1yaj h GLU 293 Cb 0.47 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1yaj h GLU 293 CO 0.02 0.15 -0.33 -0.07 -1.00 0.00 0.00 179.01 177.78 1yaj h LEU 294 N 0.24 0.00 -0.20 1.33 3.38 -1.22 -2.19 115.31 116.65 1yaj h LEU 294 Ca 0.06 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 1yaj h LEU 294 Cb -0.03 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1yaj h LEU 294 CO -0.01 0.33 -0.13 0.25 0.09 0.00 0.00 178.44 178.96 1yaj h LEU 295 N 0.00 0.46 -1.29 1.67 5.85 0.22 -1.14 115.31 121.09 1yaj h LEU 295 Ca -0.00 -0.44 -0.06 0.00 0.84 0.00 0.00 57.88 58.22 1yaj h LEU 295 Cb 0.80 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 1yaj h LEU 295 CO 0.04 0.80 -0.27 -0.08 -0.34 0.00 0.00 178.44 178.59 1yaj h GLU 296 N 0.12 0.00 0.00 1.25 4.81 -0.53 -1.72 114.58 118.52 1yaj h GLU 296 Ca 0.04 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.19 1yaj h GLU 296 Cb 0.64 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.01 1yaj h GLU 296 CO 0.04 0.27 -0.39 1.15 -0.73 0.00 0.00 179.01 179.34 1yaj h THR 297 N 0.00 0.87 -0.13 0.32 2.02 -1.10 -1.68 112.91 113.21 1yaj h THR 297 Ca -0.00 -1.63 -0.21 0.00 0.77 0.00 0.00 66.41 65.33 1yaj h THR 297 Cb 0.68 2.01 0.01 0.00 -1.74 0.00 0.00 68.15 69.10 1yaj h THR 297 CO 0.03 0.39 -0.78 0.74 0.37 0.00 0.00 175.52 176.27 1yaj h THR 298 N 0.00 1.31 0.00 3.16 2.02 -0.31 -2.98 112.91 116.11 1yaj h THR 298 Ca -0.00 -2.04 0.00 0.00 0.77 0.00 0.00 66.41 65.14 1yaj h THR 298 Cb 0.98 2.04 0.00 0.00 -1.74 0.00 0.00 68.15 69.42 1yaj h THR 298 CO 0.05 0.64 0.00 0.18 0.37 0.00 0.00 175.52 176.76 1yaj n LEU 299 N -3.90 0.40 0.03 2.58 4.77 -0.97 -3.12 117.00 116.78 1yaj n LEU 299 Ca -0.07 0.54 0.12 0.00 -0.03 0.00 0.00 56.01 56.57 1yaj n LEU 299 Cb 0.74 -0.43 0.10 0.00 -2.33 0.00 0.00 43.42 41.51 1yaj n LEU 299 CO 0.52 -0.13 0.18 0.29 -1.33 0.00 0.00 177.39 176.92 1yaj n LYS 300 N -1.88 0.23 0.15 3.23 5.02 -0.65 -3.85 118.16 120.41 1yaj n LYS 300 Ca 0.06 0.03 0.07 0.00 -2.02 0.00 0.00 58.31 56.45 1yaj n LYS 300 Cb 0.36 -1.60 0.06 0.00 -0.02 0.00 0.00 35.03 33.83 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 0.00 0.00 -6.11 1.97 2.86 -1.47 -3.48 114.93 108.70 1yaj h MET 301 Ca 0.00 0.00 -0.43 0.00 -2.06 0.00 0.00 59.70 57.21 1yaj h MET 301 Cb 0.69 0.00 0.04 0.00 0.06 0.00 0.00 31.60 32.39 1yaj h MET 301 CO 0.00 0.22 -0.80 1.63 1.06 0.00 0.00 176.91 179.01 1yaj n LYS 302 N -3.06 -5.27 0.21 1.72 5.02 -1.24 -4.93 118.16 110.60 1yaj n LYS 302 Ca 0.01 0.63 0.18 0.00 -2.02 0.00 0.00 58.31 57.12 1yaj n LYS 302 Cb 0.64 -5.31 0.83 0.00 -0.02 0.00 0.00 35.03 31.17 1yaj n LYS 302 CO 0.00 0.00 0.00 0.74 -0.52 0.00 0.00 177.40 177.62 1yaj h PHE 303 N -1.96 0.00 0.00 2.13 0.05 -1.91 -3.26 116.94 111.99 1yaj h PHE 303 Ca -0.60 0.00 -0.26 0.00 3.82 0.00 0.00 57.97 60.93 1yaj h PHE 303 Cb 1.36 0.00 -0.05 0.00 2.00 0.00 0.00 35.95 39.27 1yaj h PHE 303 CO 0.49 0.00 -1.97 1.47 -0.18 0.00 0.00 178.31 178.12 1yaj n LEU 304 N -3.58 2.90 -4.54 1.54 -0.00 -1.26 -4.62 117.00 107.45 1yaj n LEU 304 Ca 0.02 -0.08 -0.44 0.00 -0.00 0.00 0.00 56.01 55.51 1yaj n LEU 304 Cb 0.39 -0.59 -0.01 0.00 -0.00 0.00 0.00 43.42 43.21 1yaj n LEU 304 CO 0.25 0.77 0.40 -1.20 -0.00 0.00 0.00 177.39 177.60 1yaj n SER 305 N -3.04 0.55 -4.75 1.45 7.64 -1.23 -4.82 113.62 109.41 1yaj n SER 305 Ca -0.30 1.12 -0.36 0.00 1.01 0.00 0.00 58.87 60.33 1yaj n SER 305 Cb 0.82 -1.21 -0.07 0.00 -1.01 0.00 0.00 64.21 62.73 1yaj n SER 305 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1yaj s LEU 306 N 0.97 4.25 -0.00 -3.43 2.96 -1.20 -5.03 118.68 117.20 1yaj s LEU 306 Ca 0.61 0.36 -0.24 0.00 -0.22 0.00 0.00 54.13 54.64 1yaj s LEU 306 Cb -0.71 -2.18 -0.05 0.00 0.50 0.00 0.00 46.19 43.75 1yaj s LEU 306 CO 0.59 0.19 0.71 -0.62 -1.32 0.00 0.00 176.35 175.90 1yaj s ASP 307 N 0.16 7.09 -0.07 3.68 3.68 -1.26 -4.98 116.67 124.97 1yaj s ASP 307 Ca 0.12 1.30 -0.01 0.00 2.13 0.00 0.00 52.55 56.10 1yaj s ASP 307 Cb -0.12 -2.43 -0.26 0.00 -1.45 0.00 0.00 42.92 38.66 1yaj s ASP 307 CO 0.01 -0.02 0.57 -0.07 0.13 0.00 0.00 175.17 175.79 1yaj h LEU 308 N 6.05 0.30 -9.24 -1.34 4.07 -1.97 -3.48 115.31 109.70 1yaj h LEU 308 Ca -0.43 -0.60 -0.67 0.00 0.08 0.00 0.00 57.88 56.26 1yaj h LEU 308 Cb 1.20 -0.10 -0.16 0.00 1.08 0.00 0.00 40.66 42.68 1yaj h LEU 308 CO 0.72 1.53 -0.73 0.00 -1.08 0.00 0.00 178.44 178.88 1yaj s GLN 309 N -2.58 2.25 0.00 1.13 0.00 -1.26 -5.03 119.66 114.16 1yaj s GLN 309 Ca -0.14 -0.94 0.00 0.00 -0.00 0.00 0.00 55.36 54.27 1yaj s GLN 309 Cb 0.07 -2.36 0.00 0.00 0.00 0.00 0.00 33.01 30.72 1yaj s GLN 309 CO 0.81 0.53 0.00 0.41 0.00 0.00 0.00 175.29 177.04 1yaj n GLY 310 N 0.93 2.74 3.68 2.60 0.00 -1.26 -4.98 105.19 108.89 1yaj n GLY 310 Ca -0.14 -1.90 -0.45 0.00 0.00 0.00 0.00 46.02 43.53 1yaj n GLY 310 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1yaj n ASP 311 N 0.00 3.25 -0.23 1.61 -0.08 -1.26 -4.86 116.55 114.98 1yaj n ASP 311 Ca 0.00 1.08 0.03 0.00 -1.51 0.00 0.00 54.79 54.39 1yaj n ASP 311 Cb 0.00 -1.45 0.14 0.00 2.34 0.00 0.00 41.12 42.15 1yaj n ASP 311 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1yaj h PRO 312 N 6.05 0.38 -0.31 -0.67 0.11 -1.94 -1.25 132.00 134.37 1yaj h PRO 312 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1yaj h PRO 312 Cb 1.24 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1yaj h PRO 312 CO 0.90 0.25 0.00 0.54 -0.21 0.00 0.00 178.00 179.48 1yaj n ARG 313 N -5.03 0.56 0.00 1.05 1.74 -1.26 -2.51 116.66 111.21 1yaj n ARG 313 Ca 0.11 0.00 0.07 0.00 -0.77 0.00 0.00 57.85 57.27 1yaj n ARG 313 Cb 0.35 -1.16 0.02 0.00 -1.02 0.00 0.00 32.46 30.65 1yaj n ARG 313 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1yaj n GLU 314 N -0.10 1.59 0.00 5.56 -0.58 -0.47 -4.98 120.64 121.66 1yaj n GLU 314 Ca 0.00 -0.95 0.00 0.00 -0.42 0.00 0.00 57.16 55.79 1yaj n GLU 314 Cb 0.08 -1.25 0.00 0.00 -0.57 0.00 0.00 31.44 29.70 1yaj n GLU 314 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1yaj n SER 315 N 0.14 0.00 -3.64 1.62 7.64 -1.05 -5.07 113.62 113.26 1yaj n SER 315 Ca 0.07 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.91 1yaj n SER 315 Cb 0.33 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.46 1yaj n SER 315 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 1yaj s GLN 316 N 1.69 0.39 0.00 1.43 2.00 -1.26 -5.11 119.66 118.79 1yaj s GLN 316 Ca 0.00 0.62 0.00 0.00 -2.00 0.00 0.00 55.36 53.98 1yaj s GLN 316 Cb 0.00 0.10 0.00 0.00 0.80 0.00 0.00 33.01 33.91 1yaj s GLN 316 CO 0.00 -0.07 0.32 -0.35 -0.50 0.00 0.00 175.29 174.68 1yaj n PRO 317 N 3.36 0.00 -3.15 1.67 -0.04 -1.26 -4.88 135.00 130.71 1yaj n PRO 317 Ca -0.17 0.19 0.05 0.00 -0.04 0.00 0.00 63.50 63.53 1yaj n PRO 317 Cb 0.57 -0.92 -0.01 0.00 -0.04 0.00 0.00 33.50 33.11 1yaj n PRO 317 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 1yaj s LEU 318 N -2.13 -0.43 -0.77 1.53 0.05 -1.26 -4.64 118.68 111.03 1yaj s LEU 318 Ca 0.00 0.15 -0.25 0.00 0.05 0.00 0.00 54.13 54.08 1yaj s LEU 318 Cb 0.00 1.31 -0.17 0.00 -2.05 0.00 0.00 46.19 45.28 1yaj s LEU 318 CO 0.00 -0.08 2.11 0.00 -0.55 0.00 0.00 176.35 177.83 1yaj n LEU 319 N 5.30 0.25 0.00 1.48 -0.00 -1.26 -4.75 117.00 118.02 1yaj n LEU 319 Ca 0.01 0.17 0.00 0.00 -0.00 0.00 0.00 56.01 56.19 1yaj n LEU 319 Cb 0.56 -0.73 0.00 0.00 -0.00 0.00 0.00 43.42 43.25 1yaj n LEU 319 CO -0.14 -0.57 0.00 0.61 -0.00 0.00 0.00 177.39 177.29 1yaj n GLY 320 N 5.18 5.62 3.40 1.47 0.00 -1.26 -4.74 105.19 114.87 1yaj n GLY 320 Ca 0.52 -1.78 -0.37 0.00 0.00 0.00 0.00 46.02 44.38 1yaj n GLY 320 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1yaj n THR 321 N 0.00 1.55 -4.08 2.61 -1.04 0.01 -4.65 114.28 108.68 1yaj n THR 321 Ca 0.00 -0.46 -0.14 0.00 -2.04 0.00 0.00 64.05 61.41 1yaj n THR 321 Cb 0.00 -0.54 -0.04 0.00 -1.82 0.00 0.00 70.33 67.93 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 -1.86 0.00 -0.53 12.58 -7.23 -1.26 -1.80 120.40 120.30 1yaj s VAL 322 Ca 0.64 -1.58 -0.13 0.00 -1.81 0.00 0.00 61.98 59.09 1yaj s VAL 322 Cb -0.40 -2.60 0.13 0.00 0.56 0.00 0.00 36.38 34.07 1yaj s VAL 322 CO 0.59 0.00 0.46 -0.63 -0.31 0.00 0.00 175.10 175.22 1yaj s ILE 323 N -3.17 4.88 -1.50 -0.62 -1.09 -1.26 -4.65 121.20 113.79 1yaj s ILE 323 Ca 0.30 -1.67 0.18 0.00 -2.23 0.00 0.00 60.65 57.22 1yaj s ILE 323 Cb -0.00 -4.15 -0.03 0.00 -1.58 0.00 0.00 42.46 36.70 1yaj s ILE 323 CO 0.19 -0.85 0.88 -0.90 -1.23 0.00 0.00 174.94 173.03 1yaj n ASP 324 N 5.04 1.59 -0.80 3.58 3.85 -1.22 -4.97 116.55 123.62 1yaj n ASP 324 Ca -0.10 -1.30 -0.09 0.00 -0.71 0.00 0.00 54.79 52.59 1yaj n ASP 324 Cb 0.41 0.55 -0.03 0.00 -1.35 0.00 0.00 41.12 40.69 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 1.24 0.89 1.56 6.12 0.00 -0.34 -4.81 105.19 109.85 1yaj n GLY 325 Ca 0.07 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.56 0.00 -0.02 1.61 2.81 -1.26 -4.81 117.12 112.89 1yaj n MET 326 Ca -0.10 0.00 -0.19 0.00 -1.81 0.00 0.00 57.70 55.60 1yaj n MET 326 Cb 0.37 -0.22 -0.14 0.00 -0.71 0.00 0.00 33.22 32.51 1yaj n MET 326 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 1yaj n LEU 327 N -3.00 2.45 -3.86 4.03 7.94 -1.26 -4.57 117.00 118.73 1yaj n LEU 327 Ca 0.00 0.18 -0.25 0.00 -1.11 0.00 0.00 56.01 54.83 1yaj n LEU 327 Cb 0.15 -0.93 -0.17 0.00 0.53 0.00 0.00 43.42 42.99 1yaj n LEU 327 CO 0.00 0.81 -0.42 -0.76 -1.11 0.00 0.00 177.39 175.91 1yaj s LEU 328 N -6.85 0.96 0.38 -1.96 1.43 -1.26 -4.16 118.68 107.22 1yaj s LEU 328 Ca -0.22 -0.22 0.20 0.00 -1.03 0.00 0.00 54.13 52.86 1yaj s LEU 328 Cb 0.07 -0.69 0.61 0.00 0.03 0.00 0.00 46.19 46.21 1yaj s LEU 328 CO 0.75 -0.15 1.69 -0.07 0.23 0.00 0.00 176.35 178.81 1yaj h LEU 329 N 8.23 0.00 -7.67 1.79 3.38 -1.87 -0.88 115.31 118.29 1yaj h LEU 329 Ca -0.26 0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.78 1yaj h LEU 329 Cb 1.13 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.80 1yaj h LEU 329 CO 0.35 0.33 0.28 -1.59 0.09 0.00 0.00 178.44 177.90 1yaj s LYS 330 N -3.44 1.53 0.60 1.13 -2.85 -1.26 -4.62 119.74 110.82 1yaj s LYS 330 Ca 0.02 -0.78 -0.18 0.00 -1.00 0.00 0.00 55.97 54.03 1yaj s LYS 330 Cb 0.09 0.56 -0.10 0.00 -2.06 0.00 0.00 37.83 36.32 1yaj s LYS 330 CO 0.68 -0.69 0.26 0.25 0.10 0.00 0.00 175.35 175.95 1yaj n THR 331 N -0.43 1.37 -0.16 3.79 -2.24 -1.26 -4.61 114.28 110.74 1yaj n THR 331 Ca -0.07 -0.48 -0.02 0.00 -2.27 0.00 0.00 64.05 61.20 1yaj n THR 331 Cb 0.61 -0.45 0.07 0.00 -2.10 0.00 0.00 70.33 68.46 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 -0.01 0.24 -0.26 -0.78 0.11 -1.99 -2.02 132.00 127.29 1yaj h PRO 332 Ca -0.44 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.68 1yaj h PRO 332 Cb 1.40 -0.05 -0.05 0.00 0.11 0.00 0.00 31.00 32.41 1yaj h PRO 332 CO 0.43 0.16 -0.30 0.93 -0.21 0.00 0.00 178.00 179.01 1yaj h GLU 333 N 0.24 -0.18 -0.01 1.05 3.07 -1.93 -1.56 114.58 115.26 1yaj h GLU 333 Ca 0.25 0.01 0.01 0.00 -0.50 0.00 0.00 59.36 59.13 1yaj h GLU 333 Cb 0.33 0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 28.24 1yaj h GLU 333 CO -0.32 -0.12 -0.34 0.93 -1.40 0.00 0.00 179.01 177.76 1yaj h GLU 334 N -0.19 -0.40 -1.43 2.33 5.08 -1.82 -2.40 114.58 115.75 1yaj h GLU 334 Ca 0.04 0.03 0.46 0.00 -1.00 0.00 0.00 59.36 58.89 1yaj h GLU 334 Cb 0.31 0.09 -0.12 0.00 0.50 0.00 0.00 28.75 29.53 1yaj h GLU 334 CO -0.34 -0.26 0.95 -0.07 -1.00 0.00 0.00 179.01 178.29 1yaj h LEU 335 N -0.41 0.19 -1.57 1.33 3.38 -1.02 0.41 115.31 117.61 1yaj h LEU 335 Ca 0.01 0.11 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 1yaj h LEU 335 Cb 0.45 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1yaj h LEU 335 CO -0.23 -0.16 -0.19 1.56 0.09 0.00 0.00 178.44 179.51 1yaj h GLN 336 N 0.06 0.04 -0.18 1.13 4.20 -0.75 -1.14 115.11 118.46 1yaj h GLN 336 Ca 0.84 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.54 1yaj h GLN 336 Cb 2.81 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 30.58 1yaj h GLN 336 CO -0.34 0.23 0.00 0.00 -0.67 0.00 0.00 178.83 178.04 1yaj n ALA 337 N -2.50 2.38 -3.18 3.87 0.00 0.14 -4.63 120.51 116.59 1yaj n ALA 337 Ca -0.02 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 52.96 1yaj n ALA 337 Cb 0.26 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 18.67 1yaj n ALA 337 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1yaj s GLU 338 N -1.79 3.29 0.01 0.00 2.12 -0.43 -4.96 118.70 116.93 1yaj s GLU 338 Ca 0.00 -1.80 -0.11 0.00 0.36 0.00 0.00 54.97 53.42 1yaj s GLU 338 Cb 0.00 -4.42 -0.06 0.00 0.26 0.00 0.00 34.13 29.91 1yaj s GLU 338 CO 0.00 -1.47 0.90 0.00 -0.54 0.00 0.00 175.26 174.16 1yaj h ARG 339 N 8.66 -0.37 -5.39 4.30 -0.00 -1.87 -3.41 114.38 116.31 1yaj h ARG 339 Ca -0.11 0.03 -0.49 0.00 -0.50 0.00 0.00 59.98 58.91 1yaj h ARG 339 Cb 1.07 0.09 -0.03 0.00 0.00 0.00 0.00 29.97 31.09 1yaj h ARG 339 CO 0.99 -0.25 1.67 0.09 0.00 0.00 0.00 179.97 182.47 1yaj n ASN 340 N -3.32 1.48 -3.61 7.04 4.13 -1.26 -4.79 115.26 114.93 1yaj n ASN 340 Ca -0.05 -0.17 -0.02 0.00 1.68 0.00 0.00 54.58 56.02 1yaj n ASN 340 Cb 0.15 -1.30 -0.01 0.00 -1.54 0.00 0.00 39.78 37.08 1yaj n ASN 340 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1yaj s PHE 341 N 10.63 -0.08 -0.73 3.10 5.36 -1.26 -5.09 117.98 129.91 1yaj s PHE 341 Ca 1.14 0.02 -0.27 0.00 -0.96 0.00 0.00 56.93 56.86 1yaj s PHE 341 Cb -0.66 0.52 0.03 0.00 -0.34 0.00 0.00 43.02 42.58 1yaj s PHE 341 CO 0.37 -0.19 1.26 -1.58 -1.46 0.00 0.00 175.22 173.61 1yaj s HIS 342 N -2.35 2.32 0.07 10.12 5.65 -1.26 -4.99 115.29 124.85 1yaj s HIS 342 Ca 0.12 -0.05 -0.17 0.00 0.25 0.00 0.00 55.06 55.21 1yaj s HIS 342 Cb 0.01 -4.60 -0.06 0.00 -1.18 0.00 0.00 32.58 26.75 1yaj s HIS 342 CO -0.04 -2.02 0.52 0.95 -0.65 0.00 0.00 174.74 173.49 1yaj s THR 343 N 5.59 4.85 0.04 0.89 -4.23 -1.26 -5.05 115.64 116.48 1yaj s THR 343 Ca 0.35 1.01 0.03 0.00 -1.18 0.00 0.00 61.69 61.90 1yaj s THR 343 Cb -0.08 -3.81 -0.02 0.00 1.34 0.00 0.00 72.50 69.93 1yaj s THR 343 CO 0.15 0.49 -0.10 0.68 -0.54 0.00 0.00 174.62 175.31 1yaj s VAL 344 N -1.19 0.72 0.42 2.29 -7.23 -1.26 -5.02 120.40 109.14 1yaj s VAL 344 Ca 0.30 -0.98 -0.23 0.00 -1.81 0.00 0.00 61.98 59.26 1yaj s VAL 344 Cb -0.18 -0.72 -0.12 0.00 0.56 0.00 0.00 36.38 35.92 1yaj s VAL 344 CO 0.17 -0.21 0.62 -2.65 -0.31 0.00 0.00 175.10 172.72 1yaj n PRO 345 N 1.73 0.67 -3.85 4.82 -0.02 -1.26 -4.75 135.00 132.35 1yaj n PRO 345 Ca -0.20 0.25 -0.12 0.00 -2.02 0.00 0.00 63.50 61.40 1yaj n PRO 345 Cb 0.55 -1.59 -0.14 0.00 -0.02 0.00 0.00 33.50 32.31 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 -1.44 -0.03 -0.20 6.00 6.04 -1.17 -2.00 117.35 124.55 1yaj s TYR 346 Ca 0.63 0.09 0.01 0.00 0.04 0.00 0.00 57.07 57.85 1yaj s TYR 346 Cb -0.60 -0.02 0.04 0.00 -1.04 0.00 0.00 41.96 40.35 1yaj s TYR 346 CO 0.58 -0.03 -0.13 1.41 -1.54 0.00 0.00 175.55 175.84 1yaj s MET 347 N 0.14 2.37 -0.18 4.97 -2.45 -0.44 -2.01 119.30 121.70 1yaj s MET 347 Ca -0.01 -0.94 0.00 0.00 -1.25 0.00 0.00 55.69 53.49 1yaj s MET 347 Cb -0.02 -2.55 0.01 0.00 1.25 0.00 0.00 34.83 33.53 1yaj s MET 347 CO -0.00 -0.39 -0.18 0.08 1.05 0.00 0.00 175.02 175.58 1yaj s VAL 348 N 1.30 2.28 0.27 10.11 1.01 -0.62 0.41 120.40 135.17 1yaj s VAL 348 Ca -0.01 -0.87 0.05 0.00 0.00 0.00 0.00 61.98 61.15 1yaj s VAL 348 Cb -0.16 -1.97 -0.02 0.00 0.00 0.00 0.00 36.38 34.24 1yaj s VAL 348 CO -0.09 0.52 0.17 0.61 0.00 0.00 0.00 175.10 176.31 1yaj n GLY 349 N 4.55 3.30 2.99 4.51 0.00 -0.92 -2.96 105.19 116.66 1yaj n GLY 349 Ca -0.20 -1.92 -0.11 0.00 0.00 0.00 0.00 46.02 43.79 1yaj n GLY 349 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1yaj n ILE 350 N -0.55 0.00 -4.72 -0.61 -5.35 -0.39 -2.03 119.36 105.71 1yaj n ILE 350 Ca 0.02 -1.27 -0.26 0.00 -0.27 0.00 0.00 62.75 60.98 1yaj n ILE 350 Cb 0.45 0.90 -0.14 0.00 -1.74 0.00 0.00 39.64 39.11 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 -2.81 2.40 0.22 7.28 0.02 -1.26 -0.22 114.94 120.56 1yaj s ASN 351 Ca 0.21 -0.47 -0.10 0.00 -1.02 0.00 0.00 52.86 51.47 1yaj s ASN 351 Cb -0.02 -0.22 0.31 0.00 0.02 0.00 0.00 41.25 41.35 1yaj s ASN 351 CO 0.15 0.18 1.30 1.17 0.02 0.00 0.00 177.10 179.92 1yaj n LYS 352 N 2.06 -0.12 -3.43 -0.60 3.00 -0.37 -2.88 118.16 115.81 1yaj n LYS 352 Ca -0.17 1.30 -0.26 0.00 -0.00 0.00 0.00 58.31 59.18 1yaj n LYS 352 Cb 0.53 -1.94 -0.08 0.00 0.00 0.00 0.00 35.03 33.54 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 1.88 -0.34 1.64 6.02 -0.18 -4.93 117.38 116.15 1yaj n GLN 353 Ca 0.12 -4.22 0.14 0.00 -0.01 0.00 0.00 57.00 53.02 1yaj n GLN 353 Cb 0.39 -1.98 0.35 0.00 1.02 0.00 0.00 30.24 30.02 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 4.36 0.69 -0.71 -1.09 4.39 -1.66 0.11 114.58 120.68 1yaj h GLU 354 Ca 0.17 -0.04 -0.28 0.00 0.34 0.00 0.00 59.36 59.55 1yaj h GLU 354 Cb 0.74 -0.16 -0.17 0.00 -0.10 0.00 0.00 28.75 29.07 1yaj h GLU 354 CO 0.71 0.46 0.30 0.34 -1.16 0.00 0.00 179.01 179.65 1yaj n PHE 355 N -4.74 2.28 0.47 4.33 -0.00 -1.26 -3.92 117.46 114.62 1yaj n PHE 355 Ca 0.23 -1.43 -0.18 0.00 -0.00 0.00 0.00 57.45 56.07 1yaj n PHE 355 Cb 0.60 -0.70 -0.09 0.00 -0.00 0.00 0.00 39.48 39.30 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 1.84 -1.26 0.00 7.13 0.00 -1.12 -3.44 103.07 106.21 1yaj h GLY 356 Ca 0.34 0.47 0.00 0.00 0.00 0.00 0.00 47.33 48.15 1yaj h GLY 356 CO 0.74 -0.46 0.00 1.87 0.00 0.00 0.00 176.54 178.70 1yaj n TRP 357 N -5.25 -0.86 0.00 5.60 -0.00 -1.26 -4.94 117.44 110.73 1yaj n TRP 357 Ca -0.15 0.15 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 1yaj n TRP 357 Cb 0.47 0.48 0.00 0.00 -0.00 0.00 0.00 31.31 32.27 1yaj n TRP 357 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 177.69 177.58 1yaj n LEU 358 N -2.86 0.00 -0.10 5.87 7.94 -1.26 -0.46 117.00 126.12 1yaj n LEU 358 Ca 0.00 0.37 -0.06 0.00 -1.11 0.00 0.00 56.01 55.20 1yaj n LEU 358 Cb 0.00 -0.10 -0.05 0.00 0.53 0.00 0.00 43.42 43.80 1yaj n LEU 358 CO 0.00 -0.10 0.50 0.40 -1.11 0.00 0.00 177.39 177.08 1yaj h ILE 359 N 0.00 0.00 -0.94 1.96 2.04 -1.92 -0.22 117.51 118.44 1yaj h ILE 359 Ca 0.00 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.07 1yaj h ILE 359 Cb 0.00 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.01 1yaj h ILE 359 CO 0.00 0.00 0.61 -0.65 0.00 0.00 0.00 178.15 178.11 1yaj h PRO 360 N -0.14 0.43 -0.17 2.37 0.11 -1.73 -0.13 132.00 132.73 1yaj h PRO 360 Ca 0.05 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.11 1yaj h PRO 360 Cb 0.27 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.27 1yaj h PRO 360 CO -0.34 0.29 0.03 1.98 -0.21 0.00 0.00 178.00 179.75 1yaj h MET 361 N 0.45 0.24 0.09 1.05 1.85 0.10 -0.82 114.93 117.90 1yaj h MET 361 Ca 0.50 -0.03 -0.33 0.00 -0.61 0.00 0.00 59.70 59.23 1yaj h MET 361 Cb 1.19 -0.05 -0.02 0.00 0.43 0.00 0.00 31.60 33.15 1yaj h MET 361 CO -0.21 0.24 -1.82 -0.07 -0.40 0.00 0.00 176.91 174.65 1yaj h LEU 363 N 0.24 0.30 0.00 3.39 3.38 -0.46 -3.31 115.31 118.86 1yaj h LEU 363 Ca 0.06 -0.60 0.00 0.00 0.09 0.00 0.00 57.88 57.43 1yaj h LEU 363 Cb 0.12 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1yaj h LEU 363 CO -0.00 1.53 0.00 0.23 0.09 0.00 0.00 178.44 180.29 1yaj n MET 364 N -3.36 0.52 -3.16 1.13 2.81 -0.65 -4.82 117.12 109.59 1yaj n MET 364 Ca -0.24 0.03 -0.14 0.00 -1.81 0.00 0.00 57.70 55.53 1yaj n MET 364 Cb 1.05 -1.50 0.07 0.00 -0.71 0.00 0.00 33.22 32.13 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 -1.20 -4.64 -4.72 7.83 7.64 -0.57 -3.28 113.62 114.67 1yaj n SER 365 Ca 0.15 -0.61 -0.42 0.00 1.01 0.00 0.00 58.87 59.00 1yaj n SER 365 Cb 0.18 -4.73 -0.03 0.00 -1.01 0.00 0.00 64.21 58.61 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 -3.34 3.52 -0.28 1.43 5.04 -0.42 -4.86 117.35 118.44 1yaj s TYR 366 Ca 0.26 1.47 0.00 0.00 -2.44 0.00 0.00 57.07 56.35 1yaj s TYR 366 Cb -0.03 -3.33 0.00 0.00 0.35 0.00 0.00 41.96 38.94 1yaj s TYR 366 CO 0.66 -0.88 0.29 -0.35 -1.34 0.00 0.00 175.55 173.93 1yaj n PRO 367 N 3.24 0.34 -1.18 4.97 -0.04 -1.26 -4.32 135.00 136.74 1yaj n PRO 367 Ca 0.06 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.27 1yaj n PRO 367 Cb 0.47 -1.29 0.03 0.00 -0.04 0.00 0.00 33.50 32.67 1yaj n PRO 367 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1yaj n LEU 368 N 0.69 6.89 -1.86 1.53 4.77 -1.26 -4.41 117.00 123.35 1yaj n LEU 368 Ca 0.00 -3.80 0.05 0.00 -0.03 0.00 0.00 56.01 52.23 1yaj n LEU 368 Cb 0.14 -1.07 0.38 0.00 -2.33 0.00 0.00 43.42 40.54 1yaj n LEU 368 CO 0.00 1.41 0.87 -1.20 -1.33 0.00 0.00 177.39 177.15 1yaj n SER 369 N 0.03 5.44 0.00 -1.43 7.64 -1.26 -4.06 113.62 119.99 1yaj n SER 369 Ca 0.44 -2.93 0.11 0.00 1.01 0.00 0.00 58.87 57.50 1yaj n SER 369 Cb 0.57 -0.69 0.04 0.00 -1.01 0.00 0.00 64.21 63.12 1yaj n SER 369 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1yaj n GLU 370 N 0.50 0.06 0.00 1.43 -0.58 -1.26 -4.98 120.64 115.81 1yaj n GLU 370 Ca 0.28 -0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.02 1yaj n GLU 370 Cb 1.19 -1.52 0.00 0.00 -0.57 0.00 0.00 31.44 30.54 1yaj n GLU 370 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1yaj n GLY 371 N 1.47 1.95 3.16 0.62 0.00 -1.26 -4.91 105.19 106.23 1yaj n GLY 371 Ca 0.04 -0.39 -0.23 0.00 0.00 0.00 0.00 46.02 45.44 1yaj n GLY 371 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yaj n GLN 372 N 0.00 0.56 -3.21 1.61 0.00 -1.26 -4.71 117.38 110.37 1yaj n GLN 372 Ca 0.00 -3.26 0.02 0.00 0.00 0.00 0.00 57.00 53.77 1yaj n GLN 372 Cb 0.00 1.90 -0.02 0.00 0.00 0.00 0.00 30.24 32.13 1yaj n GLN 372 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 1yaj s LEU 373 N 0.00 -1.31 1.17 2.61 2.96 0.07 -4.80 118.68 119.38 1yaj s LEU 373 Ca 0.22 0.89 -0.14 0.00 -0.22 0.00 0.00 54.13 54.88 1yaj s LEU 373 Cb 0.01 2.09 0.25 0.00 0.50 0.00 0.00 46.19 49.04 1yaj s LEU 373 CO 0.16 -0.26 0.73 -0.90 -1.32 0.00 0.00 176.35 174.76 1yaj n ASP 374 N 5.43 -1.99 -0.09 3.68 5.75 -1.26 -4.50 116.55 123.57 1yaj n ASP 374 Ca -0.02 -0.17 -0.12 0.00 -0.01 0.00 0.00 54.79 54.46 1yaj n ASP 374 Cb 0.51 -1.17 -0.00 0.00 -1.03 0.00 0.00 41.12 39.43 1yaj n ASP 374 CO 0.00 0.00 0.00 -0.61 -0.11 0.00 0.00 177.20 176.48 1yaj h GLN 375 N -2.56 0.85 -0.15 0.11 5.75 -1.97 -2.76 115.11 114.37 1yaj h GLN 375 Ca -0.60 -0.47 -0.16 0.00 -0.15 0.00 0.00 58.65 57.27 1yaj h GLN 375 Cb 1.34 0.03 0.01 0.00 1.07 0.00 0.00 27.48 29.93 1yaj h GLN 375 CO 0.46 1.11 -0.53 0.87 -2.65 0.00 0.00 178.83 178.09 1yaj h LYS 376 N 0.68 0.62 0.00 1.69 1.57 -2.01 -3.18 116.57 115.93 1yaj h LYS 376 Ca 0.05 -0.47 -0.08 0.00 -1.87 0.00 0.00 60.65 58.27 1yaj h LYS 376 Cb 1.02 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.40 1yaj h LYS 376 CO 0.10 1.09 -0.40 1.15 -0.57 0.00 0.00 179.45 180.82 1yaj h THR 377 N 0.28 1.03 0.00 -0.16 2.02 -1.94 -2.61 112.91 111.53 1yaj h THR 377 Ca -0.02 -1.51 -0.00 0.00 0.77 0.00 0.00 66.41 65.64 1yaj h THR 377 Cb 1.16 1.88 -0.00 0.00 -1.74 0.00 0.00 68.15 69.45 1yaj h THR 377 CO 0.11 0.39 -0.00 0.00 0.37 0.00 0.00 175.52 176.39 1yaj h ALA 378 N 1.60 1.00 0.00 6.16 0.00 -1.48 -1.66 119.26 124.88 1yaj h ALA 378 Ca -0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1yaj h ALA 378 Cb 0.85 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 1yaj h ALA 378 CO 0.05 0.01 -0.22 0.52 0.00 0.00 0.00 179.25 179.61 1yaj h MET 379 N 0.00 0.00 -0.42 0.00 2.86 -1.45 -2.91 114.93 113.01 1yaj h MET 379 Ca -0.00 0.00 0.12 0.00 -2.06 0.00 0.00 59.70 57.76 1yaj h MET 379 Cb 0.37 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.02 1yaj h MET 379 CO 0.00 0.28 0.30 1.03 1.06 0.00 0.00 176.91 179.58 1yaj h SER 380 N -1.00 0.02 0.07 1.22 0.87 -1.50 -1.42 113.55 111.81 1yaj h SER 380 Ca -0.03 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.53 1yaj h SER 380 Cb 0.42 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.38 1yaj h SER 380 CO -0.02 0.01 -0.03 0.25 -0.53 0.00 0.00 176.83 176.51 1yaj h LEU 381 N 0.02 -0.08 -1.78 2.23 6.46 -1.41 -3.01 115.31 117.74 1yaj h LEU 381 Ca 0.20 -0.48 0.24 0.00 -0.12 0.00 0.00 57.88 57.72 1yaj h LEU 381 Cb 0.77 0.02 -0.05 0.00 -0.73 0.00 0.00 40.66 40.67 1yaj h LEU 381 CO -0.01 0.47 0.62 0.25 -0.62 0.00 0.00 178.44 179.15 1yaj h LEU 382 N -0.67 0.18 -0.41 2.25 5.85 -1.07 0.27 115.31 121.71 1yaj h LEU 382 Ca -0.01 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 1yaj h LEU 382 Cb 0.55 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 1yaj h LEU 382 CO 0.02 0.06 0.16 -0.25 -0.34 0.00 0.00 178.44 178.09 1yaj h TRP 383 N 0.17 0.62 0.00 1.25 -0.00 -1.27 -0.37 115.95 116.36 1yaj h TRP 383 Ca 0.45 -0.05 0.00 0.00 -0.00 0.00 0.00 58.89 59.29 1yaj h TRP 383 Cb 1.47 -0.19 0.00 0.00 -0.00 0.00 0.00 29.16 30.44 1yaj h TRP 383 CO -0.00 0.55 0.00 1.63 -0.00 0.00 0.00 178.44 180.62 1yaj n LYS 384 N -4.64 0.65 -0.29 2.65 5.02 0.90 -1.99 118.16 120.47 1yaj n LYS 384 Ca 0.00 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.41 1yaj n LYS 384 Cb 0.14 -1.33 0.28 0.00 -0.02 0.00 0.00 35.03 34.10 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 -0.83 3.75 -0.13 4.39 7.64 -0.15 -4.55 113.62 123.73 1yaj n SER 385 Ca 0.10 -2.00 -0.05 0.00 1.01 0.00 0.00 58.87 57.94 1yaj n SER 385 Cb 0.05 -0.38 0.02 0.00 -1.01 0.00 0.00 64.21 62.88 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 4.36 -0.48 0.00 1.43 3.20 -1.45 0.44 116.97 124.47 1yaj h TYR 386 Ca 0.00 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.92 1yaj h TYR 386 Cb 0.99 0.28 0.00 0.00 1.54 0.00 0.00 36.73 39.54 1yaj h TYR 386 CO 0.38 -0.28 0.00 -0.35 -1.64 0.00 0.00 178.16 176.28 1yaj n PRO 387 N -5.38 0.03 -0.00 1.82 -0.04 -1.26 -0.30 135.00 129.86 1yaj n PRO 387 Ca 0.03 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.48 1yaj n PRO 387 Cb 0.29 -1.48 -0.00 0.00 -0.04 0.00 0.00 33.50 32.27 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 -0.98 2.48 -0.05 1.53 4.77 0.12 -4.56 117.00 120.32 1yaj n LEU 388 Ca 0.01 -0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.94 1yaj n LEU 388 Cb 0.00 -0.02 -0.08 0.00 -2.33 0.00 0.00 43.42 40.99 1yaj n LEU 388 CO 0.01 0.43 -0.83 1.33 -1.33 0.00 0.00 177.39 176.99 1yaj n VAL 389 N -2.43 0.68 -2.68 4.08 0.24 0.78 -4.68 118.33 114.32 1yaj n VAL 389 Ca -0.01 -0.44 -0.08 0.00 -2.04 0.00 0.00 64.34 61.77 1yaj n VAL 389 Cb 0.51 -0.67 0.04 0.00 -1.47 0.00 0.00 33.84 32.25 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 -3.21 1.32 0.72 0.00 1.01 -1.26 -5.09 121.20 114.69 1yaj s ILE 391 Ca 0.25 -0.60 -0.14 0.00 0.00 0.00 0.00 60.65 60.15 1yaj s ILE 391 Cb -0.03 -1.18 0.03 0.00 0.01 0.00 0.00 42.46 41.29 1yaj s ILE 391 CO 0.51 0.39 1.16 0.00 0.00 0.00 0.00 174.94 177.01 1yaj s ALA 392 N 0.50 2.21 -0.51 9.38 0.00 -1.26 -4.84 121.76 127.24 1yaj s ALA 392 Ca -0.13 0.71 0.26 0.00 0.00 0.00 0.00 51.96 52.79 1yaj s ALA 392 Cb -0.15 -3.40 0.91 0.00 0.00 0.00 0.00 23.12 20.47 1yaj s ALA 392 CO 0.04 -1.71 1.76 -0.22 0.00 0.00 0.00 175.76 175.63 1yaj h LYS 393 N -0.31 0.00 -0.41 0.00 3.64 -2.00 -2.96 116.57 114.53 1yaj h LYS 393 Ca -0.47 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1yaj h LYS 393 Cb 1.27 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 1yaj h LYS 393 CO 0.51 0.00 0.00 -0.85 -2.27 0.00 0.00 179.45 176.84 1yaj n GLU 394 N -2.42 1.93 0.00 1.90 0.28 -1.26 -3.64 120.64 117.42 1yaj n GLU 394 Ca 0.03 -1.23 0.00 0.00 -0.16 0.00 0.00 57.16 55.81 1yaj n GLU 394 Cb 0.34 -1.35 0.00 0.00 1.43 0.00 0.00 31.44 31.86 1yaj n GLU 394 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1yaj n LEU 395 N 0.44 0.00 -0.33 -1.84 4.77 -1.13 -4.81 117.00 114.10 1yaj n LEU 395 Ca 0.11 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 56.10 1yaj n LEU 395 Cb 0.34 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.50 1yaj n LEU 395 CO 0.09 0.00 0.63 0.40 -1.33 0.00 0.00 177.39 177.18 1yaj h ILE 396 N 0.00 0.06 -0.89 -0.08 1.08 -1.60 0.31 117.51 116.39 1yaj h ILE 396 Ca 0.00 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.58 1yaj h ILE 396 Cb 0.45 0.06 -0.08 0.00 -3.07 0.00 0.00 36.82 34.18 1yaj h ILE 396 CO 0.00 0.00 0.52 -0.65 -0.69 0.00 0.00 178.15 177.33 1yaj h PRO 397 N -0.02 0.82 0.49 2.37 0.11 -1.87 0.21 132.00 134.10 1yaj h PRO 397 Ca 0.37 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.41 1yaj h PRO 397 Cb 0.62 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.55 1yaj h PRO 397 CO -0.93 0.54 -0.27 1.49 -0.21 0.00 0.00 178.00 178.62 1yaj h GLU 398 N 0.84 -0.68 -0.11 1.05 4.81 -0.72 -2.39 114.58 117.37 1yaj h GLU 398 Ca 0.44 0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.68 1yaj h GLU 398 Cb 0.43 0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.97 1yaj h GLU 398 CO -0.27 -0.45 -0.05 0.00 -0.73 0.00 0.00 179.01 177.51 1yaj h ALA 399 N -0.22 0.15 -0.79 2.92 0.00 -1.15 -3.12 119.26 117.05 1yaj h ALA 399 Ca -0.06 -0.25 0.22 0.00 0.00 0.00 0.00 54.91 54.82 1yaj h ALA 399 Cb 0.56 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 1yaj h ALA 399 CO 0.09 -0.08 0.56 1.15 0.00 0.00 0.00 179.25 180.97 1yaj h THR 400 N -0.13 0.62 0.00 0.00 2.02 -0.62 0.12 112.91 114.93 1yaj h THR 400 Ca 0.02 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.19 1yaj h THR 400 Cb 0.50 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 67.48 1yaj h THR 400 CO 0.02 0.01 -0.35 -0.08 0.37 0.00 0.00 175.52 175.49 1yaj h GLU 401 N 0.05 0.00 0.18 6.66 4.57 -1.38 -2.09 114.58 122.58 1yaj h GLU 401 Ca 0.38 0.00 -0.32 0.00 -1.18 0.00 0.00 59.36 58.24 1yaj h GLU 401 Cb 1.44 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 30.04 1yaj h GLU 401 CO -0.02 0.00 -1.52 -0.22 -1.18 0.00 0.00 179.01 176.07 1yaj h LYS 402 N 0.00 0.39 0.00 1.92 1.63 -0.72 -0.78 116.57 119.01 1yaj h LYS 402 Ca 0.00 -0.67 0.00 0.00 -0.85 0.00 0.00 60.65 59.13 1yaj h LYS 402 Cb 0.96 0.25 0.00 0.00 -0.60 0.00 0.00 32.23 32.83 1yaj h LYS 402 CO 0.00 1.30 -1.19 0.66 -3.45 0.00 0.00 179.45 176.77 1yaj n TYR 403 N -3.59 0.64 -0.20 1.91 4.02 -0.84 -4.40 117.16 114.70 1yaj n TYR 403 Ca -0.17 0.19 0.00 0.00 -0.01 0.00 0.00 57.90 57.91 1yaj n TYR 403 Cb 1.07 -0.77 0.00 0.00 -0.02 0.00 0.00 39.34 39.62 1yaj n TYR 403 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1yaj n LEU 404 N -2.45 0.79 0.06 7.72 4.77 -0.78 -4.71 117.00 122.39 1yaj n LEU 404 Ca -0.00 -0.79 0.09 0.00 -0.03 0.00 0.00 56.01 55.27 1yaj n LEU 404 Cb 0.53 0.00 0.38 0.00 -2.33 0.00 0.00 43.42 42.00 1yaj n LEU 404 CO 0.41 0.20 0.77 0.61 -1.33 0.00 0.00 177.39 178.05 1yaj n GLY 405 N 0.01 -1.08 0.00 -0.72 0.00 -0.30 -4.62 105.19 98.49 1yaj n GLY 405 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.16 -1.36 3.28 -0.02 0.00 -1.26 -4.92 105.19 100.75 1yaj n GLY 406 Ca 0.02 -0.28 -0.34 0.00 0.00 0.00 0.00 46.02 45.43 1yaj n GLY 406 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1yaj n THR 407 N 0.00 0.00 -1.31 2.61 -2.24 -1.26 -4.88 114.28 107.19 1yaj n THR 407 Ca 0.00 -0.29 -0.15 0.00 -2.27 0.00 0.00 64.05 61.34 1yaj n THR 407 Cb 0.00 -0.42 0.19 0.00 -2.10 0.00 0.00 70.33 68.00 1yaj n THR 407 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1yaj n ASP 408 N 0.21 3.28 -4.65 3.42 8.00 -1.26 -4.95 116.55 120.60 1yaj n ASP 408 Ca 0.04 -3.66 -0.40 0.00 0.71 0.00 0.00 54.79 51.47 1yaj n ASP 408 Cb 0.54 -0.76 -0.06 0.00 -0.02 0.00 0.00 41.12 40.83 1yaj n ASP 408 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1yaj s ASP 409 N -1.79 6.61 0.52 -2.24 -1.08 -1.26 -4.95 116.67 112.49 1yaj s ASP 409 Ca 0.52 0.74 0.29 0.00 -0.52 0.00 0.00 52.55 53.59 1yaj s ASP 409 Cb 0.45 -2.33 1.40 0.00 -1.46 0.00 0.00 42.92 40.98 1yaj s ASP 409 CO 0.07 -0.28 2.03 0.71 0.52 0.00 0.00 175.17 178.21 1yaj h THR 410 N 5.25 0.42 0.01 1.71 1.35 -1.92 -2.89 112.91 116.84 1yaj h THR 410 Ca -0.30 -0.63 -0.00 0.00 -0.55 0.00 0.00 66.41 64.93 1yaj h THR 410 Cb 1.14 1.44 0.00 0.00 -1.73 0.00 0.00 68.15 69.00 1yaj h THR 410 CO 0.76 0.11 -0.01 0.58 -0.25 0.00 0.00 175.52 176.72 1yaj h VAL 411 N 0.00 1.48 0.00 6.82 2.07 -1.89 0.27 116.25 125.00 1yaj h VAL 411 Ca -0.00 -1.96 0.00 0.00 0.82 0.00 0.00 66.70 65.55 1yaj h VAL 411 Cb 0.43 2.73 0.00 0.00 -1.52 0.00 0.00 31.29 32.93 1yaj h VAL 411 CO 0.02 0.48 0.09 0.11 0.02 0.00 0.00 177.57 178.28 1yaj h LYS 412 N -0.93 0.00 0.10 1.57 1.57 -1.90 0.19 116.57 117.17 1yaj h LYS 412 Ca -0.00 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.65 1yaj h LYS 412 Cb 0.79 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.12 1yaj h LYS 412 CO 0.00 0.00 -0.57 0.87 -0.57 0.00 0.00 179.45 179.18 1yaj h LYS 413 N 0.00 0.22 0.00 3.15 1.57 -1.51 0.13 116.57 120.13 1yaj h LYS 413 Ca 0.00 -0.36 0.00 0.00 -1.87 0.00 0.00 60.65 58.42 1yaj h LYS 413 Cb 0.18 0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1yaj h LYS 413 CO 0.00 1.17 0.20 1.17 -0.57 0.00 0.00 179.45 181.41 1yaj n LYS 414 N -4.27 0.08 -0.07 3.15 0.00 0.05 0.75 118.16 117.84 1yaj n LYS 414 Ca -0.13 0.53 -0.12 0.00 0.00 0.00 0.00 58.31 58.60 1yaj n LYS 414 Cb 0.72 -1.95 -0.06 0.00 0.00 0.00 0.00 35.03 33.73 1yaj n LYS 414 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1yaj n ASP 415 N -1.92 2.27 0.06 3.14 8.00 -1.15 -4.34 116.55 122.60 1yaj n ASP 415 Ca -0.01 0.01 0.03 0.00 0.71 0.00 0.00 54.79 55.54 1yaj n ASP 415 Cb 0.22 -0.29 0.41 0.00 -0.02 0.00 0.00 41.12 41.44 1yaj n ASP 415 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1yaj h LEU 416 N -0.18 0.37 -1.43 0.64 3.38 0.75 0.91 115.31 119.73 1yaj h LEU 416 Ca -0.33 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.54 1yaj h LEU 416 Cb 1.42 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 42.07 1yaj h LEU 416 CO -0.11 0.37 -0.29 0.15 0.09 0.00 0.00 178.44 178.65 1yaj h PHE 417 N 0.40 0.00 0.02 1.13 3.57 0.09 -2.52 116.94 119.64 1yaj h PHE 417 Ca 0.10 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.60 1yaj h PHE 417 Cb 0.14 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.88 1yaj h PHE 417 CO 0.00 0.29 -0.01 -0.07 -2.23 0.00 0.00 178.31 176.29 1yaj h LEU 418 N 0.00 -0.02 -1.22 0.59 3.38 -1.06 -2.87 115.31 114.11 1yaj h LEU 418 Ca -0.00 -0.65 0.00 0.00 0.09 0.00 0.00 57.88 57.31 1yaj h LEU 418 Cb 0.53 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1yaj h LEU 418 CO 0.04 0.66 0.09 0.47 0.09 0.00 0.00 178.44 179.78 1yaj n ASP 419 N -4.77 0.48 -0.01 -0.43 8.00 -0.59 -1.29 116.55 117.94 1yaj n ASP 419 Ca -0.09 0.69 -0.11 0.00 0.71 0.00 0.00 54.79 55.99 1yaj n ASP 419 Cb 0.33 -0.73 -0.09 0.00 -0.02 0.00 0.00 41.12 40.61 1yaj n ASP 419 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1yaj h LEU 420 N 0.00 -0.07 -0.09 0.64 7.12 -1.24 -3.00 115.31 118.67 1yaj h LEU 420 Ca 0.00 -0.56 -0.00 0.00 0.13 0.00 0.00 57.88 57.45 1yaj h LEU 420 Cb 0.17 0.02 -0.00 0.00 -0.53 0.00 0.00 40.66 40.32 1yaj h LEU 420 CO 0.00 0.60 0.04 0.40 -0.13 0.00 0.00 178.44 179.35 1yaj h ILE 421 N -0.83 1.13 -0.79 4.05 2.04 -1.03 -3.01 117.51 119.07 1yaj h ILE 421 Ca -0.01 -0.40 0.19 0.00 1.00 0.00 0.00 64.86 65.64 1yaj h ILE 421 Cb 0.63 1.23 -0.13 0.00 -0.74 0.00 0.00 36.82 37.81 1yaj h ILE 421 CO 0.01 0.12 0.16 0.00 0.00 0.00 0.00 178.15 178.44 1yaj h ALA 422 N 0.89 1.02 -0.08 1.87 0.00 -1.40 0.14 119.26 121.71 1yaj h ALA 422 Ca 0.03 0.20 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 1yaj h ALA 422 Cb 0.15 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1yaj h ALA 422 CO -0.00 -0.40 -0.19 -0.44 0.00 0.00 0.00 179.25 178.22 1yaj h ASP 423 N 0.21 0.12 1.20 0.00 5.19 -1.40 -1.91 116.42 119.83 1yaj h ASP 423 Ca 0.46 -0.03 -0.16 0.00 -0.62 0.00 0.00 57.03 56.68 1yaj h ASP 423 Cb 0.85 -0.03 -0.02 0.00 0.18 0.00 0.00 39.33 40.30 1yaj h ASP 423 CO -0.59 0.33 -0.81 0.58 -3.12 0.00 0.00 179.24 175.62 1yaj h VAL 424 N 0.12 1.28 0.11 -1.35 2.07 -0.64 0.29 116.25 118.13 1yaj h VAL 424 Ca 0.02 -2.83 -0.36 0.00 0.82 0.00 0.00 66.70 64.36 1yaj h VAL 424 Cb 0.42 2.62 -0.02 0.00 -1.52 0.00 0.00 31.29 32.79 1yaj h VAL 424 CO 0.03 0.73 -1.95 0.23 0.02 0.00 0.00 177.57 176.63 1yaj n MET 425 N -3.27 0.74 0.03 1.57 2.81 -0.68 -4.66 117.12 113.65 1yaj n MET 425 Ca 0.00 0.29 -0.01 0.00 -1.81 0.00 0.00 57.70 56.17 1yaj n MET 425 Cb 0.85 -1.71 -0.00 0.00 -0.71 0.00 0.00 33.22 31.65 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 -3.56 0.00 0.00 2.03 3.01 -0.75 -4.64 117.46 113.55 1yaj n PHE 426 Ca -0.32 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.14 1yaj n PHE 426 Cb 1.02 -0.04 0.00 0.00 -0.01 0.00 0.00 39.48 40.44 1yaj n PHE 426 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1yaj n GLY 427 N 3.27 -1.24 0.17 1.37 0.00 -1.02 0.01 105.19 107.75 1yaj n GLY 427 Ca -0.01 0.27 -0.09 0.00 0.00 0.00 0.00 46.02 46.19 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 0.65 -0.93 1.61 2.07 -0.72 -2.62 116.25 116.31 1yaj h VAL 428 Ca 0.00 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.66 1yaj h VAL 428 Cb 0.00 0.65 -0.09 0.00 -1.52 0.00 0.00 31.29 30.33 1yaj h VAL 428 CO 0.00 0.00 0.54 -0.65 0.02 0.00 0.00 177.57 177.48 1yaj h PRO 429 N -0.12 0.76 0.63 1.57 0.11 -1.69 -1.01 132.00 132.25 1yaj h PRO 429 Ca 0.10 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.14 1yaj h PRO 429 Cb 0.28 -0.17 0.01 0.00 0.11 0.00 0.00 31.00 31.22 1yaj h PRO 429 CO -0.25 0.51 -0.30 0.77 -0.21 0.00 0.00 178.00 178.51 1yaj h SER 430 N 0.79 -0.72 -0.78 -2.05 0.02 -0.20 -2.35 113.55 108.26 1yaj h SER 430 Ca 0.49 0.02 0.17 0.00 -0.84 0.00 0.00 61.79 61.63 1yaj h SER 430 Cb 0.62 0.19 -0.11 0.00 0.14 0.00 0.00 62.40 63.24 1yaj h SER 430 CO -0.32 -0.43 0.26 0.58 -1.14 0.00 0.00 176.83 175.78 1yaj h VAL 431 N -1.02 0.54 -0.82 2.27 2.07 -1.18 0.43 116.25 118.54 1yaj h VAL 431 Ca -0.09 -0.12 0.02 0.00 0.82 0.00 0.00 66.70 67.34 1yaj h VAL 431 Cb 0.65 0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 30.54 1yaj h VAL 431 CO 0.14 0.06 0.54 0.40 0.02 0.00 0.00 177.57 178.73 1yaj h ILE 432 N 0.35 1.17 -0.44 4.57 2.04 -1.19 0.39 117.51 124.40 1yaj h ILE 432 Ca 0.45 -0.36 -0.12 0.00 1.00 0.00 0.00 64.86 65.83 1yaj h ILE 432 Cb 0.77 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 1yaj h ILE 432 CO -0.49 0.19 -0.20 0.58 0.00 0.00 0.00 178.15 178.23 1yaj h VAL 433 N 1.06 1.27 -0.25 1.67 2.07 0.07 -1.79 116.25 120.35 1yaj h VAL 433 Ca 0.31 -1.33 -0.01 0.00 0.82 0.00 0.00 66.70 66.49 1yaj h VAL 433 Cb -0.05 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1yaj h VAL 433 CO -0.08 0.45 0.12 0.00 0.02 0.00 0.00 177.57 178.08 1yaj h ALA 434 N 1.01 0.32 -0.30 1.67 0.00 0.14 -2.51 119.26 119.60 1yaj h ALA 434 Ca 0.11 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 1yaj h ALA 434 Cb 0.73 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1yaj h ALA 434 CO 0.06 -0.12 -0.22 0.00 0.00 0.00 0.00 179.25 178.97 1yaj h ARG 435 N 0.27 0.57 0.00 0.00 3.08 -0.17 -2.71 114.38 115.42 1yaj h ARG 435 Ca 0.09 -0.21 -0.00 0.00 0.07 0.00 0.00 59.98 59.92 1yaj h ARG 435 Cb 0.12 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.13 1yaj h ARG 435 CO -0.01 0.75 -0.01 -0.91 -1.07 0.00 0.00 179.97 178.72 1yaj h ASN 436 N 0.50 0.00 0.00 7.04 -0.26 -1.12 0.13 115.58 121.87 1yaj h ASN 436 Ca 0.08 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.82 1yaj h ASN 436 Cb 0.66 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.92 1yaj h ASN 436 CO 0.05 0.01 -0.00 -0.74 -1.06 0.00 0.00 177.43 175.69 1yaj h HIS 437 N 0.00 -0.00 -0.39 1.19 2.76 -1.14 -3.18 115.15 114.39 1yaj h HIS 437 Ca -0.00 -0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.21 1yaj h HIS 437 Cb 0.47 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 29.39 1yaj h HIS 437 CO 0.00 0.94 0.16 -0.09 -1.30 0.00 0.00 177.93 177.64 1yaj h ARG 438 N -0.96 0.32 -0.35 5.26 2.43 -1.28 -0.78 114.38 119.01 1yaj h ARG 438 Ca -0.00 -0.02 0.10 0.00 -0.81 0.00 0.00 59.98 59.25 1yaj h ARG 438 Cb 0.94 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.41 1yaj h ARG 438 CO 0.00 0.21 0.32 -0.44 -1.51 0.00 0.00 179.97 178.56 1yaj h ASP 439 N 0.33 0.00 -0.01 -3.80 3.32 -1.07 0.63 116.42 115.83 1yaj h ASP 439 Ca 0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.23 1yaj h ASP 439 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1yaj h ASP 439 CO -0.16 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.36 1yaj n ALA 440 N -2.43 2.65 -0.95 3.45 0.00 -0.31 -4.87 120.51 118.06 1yaj n ALA 440 Ca 0.06 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1yaj n ALA 440 Cb 0.49 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.53 1yaj n ALA 440 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yaj n GLY 441 N 0.97 0.50 3.89 0.00 0.00 0.22 -5.03 105.19 105.74 1yaj n GLY 441 Ca 0.21 -0.24 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 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 3.67 0.34 4.61 0.00 -1.16 -5.03 121.76 122.19 1yaj s ALA 442 Ca 0.00 -0.48 -0.29 0.00 0.00 0.00 0.00 51.96 51.20 1yaj s ALA 442 Cb 0.00 -2.27 -0.11 0.00 0.00 0.00 0.00 23.12 20.74 1yaj s ALA 442 CO 0.00 0.49 1.50 -2.30 0.00 0.00 0.00 175.76 175.45 1yaj n PRO 443 N -0.30 2.61 -3.82 0.00 -0.02 -1.26 -4.21 135.00 128.00 1yaj n PRO 443 Ca -0.01 0.92 -0.12 0.00 -2.02 0.00 0.00 63.50 62.26 1yaj n PRO 443 Cb 0.53 -2.65 -0.12 0.00 -0.02 0.00 0.00 33.50 31.24 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 -0.72 0.01 -0.06 3.45 2.01 -1.26 -3.05 115.64 116.02 1yaj s THR 444 Ca 0.57 -0.12 -0.04 0.00 0.31 0.00 0.00 61.69 62.42 1yaj s THR 444 Cb -0.50 -0.28 0.02 0.00 0.01 0.00 0.00 72.50 71.76 1yaj s THR 444 CO 0.58 -0.06 0.13 -0.31 -0.69 0.00 0.00 174.62 174.27 1yaj s TYR 445 N -0.16 -0.15 0.40 4.92 2.02 -0.85 0.06 117.35 123.60 1yaj s TYR 445 Ca -0.02 0.40 0.06 0.00 -0.37 0.00 0.00 57.07 57.13 1yaj s TYR 445 Cb -0.02 -0.02 -0.07 0.00 -0.40 0.00 0.00 41.96 41.45 1yaj s TYR 445 CO 0.00 -0.11 0.02 -1.64 -1.57 0.00 0.00 175.55 172.25 1yaj s MET 446 N 0.58 1.93 0.02 -0.62 -1.94 -1.26 -1.58 119.30 116.43 1yaj s MET 446 Ca -0.04 -2.11 -0.28 0.00 -1.71 0.00 0.00 55.69 51.56 1yaj s MET 446 Cb -0.06 -1.46 0.09 0.00 2.01 0.00 0.00 34.83 35.42 1yaj s MET 446 CO -0.03 -0.12 0.81 1.52 -0.01 0.00 0.00 175.02 177.20 1yaj s TYR 447 N -2.85 -0.41 -0.12 -0.03 1.13 -1.15 -2.91 117.35 111.01 1yaj s TYR 447 Ca 0.32 0.31 -0.03 0.00 -1.41 0.00 0.00 57.07 56.26 1yaj s TYR 447 Cb 0.09 0.53 0.04 0.00 -1.10 0.00 0.00 41.96 41.52 1yaj s TYR 447 CO 0.16 -0.61 0.04 -2.00 -2.51 0.00 0.00 175.55 170.63 1yaj s GLU 448 N -3.06 0.36 -0.31 -3.49 2.12 -0.88 -1.26 118.70 112.18 1yaj s GLU 448 Ca 0.03 -0.01 -0.29 0.00 0.36 0.00 0.00 54.97 55.06 1yaj s GLU 448 Cb -0.01 -1.34 0.01 0.00 0.26 0.00 0.00 34.13 33.05 1yaj s GLU 448 CO -0.08 -0.47 1.12 0.12 -0.54 0.00 0.00 175.26 175.41 1yaj s PHE 449 N 2.02 3.06 -0.69 5.30 5.36 0.70 -2.05 117.98 131.68 1yaj s PHE 449 Ca 0.03 1.13 0.05 0.00 -0.96 0.00 0.00 56.93 57.18 1yaj s PHE 449 Cb -0.14 -3.72 0.27 0.00 -0.34 0.00 0.00 43.02 39.08 1yaj s PHE 449 CO -0.06 -0.96 0.88 1.04 -1.46 0.00 0.00 175.22 174.65 1yaj n GLN 450 N 6.94 2.90 -3.71 10.12 6.02 0.26 -1.24 117.38 138.66 1yaj n GLN 450 Ca 0.13 -4.68 -0.14 0.00 -0.01 0.00 0.00 57.00 52.29 1yaj n GLN 450 Cb 0.47 -2.29 -0.08 0.00 1.02 0.00 0.00 30.24 29.36 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 -2.66 -0.30 -0.35 1.08 5.04 -1.26 -3.96 117.35 114.93 1yaj s TYR 451 Ca 0.40 0.51 -0.01 0.00 -2.44 0.00 0.00 57.07 55.52 1yaj s TYR 451 Cb 0.15 0.17 0.08 0.00 0.35 0.00 0.00 41.96 42.71 1yaj s TYR 451 CO -0.01 -0.42 0.10 0.50 -1.34 0.00 0.00 175.55 174.37 1yaj s ARG 452 N -1.19 2.10 0.35 4.97 3.52 -1.26 -0.44 118.95 127.00 1yaj s ARG 452 Ca -0.12 -1.60 -0.29 0.00 -0.13 0.00 0.00 55.73 53.59 1yaj s ARG 452 Cb -0.04 -3.36 -0.11 0.00 -1.56 0.00 0.00 34.95 29.87 1yaj s ARG 452 CO 0.05 -0.87 1.50 -0.35 -0.81 0.00 0.00 175.30 174.82 1yaj n PRO 453 N 4.56 2.62 0.05 5.12 -0.04 -1.26 -4.91 135.00 141.13 1yaj n PRO 453 Ca -0.06 0.92 0.04 0.00 -0.04 0.00 0.00 63.50 64.37 1yaj n PRO 453 Cb 0.42 -2.65 0.45 0.00 -0.04 0.00 0.00 33.50 31.68 1yaj n PRO 453 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1yaj h SER 454 N 3.39 0.38 -1.25 3.54 4.64 -1.98 -3.35 113.55 118.92 1yaj h SER 454 Ca -0.49 -0.02 -0.67 0.00 -0.47 0.00 0.00 61.79 60.14 1yaj h SER 454 Cb 1.24 -0.10 -0.11 0.00 -0.31 0.00 0.00 62.40 63.13 1yaj h SER 454 CO 0.68 0.31 1.81 -0.36 -0.87 0.00 0.00 176.83 178.39 1yaj s PHE 455 N -5.33 2.87 0.03 4.77 0.40 -1.26 -4.94 117.98 114.52 1yaj s PHE 455 Ca -0.07 -1.53 0.02 0.00 -0.60 0.00 0.00 56.93 54.75 1yaj s PHE 455 Cb 0.17 -4.64 -0.02 0.00 0.51 0.00 0.00 43.02 39.05 1yaj s PHE 455 CO 0.72 -1.74 -0.07 -1.12 0.70 0.00 0.00 175.22 173.71 1yaj s SER 456 N 4.11 0.72 0.29 1.36 0.01 -1.26 -5.10 113.70 113.84 1yaj s SER 456 Ca 0.49 -0.41 -0.28 0.00 1.31 0.00 0.00 55.95 57.05 1yaj s SER 456 Cb 0.01 0.01 -0.14 0.00 0.21 0.00 0.00 66.02 66.12 1yaj s SER 456 CO 0.01 -0.13 1.10 -0.24 0.41 0.00 0.00 173.24 174.39 1yaj n SER 457 N 1.91 1.71 0.28 2.44 2.88 -1.26 -4.82 113.62 116.76 1yaj n SER 457 Ca -0.20 1.18 0.12 0.00 -1.33 0.00 0.00 58.87 58.64 1yaj n SER 457 Cb 0.56 -1.34 0.81 0.00 -0.75 0.00 0.00 64.21 63.49 1yaj n SER 457 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1yaj h ASP 458 N 2.32 0.00 0.00 -3.46 3.32 -1.99 -0.33 116.42 116.27 1yaj h ASP 458 Ca -0.41 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.64 1yaj h ASP 458 Cb 1.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.87 1yaj h ASP 458 CO 0.62 0.00 0.00 0.23 -1.72 0.00 0.00 179.24 178.38 1yaj n MET 459 N -4.12 0.69 -3.36 3.56 2.81 -1.26 -4.74 117.12 110.69 1yaj n MET 459 Ca -0.03 0.00 -0.38 0.00 -1.81 0.00 0.00 57.70 55.48 1yaj n MET 459 Cb 0.09 -1.34 -0.08 0.00 -0.71 0.00 0.00 33.22 31.18 1yaj n MET 459 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 1yaj s LYS 460 N -2.00 4.15 0.12 0.03 2.20 -0.14 -5.04 119.74 119.07 1yaj s LYS 460 Ca 0.22 0.22 -0.31 0.00 -0.36 0.00 0.00 55.97 55.74 1yaj s LYS 460 Cb 0.10 -3.56 -0.09 0.00 -1.51 0.00 0.00 37.83 32.77 1yaj s LYS 460 CO 0.17 -0.09 1.62 -1.25 -0.36 0.00 0.00 175.35 175.44 1yaj s PRO 461 N 1.48 4.20 0.00 4.03 0.04 -1.26 -4.84 135.00 138.65 1yaj s PRO 461 Ca 0.19 2.36 0.01 0.00 0.04 0.00 0.00 61.00 63.61 1yaj s PRO 461 Cb -0.15 -3.37 0.07 0.00 0.04 0.00 0.00 34.50 31.10 1yaj s PRO 461 CO 0.08 -0.67 0.38 0.36 0.04 0.00 0.00 177.00 177.19 1yaj n LYS 462 N 4.75 0.29 0.02 4.56 0.00 -1.26 -2.11 118.16 124.41 1yaj n LYS 462 Ca 0.15 0.00 0.11 0.00 -0.00 0.00 0.00 58.31 58.57 1yaj n LYS 462 Cb 0.39 -1.07 -0.00 0.00 -0.00 0.00 0.00 35.03 34.35 1yaj n LYS 462 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1yaj n THR 463 N -0.57 0.10 -3.38 0.58 -2.24 -1.26 -4.87 114.28 102.65 1yaj n THR 463 Ca 0.01 -0.19 -0.40 0.00 -2.27 0.00 0.00 64.05 61.20 1yaj n THR 463 Cb 0.00 0.36 -0.09 0.00 -2.10 0.00 0.00 70.33 68.51 1yaj n THR 463 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1yaj s VAL 464 N -3.16 5.15 -0.07 2.28 1.01 -0.90 -5.06 120.40 119.65 1yaj s VAL 464 Ca 0.04 0.40 0.02 0.00 0.00 0.00 0.00 61.98 62.44 1yaj s VAL 464 Cb 0.15 -3.76 -0.02 0.00 0.00 0.00 0.00 36.38 32.74 1yaj s VAL 464 CO 0.82 0.05 -0.12 -0.63 0.00 0.00 0.00 175.10 175.21 1yaj s ILE 465 N 2.09 3.19 -0.60 2.22 1.01 -1.26 -4.63 121.20 123.23 1yaj s ILE 465 Ca 0.14 -0.66 -0.01 0.00 0.00 0.00 0.00 60.65 60.13 1yaj s ILE 465 Cb -0.16 -2.29 0.00 0.00 0.01 0.00 0.00 42.46 40.03 1yaj s ILE 465 CO 0.11 0.57 0.51 0.61 0.00 0.00 0.00 174.94 176.74 1yaj n GLY 466 N 2.62 0.11 0.00 6.18 0.00 0.42 -3.48 105.19 111.04 1yaj n GLY 466 Ca -0.18 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1yaj n GLY 466 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1yaj n ASP 467 N -1.61 0.00 -4.64 1.61 2.03 -1.26 -1.01 116.55 111.67 1yaj n ASP 467 Ca -0.09 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 54.81 1yaj n ASP 467 Cb 0.57 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.91 1yaj n ASP 467 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 1yaj s HIS 468 N 0.00 3.32 -0.03 -0.67 5.04 -1.25 -4.00 115.29 117.71 1yaj s HIS 468 Ca 0.00 0.96 0.00 0.00 -1.54 0.00 0.00 55.06 54.48 1yaj s HIS 468 Cb 0.00 -2.89 0.00 0.00 0.04 0.00 0.00 32.58 29.73 1yaj s HIS 468 CO 0.00 -0.30 0.00 0.41 -2.34 0.00 0.00 174.74 172.51 1yaj n GLY 469 N 3.91 0.46 0.22 1.59 0.00 -1.26 -4.91 105.19 105.19 1yaj n GLY 469 Ca 0.01 -0.11 0.08 0.00 0.00 0.00 0.00 46.02 46.00 1yaj n GLY 469 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1yaj h ASP 470 N 0.00 0.00 0.36 1.61 3.32 -1.91 -1.25 116.42 118.55 1yaj h ASP 470 Ca -0.01 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1yaj h ASP 470 Cb 0.12 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.67 1yaj h ASP 470 CO 0.01 0.26 -0.08 1.05 -1.72 0.00 0.00 179.24 178.75 1yaj h GLU 471 N 0.00 0.00 -0.02 3.56 9.09 -1.91 -3.13 114.58 122.17 1yaj h GLU 471 Ca -0.00 0.00 0.01 0.00 0.05 0.00 0.00 59.36 59.42 1yaj h GLU 471 Cb 0.57 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.64 1yaj h GLU 471 CO 0.03 0.08 -0.28 -0.07 0.05 0.00 0.00 179.01 178.83 1yaj h LEU 472 N 0.00 -0.87 -1.70 3.06 3.38 -1.63 -0.03 115.31 117.53 1yaj h LEU 472 Ca -0.00 0.10 0.43 0.00 0.09 0.00 0.00 57.88 58.50 1yaj h LEU 472 Cb 0.29 0.33 -0.09 0.00 0.09 0.00 0.00 40.66 41.28 1yaj h LEU 472 CO 0.01 -0.26 0.98 -0.26 0.09 0.00 0.00 178.44 179.00 1yaj h PHE 473 N -0.33 0.28 0.04 1.13 -1.00 -1.72 0.41 116.94 115.75 1yaj h PHE 473 Ca 0.01 0.01 -0.00 0.00 2.81 0.00 0.00 57.97 60.80 1yaj h PHE 473 Cb 0.37 -0.07 0.00 0.00 3.61 0.00 0.00 35.95 39.85 1yaj h PHE 473 CO -0.47 -0.07 -0.02 0.77 -1.61 0.00 0.00 178.31 176.91 1yaj h SER 474 N 0.08 -0.05 0.24 2.17 0.02 -1.24 0.30 113.55 115.07 1yaj h SER 474 Ca 0.76 -0.58 -0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1yaj h SER 474 Cb 2.68 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 65.23 1yaj h SER 474 CO -0.20 0.59 -0.16 0.58 -1.14 0.00 0.00 176.83 176.50 1yaj h VAL 475 N -0.72 0.66 -0.14 2.27 2.07 0.15 -2.43 116.25 118.10 1yaj h VAL 475 Ca -0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1yaj h VAL 475 Cb 0.62 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1yaj h VAL 475 CO 0.01 0.00 0.00 0.49 0.02 0.00 0.00 177.57 178.09 1yaj n PHE 476 N -5.28 0.29 -3.55 1.57 3.01 -0.09 -4.56 117.46 108.86 1yaj n PHE 476 Ca -0.09 -0.12 -0.23 0.00 1.01 0.00 0.00 57.45 58.03 1yaj n PHE 476 Cb 0.20 -0.07 0.03 0.00 -0.01 0.00 0.00 39.48 39.62 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 0.50 -1.12 0.24 1.37 0.00 -0.91 -4.37 105.19 100.90 1yaj n GLY 477 Ca 0.05 0.50 -0.12 0.00 0.00 0.00 0.00 46.02 46.45 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 0.79 0.54 -1.50 4.61 0.00 -0.64 -2.97 119.26 120.08 1yaj h ALA 478 Ca -0.51 -0.36 0.44 0.00 0.00 0.00 0.00 54.91 54.48 1yaj h ALA 478 Cb 1.29 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.87 1yaj h ALA 478 CO 0.42 0.47 1.06 -1.35 0.00 0.00 0.00 179.25 179.85 1yaj h PRO 479 N 0.60 0.04 -0.00 0.00 0.11 -1.86 0.64 132.00 131.53 1yaj h PRO 479 Ca 0.09 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.19 1yaj h PRO 479 Cb 0.73 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.83 1yaj h PRO 479 CO 0.05 0.02 -0.38 1.19 -0.21 0.00 0.00 178.00 178.68 1yaj n PHE 480 N -4.19 0.00 -0.04 0.65 3.01 -1.12 -4.18 117.46 111.58 1yaj n PHE 480 Ca 0.35 0.00 -0.05 0.00 1.01 0.00 0.00 57.45 58.76 1yaj n PHE 480 Cb 1.55 -0.29 -0.05 0.00 -0.01 0.00 0.00 39.48 40.67 1yaj n PHE 480 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1yaj n LEU 481 N -1.44 1.14 -4.87 4.37 4.77 0.19 -4.98 117.00 116.18 1yaj n LEU 481 Ca 0.06 -0.02 -0.32 0.00 -0.03 0.00 0.00 56.01 55.71 1yaj n LEU 481 Cb 0.33 -0.01 -0.05 0.00 -2.33 0.00 0.00 43.42 41.36 1yaj n LEU 481 CO 0.33 0.37 0.32 -0.54 -1.33 0.00 0.00 177.39 176.54 1yaj s LYS 482 N -2.19 3.87 0.17 3.23 1.02 0.83 -3.71 119.74 122.97 1yaj s LYS 482 Ca -0.07 0.44 -0.21 0.00 0.02 0.00 0.00 55.97 56.14 1yaj s LYS 482 Cb 0.03 -2.53 -0.08 0.00 -0.52 0.00 0.00 37.83 34.73 1yaj s LYS 482 CO 0.28 0.21 0.69 -1.21 -0.92 0.00 0.00 175.35 174.40 1yaj s GLU 483 N -3.04 4.32 0.00 1.68 2.02 -1.26 -4.76 118.70 117.66 1yaj s GLU 483 Ca 0.50 0.90 -0.01 0.00 0.02 0.00 0.00 54.97 56.39 1yaj s GLU 483 Cb -0.11 -3.07 0.00 0.00 0.10 0.00 0.00 34.13 31.06 1yaj s GLU 483 CO 0.21 0.50 0.02 0.41 0.02 0.00 0.00 175.26 176.42 1yaj n GLY 484 N 1.19 -5.05 3.59 -1.39 0.00 -1.26 -5.09 105.19 97.18 1yaj n GLY 484 Ca -0.05 0.02 -0.08 0.00 0.00 0.00 0.00 46.02 45.91 1yaj n GLY 484 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yaj s ALA 485 N -0.45 -1.76 0.33 4.61 0.00 -1.26 -4.97 121.76 118.25 1yaj s ALA 485 Ca -0.02 2.27 -0.27 0.00 0.00 0.00 0.00 51.96 53.94 1yaj s ALA 485 Cb 0.00 -1.34 -0.13 0.00 0.00 0.00 0.00 23.12 21.65 1yaj s ALA 485 CO 0.05 -0.36 1.09 -1.13 0.00 0.00 0.00 175.76 175.41 1yaj n SER 486 N 4.12 1.71 0.34 0.00 3.41 -1.26 -4.76 113.62 117.18 1yaj n SER 486 Ca -0.20 1.16 0.22 0.00 -0.26 0.00 0.00 58.87 59.80 1yaj n SER 486 Cb 0.58 -1.36 1.19 0.00 -0.26 0.00 0.00 64.21 64.37 1yaj n SER 486 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1yaj h GLU 487 N 2.08 0.00 -0.26 4.33 4.57 -2.01 0.36 114.58 123.65 1yaj h GLU 487 Ca -0.42 0.00 -0.15 0.00 -1.18 0.00 0.00 59.36 57.61 1yaj h GLU 487 Cb 1.32 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.91 1yaj h GLU 487 CO 0.60 0.00 -0.43 1.49 -1.18 0.00 0.00 179.01 179.50 1yaj h GLU 488 N 0.00 0.75 -0.41 1.92 4.81 -1.99 -2.31 114.58 117.35 1yaj h GLU 488 Ca -0.00 -0.46 -0.09 0.00 -0.13 0.00 0.00 59.36 58.68 1yaj h GLU 488 Cb 0.02 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 1yaj h GLU 488 CO 0.00 1.08 -0.12 1.49 -0.73 0.00 0.00 179.01 180.73 1yaj h GLU 489 N 0.50 0.74 0.16 1.92 4.81 -0.65 -1.82 114.58 120.24 1yaj h GLU 489 Ca 0.02 -0.25 -0.01 0.00 -0.13 0.00 0.00 59.36 59.00 1yaj h GLU 489 Cb 1.02 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.34 1yaj h GLU 489 CO 0.10 0.84 -0.08 0.82 -0.73 0.00 0.00 179.01 179.96 1yaj h ILE 490 N 0.67 0.96 -0.82 2.32 2.04 -1.29 -1.74 117.51 119.65 1yaj h ILE 490 Ca 0.11 -0.67 0.15 0.00 1.00 0.00 0.00 64.86 65.45 1yaj h ILE 490 Cb 0.59 1.37 -0.06 0.00 -0.74 0.00 0.00 36.82 37.98 1yaj h ILE 490 CO 0.04 0.15 0.54 0.03 0.00 0.00 0.00 178.15 178.91 1yaj h ARG 491 N -0.55 0.53 -0.26 2.37 2.47 -1.31 -1.18 114.38 116.45 1yaj h ARG 491 Ca -0.02 -0.03 -0.07 0.00 -1.26 0.00 0.00 59.98 58.59 1yaj h ARG 491 Cb 0.42 -0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 28.61 1yaj h ARG 491 CO 0.04 0.35 -0.12 1.25 0.56 0.00 0.00 179.97 182.05 1yaj h LEU 492 N 0.55 0.56 -0.01 3.04 5.85 -1.10 -2.69 115.31 121.51 1yaj h LEU 492 Ca 0.41 -0.40 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1yaj h LEU 492 Cb 0.78 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.66 1yaj h LEU 492 CO -0.16 0.83 -0.01 -1.28 -0.34 0.00 0.00 178.44 177.48 1yaj h SER 493 N 0.28 -0.04 -0.92 1.25 0.87 -0.35 -2.10 113.55 112.54 1yaj h SER 493 Ca 0.06 0.01 0.11 0.00 -1.23 0.00 0.00 61.79 60.74 1yaj h SER 493 Cb 0.62 0.02 -0.08 0.00 -0.44 0.00 0.00 62.40 62.51 1yaj h SER 493 CO 0.04 -0.02 0.55 0.11 -0.53 0.00 0.00 176.83 176.98 1yaj h LYS 494 N -0.02 0.85 -0.43 2.24 1.57 -1.27 -1.01 116.57 118.51 1yaj h LYS 494 Ca 0.01 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1yaj h LYS 494 Cb 0.03 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.13 1yaj h LYS 494 CO -0.02 0.56 0.22 1.98 -0.57 0.00 0.00 179.45 181.63 1yaj h MET 495 N 0.88 0.60 0.40 3.15 4.05 -1.20 0.35 114.93 123.16 1yaj h MET 495 Ca 0.46 -0.08 -0.02 0.00 -0.28 0.00 0.00 59.70 59.78 1yaj h MET 495 Cb 0.46 -0.11 0.00 0.00 -0.80 0.00 0.00 31.60 31.15 1yaj h MET 495 CO -0.27 0.49 -0.19 0.28 0.23 0.00 0.00 176.91 177.45 1yaj h VAL 496 N 0.55 0.57 -0.20 -5.77 2.07 -0.63 0.07 116.25 112.91 1yaj h VAL 496 Ca 0.15 -0.38 0.06 0.00 0.82 0.00 0.00 66.70 67.34 1yaj h VAL 496 Cb 0.07 0.75 -0.06 0.00 -1.52 0.00 0.00 31.29 30.54 1yaj h VAL 496 CO -0.02 0.07 -0.21 0.24 0.02 0.00 0.00 177.57 177.67 1yaj h MET 497 N -0.77 -0.22 0.03 1.57 2.07 -1.22 0.81 114.93 117.19 1yaj h MET 497 Ca -0.06 0.02 0.03 0.00 -2.07 0.00 0.00 59.70 57.62 1yaj h MET 497 Cb 0.53 0.05 -0.05 0.00 -1.87 0.00 0.00 31.60 30.26 1yaj h MET 497 CO 0.09 -0.15 -0.37 0.87 1.07 0.00 0.00 176.91 178.42 1yaj h LYS 498 N -0.23 -0.53 -0.51 1.72 1.79 -0.91 0.34 116.57 118.24 1yaj h LYS 498 Ca 0.12 0.04 0.10 0.00 -2.18 0.00 0.00 60.65 58.73 1yaj h LYS 498 Cb 0.42 0.12 -0.10 0.00 -1.58 0.00 0.00 32.23 31.08 1yaj h LYS 498 CO -0.34 -0.35 -0.31 0.74 -1.08 0.00 0.00 179.45 178.11 1yaj h PHE 499 N -0.55 -0.85 0.00 -1.35 0.05 0.15 0.56 116.94 114.95 1yaj h PHE 499 Ca 0.05 0.06 -0.00 0.00 3.82 0.00 0.00 57.97 61.90 1yaj h PHE 499 Cb 0.62 0.45 0.00 0.00 2.00 0.00 0.00 35.95 39.02 1yaj h PHE 499 CO -0.37 -0.37 -0.00 -1.49 -0.18 0.00 0.00 178.31 175.90 1yaj h TRP 500 N -0.18 -0.00 -1.00 -0.55 -0.00 0.10 -2.05 115.95 112.27 1yaj h TRP 500 Ca 0.21 -0.00 0.02 0.00 -0.00 0.00 0.00 58.89 59.12 1yaj h TRP 500 Cb 0.54 0.00 -0.05 0.00 -0.00 0.00 0.00 29.16 29.64 1yaj h TRP 500 CO -0.58 0.17 0.66 0.00 -0.00 0.00 0.00 178.44 178.69 1yaj h ALA 501 N 0.82 1.29 -0.39 1.49 0.00 0.25 -0.38 119.26 122.34 1yaj h ALA 501 Ca -0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1yaj h ALA 501 Cb 0.18 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1yaj h ALA 501 CO 0.00 0.62 0.20 -0.91 0.00 0.00 0.00 179.25 179.17 1yaj h ASN 502 N 1.33 0.47 -0.30 0.00 2.35 0.34 0.07 115.58 119.84 1yaj h ASN 502 Ca 0.38 -0.03 -0.13 0.00 -0.55 0.00 0.00 56.30 55.96 1yaj h ASN 502 Cb -0.11 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.14 1yaj h ASN 502 CO -0.09 0.40 -0.33 0.15 -1.65 0.00 0.00 177.43 175.90 1yaj h PHE 503 N 0.54 0.91 -0.05 1.19 3.57 -0.39 -1.02 116.94 121.69 1yaj h PHE 503 Ca 0.14 -0.28 -0.05 0.00 3.53 0.00 0.00 57.97 61.31 1yaj h PHE 503 Cb 0.04 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.58 1yaj h PHE 503 CO 0.00 1.05 -0.18 0.00 -2.23 0.00 0.00 178.31 176.96 1yaj h ALA 504 N 0.71 1.60 0.10 2.41 0.00 -0.63 1.10 119.26 124.55 1yaj h ALA 504 Ca 0.04 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1yaj h ALA 504 Cb 0.91 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1yaj h ALA 504 CO 0.08 0.29 -0.05 0.00 0.00 0.00 0.00 179.25 179.57 1yaj h ARG 505 N 0.08 -0.13 -0.00 0.00 3.08 -0.76 -3.41 114.38 113.24 1yaj h ARG 505 Ca 0.02 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1yaj h ARG 505 Cb 0.37 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.45 1yaj h ARG 505 CO 0.03 0.27 -0.18 0.09 -1.07 0.00 0.00 179.97 179.10 1yaj n ASN 506 N -4.83 0.68 -0.10 7.04 3.02 -0.41 -4.97 115.26 115.69 1yaj n ASN 506 Ca -0.06 -0.84 -0.01 0.00 -0.03 0.00 0.00 54.58 53.64 1yaj n ASN 506 Cb 0.23 0.68 -0.00 0.00 -0.61 0.00 0.00 39.78 40.07 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 0.88 0.40 3.06 7.41 0.00 0.38 -5.01 105.19 112.31 1yaj n GLY 507 Ca 0.02 -0.95 -0.13 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.97 0.02 0.51 1.61 3.84 -1.24 -4.90 114.94 111.81 1yaj s ASN 508 Ca 0.00 0.61 0.28 0.00 0.21 0.00 0.00 52.86 53.97 1yaj s ASN 508 Cb 0.00 0.63 1.32 0.00 -0.55 0.00 0.00 41.25 42.65 1yaj s ASN 508 CO 0.00 -0.21 1.99 1.55 -2.79 0.00 0.00 177.10 177.64 1yaj h PRO 509 N 7.78 0.00 0.00 0.43 0.13 -1.78 -3.08 132.00 135.48 1yaj h PRO 509 Ca -0.26 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.61 1yaj h PRO 509 Cb 1.13 0.00 0.15 0.00 0.13 0.00 0.00 31.00 32.41 1yaj h PRO 509 CO 0.24 0.13 -0.10 0.09 -0.23 0.00 0.00 178.00 178.13 1yaj n ASN 510 N -3.42 -3.34 0.00 1.44 3.02 -1.26 -4.46 115.26 107.24 1yaj n ASN 510 Ca -0.01 -0.64 0.00 0.00 -0.03 0.00 0.00 54.58 53.90 1yaj n ASN 510 Cb 0.31 -0.69 0.00 0.00 -0.61 0.00 0.00 39.78 38.79 1yaj n ASN 510 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1yaj n GLY 511 N -3.85 4.85 3.63 7.41 0.00 -1.26 -4.85 105.19 111.12 1yaj n GLY 511 Ca 0.10 -1.04 -0.55 0.00 0.00 0.00 0.00 46.02 44.52 1yaj n GLY 511 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1yaj n GLU 512 N -1.89 1.06 0.00 1.61 0.28 -1.26 -2.47 120.64 117.97 1yaj n GLU 512 Ca 0.00 0.39 0.00 0.00 -0.16 0.00 0.00 57.16 57.39 1yaj n GLU 512 Cb 0.00 -2.03 0.00 0.00 1.43 0.00 0.00 31.44 30.84 1yaj n GLU 512 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1yaj n GLY 513 N 3.10 2.30 3.78 -1.84 0.00 -1.26 -5.10 105.19 106.16 1yaj n GLY 513 Ca 0.22 -0.55 -0.22 0.00 0.00 0.00 0.00 46.02 45.46 1yaj n GLY 513 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1yaj s LEU 514 N 0.00 3.58 0.00 0.99 1.43 -1.03 -5.12 118.68 118.52 1yaj s LEU 514 Ca 0.00 -0.43 -0.03 0.00 -1.03 0.00 0.00 54.13 52.64 1yaj s LEU 514 Cb 0.00 -2.12 0.04 0.00 0.03 0.00 0.00 46.19 44.14 1yaj s LEU 514 CO 0.00 -0.10 0.10 -2.65 0.23 0.00 0.00 176.35 173.93 1yaj n PRO 515 N -1.14 -2.15 -3.94 1.29 -0.02 -1.26 -4.83 135.00 122.95 1yaj n PRO 515 Ca -0.06 -0.16 -0.37 0.00 -2.02 0.00 0.00 63.50 60.89 1yaj n PRO 515 Cb 0.59 -0.20 -0.07 0.00 -0.02 0.00 0.00 33.50 33.80 1yaj n PRO 515 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1yaj s HIS 516 N -1.13 3.53 -0.25 6.00 2.46 -1.26 -4.82 115.29 119.81 1yaj s HIS 516 Ca 0.07 0.47 0.03 0.00 0.47 0.00 0.00 55.06 56.10 1yaj s HIS 516 Cb -0.01 -1.93 0.06 0.00 -0.13 0.00 0.00 32.58 30.56 1yaj s HIS 516 CO 0.06 0.68 -0.11 -0.46 -2.47 0.00 0.00 174.74 172.43 1yaj s TRP 517 N -0.94 3.14 0.63 3.88 -0.11 -1.26 -4.46 118.94 119.83 1yaj s TRP 517 Ca 0.14 -2.21 -0.15 0.00 1.22 0.00 0.00 56.10 55.11 1yaj s TRP 517 Cb -0.12 -1.90 -0.02 0.00 -1.50 0.00 0.00 33.47 29.94 1yaj s TRP 517 CO 0.03 -0.86 1.07 -1.25 -4.62 0.00 0.00 176.95 171.32 1yaj s PRO 518 N 1.15 3.09 0.14 5.86 0.04 -1.26 -4.85 135.00 139.16 1yaj s PRO 518 Ca -0.07 1.22 -0.28 0.00 0.04 0.00 0.00 61.00 61.91 1yaj s PRO 518 Cb -0.19 -2.00 -0.07 0.00 0.04 0.00 0.00 34.50 32.28 1yaj s PRO 518 CO -0.06 -1.00 0.87 -2.00 0.04 0.00 0.00 177.00 174.85 1yaj s GLU 519 N -4.25 4.66 -0.97 4.56 2.12 -1.26 -4.63 118.70 118.93 1yaj s GLU 519 Ca 0.64 1.30 -0.17 0.00 0.36 0.00 0.00 54.97 57.09 1yaj s GLU 519 Cb -0.17 -3.32 -0.10 0.00 0.26 0.00 0.00 34.13 30.80 1yaj s GLU 519 CO 0.41 0.40 2.06 0.98 -0.54 0.00 0.00 175.26 178.57 1yaj n TYR 520 N 2.16 2.16 -1.03 5.30 9.36 0.11 -4.07 117.16 131.16 1yaj n TYR 520 Ca -0.02 -2.13 0.00 0.00 3.32 0.00 0.00 57.90 59.07 1yaj n TYR 520 Cb 0.49 -1.91 0.00 0.00 -0.63 0.00 0.00 39.34 37.29 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 6.51 0.00 -0.24 2.98 6.94 -1.26 -4.74 115.26 125.45 1yaj n ASN 521 Ca 0.50 0.00 0.03 0.00 -0.02 0.00 0.00 54.58 55.09 1yaj n ASN 521 Cb 0.35 0.00 0.15 0.00 -2.36 0.00 0.00 39.78 37.93 1yaj n ASN 521 CO 0.00 0.00 0.00 1.56 -1.03 0.00 0.00 177.26 177.79 1yaj h GLN 522 N 0.00 0.48 0.00 -3.83 1.08 -1.99 0.25 115.11 111.10 1yaj h GLN 522 Ca 0.00 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 1yaj h GLN 522 Cb 0.00 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.32 1yaj h GLN 522 CO 0.00 0.32 0.00 1.63 -0.95 0.00 0.00 178.83 179.83 1yaj n LYS 523 N -4.95 0.16 -3.53 1.46 4.01 -1.26 -4.85 118.16 109.19 1yaj n LYS 523 Ca 0.12 0.58 -0.20 0.00 -0.51 0.00 0.00 58.31 58.30 1yaj n LYS 523 Cb 0.34 -1.95 0.08 0.00 -0.51 0.00 0.00 35.03 32.99 1yaj n LYS 523 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 1yaj n GLU 524 N -2.27 -6.82 -2.16 1.97 1.02 0.88 -4.15 120.64 109.10 1yaj n GLU 524 Ca -0.00 0.81 -0.32 0.00 -0.02 0.00 0.00 57.16 57.62 1yaj n GLU 524 Cb 0.09 -5.79 -0.01 0.00 -0.02 0.00 0.00 31.44 25.72 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 -3.99 2.03 -0.03 0.62 0.00 -1.26 -1.42 107.32 103.27 1yaj s GLY 525 Ca 0.21 0.24 -0.25 0.00 0.00 0.00 0.00 44.72 44.92 1yaj s GLY 525 CO 0.74 0.53 0.55 -2.52 0.00 0.00 0.00 173.10 172.40 1yaj s TYR 526 N -2.63 -0.49 0.23 1.90 -0.85 -1.00 -4.00 117.35 110.51 1yaj s TYR 526 Ca 0.60 0.81 -0.18 0.00 -0.52 0.00 0.00 57.07 57.77 1yaj s TYR 526 Cb -0.13 0.30 -0.08 0.00 0.38 0.00 0.00 41.96 42.43 1yaj s TYR 526 CO 0.37 -0.54 0.71 -1.17 -1.52 0.00 0.00 175.55 173.39 1yaj s LEU 527 N -1.28 4.31 -0.73 -3.49 2.96 -1.14 -1.31 118.68 117.99 1yaj s LEU 527 Ca -0.12 1.36 -0.04 0.00 -0.22 0.00 0.00 54.13 55.12 1yaj s LEU 527 Cb -0.02 -3.61 0.19 0.00 0.50 0.00 0.00 46.19 43.25 1yaj s LEU 527 CO 0.07 0.01 0.58 -1.58 -1.32 0.00 0.00 176.35 174.12 1yaj s GLN 528 N -2.09 2.92 -0.01 1.98 0.74 -0.22 -2.07 119.66 120.91 1yaj s GLN 528 Ca 0.44 -2.74 -0.30 0.00 0.05 0.00 0.00 55.36 52.81 1yaj s GLN 528 Cb -0.16 -3.90 -0.04 0.00 1.10 0.00 0.00 33.01 30.02 1yaj s GLN 528 CO 0.20 -1.22 1.13 0.42 -0.55 0.00 0.00 175.29 175.28 1yaj s ILE 529 N -0.40 4.38 0.00 -2.34 1.01 -0.87 -2.18 121.20 120.80 1yaj s ILE 529 Ca 0.20 1.70 0.00 0.00 0.00 0.00 0.00 60.65 62.55 1yaj s ILE 529 Cb -0.15 -4.09 0.00 0.00 0.01 0.00 0.00 42.46 38.22 1yaj s ILE 529 CO -0.06 0.08 0.00 0.61 0.00 0.00 0.00 174.94 175.56 1yaj n GLY 530 N 3.18 1.57 0.24 6.18 0.00 -1.26 0.91 105.19 116.00 1yaj n GLY 530 Ca 0.09 -0.28 -0.03 0.00 0.00 0.00 0.00 46.02 45.79 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 2.00 1.11 -2.41 4.61 0.00 -1.92 -3.31 119.26 119.33 1yaj h ALA 531 Ca 0.00 -0.34 -0.60 0.00 0.00 0.00 0.00 54.91 53.97 1yaj h ALA 531 Cb 0.00 -0.12 -0.41 0.00 0.00 0.00 0.00 17.79 17.26 1yaj h ALA 531 CO 0.00 0.55 -0.74 0.09 0.00 0.00 0.00 179.25 179.16 1yaj n ASN 532 N -4.12 2.33 -4.69 0.00 3.02 -1.26 -5.04 115.26 105.50 1yaj n ASN 532 Ca -0.00 -3.10 -0.45 0.00 -0.03 0.00 0.00 54.58 51.00 1yaj n ASN 532 Cb 0.41 -0.67 -0.04 0.00 -0.61 0.00 0.00 39.78 38.87 1yaj n ASN 532 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1yaj n THR 533 N 1.50 0.20 -3.63 3.41 -1.04 -1.25 -4.96 114.28 108.51 1yaj n THR 533 Ca 0.26 -0.04 -0.16 0.00 -2.04 0.00 0.00 64.05 62.07 1yaj n THR 533 Cb 0.43 -1.84 -0.07 0.00 -1.82 0.00 0.00 70.33 67.02 1yaj n THR 533 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1yaj s GLN 534 N 1.99 0.89 0.71 -2.82 0.00 -0.93 -4.96 119.66 114.55 1yaj s GLN 534 Ca 0.81 0.03 -0.12 0.00 -0.00 0.00 0.00 55.36 56.09 1yaj s GLN 534 Cb -0.59 0.41 0.02 0.00 0.00 0.00 0.00 33.01 32.85 1yaj s GLN 534 CO 0.39 -0.27 1.08 0.00 0.00 0.00 0.00 175.29 176.49 1yaj s ALA 535 N -1.34 2.49 0.00 2.60 0.00 -1.26 -1.06 121.76 123.19 1yaj s ALA 535 Ca -0.12 0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.08 1yaj s ALA 535 Cb -0.02 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.86 1yaj s ALA 535 CO 0.07 -1.41 0.00 0.00 0.00 0.00 0.00 175.76 174.41 1yaj n ALA 536 N -3.12 0.00 -2.11 0.00 0.00 -0.43 -4.83 120.51 110.02 1yaj n ALA 536 Ca 0.09 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.45 1yaj n ALA 536 Cb 0.53 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.88 1yaj n ALA 536 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1yaj s GLN 537 N -1.26 0.72 -0.21 0.00 -0.21 -1.26 -2.36 119.66 115.08 1yaj s GLN 537 Ca 0.00 -1.30 -0.19 0.00 0.02 0.00 0.00 55.36 53.90 1yaj s GLN 537 Cb 0.00 0.22 0.03 0.00 1.00 0.00 0.00 33.01 34.26 1yaj s GLN 537 CO 0.00 -0.16 0.31 1.63 -2.12 0.00 0.00 175.29 174.95 1yaj n LYS 538 N 0.04 -0.95 -2.80 2.91 5.02 -0.51 -4.87 118.16 117.00 1yaj n LYS 538 Ca -0.11 0.82 -0.41 0.00 -2.02 0.00 0.00 58.31 56.59 1yaj n LYS 538 Cb 0.62 -1.13 -0.04 0.00 -0.02 0.00 0.00 35.03 34.46 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 -1.35 4.44 -0.48 -0.35 2.96 -1.26 -3.72 118.68 118.91 1yaj s LEU 539 Ca 0.18 1.64 0.00 0.00 -0.22 0.00 0.00 54.13 55.73 1yaj s LEU 539 Cb -0.02 -3.47 0.00 0.00 0.50 0.00 0.00 46.19 43.20 1yaj s LEU 539 CO 0.41 -0.11 0.00 0.29 -1.32 0.00 0.00 176.35 175.62 1yaj n LYS 540 N 3.20 -1.54 -0.28 1.98 4.76 -1.26 -4.76 118.16 120.24 1yaj n LYS 540 Ca 0.02 0.35 0.07 0.00 -2.87 0.00 0.00 58.31 55.89 1yaj n LYS 540 Cb 0.50 -4.11 0.30 0.00 -1.84 0.00 0.00 35.03 29.88 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 0.80 -0.21 4.39 1.82 -1.94 -1.73 116.42 119.55 1yaj h ASP 541 Ca -0.09 0.02 -0.16 0.00 -0.39 0.00 0.00 57.03 56.41 1yaj h ASP 541 Cb 0.46 -0.14 -0.01 0.00 0.68 0.00 0.00 39.33 40.33 1yaj h ASP 541 CO 0.13 0.47 -0.46 0.50 -1.61 0.00 0.00 179.24 178.27 1yaj h LYS 542 N 0.88 0.77 -0.26 0.28 3.64 -1.87 -3.17 116.57 116.84 1yaj h LYS 542 Ca 0.41 -0.44 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 1yaj h LYS 542 Cb 0.42 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 1yaj h LYS 542 CO -0.18 1.07 0.11 0.93 -2.27 0.00 0.00 179.45 179.11 1yaj h GLU 543 N 0.62 0.37 -0.65 1.90 3.07 -1.72 -2.70 114.58 115.47 1yaj h GLU 543 Ca 0.04 -0.06 0.13 0.00 -0.50 0.00 0.00 59.36 58.97 1yaj h GLU 543 Cb 1.03 -0.06 -0.10 0.00 -0.84 0.00 0.00 28.75 28.78 1yaj h GLU 543 CO 0.10 0.39 0.11 0.28 -1.40 0.00 0.00 179.01 178.49 1yaj h VAL 544 N 0.27 0.55 0.59 3.13 2.07 -1.40 0.10 116.25 121.57 1yaj h VAL 544 Ca 0.09 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.51 1yaj h VAL 544 Cb 0.15 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 1yaj h VAL 544 CO -0.01 0.04 -0.48 0.00 0.02 0.00 0.00 177.57 177.15 1yaj h ALA 545 N 1.55 -1.19 -0.97 1.67 0.00 -1.48 1.63 119.26 120.47 1yaj h ALA 545 Ca 0.35 -0.21 0.20 0.00 0.00 0.00 0.00 54.91 55.25 1yaj h ALA 545 Cb 0.57 0.66 -0.09 0.00 0.00 0.00 0.00 17.79 18.93 1yaj h ALA 545 CO -0.47 -1.19 0.61 0.35 0.00 0.00 0.00 179.25 178.55 1yaj h PHE 546 N -1.03 0.86 0.11 0.00 3.57 -1.09 -0.51 116.94 118.85 1yaj h PHE 546 Ca -0.08 0.03 -0.18 0.00 3.53 0.00 0.00 57.97 61.27 1yaj h PHE 546 Cb 0.87 -0.26 0.01 0.00 2.79 0.00 0.00 35.95 39.36 1yaj h PHE 546 CO -0.18 0.21 -0.86 -1.49 -2.23 0.00 0.00 178.31 173.76 1yaj h TRP 547 N 0.63 0.43 -0.89 0.41 4.06 -0.34 -1.66 115.95 118.59 1yaj h TRP 547 Ca 0.54 -0.32 0.09 0.00 2.06 0.00 0.00 58.89 61.25 1yaj h TRP 547 Cb 1.01 -0.02 -0.07 0.00 -1.00 0.00 0.00 29.16 29.08 1yaj h TRP 547 CO -0.00 1.33 0.54 1.15 -3.56 0.00 0.00 178.44 177.90 1yaj h THR 548 N -0.46 0.97 0.23 1.49 2.02 0.29 0.25 112.91 117.69 1yaj h THR 548 Ca -0.17 -0.32 -0.01 0.00 0.77 0.00 0.00 66.41 66.68 1yaj h THR 548 Cb 1.58 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.95 1yaj h THR 548 CO 0.10 0.17 -0.11 0.78 0.37 0.00 0.00 175.52 176.83 1yaj h ASN 549 N 0.93 -0.26 -0.80 4.18 2.35 -1.21 -1.62 115.58 119.14 1yaj h ASN 549 Ca 0.41 0.01 0.19 0.00 -0.55 0.00 0.00 56.30 56.36 1yaj h ASN 549 Cb 0.30 0.07 -0.14 0.00 0.05 0.00 0.00 38.32 38.60 1yaj h ASN 549 CO -0.22 0.00 0.07 0.25 -1.65 0.00 0.00 177.43 175.88 1yaj h LEU 550 N -0.69 -0.26 -0.49 1.61 5.85 -1.25 0.32 115.31 120.40 1yaj h LEU 550 Ca -0.03 0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 1yaj h LEU 550 Cb 0.24 0.33 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 1yaj h LEU 550 CO 0.05 -0.18 0.21 -0.26 -0.34 0.00 0.00 178.44 177.92 1yaj h PHE 551 N 0.13 0.73 0.00 1.25 -1.00 -0.56 -2.64 116.94 114.85 1yaj h PHE 551 Ca 0.46 -0.05 0.00 0.00 2.81 0.00 0.00 57.97 61.19 1yaj h PHE 551 Cb 0.85 -0.22 0.00 0.00 3.61 0.00 0.00 35.95 40.19 1yaj h PHE 551 CO -0.39 0.60 0.00 0.00 -1.61 0.00 0.00 178.31 176.91 1yaj n ALA 552 N -2.32 2.18 -0.50 2.45 0.00 0.10 -5.09 120.51 117.34 1yaj n ALA 552 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1yaj n ALA 552 Cb 0.14 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.59 1yaj n ALA 552 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13