#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ijr s PRO 2 N 0.00 0.41 0.00 0.00 0.02 -1.26 -4.88 135.00 129.28 3ijr s PRO 2 Ca 0.00 0.79 0.21 0.00 0.02 0.00 0.00 61.00 62.02 3ijr s PRO 2 Cb 0.00 -0.00 0.53 0.00 0.02 0.00 0.00 34.50 35.05 3ijr s PRO 2 CO 0.00 -0.15 1.45 1.04 -0.33 0.00 0.00 177.00 179.00 3ijr n GLN 3 N 4.18 2.23 -0.08 5.54 1.13 -1.26 -4.62 117.38 124.51 3ijr n GLN 3 Ca -0.23 -1.87 -0.07 0.00 -1.94 0.00 0.00 57.00 52.89 3ijr n GLN 3 Cb 0.55 -1.46 -0.01 0.00 0.11 0.00 0.00 30.24 29.44 3ijr n GLN 3 CO 0.00 0.00 0.00 1.96 -1.44 0.00 0.00 177.06 177.58 3ijr h GLN 4 N 3.53 -0.06 0.00 -1.09 7.50 -2.00 -2.29 115.11 120.71 3ijr h GLN 4 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 3ijr h GLN 4 Cb 0.78 0.01 0.00 0.00 0.05 0.00 0.00 27.48 28.33 3ijr h GLN 4 CO 0.00 -0.04 0.00 1.63 -1.50 0.00 0.00 178.83 178.92 3ijr n LYS 5 N -5.29 0.14 0.19 1.46 5.02 -1.26 -2.50 118.16 115.92 3ijr n LYS 5 Ca 0.00 0.17 0.12 0.00 -2.02 0.00 0.00 58.31 56.59 3ijr n LYS 5 Cb 0.21 -1.50 0.22 0.00 -0.02 0.00 0.00 35.03 33.94 3ijr n LYS 5 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 3ijr h ASN 6 N 0.00 0.00 -2.60 4.39 2.35 -1.74 -3.44 115.58 114.53 3ijr h ASN 6 Ca 0.00 -0.00 -0.56 0.00 -0.55 0.00 0.00 56.30 55.18 3ijr h ASN 6 Cb 0.19 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.55 3ijr h ASN 6 CO 0.00 0.00 1.19 -0.36 -1.65 0.00 0.00 177.43 176.62 3ijr s PHE 7 N -3.19 1.85 0.26 1.19 0.08 -1.04 -4.88 117.98 112.25 3ijr s PHE 7 Ca 0.08 0.40 -0.05 0.00 0.12 0.00 0.00 56.93 57.48 3ijr s PHE 7 Cb 0.07 -4.01 0.30 0.00 -0.57 0.00 0.00 43.02 38.80 3ijr s PHE 7 CO 0.66 -3.47 1.89 0.28 -0.10 0.00 0.00 175.22 174.48 3ijr h VAL 8 N 6.22 1.24 0.00 -0.44 2.07 -1.91 -3.49 116.25 119.95 3ijr h VAL 8 Ca -0.37 -0.56 0.00 0.00 0.82 0.00 0.00 66.70 66.59 3ijr h VAL 8 Cb 1.18 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 3ijr h VAL 8 CO 0.99 0.26 0.00 0.35 0.02 0.00 0.00 177.57 179.19 3ijr n THR 9 N -4.35 0.00 -4.16 2.57 -2.24 -1.26 -4.97 114.28 99.87 3ijr n THR 9 Ca 0.09 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.55 3ijr n THR 9 Cb 0.08 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.23 3ijr n THR 9 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 3ijr s PRO 11 N 3.10 2.87 0.04 -0.78 0.02 -1.26 -5.07 135.00 133.91 3ijr s PRO 11 Ca 0.00 -0.62 -0.30 0.00 0.02 0.00 0.00 61.00 60.10 3ijr s PRO 11 Cb 0.00 -2.73 -0.08 0.00 0.02 0.00 0.00 34.50 31.72 3ijr s PRO 11 CO 0.00 0.61 1.65 0.00 -0.33 0.00 0.00 177.00 178.92 3ijr s ALA 12 N -1.21 3.66 0.05 -1.55 0.00 -1.26 -4.55 121.76 116.89 3ijr s ALA 12 Ca 0.23 1.13 -0.27 0.00 0.00 0.00 0.00 51.96 53.06 3ijr s ALA 12 Cb -0.12 -3.70 0.09 0.00 0.00 0.00 0.00 23.12 19.39 3ijr s ALA 12 CO 0.15 -1.17 0.78 1.14 0.00 0.00 0.00 175.76 176.66 3ijr s GLN 13 N 2.98 0.99 -0.27 0.00 -2.07 -1.26 -5.04 119.66 114.99 3ijr s GLN 13 Ca 0.74 -0.31 -0.22 0.00 -1.82 0.00 0.00 55.36 53.74 3ijr s GLN 13 Cb -0.38 0.46 0.07 0.00 -1.09 0.00 0.00 33.01 32.07 3ijr s GLN 13 CO 0.32 -0.42 0.72 -1.58 -1.32 0.00 0.00 175.29 173.00 3ijr s HIS 14 N -3.16 -0.86 -0.12 9.60 2.46 -1.26 -4.11 115.29 117.84 3ijr s HIS 14 Ca 0.02 1.98 -0.03 0.00 0.47 0.00 0.00 55.06 57.50 3ijr s HIS 14 Cb -0.01 0.37 -0.03 0.00 -0.13 0.00 0.00 32.58 32.78 3ijr s HIS 14 CO -0.09 -0.42 -0.01 -0.65 -2.47 0.00 0.00 174.74 171.10 3ijr s GLN 15 N 0.73 3.29 0.34 2.88 -0.21 -0.41 -4.97 119.66 121.31 3ijr s GLN 15 Ca -0.03 -0.45 0.26 0.00 0.02 0.00 0.00 55.36 55.16 3ijr s GLN 15 Cb -0.05 -2.85 0.76 0.00 1.00 0.00 0.00 33.01 31.86 3ijr s GLN 15 CO -0.05 0.50 1.74 -0.91 -2.12 0.00 0.00 175.29 174.46 3ijr h ASN 16 N 5.83 0.00 -4.47 5.90 2.35 -1.89 -3.38 115.58 119.91 3ijr h ASN 16 Ca -0.43 0.00 -0.67 0.00 -0.55 0.00 0.00 56.30 54.65 3ijr h ASN 16 Cb 1.19 0.00 -0.29 0.00 0.05 0.00 0.00 38.32 39.27 3ijr h ASN 16 CO 0.59 0.00 -0.88 -1.59 -1.65 0.00 0.00 177.43 173.90 3ijr s LYS 17 N -3.24 1.89 0.02 0.81 0.00 -1.26 -5.11 119.74 112.85 3ijr s LYS 17 Ca 0.07 -0.94 0.09 0.00 0.00 0.00 0.00 55.97 55.19 3ijr s LYS 17 Cb 0.09 -1.89 -0.03 0.00 0.00 0.00 0.00 37.83 36.00 3ijr s LYS 17 CO 0.58 0.51 -0.26 -1.14 0.00 0.00 0.00 175.35 175.05 3ijr s GLN 18 N -0.78 1.86 0.38 1.78 0.74 -1.26 -4.00 119.66 118.38 3ijr s GLN 18 Ca 0.10 -1.04 -0.27 0.00 0.05 0.00 0.00 55.36 54.20 3ijr s GLN 18 Cb -0.09 -1.96 -0.09 0.00 1.10 0.00 0.00 33.01 31.96 3ijr s GLN 18 CO 0.00 0.52 1.32 -1.25 -0.55 0.00 0.00 175.29 175.32 3ijr s PRO 19 N -1.04 4.10 0.90 1.67 0.04 -1.26 -5.15 135.00 134.26 3ijr s PRO 19 Ca 0.11 2.20 -0.11 0.00 0.04 0.00 0.00 61.00 63.25 3ijr s PRO 19 Cb -0.10 -2.87 0.14 0.00 0.04 0.00 0.00 34.50 31.71 3ijr s PRO 19 CO 0.01 -0.40 1.11 0.20 0.04 0.00 0.00 177.00 177.96 3ijr s GLY 20 N -0.62 1.66 -0.19 0.56 0.00 -1.25 -5.01 107.32 102.47 3ijr s GLY 20 Ca 0.54 0.36 -0.03 0.00 0.00 0.00 0.00 44.72 45.60 3ijr s GLY 20 CO 0.51 0.80 -0.07 -0.42 0.00 0.00 0.00 173.10 173.92 3ijr s ILE 21 N -2.73 3.25 0.24 0.90 -1.09 -1.26 -4.87 121.20 115.64 3ijr s ILE 21 Ca 0.65 -0.55 -0.00 0.00 -2.23 0.00 0.00 60.65 58.51 3ijr s ILE 21 Cb -0.21 -2.44 0.02 0.00 -1.58 0.00 0.00 42.46 38.25 3ijr s ILE 21 CO 0.58 0.46 1.63 -0.08 -1.23 0.00 0.00 174.94 176.30 3ijr h GLU 22 N 7.62 0.55 0.00 2.79 4.81 -1.96 -2.91 114.58 125.48 3ijr h GLU 22 Ca -0.37 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 58.61 3ijr h GLU 22 Cb 1.17 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.55 3ijr h GLU 22 CO 0.60 0.82 0.00 0.66 -0.73 0.00 0.00 179.01 180.36 3ijr h SER 23 N 0.47 0.00 -0.61 1.04 4.64 -1.99 -3.45 113.55 113.65 3ijr h SER 23 Ca 0.05 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 61.00 3ijr h SER 23 Cb 0.82 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 62.78 3ijr h SER 23 CO 0.07 0.00 0.08 0.18 -0.87 0.00 0.00 176.83 176.29 3ijr n LEU 24 N -2.92 5.96 0.00 5.97 4.77 -1.10 -5.05 117.00 124.63 3ijr n LEU 24 Ca -0.01 -3.70 0.00 0.00 -0.03 0.00 0.00 56.01 52.27 3ijr n LEU 24 Cb 0.14 -1.31 0.00 0.00 -2.33 0.00 0.00 43.42 39.92 3ijr n LEU 24 CO 0.21 1.72 0.00 -3.20 -1.33 0.00 0.00 177.39 174.79 3ijr n ASN 26 N 1.58 0.00 -4.85 -1.43 5.15 -1.26 -5.09 115.26 109.35 3ijr n ASN 26 Ca 0.47 0.00 -0.30 0.00 -0.60 0.00 0.00 54.58 54.14 3ijr n ASN 26 Cb 0.71 0.00 0.05 0.00 -0.53 0.00 0.00 39.78 40.00 3ijr n ASN 26 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3ijr s PRO 27 N 0.00 2.87 0.25 1.20 0.04 -1.26 -4.21 135.00 133.90 3ijr s PRO 27 Ca 0.00 0.66 -0.30 0.00 0.04 0.00 0.00 61.00 61.41 3ijr s PRO 27 Cb 0.00 -2.01 -0.10 0.00 0.04 0.00 0.00 34.50 32.44 3ijr s PRO 27 CO 0.00 -1.07 1.37 -0.51 0.04 0.00 0.00 177.00 176.83 3ijr s LEU 28 N -5.45 4.41 0.49 -3.56 1.43 -1.26 -4.94 118.68 109.80 3ijr s LEU 28 Ca 0.58 2.59 -0.23 0.00 -1.03 0.00 0.00 54.13 56.04 3ijr s LEU 28 Cb -0.12 -3.62 -0.08 0.00 0.03 0.00 0.00 46.19 42.40 3ijr s LEU 28 CO 0.53 -0.61 1.17 -2.65 0.23 0.00 0.00 176.35 175.03 3ijr n PRO 29 N 2.08 1.53 -2.87 1.29 -0.02 -1.26 -4.89 135.00 130.85 3ijr n PRO 29 Ca 0.05 0.56 -0.43 0.00 -2.02 0.00 0.00 63.50 61.66 3ijr n PRO 29 Cb 0.41 -2.31 -0.04 0.00 -0.02 0.00 0.00 33.50 31.54 3ijr n PRO 29 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 3ijr s GLN 30 N -2.45 3.29 0.00 -0.52 0.74 -1.26 -4.85 119.66 114.62 3ijr s GLN 30 Ca 0.67 -0.37 0.23 0.00 0.05 0.00 0.00 55.36 55.95 3ijr s GLN 30 Cb -0.48 -4.07 0.12 0.00 1.10 0.00 0.00 33.01 29.68 3ijr s GLN 30 CO 0.53 -1.48 1.16 1.97 -0.55 0.00 0.00 175.29 176.92 3ijr n PHE 31 N 7.35 0.00 -4.55 1.67 1.16 -1.26 -1.41 117.46 120.42 3ijr n PHE 31 Ca 0.00 0.00 -0.21 0.00 -1.87 0.00 0.00 57.45 55.38 3ijr n PHE 31 Cb 0.47 -0.03 -0.15 0.00 -1.61 0.00 0.00 39.48 38.16 3ijr n PHE 31 CO 0.00 0.00 0.00 -2.00 -1.87 0.00 0.00 176.76 172.89 3ijr s GLU 32 N -2.59 1.00 -0.41 3.97 2.12 -1.26 -4.21 118.70 117.32 3ijr s GLU 32 Ca 0.18 -0.44 -0.16 0.00 0.36 0.00 0.00 54.97 54.90 3ijr s GLU 32 Cb 0.18 -0.97 0.02 0.00 0.26 0.00 0.00 34.13 33.62 3ijr s GLU 32 CO 0.62 0.26 0.39 0.34 -0.54 0.00 0.00 175.26 176.33 3ijr s ASP 33 N -0.29 6.16 0.66 -1.70 2.15 -1.26 -4.90 116.67 117.49 3ijr s ASP 33 Ca 0.05 -0.73 0.40 0.00 0.43 0.00 0.00 52.55 52.70 3ijr s ASP 33 Cb -0.05 -2.20 2.21 0.00 -0.30 0.00 0.00 42.92 42.58 3ijr s ASP 33 CO -0.00 -0.52 2.28 1.55 -0.17 0.00 0.00 175.17 178.30 3ijr h PRO 34 N 8.68 0.00 -0.01 4.34 0.13 -1.99 -0.66 132.00 142.49 3ijr h PRO 34 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 3ijr h PRO 34 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3ijr h PRO 34 CO 0.77 0.00 -0.27 0.09 -0.23 0.00 0.00 178.00 178.35 3ijr n ASN 35 N -3.17 1.67 -4.73 1.44 3.02 -1.26 -4.95 115.26 107.29 3ijr n ASN 35 Ca -0.03 -1.32 -0.42 0.00 -0.03 0.00 0.00 54.58 52.78 3ijr n ASN 35 Cb 0.14 0.22 -0.03 0.00 -0.61 0.00 0.00 39.78 39.50 3ijr n ASN 35 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3ijr s TYR 36 N -2.37 2.91 -0.19 3.10 5.04 -0.26 -4.98 117.35 120.60 3ijr s TYR 36 Ca 0.25 0.52 -0.00 0.00 -2.44 0.00 0.00 57.07 55.39 3ijr s TYR 36 Cb 0.19 -4.07 0.01 0.00 0.35 0.00 0.00 41.96 38.44 3ijr s TYR 36 CO 0.49 -3.93 -0.17 0.15 -1.34 0.00 0.00 175.55 170.76 3ijr s LYS 37 N 0.73 3.07 0.77 4.97 1.02 -1.26 -5.04 119.74 124.00 3ijr s LYS 37 Ca 0.71 -0.79 -0.11 0.00 0.02 0.00 0.00 55.97 55.80 3ijr s LYS 37 Cb -0.48 -2.67 0.05 0.00 -0.52 0.00 0.00 37.83 34.22 3ijr s LYS 37 CO 0.36 -0.21 1.08 0.20 -0.92 0.00 0.00 175.35 175.86 3ijr s GLY 38 N 1.33 1.65 -0.02 -3.33 0.00 -1.26 -4.99 107.32 100.70 3ijr s GLY 38 Ca 0.05 -0.01 0.14 0.00 0.00 0.00 0.00 44.72 44.90 3ijr s GLY 38 CO -0.11 0.38 1.10 -1.14 0.00 0.00 0.00 173.10 173.33 3ijr n SER 39 N -3.41 0.05 -2.33 1.64 3.41 -1.26 -5.00 113.62 106.72 3ijr n SER 39 Ca 0.08 -2.01 -0.21 0.00 -0.26 0.00 0.00 58.87 56.47 3ijr n SER 39 Cb 0.55 -0.01 -0.01 0.00 -0.26 0.00 0.00 64.21 64.47 3ijr n SER 39 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3ijr n GLU 40 N 0.18 -1.65 0.26 4.33 1.02 -1.26 -4.88 120.64 118.64 3ijr n GLU 40 Ca -0.10 1.02 0.10 0.00 -0.02 0.00 0.00 57.16 58.16 3ijr n GLU 40 Cb 0.93 -5.66 0.69 0.00 -0.02 0.00 0.00 31.44 27.38 3ijr n GLU 40 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 3ijr h LYS 41 N 0.00 0.00 0.00 3.49 1.57 -1.91 -2.93 116.57 116.80 3ijr h LYS 41 Ca -0.49 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.26 3ijr h LYS 41 Cb 1.37 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.61 3ijr h LYS 41 CO 0.59 0.07 -0.48 1.28 -0.57 0.00 0.00 179.45 180.33 3ijr n LEU 42 N -4.15 2.21 -4.70 2.94 4.77 -0.38 -4.65 117.00 113.04 3ijr n LEU 42 Ca -0.03 -3.27 -0.53 0.00 -0.03 0.00 0.00 56.01 52.15 3ijr n LEU 42 Cb 0.15 -0.39 -0.06 0.00 -2.33 0.00 0.00 43.42 40.79 3ijr n LEU 42 CO 0.32 1.05 1.40 1.17 -1.33 0.00 0.00 177.39 180.01 3ijr n LYS 43 N -0.87 1.65 -0.49 3.23 4.81 -0.70 -1.17 118.16 124.62 3ijr n LYS 43 Ca 0.15 0.60 0.00 0.00 -0.87 0.00 0.00 58.31 58.20 3ijr n LYS 43 Cb 0.75 -2.36 0.00 0.00 0.02 0.00 0.00 35.03 33.44 3ijr n LYS 43 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ijr n GLY 44 N 4.28 2.01 3.77 3.14 0.00 -0.34 -4.94 105.19 113.12 3ijr n GLY 44 Ca 0.25 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.89 3ijr n GLY 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ijr s LYS 45 N -0.00 3.96 -0.23 1.61 -0.14 -0.32 -4.79 119.74 119.82 3ijr s LYS 45 Ca 0.00 1.70 -0.06 0.00 -1.36 0.00 0.00 55.97 56.25 3ijr s LYS 45 Cb 0.00 -2.51 -0.03 0.00 -1.68 0.00 0.00 37.83 33.62 3ijr s LYS 45 CO 0.00 -0.37 0.04 -0.80 -0.76 0.00 0.00 175.35 173.46 3ijr s ASN 46 N -1.38 4.97 0.02 2.83 0.01 -1.26 -0.92 114.94 119.21 3ijr s ASN 46 Ca 0.60 -0.21 0.08 0.00 -0.71 0.00 0.00 52.86 52.62 3ijr s ASN 46 Cb -0.27 -1.87 -0.03 0.00 0.41 0.00 0.00 41.25 39.49 3ijr s ASN 46 CO 0.33 0.01 -0.24 -0.69 -1.51 0.00 0.00 177.10 175.00 3ijr s VAL 47 N 1.36 2.30 -0.15 1.60 1.01 -0.17 -0.34 120.40 126.01 3ijr s VAL 47 Ca 0.05 -1.23 0.02 0.00 0.00 0.00 0.00 61.98 60.81 3ijr s VAL 47 Cb -0.15 -1.89 0.01 0.00 0.00 0.00 0.00 36.38 34.36 3ijr s VAL 47 CO 0.02 0.43 -0.20 -0.22 0.00 0.00 0.00 175.10 175.13 3ijr s LEU 48 N -1.08 2.04 -0.20 3.92 2.96 -0.55 -0.29 118.68 125.48 3ijr s LEU 48 Ca 0.12 -0.59 0.01 0.00 -0.22 0.00 0.00 54.13 53.44 3ijr s LEU 48 Cb -0.10 -1.40 0.04 0.00 0.50 0.00 0.00 46.19 45.23 3ijr s LEU 48 CO 0.02 0.04 -0.09 -0.51 -1.32 0.00 0.00 176.35 174.48 3ijr s ILE 49 N 1.03 1.55 -0.04 6.68 2.07 -0.55 -0.27 121.20 131.67 3ijr s ILE 49 Ca -0.02 -0.96 -0.29 0.00 -1.41 0.00 0.00 60.65 57.97 3ijr s ILE 49 Cb -0.14 -1.65 -0.02 0.00 0.13 0.00 0.00 42.46 40.77 3ijr s ILE 49 CO -0.06 0.14 0.96 0.42 -1.91 0.00 0.00 174.94 174.49 3ijr s THR 50 N 1.43 4.86 -0.19 4.00 -4.23 -0.26 -1.75 115.64 119.51 3ijr s THR 50 Ca -0.01 1.99 0.00 0.00 -1.18 0.00 0.00 61.69 62.48 3ijr s THR 50 Cb -0.16 -4.29 0.00 0.00 1.34 0.00 0.00 72.50 69.39 3ijr s THR 50 CO -0.08 0.12 0.00 0.61 -0.54 0.00 0.00 174.62 174.73 3ijr n GLY 51 N 3.00 0.31 0.22 3.99 0.00 0.75 -2.66 105.19 110.80 3ijr n GLY 51 Ca 0.06 -0.82 0.15 0.00 0.00 0.00 0.00 46.02 45.40 3ijr n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ijr n GLY 52 N -1.22 -0.54 0.17 -0.02 0.00 -1.10 -3.96 105.19 98.52 3ijr n GLY 52 Ca -0.02 -0.30 0.04 0.00 0.00 0.00 0.00 46.02 45.73 3ijr n GLY 52 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3ijr h ASP 53 N 1.04 0.00 -5.28 1.61 2.03 -1.84 -2.99 116.42 110.99 3ijr h ASP 53 Ca 0.00 0.00 -0.16 0.00 -0.73 0.00 0.00 57.03 56.14 3ijr h ASP 53 Cb 0.22 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 38.68 3ijr h ASP 53 CO 0.00 0.46 0.04 -0.94 -1.03 0.00 0.00 179.24 177.77 3ijr s SER 54 N -6.49 0.51 1.11 4.15 1.04 -1.26 -4.11 113.70 108.64 3ijr s SER 54 Ca 0.01 -1.34 0.00 0.00 0.48 0.00 0.00 55.95 55.10 3ijr s SER 54 Cb 0.10 0.76 0.00 0.00 0.10 0.00 0.00 66.02 66.98 3ijr s SER 54 CO 0.71 -1.50 0.00 0.61 0.98 0.00 0.00 173.24 174.04 3ijr n GLY 55 N -0.56 2.95 0.24 7.32 0.00 -1.26 -1.70 105.19 112.19 3ijr n GLY 55 Ca -0.04 -0.19 -0.06 0.00 0.00 0.00 0.00 46.02 45.73 3ijr n GLY 55 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3ijr h ILE 56 N 0.00 1.17 -0.86 -0.61 2.04 -1.89 -2.60 117.51 114.75 3ijr h ILE 56 Ca 0.00 -0.34 0.07 0.00 1.00 0.00 0.00 64.86 65.59 3ijr h ILE 56 Cb 0.00 0.33 -0.06 0.00 -0.74 0.00 0.00 36.82 36.35 3ijr h ILE 56 CO 0.00 0.17 0.56 1.23 0.00 0.00 0.00 178.15 180.10 3ijr h GLY 57 N 0.80 1.22 0.95 5.37 0.00 -1.57 0.04 103.07 109.88 3ijr h GLY 57 Ca 0.21 -0.37 -0.04 0.00 0.00 0.00 0.00 47.33 47.13 3ijr h GLY 57 CO -0.04 0.26 0.12 -0.09 0.00 0.00 0.00 176.54 176.79 3ijr h ARG 58 N 0.92 0.68 -0.78 4.80 2.43 -1.05 0.54 114.38 121.91 3ijr h ARG 58 Ca 0.38 -0.15 -0.03 0.00 -0.81 0.00 0.00 59.98 59.36 3ijr h ARG 58 Cb 0.27 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.69 3ijr h ARG 58 CO -0.14 0.67 0.37 0.00 -1.51 0.00 0.00 179.97 179.35 3ijr h ALA 59 N 0.98 1.01 -0.35 2.80 0.00 -0.93 -1.93 119.26 120.84 3ijr h ALA 59 Ca 0.14 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.72 3ijr h ALA 59 Cb 0.29 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3ijr h ALA 59 CO -0.00 0.59 -0.42 0.28 0.00 0.00 0.00 179.25 179.70 3ijr h VAL 60 N 1.11 1.28 -0.32 0.00 2.07 -0.81 -1.42 116.25 118.16 3ijr h VAL 60 Ca 0.27 -1.59 0.01 0.00 0.82 0.00 0.00 66.70 66.21 3ijr h VAL 60 Cb 0.14 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 3ijr h VAL 60 CO -0.03 0.53 0.19 0.28 0.02 0.00 0.00 177.57 178.56 3ijr h SER 61 N 0.70 0.32 -0.05 0.57 0.02 -0.70 0.73 113.55 115.13 3ijr h SER 61 Ca 0.05 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 3ijr h SER 61 Cb 1.01 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 63.48 3ijr h SER 61 CO 0.10 0.23 0.01 0.40 -1.14 0.00 0.00 176.83 176.43 3ijr h ILE 62 N 0.39 1.21 -0.75 3.27 2.04 -1.32 -1.20 117.51 121.15 3ijr h ILE 62 Ca 0.12 -0.63 -0.02 0.00 1.00 0.00 0.00 64.86 65.34 3ijr h ILE 62 Cb -0.01 1.53 -0.04 0.00 -0.74 0.00 0.00 36.82 37.56 3ijr h ILE 62 CO -0.05 0.17 0.39 0.00 0.00 0.00 0.00 178.15 178.66 3ijr h ALA 63 N 0.77 1.29 -0.62 1.87 0.00 -1.13 0.32 119.26 121.76 3ijr h ALA 63 Ca 0.02 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 3ijr h ALA 63 Cb 0.27 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3ijr h ALA 63 CO 0.00 0.57 0.16 0.74 0.00 0.00 0.00 179.25 180.72 3ijr h PHE 64 N 1.04 1.00 -0.48 0.00 -1.00 -0.75 -1.81 116.94 114.94 3ijr h PHE 64 Ca 0.26 -0.10 -0.04 0.00 2.81 0.00 0.00 57.97 60.90 3ijr h PHE 64 Cb 0.05 -0.29 -0.02 0.00 3.61 0.00 0.00 35.95 39.30 3ijr h PHE 64 CO 0.01 0.82 0.14 0.00 -1.61 0.00 0.00 178.31 177.67 3ijr h ALA 65 N 1.24 0.63 0.00 2.45 0.00 0.04 -1.26 119.26 122.37 3ijr h ALA 65 Ca 0.20 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3ijr h ALA 65 Cb 0.32 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 3ijr h ALA 65 CO -0.00 0.29 -0.05 0.87 0.00 0.00 0.00 179.25 180.36 3ijr h LYS 66 N 0.64 0.00 -0.20 0.00 1.57 -0.59 0.36 116.57 118.35 3ijr h LYS 66 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 3ijr h LYS 66 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 3ijr h LYS 66 CO -0.00 0.05 0.00 0.39 -0.57 0.00 0.00 179.45 179.31 3ijr n GLU 67 N -3.98 1.65 -0.47 3.15 -0.58 -0.63 -4.40 120.64 115.38 3ijr n GLU 67 Ca -0.03 -1.00 0.00 0.00 -0.42 0.00 0.00 57.16 55.72 3ijr n GLU 67 Cb 0.13 -1.32 0.00 0.00 -0.57 0.00 0.00 31.44 29.68 3ijr n GLU 67 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ijr n GLY 68 N 1.04 0.74 3.87 0.62 0.00 0.12 -1.25 105.19 110.33 3ijr n GLY 68 Ca 0.14 -0.22 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 3ijr n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ijr s ALA 69 N -2.00 3.59 -0.05 4.61 0.00 -0.57 -1.20 121.76 126.14 3ijr s ALA 69 Ca 0.00 -0.28 -0.20 0.00 0.00 0.00 0.00 51.96 51.48 3ijr s ALA 69 Cb 0.00 -2.41 -0.05 0.00 0.00 0.00 0.00 23.12 20.66 3ijr s ALA 69 CO 0.00 0.52 0.55 -0.80 0.00 0.00 0.00 175.76 176.03 3ijr s ASN 70 N -2.27 6.86 -0.18 0.00 0.01 -0.10 -4.20 114.94 115.07 3ijr s ASN 70 Ca 0.45 1.03 0.00 0.00 -0.71 0.00 0.00 52.86 53.64 3ijr s ASN 70 Cb -0.12 -2.34 0.01 0.00 0.41 0.00 0.00 41.25 39.22 3ijr s ASN 70 CO 0.21 0.05 -0.17 -0.63 -1.51 0.00 0.00 177.10 175.06 3ijr s ILE 71 N 0.16 2.38 -0.27 0.60 -1.09 -0.10 -1.00 121.20 121.87 3ijr s ILE 71 Ca 0.30 -0.84 -0.13 0.00 -2.23 0.00 0.00 60.65 57.75 3ijr s ILE 71 Cb -0.17 -2.01 -0.04 0.00 -1.58 0.00 0.00 42.46 38.65 3ijr s ILE 71 CO 0.15 0.52 0.26 0.00 -1.23 0.00 0.00 174.94 174.63 3ijr s ALA 72 N 1.21 3.55 -0.27 9.38 0.00 0.60 -1.41 121.76 134.82 3ijr s ALA 72 Ca 0.02 -0.94 -0.05 0.00 0.00 0.00 0.00 51.96 51.00 3ijr s ALA 72 Cb -0.14 -2.55 0.01 0.00 0.00 0.00 0.00 23.12 20.45 3ijr s ALA 72 CO -0.08 -0.53 0.02 0.42 0.00 0.00 0.00 175.76 175.59 3ijr s ILE 73 N 1.75 3.56 0.08 0.00 1.01 0.63 -1.48 121.20 126.74 3ijr s ILE 73 Ca 0.11 -0.78 -0.06 0.00 0.00 0.00 0.00 60.65 59.92 3ijr s ILE 73 Cb -0.16 -2.81 -0.05 0.00 0.01 0.00 0.00 42.46 39.46 3ijr s ILE 73 CO 0.10 0.15 0.33 0.00 0.00 0.00 0.00 174.94 175.51 3ijr s ALA 74 N 1.44 3.82 0.14 9.38 0.00 -0.71 -0.29 121.76 135.54 3ijr s ALA 74 Ca 0.02 -0.56 -0.25 0.00 0.00 0.00 0.00 51.96 51.17 3ijr s ALA 74 Cb -0.17 -2.10 0.07 0.00 0.00 0.00 0.00 23.12 20.92 3ijr s ALA 74 CO -0.00 0.66 0.89 1.52 0.00 0.00 0.00 175.76 178.83 3ijr s TYR 75 N -1.47 -0.20 0.00 0.00 -0.85 -0.91 -0.18 117.35 113.73 3ijr s TYR 75 Ca 0.34 -0.08 0.00 0.00 -0.52 0.00 0.00 57.07 56.81 3ijr s TYR 75 Cb -0.13 0.63 0.00 0.00 0.38 0.00 0.00 41.96 42.84 3ijr s TYR 75 CO 0.21 -0.83 0.18 -0.11 -1.52 0.00 0.00 175.55 173.47 3ijr n LEU 76 N -0.42 0.82 0.00 -3.49 7.94 -1.26 -1.02 117.00 119.57 3ijr n LEU 76 Ca -0.07 0.43 0.00 0.00 -1.11 0.00 0.00 56.01 55.26 3ijr n LEU 76 Cb 0.61 -0.33 0.00 0.00 0.53 0.00 0.00 43.42 44.23 3ijr n LEU 76 CO 0.13 -0.33 0.11 -0.90 -1.11 0.00 0.00 177.39 175.29 3ijr n ASP 77 N -1.48 0.00 -3.96 1.96 5.68 -1.26 -1.90 116.55 115.59 3ijr n ASP 77 Ca 0.00 -1.00 -0.42 0.00 -0.50 0.00 0.00 54.79 52.87 3ijr n ASP 77 Cb 0.00 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 39.97 3ijr n ASP 77 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3ijr n GLU 78 N 0.00 2.82 -0.23 0.11 4.71 -1.26 -4.77 120.64 122.02 3ijr n GLU 78 Ca 0.00 -2.72 -0.04 0.00 -0.01 0.00 0.00 57.16 54.39 3ijr n GLU 78 Cb 0.49 -3.33 0.07 0.00 -1.01 0.00 0.00 31.44 27.66 3ijr n GLU 78 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 3ijr h GLU 79 N 6.61 0.77 -0.05 3.49 4.39 -1.99 -0.08 114.58 127.73 3ijr h GLU 79 Ca 0.52 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 60.18 3ijr h GLU 79 Cb 0.71 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 29.18 3ijr h GLU 79 CO 1.77 0.51 0.02 0.78 -1.16 0.00 0.00 179.01 180.93 3ijr h GLY 80 N 0.79 0.06 0.98 -3.84 0.00 -2.00 0.15 103.07 99.22 3ijr h GLY 80 Ca 0.27 -0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.57 3ijr h GLY 80 CO -0.11 0.01 -0.09 -0.55 0.00 0.00 0.00 176.54 175.80 3ijr h ASP 81 N 0.05 -0.22 -0.56 0.19 3.32 -1.80 -1.83 116.42 115.57 3ijr h ASP 81 Ca 0.02 -0.01 0.09 0.00 0.02 0.00 0.00 57.03 57.15 3ijr h ASP 81 Cb 0.00 0.06 -0.07 0.00 0.22 0.00 0.00 39.33 39.54 3ijr h ASP 81 CO -0.02 -0.14 0.17 0.00 -1.72 0.00 0.00 179.24 177.54 3ijr h ALA 82 N 0.51 0.68 -0.25 3.45 0.00 -0.84 -0.47 119.26 122.35 3ijr h ALA 82 Ca -0.03 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3ijr h ALA 82 Cb 0.22 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3ijr h ALA 82 CO 0.04 -0.25 0.16 -0.91 0.00 0.00 0.00 179.25 178.30 3ijr h ASN 83 N 0.33 0.29 -0.52 0.00 2.35 -0.77 0.14 115.58 117.41 3ijr h ASN 83 Ca 0.28 -0.02 0.09 0.00 -0.55 0.00 0.00 56.30 56.10 3ijr h ASN 83 Cb 0.36 -0.07 -0.07 0.00 0.05 0.00 0.00 38.32 38.59 3ijr h ASN 83 CO -0.32 0.22 0.12 -0.08 -1.65 0.00 0.00 177.43 175.73 3ijr h GLU 84 N 0.33 0.25 -0.78 0.81 4.81 -0.88 -0.03 114.58 119.10 3ijr h GLU 84 Ca 0.09 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.26 3ijr h GLU 84 Cb -0.02 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.26 3ijr h GLU 84 CO -0.02 0.17 0.30 1.15 -0.73 0.00 0.00 179.01 179.88 3ijr h THR 85 N 0.26 1.26 -0.93 0.32 2.02 -0.55 -2.05 112.91 113.23 3ijr h THR 85 Ca 0.26 -0.82 0.03 0.00 0.77 0.00 0.00 66.41 66.64 3ijr h THR 85 Cb 0.34 0.34 -0.05 0.00 -1.74 0.00 0.00 68.15 67.04 3ijr h THR 85 CO -0.32 0.34 0.61 0.50 0.37 0.00 0.00 175.52 177.01 3ijr h LYS 86 N 1.14 1.17 -0.17 6.66 3.64 0.15 -0.83 116.57 128.33 3ijr h LYS 86 Ca 0.26 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.56 3ijr h LYS 86 Cb 0.22 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 3ijr h LYS 86 CO -0.02 0.77 0.09 1.96 -2.27 0.00 0.00 179.45 179.98 3ijr h GLN 87 N 1.20 0.24 -0.83 1.90 1.08 -0.36 -1.07 115.11 117.28 3ijr h GLN 87 Ca 0.36 -0.03 -0.04 0.00 -1.45 0.00 0.00 58.65 57.50 3ijr h GLN 87 Cb -0.04 -0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 27.30 3ijr h GLN 87 CO -0.11 0.25 0.37 1.88 -0.95 0.00 0.00 178.83 180.27 3ijr h TYR 88 N 0.17 1.22 -0.02 2.96 0.05 -1.10 -1.35 116.97 118.90 3ijr h TYR 88 Ca 0.06 -0.07 -0.00 0.00 0.05 0.00 0.00 58.73 58.76 3ijr h TYR 88 Cb 0.08 -0.37 -0.00 0.00 1.01 0.00 0.00 36.73 37.45 3ijr h TYR 88 CO -0.04 0.90 0.00 0.28 -1.05 0.00 0.00 178.16 178.25 3ijr h VAL 89 N 1.19 1.22 0.00 -2.88 2.07 -0.95 -3.15 116.25 113.76 3ijr h VAL 89 Ca 0.28 -0.66 -0.05 0.00 0.82 0.00 0.00 66.70 67.10 3ijr h VAL 89 Cb 0.16 1.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 3ijr h VAL 89 CO -0.03 0.17 -0.22 -0.33 0.02 0.00 0.00 177.57 177.18 3ijr h GLU 90 N -0.23 0.00 0.00 1.57 5.08 -1.10 -1.94 114.58 117.96 3ijr h GLU 90 Ca 0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 3ijr h GLU 90 Cb 0.28 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 3ijr h GLU 90 CO 0.00 0.22 -0.04 -0.22 -1.00 0.00 0.00 179.01 177.98 3ijr h LYS 91 N 0.00 0.00 -0.01 2.33 3.64 -1.20 -1.01 116.57 120.32 3ijr h LYS 91 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3ijr h LYS 91 Cb 0.59 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 3ijr h LYS 91 CO 0.03 0.04 -0.02 0.39 -2.27 0.00 0.00 179.45 177.61 3ijr n GLU 92 N -3.34 1.33 -0.77 1.90 -0.58 -0.73 -4.93 120.64 113.52 3ijr n GLU 92 Ca -0.02 -0.56 0.00 0.00 -0.42 0.00 0.00 57.16 56.16 3ijr n GLU 92 Cb 0.17 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.55 3ijr n GLU 92 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ijr n GLY 93 N 1.13 0.53 3.66 0.62 0.00 -0.38 -4.88 105.19 105.87 3ijr n GLY 93 Ca 0.20 -0.75 -0.27 0.00 0.00 0.00 0.00 46.02 45.21 3ijr n GLY 93 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ijr s VAL 94 N -2.00 2.12 0.37 1.61 -7.23 -1.26 -5.07 120.40 108.94 3ijr s VAL 94 Ca 0.00 -1.90 -0.17 0.00 -1.81 0.00 0.00 61.98 58.10 3ijr s VAL 94 Cb 0.00 -2.99 -0.10 0.00 0.56 0.00 0.00 36.38 33.85 3ijr s VAL 94 CO 0.00 -0.01 0.83 -0.54 -0.31 0.00 0.00 175.10 175.08 3ijr s LYS 95 N -3.78 4.09 -0.03 4.82 1.02 -1.26 -4.22 119.74 120.38 3ijr s LYS 95 Ca 0.37 0.86 -0.01 0.00 0.02 0.00 0.00 55.97 57.21 3ijr s LYS 95 Cb 0.08 -2.32 0.03 0.00 -0.52 0.00 0.00 37.83 35.10 3ijr s LYS 95 CO 0.20 0.06 0.06 0.00 -0.92 0.00 0.00 175.35 174.75 3ijr s VAL 97 N 1.05 2.03 -0.22 0.00 1.01 -0.50 -5.00 120.40 118.77 3ijr s VAL 97 Ca -0.09 -1.01 -0.11 0.00 0.00 0.00 0.00 61.98 60.77 3ijr s VAL 97 Cb -0.12 -1.75 -0.05 0.00 0.00 0.00 0.00 36.38 34.46 3ijr s VAL 97 CO -0.04 0.56 0.19 -0.76 0.00 0.00 0.00 175.10 175.05 3ijr s LEU 98 N 0.28 4.16 -0.57 3.92 1.43 -1.26 -0.27 118.68 126.36 3ijr s LEU 98 Ca -0.17 0.22 0.04 0.00 -1.03 0.00 0.00 54.13 53.19 3ijr s LEU 98 Cb -0.17 -2.17 0.15 0.00 0.03 0.00 0.00 46.19 44.03 3ijr s LEU 98 CO 0.08 0.08 0.37 -0.76 0.23 0.00 0.00 176.35 176.35 3ijr s LEU 99 N 0.85 3.77 0.62 1.79 1.43 0.60 -4.95 118.68 122.79 3ijr s LEU 99 Ca 0.10 -3.29 -0.13 0.00 -1.03 0.00 0.00 54.13 49.77 3ijr s LEU 99 Cb -0.13 -1.34 -0.03 0.00 0.03 0.00 0.00 46.19 44.72 3ijr s LEU 99 CO 0.03 -0.17 1.04 -2.16 0.23 0.00 0.00 176.35 175.32 3ijr s PRO 100 N -0.60 3.41 0.00 1.29 0.04 -1.26 -2.14 135.00 135.74 3ijr s PRO 100 Ca 0.23 0.95 0.00 0.00 0.04 0.00 0.00 61.00 62.21 3ijr s PRO 100 Cb -0.12 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.36 3ijr s PRO 100 CO -0.10 -0.72 0.00 0.41 0.04 0.00 0.00 177.00 176.63 3ijr n GLY 101 N -1.93 4.31 3.56 0.56 0.00 -0.19 -4.88 105.19 106.62 3ijr n GLY 101 Ca 0.07 -1.43 -0.43 0.00 0.00 0.00 0.00 46.02 44.23 3ijr n GLY 101 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ijr s ASP 102 N 0.00 6.47 0.00 1.61 -1.08 -1.26 -4.03 116.67 118.38 3ijr s ASP 102 Ca 0.00 0.05 0.22 0.00 -0.52 0.00 0.00 52.55 52.30 3ijr s ASP 102 Cb 0.00 -2.45 1.33 0.00 -1.46 0.00 0.00 42.92 40.34 3ijr s ASP 102 CO 0.00 -1.10 1.78 0.18 0.52 0.00 0.00 175.17 176.55 3ijr n LEU 103 N 7.27 0.00 0.00 -1.34 4.77 -1.26 -2.58 117.00 123.86 3ijr n LEU 103 Ca 0.06 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.17 3ijr n LEU 103 Cb 0.48 0.00 0.65 0.00 -2.33 0.00 0.00 43.42 42.23 3ijr n LEU 103 CO 0.64 0.00 0.96 -1.54 -1.33 0.00 0.00 177.39 176.12 3ijr n SER 104 N -0.90 0.00 -4.57 -1.43 3.41 -1.26 -4.52 113.62 104.34 3ijr n SER 104 Ca 0.17 0.15 -0.40 0.00 -0.26 0.00 0.00 58.87 58.53 3ijr n SER 104 Cb 0.08 -0.38 -0.10 0.00 -0.26 0.00 0.00 64.21 63.55 3ijr n SER 104 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3ijr s ASP 105 N -2.76 6.17 0.24 4.04 2.15 -1.06 -4.92 116.67 120.53 3ijr s ASP 105 Ca 0.21 -0.01 -0.06 0.00 0.43 0.00 0.00 52.55 53.12 3ijr s ASP 105 Cb 0.18 -2.19 0.43 0.00 -0.30 0.00 0.00 42.92 41.04 3ijr s ASP 105 CO 0.46 -0.23 1.68 -0.08 -0.17 0.00 0.00 175.17 176.83 3ijr h GLU 106 N 8.34 0.23 -0.37 4.34 4.81 -1.89 -2.45 114.58 127.60 3ijr h GLU 106 Ca -0.31 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 3ijr h GLU 106 Cb 1.16 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.47 3ijr h GLU 106 CO 0.65 0.15 0.24 0.37 -0.73 0.00 0.00 179.01 179.69 3ijr h GLN 107 N 0.24 0.50 -0.60 1.92 5.75 -1.94 -1.93 115.11 119.05 3ijr h GLN 107 Ca 0.40 -0.04 0.04 0.00 -0.15 0.00 0.00 58.65 58.89 3ijr h GLN 107 Cb 0.67 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 29.07 3ijr h GLN 107 CO -0.51 0.36 0.40 1.25 -2.65 0.00 0.00 178.83 177.67 3ijr h HIS 108 N 0.50 0.67 -0.56 3.99 2.76 -1.73 0.80 115.15 121.56 3ijr h HIS 108 Ca 0.14 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.28 3ijr h HIS 108 Cb -0.03 -0.22 -0.03 0.00 1.55 0.00 0.00 27.41 28.69 3ijr h HIS 108 CO -0.04 0.39 0.18 0.00 -1.30 0.00 0.00 177.93 177.15 3ijr h LYS 110 N 0.82 0.88 -0.35 0.00 1.57 -0.74 -3.30 116.57 115.44 3ijr h LYS 110 Ca 0.19 -0.48 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 3ijr h LYS 110 Cb 0.24 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 3ijr h LYS 110 CO -0.01 1.13 0.22 -0.44 -0.57 0.00 0.00 179.45 179.78 3ijr h ASP 111 N 0.68 0.41 -0.64 0.86 3.32 -0.39 -2.81 116.42 117.86 3ijr h ASP 111 Ca 0.05 -0.03 0.02 0.00 0.02 0.00 0.00 57.03 57.09 3ijr h ASP 111 Cb 0.99 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.40 3ijr h ASP 111 CO 0.10 0.32 0.42 0.16 -1.72 0.00 0.00 179.24 178.52 3ijr h ILE 112 N 0.47 1.12 -0.04 0.35 3.07 -1.41 0.13 117.51 121.21 3ijr h ILE 112 Ca 0.13 -0.28 -0.01 0.00 1.55 0.00 0.00 64.86 66.25 3ijr h ILE 112 Cb -0.03 0.25 -0.00 0.00 -0.27 0.00 0.00 36.82 36.77 3ijr h ILE 112 CO -0.03 0.15 -0.02 0.58 -1.05 0.00 0.00 178.15 177.78 3ijr h VAL 113 N 0.80 1.35 -0.86 0.16 2.07 -1.63 0.26 116.25 118.41 3ijr h VAL 113 Ca 0.24 -1.07 -0.01 0.00 0.82 0.00 0.00 66.70 66.68 3ijr h VAL 113 Cb -0.01 1.99 -0.04 0.00 -1.52 0.00 0.00 31.29 31.71 3ijr h VAL 113 CO -0.06 0.29 0.49 -0.61 0.02 0.00 0.00 177.57 177.70 3ijr h GLN 114 N -0.33 1.18 -0.23 1.57 5.75 -1.19 -1.54 115.11 120.31 3ijr h GLN 114 Ca 0.01 -0.12 -0.04 0.00 -0.15 0.00 0.00 58.65 58.35 3ijr h GLN 114 Cb 0.48 -0.24 -0.01 0.00 1.07 0.00 0.00 27.48 28.78 3ijr h GLN 114 CO 0.01 0.84 -0.01 1.49 -2.65 0.00 0.00 178.83 178.51 3ijr h GLU 115 N 1.19 0.42 -0.57 1.69 4.57 -0.67 -1.86 114.58 119.34 3ijr h GLU 115 Ca 0.30 -0.14 0.06 0.00 -1.18 0.00 0.00 59.36 58.41 3ijr h GLU 115 Cb -0.01 -0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 28.49 3ijr h GLU 115 CO -0.05 0.60 0.27 1.15 -1.18 0.00 0.00 179.01 179.80 3ijr h THR 116 N 0.18 0.91 -0.66 0.32 2.02 -0.56 0.90 112.91 116.03 3ijr h THR 116 Ca 0.07 -0.18 -0.04 0.00 0.77 0.00 0.00 66.41 67.03 3ijr h THR 116 Cb 0.42 0.35 -0.03 0.00 -1.74 0.00 0.00 68.15 67.15 3ijr h THR 116 CO 0.01 0.09 0.24 0.58 0.37 0.00 0.00 175.52 176.82 3ijr h VAL 117 N 0.51 1.23 -0.09 3.16 2.07 -1.18 0.61 116.25 122.56 3ijr h VAL 117 Ca 0.26 -0.77 -0.21 0.00 0.82 0.00 0.00 66.70 66.80 3ijr h VAL 117 Cb 0.21 0.48 0.01 0.00 -1.52 0.00 0.00 31.29 30.47 3ijr h VAL 117 CO -0.20 0.30 -0.77 -0.09 0.02 0.00 0.00 177.57 176.83 3ijr h ARG 118 N 0.95 0.69 0.01 1.57 2.43 -0.45 0.60 114.38 120.19 3ijr h ARG 118 Ca 0.22 -0.62 -0.17 0.00 -0.81 0.00 0.00 59.98 58.61 3ijr h ARG 118 Cb 0.22 0.15 0.01 0.00 -0.42 0.00 0.00 29.97 29.93 3ijr h ARG 118 CO -0.02 1.22 -0.67 1.96 -1.51 0.00 0.00 179.97 180.96 3ijr h GLN 119 N 0.36 0.43 0.00 0.20 1.08 -0.77 -3.35 115.11 113.06 3ijr h GLN 119 Ca -0.07 -0.48 -0.16 0.00 -1.45 0.00 0.00 58.65 56.49 3ijr h GLN 119 Cb 1.42 0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 28.96 3ijr h GLN 119 CO 0.16 1.14 -1.33 -0.07 -0.95 0.00 0.00 178.83 177.77 3ijr h LEU 120 N -0.08 0.00 0.00 1.46 3.38 -0.99 -3.49 115.31 115.60 3ijr h LEU 120 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3ijr h LEU 120 Cb 1.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.13 3ijr h LEU 120 CO 0.13 0.58 0.00 0.61 0.09 0.00 0.00 178.44 179.85 3ijr n GLY 121 N 1.38 2.95 3.81 0.83 0.00 0.21 -5.00 105.19 109.37 3ijr n GLY 121 Ca -0.09 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.94 3ijr n GLY 121 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ijr s SER 122 N -1.32 -0.03 -0.05 1.61 1.04 -1.18 -4.87 113.70 108.90 3ijr s SER 122 Ca 0.00 -0.27 -0.00 0.00 0.48 0.00 0.00 55.95 56.16 3ijr s SER 122 Cb 0.00 0.24 0.03 0.00 0.10 0.00 0.00 66.02 66.38 3ijr s SER 122 CO 0.00 -0.46 0.00 -0.22 0.98 0.00 0.00 173.24 173.54 3ijr s LEU 123 N -3.35 0.86 -0.12 2.42 2.96 -1.26 -4.52 118.68 115.67 3ijr s LEU 123 Ca 0.21 -0.05 0.02 0.00 -0.22 0.00 0.00 54.13 54.09 3ijr s LEU 123 Cb 0.01 -0.32 -0.09 0.00 0.50 0.00 0.00 46.19 46.29 3ijr s LEU 123 CO -0.01 -0.14 -0.08 0.59 -1.32 0.00 0.00 176.35 175.39 3ijr n ASN 124 N 4.62 2.98 -3.94 3.68 4.13 0.54 -4.43 115.26 122.83 3ijr n ASN 124 Ca -0.16 -0.05 -0.22 0.00 1.68 0.00 0.00 54.58 55.83 3ijr n ASN 124 Cb 0.50 -0.00 -0.16 0.00 -1.54 0.00 0.00 39.78 38.58 3ijr n ASN 124 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3ijr s ILE 125 N -2.24 0.77 -0.16 2.41 1.01 -0.91 -1.32 121.20 120.77 3ijr s ILE 125 Ca -0.14 -0.26 -0.00 0.00 0.00 0.00 0.00 60.65 60.25 3ijr s ILE 125 Cb 0.04 -0.75 -0.01 0.00 0.01 0.00 0.00 42.46 41.75 3ijr s ILE 125 CO 0.30 0.28 -0.13 -0.22 0.00 0.00 0.00 174.94 175.17 3ijr s LEU 126 N 0.83 2.61 -0.35 2.97 2.96 -0.27 -1.48 118.68 125.95 3ijr s LEU 126 Ca -0.12 -0.41 -0.01 0.00 -0.22 0.00 0.00 54.13 53.36 3ijr s LEU 126 Cb -0.15 -1.60 0.08 0.00 0.50 0.00 0.00 46.19 45.02 3ijr s LEU 126 CO 0.01 0.10 0.09 -0.69 -1.32 0.00 0.00 176.35 174.54 3ijr s VAL 127 N 0.75 2.97 -0.35 1.68 1.01 0.63 -0.58 120.40 126.52 3ijr s VAL 127 Ca -0.05 -1.83 -0.27 0.00 0.00 0.00 0.00 61.98 59.83 3ijr s VAL 127 Cb -0.15 -2.92 0.02 0.00 0.00 0.00 0.00 36.38 33.32 3ijr s VAL 127 CO 0.01 -0.43 0.99 0.20 0.00 0.00 0.00 175.10 175.87 3ijr s ASN 128 N 1.43 6.79 0.00 3.32 0.01 -0.10 -1.11 114.94 125.28 3ijr s ASN 128 Ca 0.03 0.79 0.00 0.00 -0.71 0.00 0.00 52.86 52.97 3ijr s ASN 128 Cb -0.21 -2.50 0.00 0.00 0.41 0.00 0.00 41.25 38.95 3ijr s ASN 128 CO -0.04 -0.86 0.00 -3.20 -1.51 0.00 0.00 177.10 171.49 3ijr n ASN 129 N 6.82 0.00 -4.76 -1.22 2.85 -1.12 -0.91 115.26 116.92 3ijr n ASN 129 Ca 0.09 -0.81 -0.34 0.00 -0.11 0.00 0.00 54.58 53.41 3ijr n ASN 129 Cb 0.48 0.00 0.04 0.00 1.24 0.00 0.00 39.78 41.54 3ijr n ASN 129 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 3ijr s VAL 130 N 0.00 3.08 -0.17 3.44 -7.23 -1.09 -4.79 120.40 113.65 3ijr s VAL 130 Ca 0.00 0.54 -0.32 0.00 -1.81 0.00 0.00 61.98 60.39 3ijr s VAL 130 Cb 0.00 -3.09 0.14 0.00 0.56 0.00 0.00 36.38 33.98 3ijr s VAL 130 CO 0.00 -0.27 1.14 0.00 -0.31 0.00 0.00 175.10 175.66 3ijr s ALA 131 N -2.14 -2.01 0.06 1.32 0.00 -1.26 -4.70 121.76 113.02 3ijr s ALA 131 Ca 0.70 1.54 0.02 0.00 0.00 0.00 0.00 51.96 54.21 3ijr s ALA 131 Cb -0.23 -0.31 -0.03 0.00 0.00 0.00 0.00 23.12 22.56 3ijr s ALA 131 CO 0.39 -0.52 -0.08 -0.65 0.00 0.00 0.00 175.76 174.90 3ijr s GLN 132 N -2.14 0.64 -0.08 0.00 -0.21 -1.26 -5.00 119.66 111.62 3ijr s GLN 132 Ca 0.07 -0.95 -0.05 0.00 0.02 0.00 0.00 55.36 54.44 3ijr s GLN 132 Cb -0.01 -0.29 0.03 0.00 1.00 0.00 0.00 33.01 33.74 3ijr s GLN 132 CO -0.05 0.03 0.19 1.14 -2.12 0.00 0.00 175.29 174.49 3ijr s GLN 133 N -2.31 0.19 -0.41 2.91 -2.07 -1.26 -4.92 119.66 111.80 3ijr s GLN 133 Ca -0.03 0.34 0.02 0.00 -1.82 0.00 0.00 55.36 53.88 3ijr s GLN 133 Cb -0.05 -0.00 0.12 0.00 -1.09 0.00 0.00 33.01 31.99 3ijr s GLN 133 CO -0.01 -0.09 0.19 0.71 -1.32 0.00 0.00 175.29 174.78 3ijr s TYR 134 N 0.58 2.13 0.46 9.60 2.02 -1.26 -4.74 117.35 126.13 3ijr s TYR 134 Ca -0.04 -2.36 -0.24 0.00 -0.37 0.00 0.00 57.07 54.06 3ijr s TYR 134 Cb -0.05 -1.99 -0.08 0.00 -0.40 0.00 0.00 41.96 39.44 3ijr s TYR 134 CO -0.03 -0.81 1.32 -2.30 -1.57 0.00 0.00 175.55 172.15 3ijr n PRO 135 N 3.87 1.93 -3.87 -1.71 -0.02 -1.26 -4.90 135.00 129.03 3ijr n PRO 135 Ca 0.06 0.69 -0.11 0.00 -2.02 0.00 0.00 63.50 62.11 3ijr n PRO 135 Cb 0.37 -2.48 -0.11 0.00 -0.02 0.00 0.00 33.50 31.26 3ijr n PRO 135 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3ijr s GLN 136 N -2.43 0.33 0.00 -0.52 -1.52 -0.24 -5.03 119.66 110.25 3ijr s GLN 136 Ca 0.64 -0.20 0.11 0.00 -1.95 0.00 0.00 55.36 53.96 3ijr s GLN 136 Cb -0.47 0.14 0.49 0.00 -0.22 0.00 0.00 33.01 32.95 3ijr s GLN 136 CO 0.56 -0.07 1.36 0.00 -0.25 0.00 0.00 175.29 176.89 3ijr n GLN 137 N 2.09 0.01 -3.61 2.91 10.64 -1.26 -4.38 117.38 123.78 3ijr n GLN 137 Ca -0.19 0.30 -0.01 0.00 -1.83 0.00 0.00 57.00 55.27 3ijr n GLN 137 Cb 0.57 -1.50 -0.01 0.00 -0.86 0.00 0.00 30.24 28.44 3ijr n GLN 137 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.06 175.43 3ijr s GLY 138 N -2.97 -0.36 0.40 2.61 0.00 -1.26 -4.94 107.32 100.80 3ijr s GLY 138 Ca 0.06 1.02 0.09 0.00 0.00 0.00 0.00 44.72 45.88 3ijr s GLY 138 CO 0.20 0.28 1.98 -2.00 0.00 0.00 0.00 173.10 173.56 3ijr h LEU 139 N 2.00 0.33 0.00 0.66 5.85 -1.89 -2.11 115.31 120.15 3ijr h LEU 139 Ca -0.22 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.46 3ijr h LEU 139 Cb 1.19 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.14 3ijr h LEU 139 CO 0.26 0.36 0.00 -1.84 -0.34 0.00 0.00 178.44 176.88 3ijr n GLU 140 N -4.37 0.01 -0.31 1.25 0.00 -1.26 -1.77 120.64 114.19 3ijr n GLU 140 Ca 0.01 0.35 0.11 0.00 0.00 0.00 0.00 57.16 57.62 3ijr n GLU 140 Cb 0.18 -1.50 0.28 0.00 0.00 0.00 0.00 31.44 30.40 3ijr n GLU 140 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 3ijr n TYR 141 N -1.48 0.82 -3.46 -1.84 4.02 -0.79 -4.85 117.16 109.58 3ijr n TYR 141 Ca 0.02 -0.45 -0.43 0.00 -0.01 0.00 0.00 57.90 57.03 3ijr n TYR 141 Cb 0.09 -0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.32 3ijr n TYR 141 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 3ijr s ILE 142 N -1.08 5.10 0.64 -0.72 1.01 -0.73 -4.97 121.20 120.45 3ijr s ILE 142 Ca 0.44 -0.88 -0.12 0.00 0.00 0.00 0.00 60.65 60.09 3ijr s ILE 142 Cb 0.23 -3.93 -0.02 0.00 0.01 0.00 0.00 42.46 38.75 3ijr s ILE 142 CO 0.31 -0.41 1.04 0.42 0.00 0.00 0.00 174.94 176.30 3ijr s THR 143 N 1.63 4.33 0.28 2.92 -4.23 -1.26 -4.87 115.64 114.44 3ijr s THR 143 Ca 0.04 0.82 0.00 0.00 -1.18 0.00 0.00 61.69 61.37 3ijr s THR 143 Cb -0.21 -3.62 0.27 0.00 1.34 0.00 0.00 72.50 70.28 3ijr s THR 143 CO 0.08 -0.93 1.84 0.00 -0.54 0.00 0.00 174.62 175.07 3ijr h ALA 144 N -0.29 1.46 0.20 3.99 0.00 -1.99 -0.11 119.26 122.51 3ijr h ALA 144 Ca -0.44 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.49 3ijr h ALA 144 Cb 1.20 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 3ijr h ALA 144 CO 0.59 0.24 -0.30 1.49 0.00 0.00 0.00 179.25 181.27 3ijr h GLU 145 N 1.00 -0.55 -0.70 0.00 4.81 -2.00 -1.36 114.58 115.77 3ijr h GLU 145 Ca 0.48 0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.72 3ijr h GLU 145 Cb 0.43 0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.91 3ijr h GLU 145 CO -0.25 -0.37 0.34 0.37 -0.73 0.00 0.00 179.01 178.37 3ijr h GLN 146 N -0.57 1.00 0.34 1.92 4.15 -1.80 -1.63 115.11 118.52 3ijr h GLN 146 Ca 0.01 -0.14 0.00 0.00 0.77 0.00 0.00 58.65 59.29 3ijr h GLN 146 Cb 0.57 -0.18 -0.03 0.00 0.21 0.00 0.00 27.48 28.05 3ijr h GLN 146 CO -0.13 0.79 -0.39 1.25 -1.93 0.00 0.00 178.83 178.41 3ijr h LEU 147 N 0.97 -1.09 -0.76 -2.39 5.85 -0.77 -0.94 115.31 116.18 3ijr h LEU 147 Ca 0.24 0.10 -0.04 0.00 0.84 0.00 0.00 57.88 59.02 3ijr h LEU 147 Cb 0.11 0.37 -0.03 0.00 0.37 0.00 0.00 40.66 41.48 3ijr h LEU 147 CO -0.03 -0.53 0.32 -0.33 -0.34 0.00 0.00 178.44 177.53 3ijr h GLU 148 N -0.77 1.12 -0.39 1.25 5.08 -1.16 -1.61 114.58 118.10 3ijr h GLU 148 Ca -0.02 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 3ijr h GLU 148 Cb 0.71 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 3ijr h GLU 148 CO -0.10 0.90 0.23 -0.22 -1.00 0.00 0.00 179.01 178.82 3ijr h LYS 149 N 1.08 0.54 -0.23 2.33 3.64 -1.19 0.15 116.57 122.90 3ijr h LYS 149 Ca 0.25 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 3ijr h LYS 149 Cb 0.19 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 3ijr h LYS 149 CO -0.02 0.42 0.15 1.15 -2.27 0.00 0.00 179.45 178.88 3ijr h THR 150 N 0.51 1.06 -0.56 1.00 2.02 -0.90 -2.51 112.91 113.53 3ijr h THR 150 Ca 0.14 -0.12 -0.07 0.00 0.77 0.00 0.00 66.41 67.13 3ijr h THR 150 Cb 0.03 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.15 3ijr h THR 150 CO -0.02 0.06 0.08 -0.26 0.37 0.00 0.00 175.52 175.74 3ijr h PHE 151 N 0.31 1.00 -0.64 3.16 -1.00 -1.12 -0.78 116.94 117.87 3ijr h PHE 151 Ca 0.08 -0.15 0.05 0.00 2.81 0.00 0.00 57.97 60.77 3ijr h PHE 151 Cb -0.03 -0.27 -0.05 0.00 3.61 0.00 0.00 35.95 39.21 3ijr h PHE 151 CO -0.06 0.89 0.37 -0.09 -1.61 0.00 0.00 178.31 177.81 3ijr h ARG 152 N 0.83 0.68 0.14 1.51 2.43 -0.46 -0.77 114.38 118.73 3ijr h ARG 152 Ca 0.17 -0.04 -0.33 0.00 -0.81 0.00 0.00 59.98 58.97 3ijr h ARG 152 Cb 0.43 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 3ijr h ARG 152 CO 0.01 0.45 -1.68 0.97 -1.51 0.00 0.00 179.97 178.22 3ijr h ILE 153 N 0.70 0.99 0.04 1.20 6.09 -1.47 -2.11 117.51 122.96 3ijr h ILE 153 Ca 0.28 -2.64 -0.23 0.00 -1.37 0.00 0.00 64.86 60.90 3ijr h ILE 153 Cb 0.12 2.71 -0.00 0.00 0.47 0.00 0.00 36.82 40.12 3ijr h ILE 153 CO -0.15 0.82 -1.03 0.78 -3.07 0.00 0.00 178.15 175.50 3ijr h ASN 154 N 0.08 0.41 0.00 2.19 4.21 -1.05 -3.36 115.58 118.06 3ijr h ASN 154 Ca -0.30 -0.37 0.00 0.00 1.21 0.00 0.00 56.30 56.84 3ijr h ASN 154 Cb 2.05 -0.13 0.00 0.00 -1.12 0.00 0.00 38.32 39.12 3ijr h ASN 154 CO 0.15 1.21 -0.79 0.00 -1.29 0.00 0.00 177.43 176.71 3ijr n ILE 155 N -3.64 0.00 -0.35 2.81 0.13 -0.43 -4.59 119.36 113.28 3ijr n ILE 155 Ca -0.06 0.00 0.01 0.00 -1.10 0.00 0.00 62.75 61.59 3ijr n ILE 155 Cb 0.89 -0.67 0.16 0.00 -0.84 0.00 0.00 39.64 39.19 3ijr n ILE 155 CO 0.00 0.00 0.00 -0.26 2.80 0.00 0.00 176.55 179.09 3ijr h PHE 156 N 0.00 1.19 -0.88 9.51 0.04 -1.19 -1.60 116.94 124.01 3ijr h PHE 156 Ca 0.00 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.80 3ijr h PHE 156 Cb 0.79 -0.40 -0.04 0.00 2.20 0.00 0.00 35.95 38.50 3ijr h PHE 156 CO 0.00 0.69 0.57 0.66 -0.60 0.00 0.00 178.31 179.62 3ijr h SER 157 N 1.23 1.03 -0.60 2.17 4.64 -1.53 -0.66 113.55 119.82 3ijr h SER 157 Ca 0.39 -0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.67 3ijr h SER 157 Cb 0.02 -0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 61.82 3ijr h SER 157 CO -0.12 0.76 0.36 1.88 -0.87 0.00 0.00 176.83 178.83 3ijr h TYR 158 N 1.20 0.80 0.11 4.77 -1.99 -1.57 -0.73 116.97 119.57 3ijr h TYR 158 Ca 0.32 -0.01 0.01 0.00 2.00 0.00 0.00 58.73 61.05 3ijr h TYR 158 Cb -0.11 -0.26 -0.01 0.00 2.00 0.00 0.00 36.73 38.34 3ijr h TYR 158 CO 0.00 0.56 -0.13 0.74 -0.00 0.00 0.00 178.16 179.33 3ijr h PHE 159 N 0.82 -0.34 -0.24 4.88 0.04 -0.53 -2.31 116.94 119.26 3ijr h PHE 159 Ca 0.22 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.91 3ijr h PHE 159 Cb -0.01 0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.28 3ijr h PHE 159 CO -0.02 -0.20 -0.17 0.45 -0.60 0.00 0.00 178.31 177.77 3ijr h HIS 160 N -0.28 0.63 -0.13 -0.55 3.86 -0.92 0.20 115.15 117.95 3ijr h HIS 160 Ca 0.01 -0.17 -0.01 0.00 -1.16 0.00 0.00 60.37 59.04 3ijr h HIS 160 Cb 0.28 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.61 3ijr h HIS 160 CO -0.14 0.84 0.05 0.28 0.86 0.00 0.00 177.93 179.82 3ijr h VAL 161 N 0.25 1.17 -0.46 2.45 2.07 -1.22 -1.67 116.25 118.83 3ijr h VAL 161 Ca 0.05 -0.53 -0.01 0.00 0.82 0.00 0.00 66.70 67.03 3ijr h VAL 161 Cb 0.70 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 3ijr h VAL 161 CO 0.05 0.16 0.26 0.74 0.02 0.00 0.00 177.57 178.80 3ijr h THR 162 N 0.04 1.16 -0.25 2.57 2.02 -1.44 -0.21 112.91 116.80 3ijr h THR 162 Ca 0.04 -0.38 0.06 0.00 0.77 0.00 0.00 66.41 66.90 3ijr h THR 162 Cb 0.21 0.57 -0.06 0.00 -1.74 0.00 0.00 68.15 67.13 3ijr h THR 162 CO -0.00 0.16 -0.11 0.50 0.37 0.00 0.00 175.52 176.44 3ijr h LYS 163 N 0.61 -0.07 -0.15 6.66 3.64 -0.85 -1.92 116.57 124.49 3ijr h LYS 163 Ca 0.16 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.47 3ijr h LYS 163 Cb 0.03 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 3ijr h LYS 163 CO -0.03 -0.05 -0.24 0.00 -2.27 0.00 0.00 179.45 176.86 3ijr h ALA 164 N 1.14 1.32 -0.02 5.00 0.00 -1.00 -2.87 119.26 122.82 3ijr h ALA 164 Ca 0.13 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 3ijr h ALA 164 Cb 0.28 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3ijr h ALA 164 CO -0.30 0.46 -0.37 0.00 0.00 0.00 0.00 179.25 179.04 3ijr h ALA 165 N 1.51 1.33 -0.86 0.00 0.00 -0.30 -3.29 119.26 117.66 3ijr h ALA 165 Ca 0.04 -0.35 0.20 0.00 0.00 0.00 0.00 54.91 54.80 3ijr h ALA 165 Cb 0.56 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 3ijr h ALA 165 CO 0.04 0.49 0.58 -0.07 0.00 0.00 0.00 179.25 180.29 3ijr h LEU 166 N 0.04 0.34 0.00 0.00 3.38 -1.14 0.97 115.31 118.90 3ijr h LEU 166 Ca 0.00 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3ijr h LEU 166 Cb 0.68 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.40 3ijr h LEU 166 CO 0.05 0.14 0.00 -1.54 0.09 0.00 0.00 178.44 177.18 3ijr n SER 167 N -4.47 0.00 -0.00 -0.43 3.41 -1.24 -3.11 113.62 107.78 3ijr n SER 167 Ca 0.18 -0.92 0.00 0.00 -0.26 0.00 0.00 58.87 57.87 3ijr n SER 167 Cb 0.70 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.65 3ijr n SER 167 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3ijr n HIS 168 N -0.94 0.00 -2.85 7.33 8.25 0.29 -5.04 115.22 122.26 3ijr n HIS 168 Ca 0.17 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.27 3ijr n HIS 168 Cb 0.08 -0.01 -0.06 0.00 1.12 0.00 0.00 29.99 31.12 3ijr n HIS 168 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3ijr s LEU 169 N -2.95 4.27 0.33 2.41 1.43 -0.91 -4.61 118.68 118.65 3ijr s LEU 169 Ca -0.00 1.72 0.07 0.00 -1.03 0.00 0.00 54.13 54.89 3ijr s LEU 169 Cb 0.00 -4.02 -0.03 0.00 0.03 0.00 0.00 46.19 42.17 3ijr s LEU 169 CO 0.01 -0.10 0.26 -0.54 0.23 0.00 0.00 176.35 176.21 3ijr s LYS 170 N -2.23 1.74 -0.08 1.70 1.02 -1.26 -4.97 119.74 115.65 3ijr s LYS 170 Ca 0.51 -2.01 -0.39 0.00 0.02 0.00 0.00 55.97 54.10 3ijr s LYS 170 Cb -0.17 0.26 -0.17 0.00 -0.52 0.00 0.00 37.83 37.23 3ijr s LYS 170 CO 0.21 -0.62 1.44 0.94 -0.92 0.00 0.00 175.35 176.40 3ijr n GLN 171 N -0.62 0.89 -0.20 1.68 7.27 -1.23 0.16 117.38 125.33 3ijr n GLN 171 Ca 0.06 0.32 0.00 0.00 0.07 0.00 0.00 57.00 57.46 3ijr n GLN 171 Cb 0.63 -1.94 0.00 0.00 2.41 0.00 0.00 30.24 31.33 3ijr n GLN 171 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3ijr n GLY 172 N 2.98 0.89 3.92 1.69 0.00 0.59 -5.00 105.19 110.25 3ijr n GLY 172 Ca 0.22 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.97 3ijr n GLY 172 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ijr s ASP 173 N -2.88 4.73 -0.03 1.61 1.01 0.12 -4.95 116.67 116.29 3ijr s ASP 173 Ca 0.00 0.54 -0.07 0.00 0.71 0.00 0.00 52.55 53.72 3ijr s ASP 173 Cb 0.00 -1.14 0.01 0.00 1.01 0.00 0.00 42.92 42.80 3ijr s ASP 173 CO 0.00 -1.68 0.17 -0.69 0.21 0.00 0.00 175.17 173.18 3ijr s VAL 174 N -3.33 0.04 -0.05 -1.27 1.01 -0.43 -2.40 120.40 113.97 3ijr s VAL 174 Ca 0.61 -0.34 0.05 0.00 0.00 0.00 0.00 61.98 62.29 3ijr s VAL 174 Cb -0.11 -0.36 -0.00 0.00 0.00 0.00 0.00 36.38 35.91 3ijr s VAL 174 CO 0.46 -0.19 -0.19 -0.63 0.00 0.00 0.00 175.10 174.55 3ijr s ILE 175 N -0.66 1.62 -0.06 2.22 1.01 -0.15 -1.11 121.20 124.07 3ijr s ILE 175 Ca -0.07 -0.82 0.03 0.00 0.00 0.00 0.00 60.65 59.79 3ijr s ILE 175 Cb -0.04 -1.39 0.01 0.00 0.01 0.00 0.00 42.46 41.04 3ijr s ILE 175 CO 0.01 0.46 -0.15 -0.63 0.00 0.00 0.00 174.94 174.63 3ijr s ILE 176 N 0.03 1.32 -0.13 2.92 1.01 0.26 -1.84 121.20 124.78 3ijr s ILE 176 Ca -0.05 -0.61 0.01 0.00 0.00 0.00 0.00 60.65 60.00 3ijr s ILE 176 Cb -0.13 -1.17 -0.01 0.00 0.01 0.00 0.00 42.46 41.16 3ijr s ILE 176 CO 0.03 0.39 -0.16 0.20 0.00 0.00 0.00 174.94 175.40 3ijr s ASN 177 N 0.43 3.73 -0.30 3.58 0.01 -0.44 -0.93 114.94 121.02 3ijr s ASN 177 Ca -0.12 -0.41 -0.25 0.00 -0.71 0.00 0.00 52.86 51.38 3ijr s ASN 177 Cb -0.15 -1.55 0.01 0.00 0.41 0.00 0.00 41.25 39.97 3ijr s ASN 177 CO 0.04 0.15 0.88 -0.89 -1.51 0.00 0.00 177.10 175.77 3ijr s THR 178 N 0.42 4.71 0.00 1.60 2.01 -0.08 -2.04 115.64 122.26 3ijr s THR 178 Ca -0.12 1.39 0.00 0.00 0.31 0.00 0.00 61.69 63.27 3ijr s THR 178 Cb -0.16 -4.23 0.00 0.00 0.01 0.00 0.00 72.50 68.12 3ijr s THR 178 CO 0.06 -0.30 0.00 0.00 -0.69 0.00 0.00 174.62 173.69 3ijr n ALA 179 N 6.38 0.00 -3.58 7.40 0.00 0.12 -4.88 120.51 125.95 3ijr n ALA 179 Ca 0.06 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.42 3ijr n ALA 179 Cb 0.48 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.89 3ijr n ALA 179 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3ijr s SER 180 N -0.88 -0.28 0.46 0.00 0.15 -1.26 -4.41 113.70 107.49 3ijr s SER 180 Ca 0.00 0.24 0.19 0.00 0.70 0.00 0.00 55.95 57.08 3ijr s SER 180 Cb 0.00 0.24 1.17 0.00 -1.71 0.00 0.00 66.02 65.72 3ijr s SER 180 CO 0.00 -0.30 1.93 -0.29 1.20 0.00 0.00 173.24 175.77 3ijr h ILE 181 N 2.33 0.75 0.00 6.45 2.10 -1.51 -2.10 117.51 125.52 3ijr h ILE 181 Ca -0.16 -0.10 -0.00 0.00 1.08 0.00 0.00 64.86 65.69 3ijr h ILE 181 Cb 1.18 0.44 -0.00 0.00 -1.09 0.00 0.00 36.82 37.34 3ijr h ILE 181 CO 0.28 0.05 -0.00 -0.37 -1.08 0.00 0.00 178.15 177.03 3ijr h VAL 182 N 0.28 0.09 0.00 2.19 -1.51 -1.84 0.79 116.25 116.25 3ijr h VAL 182 Ca 0.36 -0.05 -0.09 0.00 -1.23 0.00 0.00 66.70 65.69 3ijr h VAL 182 Cb 0.99 1.04 -0.01 0.00 -2.13 0.00 0.00 31.29 31.18 3ijr h VAL 182 CO -0.09 0.00 -0.43 0.00 -1.23 0.00 0.00 177.57 175.82 3ijr h ALA 183 N 2.00 1.24 0.08 5.19 0.00 -1.61 0.13 119.26 126.29 3ijr h ALA 183 Ca -0.00 -0.39 -0.36 0.00 0.00 0.00 0.00 54.91 54.16 3ijr h ALA 183 Cb 0.04 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3ijr h ALA 183 CO 0.00 0.54 -2.09 0.66 0.00 0.00 0.00 179.25 178.35 3ijr n TYR 184 N -3.95 0.90 0.35 0.00 4.01 0.12 -4.56 117.16 114.03 3ijr n TYR 184 Ca -0.02 0.21 0.08 0.00 -0.16 0.00 0.00 57.90 58.01 3ijr n TYR 184 Cb 0.46 -1.12 -0.12 0.00 -0.31 0.00 0.00 39.34 38.25 3ijr n TYR 184 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3ijr n GLU 185 N -3.35 0.92 -0.28 -0.72 -0.58 -0.34 -5.08 120.64 111.21 3ijr n GLU 185 Ca -0.33 -0.09 0.04 0.00 -0.42 0.00 0.00 57.16 56.35 3ijr n GLU 185 Cb 1.04 -1.36 -0.02 0.00 -0.57 0.00 0.00 31.44 30.53 3ijr n GLU 185 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ijr n GLY 186 N 1.46 -2.39 3.04 0.62 0.00 0.44 -5.00 105.19 103.37 3ijr n GLY 186 Ca -0.00 -1.40 -0.02 0.00 0.00 0.00 0.00 46.02 44.60 3ijr n GLY 186 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3ijr s ASN 187 N -5.08 -0.66 0.44 1.61 3.84 -1.26 -4.72 114.94 109.11 3ijr s ASN 187 Ca 0.00 0.54 0.30 0.00 0.21 0.00 0.00 52.86 53.91 3ijr s ASN 187 Cb 0.00 1.69 1.60 0.00 -0.55 0.00 0.00 41.25 44.00 3ijr s ASN 187 CO 0.00 -0.28 1.92 1.05 -2.79 0.00 0.00 177.10 176.99 3ijr h GLU 188 N 8.08 0.00 -0.19 0.43 4.11 -1.97 -1.87 114.58 123.17 3ijr h GLU 188 Ca -0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.23 3ijr h GLU 188 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 3ijr h GLU 188 CO 0.26 0.00 0.00 0.25 0.07 0.00 0.00 179.01 179.59 3ijr n THR 189 N -2.56 0.47 -3.09 -1.06 -2.24 -1.26 -4.60 114.28 99.95 3ijr n THR 189 Ca -0.02 -0.74 -0.16 0.00 -2.27 0.00 0.00 64.05 60.86 3ijr n THR 189 Cb 0.06 0.90 -0.02 0.00 -2.10 0.00 0.00 70.33 69.17 3ijr n THR 189 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3ijr n LEU 190 N 0.64 0.96 -0.05 3.22 4.77 -0.71 -1.08 117.00 124.75 3ijr n LEU 190 Ca 0.10 -4.76 -0.12 0.00 -0.03 0.00 0.00 56.01 51.20 3ijr n LEU 190 Cb 0.37 0.66 -0.06 0.00 -2.33 0.00 0.00 43.42 42.06 3ijr n LEU 190 CO 0.08 2.15 0.77 0.40 -1.33 0.00 0.00 177.39 179.46 3ijr h ILE 191 N 1.40 1.23 -0.25 -0.08 2.04 -1.80 0.70 117.51 120.75 3ijr h ILE 191 Ca 0.06 -0.76 -0.07 0.00 1.00 0.00 0.00 64.86 65.09 3ijr h ILE 191 Cb 1.01 1.43 -0.01 0.00 -0.74 0.00 0.00 36.82 38.51 3ijr h ILE 191 CO 0.50 0.23 -0.13 -2.24 0.00 0.00 0.00 178.15 176.51 3ijr h ASP 192 N 0.04 0.54 -0.36 1.72 2.03 -1.93 -1.92 116.42 116.54 3ijr h ASP 192 Ca 0.05 -0.41 0.04 0.00 -0.73 0.00 0.00 57.03 55.97 3ijr h ASP 192 Cb 0.33 -0.15 -0.04 0.00 -0.83 0.00 0.00 39.33 38.64 3ijr h ASP 192 CO 0.00 0.84 0.15 0.22 -1.03 0.00 0.00 179.24 179.42 3ijr h TYR 193 N 0.25 0.27 -0.79 4.15 3.20 -1.92 -1.47 116.97 120.65 3ijr h TYR 193 Ca 0.05 0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.01 3ijr h TYR 193 Cb 0.64 -0.07 -0.06 0.00 1.54 0.00 0.00 36.73 38.78 3ijr h TYR 193 CO 0.06 0.13 0.47 0.66 -1.64 0.00 0.00 178.16 177.84 3ijr h SER 194 N 0.32 0.72 -0.94 -2.11 4.64 -0.77 -0.86 113.55 114.54 3ijr h SER 194 Ca 0.16 0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.50 3ijr h SER 194 Cb 0.11 -0.12 -0.05 0.00 -0.31 0.00 0.00 62.40 62.04 3ijr h SER 194 CO -0.15 0.46 0.56 0.00 -0.87 0.00 0.00 176.83 176.83 3ijr h ALA 195 N 1.39 1.21 -0.23 5.18 0.00 -0.87 0.68 119.26 126.62 3ijr h ALA 195 Ca 0.35 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 55.07 3ijr h ALA 195 Cb 0.21 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3ijr h ALA 195 CO -0.19 0.67 -0.23 1.79 0.00 0.00 0.00 179.25 181.29 3ijr h THR 196 N 1.31 1.25 -0.15 0.00 1.35 -0.15 -1.40 112.91 115.12 3ijr h THR 196 Ca 0.34 -1.20 -0.17 0.00 -0.55 0.00 0.00 66.41 64.83 3ijr h THR 196 Cb -0.04 1.33 -0.00 0.00 -1.73 0.00 0.00 68.15 67.71 3ijr h THR 196 CO -0.06 0.38 -0.63 0.11 -0.25 0.00 0.00 175.52 175.07 3ijr h LYS 197 N 0.39 0.52 -0.77 4.72 1.79 -0.34 -1.26 116.57 121.61 3ijr h LYS 197 Ca 0.06 -0.36 -0.04 0.00 -2.18 0.00 0.00 60.65 58.13 3ijr h LYS 197 Cb 0.62 0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 31.29 3ijr h LYS 197 CO 0.04 0.98 0.34 0.78 -1.08 0.00 0.00 179.45 180.52 3ijr h GLY 198 N 1.10 1.22 1.01 3.86 0.00 -0.70 -1.59 103.07 107.97 3ijr h GLY 198 Ca -0.01 -0.63 0.01 0.00 0.00 0.00 0.00 47.33 46.70 3ijr h GLY 198 CO 0.11 0.60 0.60 0.00 0.00 0.00 0.00 176.54 177.85 3ijr h ALA 199 N 1.18 1.15 -0.76 3.60 0.00 -0.88 -1.98 119.26 121.56 3ijr h ALA 199 Ca 0.26 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 3ijr h ALA 199 Cb 0.16 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3ijr h ALA 199 CO -0.03 0.56 0.27 0.82 0.00 0.00 0.00 179.25 180.87 3ijr h ILE 200 N 1.23 1.26 -0.51 0.00 2.04 -0.67 0.11 117.51 120.97 3ijr h ILE 200 Ca 0.33 -0.87 -0.01 0.00 1.00 0.00 0.00 64.86 65.31 3ijr h ILE 200 Cb -0.14 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 36.30 3ijr h ILE 200 CO -0.07 0.35 0.28 0.58 0.00 0.00 0.00 178.15 179.29 3ijr h VAL 201 N 1.13 1.17 -0.22 1.67 2.07 -0.92 0.10 116.25 121.25 3ijr h VAL 201 Ca 0.25 -0.44 -0.18 0.00 0.82 0.00 0.00 66.70 67.15 3ijr h VAL 201 Cb 0.26 0.53 -0.00 0.00 -1.52 0.00 0.00 31.29 30.57 3ijr h VAL 201 CO -0.01 0.19 -0.58 0.00 0.02 0.00 0.00 177.57 177.18 3ijr h ALA 202 N 1.12 0.55 -0.54 1.67 0.00 -1.11 -2.37 119.26 118.59 3ijr h ALA 202 Ca 0.18 -0.53 0.05 0.00 0.00 0.00 0.00 54.91 54.61 3ijr h ALA 202 Cb 0.05 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 3ijr h ALA 202 CO -0.03 0.69 0.28 0.35 0.00 0.00 0.00 179.25 180.54 3ijr h PHE 203 N 0.53 0.51 -0.09 0.00 3.57 -0.57 -0.95 116.94 119.94 3ijr h PHE 203 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 3ijr h PHE 203 Cb 1.17 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 39.75 3ijr h PHE 203 CO 0.06 0.25 0.06 1.15 -2.23 0.00 0.00 178.31 177.60 3ijr h THR 204 N 0.54 1.04 -0.29 4.41 2.02 -0.82 -0.21 112.91 119.60 3ijr h THR 204 Ca 0.24 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 67.30 3ijr h THR 204 Cb 0.14 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 3ijr h THR 204 CO -0.16 0.04 0.16 0.03 0.37 0.00 0.00 175.52 175.96 3ijr h ARG 205 N 0.10 0.41 -0.30 6.66 3.08 -1.19 -0.88 114.38 122.25 3ijr h ARG 205 Ca 0.03 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 59.97 3ijr h ARG 205 Cb 0.01 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 3ijr h ARG 205 CO -0.01 0.35 -0.07 0.77 -1.07 0.00 0.00 179.97 179.94 3ijr h SER 206 N 0.36 0.59 -0.48 7.04 0.02 -1.11 -2.92 113.55 117.05 3ijr h SER 206 Ca 0.10 -0.36 -0.06 0.00 -0.84 0.00 0.00 61.79 60.63 3ijr h SER 206 Cb 0.06 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.41 3ijr h SER 206 CO -0.02 0.82 0.09 0.25 -1.14 0.00 0.00 176.83 176.83 3ijr h LEU 207 N 0.35 0.81 -1.00 5.07 5.85 -0.95 -1.58 115.31 123.86 3ijr h LEU 207 Ca 0.08 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.64 3ijr h LEU 207 Cb 0.56 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.33 3ijr h LEU 207 CO 0.03 0.82 0.64 0.77 -0.34 0.00 0.00 178.44 180.36 3ijr h SER 208 N 0.81 1.15 -0.55 1.25 4.64 -1.05 -0.23 113.55 119.57 3ijr h SER 208 Ca 0.17 -0.04 -0.05 0.00 -0.47 0.00 0.00 61.79 61.40 3ijr h SER 208 Cb 0.36 -0.29 -0.02 0.00 -0.31 0.00 0.00 62.40 62.14 3ijr h SER 208 CO 0.01 0.84 0.15 1.56 -0.87 0.00 0.00 176.83 178.52 3ijr h GLN 209 N 1.35 0.86 -0.36 4.77 4.20 -1.24 -1.21 115.11 123.49 3ijr h GLN 209 Ca 0.36 -0.20 -0.07 0.00 0.06 0.00 0.00 58.65 58.80 3ijr h GLN 209 Cb -0.13 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.51 3ijr h GLN 209 CO -0.08 0.80 -0.09 1.03 -0.67 0.00 0.00 178.83 179.82 3ijr h SER 210 N 0.77 0.59 -0.00 1.46 0.87 -0.61 -3.29 113.55 113.33 3ijr h SER 210 Ca 0.17 -0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 3ijr h SER 210 Cb 0.31 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.11 3ijr h SER 210 CO -0.00 0.72 -0.66 0.18 -0.53 0.00 0.00 176.83 176.54 3ijr n LEU 211 N -4.20 1.08 -0.35 2.23 4.77 -0.16 -4.59 117.00 115.78 3ijr n LEU 211 Ca 0.01 -0.58 0.10 0.00 -0.03 0.00 0.00 56.01 55.51 3ijr n LEU 211 Cb 0.32 0.00 0.29 0.00 -2.33 0.00 0.00 43.42 41.70 3ijr n LEU 211 CO 0.41 0.24 1.22 1.62 -1.33 0.00 0.00 177.39 179.54 3ijr h VAL 212 N 0.61 0.81 0.00 4.08 3.04 -1.29 0.15 116.25 123.65 3ijr h VAL 212 Ca 0.00 -0.30 -0.00 0.00 -1.01 0.00 0.00 66.70 65.39 3ijr h VAL 212 Cb 0.46 -0.13 -0.00 0.00 -2.01 0.00 0.00 31.29 29.61 3ijr h VAL 212 CO 0.00 0.16 -0.01 1.56 -1.01 0.00 0.00 177.57 178.27 3ijr h GLN 213 N 0.86 0.00 -0.11 4.17 4.20 -1.81 -2.42 115.11 120.00 3ijr h GLN 213 Ca 0.53 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.24 3ijr h GLN 213 Cb 0.71 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.49 3ijr h GLN 213 CO -0.31 0.01 0.00 1.63 -0.67 0.00 0.00 178.83 179.49 3ijr n LYS 214 N -3.11 1.43 -1.49 1.46 5.02 0.50 -4.90 118.16 117.07 3ijr n LYS 214 Ca 0.01 -0.66 -0.07 0.00 -2.02 0.00 0.00 58.31 55.58 3ijr n LYS 214 Cb 0.36 -1.33 -0.02 0.00 -0.02 0.00 0.00 35.03 34.02 3ijr n LYS 214 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ijr n GLY 215 N 0.97 0.66 3.31 0.72 0.00 -0.91 -3.57 105.19 106.37 3ijr n GLY 215 Ca 0.14 -0.69 -0.34 0.00 0.00 0.00 0.00 46.02 45.13 3ijr n GLY 215 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ijr s ILE 216 N -2.29 3.15 0.09 -0.61 1.01 -1.13 -0.30 121.20 121.13 3ijr s ILE 216 Ca 0.00 -0.58 -0.11 0.00 0.00 0.00 0.00 60.65 59.96 3ijr s ILE 216 Cb 0.00 -2.40 -0.06 0.00 0.01 0.00 0.00 42.46 40.01 3ijr s ILE 216 CO 0.00 0.46 0.43 -0.13 0.00 0.00 0.00 174.94 175.70 3ijr s ARG 217 N 1.15 3.80 -0.07 2.79 0.52 -1.01 -3.82 118.95 122.30 3ijr s ARG 217 Ca 0.01 0.24 -0.02 0.00 -0.52 0.00 0.00 55.73 55.44 3ijr s ARG 217 Cb -0.14 -2.98 0.03 0.00 0.52 0.00 0.00 34.95 32.37 3ijr s ARG 217 CO -0.02 0.54 0.01 0.08 0.02 0.00 0.00 175.30 175.93 3ijr s VAL 218 N -1.41 0.30 0.27 3.52 1.01 -1.26 -0.97 120.40 121.85 3ijr s VAL 218 Ca 0.34 0.14 0.03 0.00 0.00 0.00 0.00 61.98 62.49 3ijr s VAL 218 Cb -0.14 -0.49 -0.04 0.00 0.00 0.00 0.00 36.38 35.71 3ijr s VAL 218 CO 0.18 0.22 0.20 0.20 0.00 0.00 0.00 175.10 175.90 3ijr s ASN 219 N 2.00 0.94 0.25 3.32 0.01 -0.76 -0.24 114.94 120.46 3ijr s ASN 219 Ca 0.05 -1.57 0.01 0.00 -0.71 0.00 0.00 52.86 50.63 3ijr s ASN 219 Cb -0.12 0.47 -0.05 0.00 0.41 0.00 0.00 41.25 41.95 3ijr s ASN 219 CO -0.05 -0.95 0.10 -0.83 -1.51 0.00 0.00 177.10 173.86 3ijr s GLY 220 N -3.27 1.70 -0.05 0.66 0.00 0.36 -1.32 107.32 105.40 3ijr s GLY 220 Ca 0.40 -1.84 0.03 0.00 0.00 0.00 0.00 44.72 43.30 3ijr s GLY 220 CO 0.20 -1.57 -0.13 0.14 0.00 0.00 0.00 173.10 171.74 3ijr s VAL 221 N -3.81 1.19 -0.56 1.40 1.01 -0.86 -1.60 120.40 117.16 3ijr s VAL 221 Ca 0.38 -0.54 -0.02 0.00 0.00 0.00 0.00 61.98 61.80 3ijr s VAL 221 Cb 0.08 -1.06 0.14 0.00 0.00 0.00 0.00 36.38 35.54 3ijr s VAL 221 CO 0.13 0.36 0.35 0.00 0.00 0.00 0.00 175.10 175.95 3ijr s ALA 222 N 0.40 3.44 0.52 5.51 0.00 0.29 -0.70 121.76 131.22 3ijr s ALA 222 Ca -0.10 -3.10 -0.19 0.00 0.00 0.00 0.00 51.96 48.58 3ijr s ALA 222 Cb -0.13 -2.52 -0.07 0.00 0.00 0.00 0.00 23.12 20.40 3ijr s ALA 222 CO 0.03 -2.02 1.04 -2.14 0.00 0.00 0.00 175.76 172.67 3ijr s PRO 223 N 0.17 3.66 0.00 0.00 0.02 -1.26 -2.44 135.00 135.15 3ijr s PRO 223 Ca 0.15 1.30 0.00 0.00 0.02 0.00 0.00 61.00 62.47 3ijr s PRO 223 Cb -0.21 -2.08 0.00 0.00 0.02 0.00 0.00 34.50 32.23 3ijr s PRO 223 CO -0.03 -0.54 0.00 0.41 -0.33 0.00 0.00 177.00 176.50 3ijr n GLY 224 N -0.52 1.41 3.61 0.52 0.00 -0.34 -1.64 105.19 108.23 3ijr n GLY 224 Ca 0.09 -1.77 -0.43 0.00 0.00 0.00 0.00 46.02 43.91 3ijr n GLY 224 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ijr s PRO 225 N 2.36 3.66 -0.05 1.61 0.04 -1.26 -4.92 135.00 136.44 3ijr s PRO 225 Ca 0.00 1.25 0.06 0.00 0.04 0.00 0.00 61.00 62.35 3ijr s PRO 225 Cb 0.00 -4.02 -0.02 0.00 0.04 0.00 0.00 34.50 30.50 3ijr s PRO 225 CO 0.00 -1.45 -0.23 0.42 0.04 0.00 0.00 177.00 175.78 3ijr s ILE 226 N 5.37 2.29 -0.70 0.56 -1.09 -1.26 -0.36 121.20 126.01 3ijr s ILE 226 Ca 0.65 -0.99 -0.26 0.00 -2.23 0.00 0.00 60.65 57.82 3ijr s ILE 226 Cb -0.18 -1.84 0.00 0.00 -1.58 0.00 0.00 42.46 38.86 3ijr s ILE 226 CO 0.30 0.57 1.59 0.86 -1.23 0.00 0.00 174.94 177.03 3ijr s TRP 227 N -0.34 1.98 0.17 3.97 -0.00 -0.10 -4.83 118.94 119.78 3ijr s TRP 227 Ca 0.02 0.33 -0.02 0.00 -0.00 0.00 0.00 56.10 56.43 3ijr s TRP 227 Cb -0.12 -4.36 -0.04 0.00 -0.00 0.00 0.00 33.47 28.96 3ijr s TRP 227 CO 0.02 -2.17 0.13 0.95 -0.00 0.00 0.00 176.95 175.89 3ijr s THR 228 N 7.45 0.05 0.53 5.86 -4.23 -1.26 -4.43 115.64 119.61 3ijr s THR 228 Ca 0.52 -1.87 0.40 0.00 -1.18 0.00 0.00 61.69 59.56 3ijr s THR 228 Cb -0.10 -2.23 0.40 0.00 1.34 0.00 0.00 72.50 71.92 3ijr s THR 228 CO 0.16 -0.23 2.24 -0.65 -0.54 0.00 0.00 174.62 175.60 3ijr h PRO 229 N 2.70 0.00 -0.21 3.99 0.11 -1.90 -1.91 132.00 134.78 3ijr h PRO 229 Ca -0.35 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.74 3ijr h PRO 229 Cb 1.23 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 3ijr h PRO 229 CO 0.54 0.00 0.04 1.25 -0.21 0.00 0.00 178.00 179.62 3ijr h LEU 230 N 0.00 0.27 0.13 2.35 5.85 -1.93 -2.98 115.31 119.00 3ijr h LEU 230 Ca 0.00 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 3ijr h LEU 230 Cb 0.04 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.00 3ijr h LEU 230 CO 0.00 0.30 -0.06 0.40 -0.34 0.00 0.00 178.44 178.73 3ijr h ILE 231 N 0.30 0.91 0.00 4.05 5.03 -1.66 -2.59 117.51 123.55 3ijr h ILE 231 Ca 0.07 -1.22 -0.04 0.00 -0.12 0.00 0.00 64.86 63.55 3ijr h ILE 231 Cb 0.15 1.55 -0.01 0.00 -3.03 0.00 0.00 36.82 35.48 3ijr h ILE 231 CO -0.00 0.24 -0.17 1.55 -0.68 0.00 0.00 178.15 179.09 3ijr h PRO 232 N -0.86 0.00 0.00 2.37 0.13 -1.71 -1.03 132.00 130.90 3ijr h PRO 232 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 3ijr h PRO 232 Cb 0.54 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.67 3ijr h PRO 232 CO 0.03 0.17 -0.26 -1.13 -0.23 0.00 0.00 178.00 176.58 3ijr n SER 233 N -3.30 0.35 -0.04 1.44 3.41 -1.13 -1.28 113.62 113.07 3ijr n SER 233 Ca 0.01 0.18 -0.05 0.00 -0.26 0.00 0.00 58.87 58.75 3ijr n SER 233 Cb 0.42 -0.17 -0.05 0.00 -0.26 0.00 0.00 64.21 64.15 3ijr n SER 233 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3ijr n SER 234 N -1.65 3.23 -4.94 4.04 3.41 -0.97 -4.60 113.62 112.14 3ijr n SER 234 Ca 0.06 -0.03 -0.27 0.00 -0.26 0.00 0.00 58.87 58.37 3ijr n SER 234 Cb 0.36 0.25 -0.03 0.00 -0.26 0.00 0.00 64.21 64.52 3ijr n SER 234 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3ijr s PHE 235 N -2.18 3.49 0.90 7.33 0.08 -0.40 -4.54 117.98 122.65 3ijr s PHE 235 Ca -0.08 0.22 -0.13 0.00 0.12 0.00 0.00 56.93 57.06 3ijr s PHE 235 Cb 0.03 -1.76 0.13 0.00 -0.57 0.00 0.00 43.02 40.85 3ijr s PHE 235 CO 0.26 0.45 1.16 0.16 -0.10 0.00 0.00 175.22 177.15 3ijr s ASP 236 N -3.19 3.65 0.13 1.36 -4.77 -1.26 -4.72 116.67 107.87 3ijr s ASP 236 Ca 0.36 0.88 -0.24 0.00 -3.30 0.00 0.00 52.55 50.25 3ijr s ASP 236 Cb -0.11 -1.40 -0.04 0.00 -1.09 0.00 0.00 42.92 40.29 3ijr s ASP 236 CO 0.29 -2.45 1.65 -0.33 0.70 0.00 0.00 175.17 175.03 3ijr h GLU 237 N -1.43 -0.29 -0.45 2.11 5.08 -1.94 -1.34 114.58 116.32 3ijr h GLU 237 Ca -0.49 0.02 0.08 0.00 -1.00 0.00 0.00 59.36 57.97 3ijr h GLU 237 Cb 1.33 0.07 -0.07 0.00 0.50 0.00 0.00 28.75 30.57 3ijr h GLU 237 CO 0.61 -0.19 0.01 -0.22 -1.00 0.00 0.00 179.01 178.22 3ijr h LYS 238 N -0.30 0.12 -0.67 2.33 1.63 -1.94 -1.17 116.57 116.57 3ijr h LYS 238 Ca 0.08 -0.01 -0.07 0.00 -0.85 0.00 0.00 60.65 59.80 3ijr h LYS 238 Cb 0.41 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 31.98 3ijr h LYS 238 CO -0.23 0.08 0.14 -0.22 -3.45 0.00 0.00 179.45 175.77 3ijr h LYS 239 N 0.12 1.09 -0.47 1.90 1.63 -1.89 -2.69 116.57 116.26 3ijr h LYS 239 Ca 0.23 -0.27 0.02 0.00 -0.85 0.00 0.00 60.65 59.78 3ijr h LYS 239 Cb 0.33 -0.14 -0.03 0.00 -0.60 0.00 0.00 32.23 31.79 3ijr h LYS 239 CO -0.37 0.97 0.28 0.28 -3.45 0.00 0.00 179.45 177.16 3ijr h VAL 240 N 1.03 1.06 0.00 2.00 2.07 -0.41 -1.70 116.25 120.29 3ijr h VAL 240 Ca 0.21 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.54 3ijr h VAL 240 Cb 0.39 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 3ijr h VAL 240 CO 0.01 0.10 0.00 0.77 0.02 0.00 0.00 177.57 178.47 3ijr h SER 241 N 0.57 0.00 0.00 0.57 4.64 -0.92 -1.56 113.55 116.85 3ijr h SER 241 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 3ijr h SER 241 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3ijr h SER 241 CO -0.08 0.00 -0.84 0.00 -0.87 0.00 0.00 176.83 175.05 3ijr n GLN 242 N -2.95 0.36 -1.66 4.77 6.02 -0.92 -4.81 117.38 118.19 3ijr n GLN 242 Ca -0.01 -0.30 -0.53 0.00 -0.01 0.00 0.00 57.00 56.15 3ijr n GLN 242 Cb 0.17 -1.49 -0.06 0.00 1.02 0.00 0.00 30.24 29.88 3ijr n GLN 242 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3ijr n PHE 243 N -1.06 1.93 0.00 1.08 7.35 -0.59 -1.60 117.46 124.57 3ijr n PHE 243 Ca 0.06 0.46 0.00 0.00 -0.76 0.00 0.00 57.45 57.21 3ijr n PHE 243 Cb 0.37 -2.45 0.00 0.00 0.35 0.00 0.00 39.48 37.75 3ijr n PHE 243 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3ijr n GLY 244 N 3.56 1.99 0.26 7.13 0.00 -1.26 -4.34 105.19 112.53 3ijr n GLY 244 Ca 0.22 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.38 3ijr n GLY 244 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3ijr h SER 245 N 0.00 0.00 1.04 1.61 4.64 -1.57 -1.08 113.55 118.20 3ijr h SER 245 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ijr h SER 245 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3ijr h SER 245 CO 0.00 0.12 -0.31 -0.46 -0.87 0.00 0.00 176.83 175.31 3ijr n ASN 246 N -3.37 0.61 -4.89 4.97 6.94 -1.26 -4.59 115.26 113.68 3ijr n ASN 246 Ca -0.01 0.28 -0.29 0.00 -0.02 0.00 0.00 54.58 54.55 3ijr n ASN 246 Cb 0.31 -0.25 0.01 0.00 -2.36 0.00 0.00 39.78 37.50 3ijr n ASN 246 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 3ijr s VAL 247 N -3.10 4.71 0.00 3.53 -7.23 -1.22 -4.94 120.40 112.15 3ijr s VAL 247 Ca 0.09 0.43 0.00 0.00 -1.81 0.00 0.00 61.98 60.69 3ijr s VAL 247 Cb 0.14 -3.83 0.00 0.00 0.56 0.00 0.00 36.38 33.26 3ijr s VAL 247 CO 0.65 -0.92 0.00 -2.65 -0.31 0.00 0.00 175.10 171.87 3ijr n PRO 248 N -2.47 0.00 -1.71 4.82 -0.02 -1.17 -4.51 135.00 129.94 3ijr n PRO 248 Ca 0.03 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.50 3ijr n PRO 248 Cb 0.55 -1.12 0.00 0.00 -0.02 0.00 0.00 33.50 32.92 3ijr n PRO 248 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3ijr n GLN 250 N 1.29 0.08 -3.52 -0.52 6.02 -1.26 -5.04 117.38 114.43 3ijr n GLN 250 Ca 0.00 -0.14 -0.12 0.00 -0.01 0.00 0.00 57.00 56.74 3ijr n GLN 250 Cb 0.00 0.02 -0.04 0.00 1.02 0.00 0.00 30.24 31.24 3ijr n GLN 250 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 3ijr s ARG 251 N 0.01 0.84 0.56 -1.09 1.70 -0.41 -4.66 118.95 115.90 3ijr s ARG 251 Ca 0.01 -0.05 -0.12 0.00 -0.47 0.00 0.00 55.73 55.10 3ijr s ARG 251 Cb 0.03 0.39 -0.05 0.00 -0.57 0.00 0.00 34.95 34.75 3ijr s ARG 251 CO -0.01 -0.32 0.97 -1.25 -1.08 0.00 0.00 175.30 173.62 3ijr s PRO 252 N -2.10 3.71 0.45 3.89 0.04 -1.25 -4.76 135.00 134.99 3ijr s PRO 252 Ca -0.01 0.74 -0.09 0.00 0.04 0.00 0.00 61.00 61.68 3ijr s PRO 252 Cb -0.01 -2.15 -0.05 0.00 0.04 0.00 0.00 34.50 32.33 3ijr s PRO 252 CO -0.02 -0.41 0.81 0.20 0.04 0.00 0.00 177.00 177.62 3ijr s GLY 253 N -3.77 1.80 0.09 0.56 0.00 0.51 -4.87 107.32 101.64 3ijr s GLY 253 Ca 0.55 -0.26 0.01 0.00 0.00 0.00 0.00 44.72 45.02 3ijr s GLY 253 CO 0.45 -0.07 0.24 1.20 0.00 0.00 0.00 173.10 174.92 3ijr s GLN 254 N -4.23 3.43 0.35 2.90 -1.52 -1.26 -0.93 119.66 118.40 3ijr s GLN 254 Ca 0.51 -0.50 0.08 0.00 -1.95 0.00 0.00 55.36 53.50 3ijr s GLN 254 Cb -0.10 -3.01 0.79 0.00 -0.22 0.00 0.00 33.01 30.47 3ijr s GLN 254 CO 0.37 0.58 1.87 -1.35 -0.25 0.00 0.00 175.29 176.51 3ijr h PRO 255 N 2.73 0.70 0.00 2.91 0.11 -1.74 0.08 132.00 136.79 3ijr h PRO 255 Ca -0.46 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.60 3ijr h PRO 255 Cb 1.17 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.12 3ijr h PRO 255 CO 0.73 0.47 -0.01 0.10 -0.21 0.00 0.00 178.00 179.08 3ijr h TYR 256 N 0.72 0.00 0.00 0.65 -0.00 -1.41 -1.13 116.97 115.81 3ijr h TYR 256 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.17 3ijr h TYR 256 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.39 3ijr h TYR 256 CO -0.00 0.01 0.00 0.39 -0.00 0.00 0.00 178.16 178.56 3ijr n GLU 257 N -3.65 0.07 0.00 0.10 1.02 0.02 -2.91 120.64 115.28 3ijr n GLU 257 Ca -0.03 0.18 0.01 0.00 -0.02 0.00 0.00 57.16 57.31 3ijr n GLU 257 Cb 0.10 -1.60 -0.11 0.00 -0.02 0.00 0.00 31.44 29.81 3ijr n GLU 257 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3ijr n LEU 258 N -1.72 0.51 -0.13 -4.62 4.32 -0.43 -4.59 117.00 110.34 3ijr n LEU 258 Ca 0.05 0.22 -0.04 0.00 -0.02 0.00 0.00 56.01 56.22 3ijr n LEU 258 Cb 0.27 0.13 0.04 0.00 -1.62 0.00 0.00 43.42 42.25 3ijr n LEU 258 CO 0.21 0.16 0.91 0.00 -1.22 0.00 0.00 177.39 177.46 3ijr h ALA 259 N 1.50 0.48 -0.18 -1.18 0.00 -1.52 -2.53 119.26 115.84 3ijr h ALA 259 Ca -0.19 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3ijr h ALA 259 Cb 1.55 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 3ijr h ALA 259 CO 0.03 -0.30 0.12 -1.35 0.00 0.00 0.00 179.25 177.75 3ijr h PRO 260 N 0.24 0.22 -0.55 0.00 0.11 -1.81 -0.17 132.00 130.05 3ijr h PRO 260 Ca 0.21 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.32 3ijr h PRO 260 Cb 0.25 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 31.28 3ijr h PRO 260 CO -0.26 0.15 0.35 0.00 -0.21 0.00 0.00 178.00 178.03 3ijr h ALA 261 N 1.89 0.69 -0.52 -0.75 0.00 -1.74 0.10 119.26 118.93 3ijr h ALA 261 Ca 0.07 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 3ijr h ALA 261 Cb -0.01 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3ijr h ALA 261 CO -0.01 0.11 -0.02 1.88 0.00 0.00 0.00 179.25 181.21 3ijr h TYR 262 N 0.72 1.02 -0.69 0.00 0.05 -1.05 -1.43 116.97 115.59 3ijr h TYR 262 Ca 0.20 -0.18 0.00 0.00 0.05 0.00 0.00 58.73 58.80 3ijr h TYR 262 Cb -0.06 -0.26 -0.03 0.00 1.01 0.00 0.00 36.73 37.38 3ijr h TYR 262 CO -0.04 0.95 0.44 0.28 -1.05 0.00 0.00 178.16 178.73 3ijr h VAL 263 N 0.80 1.19 -0.02 -2.88 2.07 -0.83 0.15 116.25 116.72 3ijr h VAL 263 Ca 0.15 -0.37 0.01 0.00 0.82 0.00 0.00 66.70 67.31 3ijr h VAL 263 Cb 0.55 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 3ijr h VAL 263 CO 0.03 0.18 -0.05 0.22 0.02 0.00 0.00 177.57 177.97 3ijr h TYR 264 N 0.93 -0.13 0.00 1.57 3.20 -0.54 -2.08 116.97 119.92 3ijr h TYR 264 Ca 0.25 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.06 3ijr h TYR 264 Cb -0.08 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.25 3ijr h TYR 264 CO -0.02 -0.09 -0.30 -0.07 -1.64 0.00 0.00 178.16 176.04 3ijr h LEU 265 N -0.09 0.00 0.00 2.82 3.38 -0.93 -3.16 115.31 117.34 3ijr h LEU 265 Ca 0.03 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.87 3ijr h LEU 265 Cb 0.13 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 3ijr h LEU 265 CO -0.07 0.30 -0.75 0.00 0.09 0.00 0.00 178.44 178.01 3ijr h ALA 266 N 1.70 0.64 -1.25 1.53 0.00 -0.44 -3.46 119.26 117.98 3ijr h ALA 266 Ca -0.00 -0.58 -0.46 0.00 0.00 0.00 0.00 54.91 53.88 3ijr h ALA 266 Cb 0.74 -0.01 0.04 0.00 0.00 0.00 0.00 17.79 18.56 3ijr h ALA 266 CO 0.04 0.74 -0.11 -1.54 0.00 0.00 0.00 179.25 178.38 3ijr s SER 267 N -6.32 5.19 0.00 0.00 1.04 -0.81 -4.89 113.70 107.91 3ijr s SER 267 Ca 0.02 -0.51 0.17 0.00 0.48 0.00 0.00 55.95 56.12 3ijr s SER 267 Cb 0.08 -0.24 0.91 0.00 0.10 0.00 0.00 66.02 66.87 3ijr s SER 267 CO 0.77 -1.21 1.48 -1.54 0.98 0.00 0.00 173.24 173.72 3ijr n SER 268 N -2.23 0.00 0.18 7.02 3.41 -1.26 -2.67 113.62 118.07 3ijr n SER 268 Ca 0.12 -0.13 0.12 0.00 -0.26 0.00 0.00 58.87 58.72 3ijr n SER 268 Cb 0.60 -0.20 0.68 0.00 -0.26 0.00 0.00 64.21 65.03 3ijr n SER 268 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3ijr h ASP 269 N 0.00 0.00 -0.66 4.04 3.32 -1.91 -2.41 116.42 118.80 3ijr h ASP 269 Ca 0.00 0.00 -0.39 0.00 0.02 0.00 0.00 57.03 56.66 3ijr h ASP 269 Cb 0.11 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 39.44 3ijr h ASP 269 CO 0.00 0.00 0.16 -1.54 -1.72 0.00 0.00 179.24 176.14 3ijr n SER 270 N -4.42 3.89 -0.21 6.45 3.41 -1.09 -4.80 113.62 116.86 3ijr n SER 270 Ca 0.01 -3.75 0.26 0.00 -0.26 0.00 0.00 58.87 55.13 3ijr n SER 270 Cb 0.26 -0.71 0.65 0.00 -0.26 0.00 0.00 64.21 64.15 3ijr n SER 270 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3ijr h SER 271 N 1.30 0.15 -0.59 4.04 4.64 -1.62 0.33 113.55 121.80 3ijr h SER 271 Ca 0.41 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 3ijr h SER 271 Cb 1.81 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.89 3ijr h SER 271 CO 0.80 0.05 0.00 0.00 -0.87 0.00 0.00 176.83 176.81 3ijr n TYR 272 N -4.36 1.96 -4.28 4.77 9.36 -1.26 -4.91 117.16 118.44 3ijr n TYR 272 Ca 0.19 -0.70 -0.33 0.00 3.32 0.00 0.00 57.90 60.39 3ijr n TYR 272 Cb 0.89 -0.46 -0.16 0.00 -0.63 0.00 0.00 39.34 38.98 3ijr n TYR 272 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 3ijr s VAL 273 N -2.57 2.44 -0.08 2.97 1.01 0.10 -5.10 120.40 119.17 3ijr s VAL 273 Ca 0.54 -0.83 -0.19 0.00 0.00 0.00 0.00 61.98 61.50 3ijr s VAL 273 Cb 0.40 -2.03 0.04 0.00 0.00 0.00 0.00 36.38 34.78 3ijr s VAL 273 CO 0.18 0.52 0.46 0.28 0.00 0.00 0.00 175.10 176.53 3ijr s THR 274 N 1.12 0.02 0.00 3.92 -1.32 -1.26 -4.70 115.64 113.43 3ijr s THR 274 Ca 0.01 -0.20 0.00 0.00 -1.21 0.00 0.00 61.69 60.29 3ijr s THR 274 Cb -0.14 -0.72 0.00 0.00 -1.51 0.00 0.00 72.50 70.12 3ijr s THR 274 CO -0.06 -0.11 0.00 0.61 -2.21 0.00 0.00 174.62 172.85 3ijr n GLY 275 N 1.73 0.57 0.00 6.08 0.00 0.67 -4.98 105.19 109.27 3ijr n GLY 275 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 3ijr n GLY 275 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3ijr n GLN 276 N -2.85 3.65 -3.62 1.61 1.13 -1.26 -4.67 117.38 111.37 3ijr n GLN 276 Ca 0.00 0.00 -0.07 0.00 -1.94 0.00 0.00 57.00 54.99 3ijr n GLN 276 Cb 0.00 0.00 -0.08 0.00 0.11 0.00 0.00 30.24 30.27 3ijr n GLN 276 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3ijr s ILE 278 N 3.46 -0.71 -0.36 5.09 -1.09 -0.63 -0.48 121.20 126.48 3ijr s ILE 278 Ca 0.00 0.12 -0.17 0.00 -2.23 0.00 0.00 60.65 58.38 3ijr s ILE 278 Cb 0.00 -0.73 -0.00 0.00 -1.58 0.00 0.00 42.46 40.14 3ijr s ILE 278 CO 0.00 0.04 0.43 -1.00 -1.23 0.00 0.00 174.94 173.19 3ijr s HIS 279 N 2.66 3.19 -0.59 3.97 3.76 -1.26 -0.55 115.29 126.47 3ijr s HIS 279 Ca -0.01 -0.04 0.04 0.00 -0.15 0.00 0.00 55.06 54.90 3ijr s HIS 279 Cb -0.12 -2.81 0.15 0.00 1.11 0.00 0.00 32.58 30.90 3ijr s HIS 279 CO -0.14 -0.53 0.37 0.08 -0.85 0.00 0.00 174.74 173.66 3ijr s VAL 280 N 2.18 2.44 0.00 -0.90 1.01 -1.02 -4.93 120.40 119.17 3ijr s VAL 280 Ca 0.14 -3.62 0.00 0.00 0.00 0.00 0.00 61.98 58.50 3ijr s VAL 280 Cb -0.16 -2.65 0.00 0.00 0.00 0.00 0.00 36.38 33.57 3ijr s VAL 280 CO 0.13 -0.93 0.87 -0.46 0.00 0.00 0.00 175.10 174.70 3ijr n ASN 281 N 2.63 0.00 0.00 3.32 0.23 -1.26 -1.20 115.26 118.98 3ijr n ASN 281 Ca 0.14 -1.74 0.00 0.00 -0.53 0.00 0.00 54.58 52.45 3ijr n ASN 281 Cb 0.35 -0.15 0.00 0.00 -2.08 0.00 0.00 39.78 37.90 3ijr n ASN 281 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3ijr n GLY 282 N 0.00 0.47 0.00 4.83 0.00 -1.26 -4.08 105.19 105.15 3ijr n GLY 282 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.66 3ijr n GLY 282 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ijr n GLY 283 N -2.99 1.12 3.68 -0.02 0.00 -1.26 -3.02 105.19 102.70 3ijr n GLY 283 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3ijr n GLY 283 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ijr s VAL 284 N -2.00 4.36 0.01 1.61 1.01 -1.26 -4.70 120.40 119.43 3ijr s VAL 284 Ca 0.00 1.67 -0.29 0.00 0.00 0.00 0.00 61.98 63.36 3ijr s VAL 284 Cb 0.00 -4.08 -0.03 0.00 0.00 0.00 0.00 36.38 32.27 3ijr s VAL 284 CO 0.00 -0.02 0.96 -0.63 0.00 0.00 0.00 175.10 175.40 3ijr s ILE 285 N 2.38 4.84 -0.10 2.22 -1.09 -1.26 -4.93 121.20 123.26 3ijr s ILE 285 Ca 0.54 2.01 0.13 0.00 -2.23 0.00 0.00 60.65 61.11 3ijr s ILE 285 Cb -0.23 -4.30 0.24 0.00 -1.58 0.00 0.00 42.46 36.59 3ijr s ILE 285 CO 0.20 0.18 1.12 1.33 -1.23 0.00 0.00 174.94 176.54 3ijr n VAL 286 N 3.77 1.27 -2.66 2.92 0.24 -1.26 -4.95 118.33 117.66 3ijr n VAL 286 Ca 0.05 -1.69 -0.20 0.00 -2.04 0.00 0.00 64.34 60.46 3ijr n VAL 286 Cb 0.51 0.06 0.01 0.00 -1.47 0.00 0.00 33.84 32.95 3ijr n VAL 286 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 3ijr n ASN 287 N -0.86 -5.70 -0.06 -1.34 5.15 -1.26 -5.03 115.26 106.17 3ijr n ASN 287 Ca 0.11 -0.14 0.16 0.00 -0.60 0.00 0.00 54.58 54.11 3ijr n ASN 287 Cb 0.70 -4.63 0.90 0.00 -0.53 0.00 0.00 39.78 36.22 3ijr n ASN 287 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27