#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ijr n ALA 0 N 0.00 2.08 0.00 5.20 0.00 -1.26 -5.04 120.51 121.49 3ijr n ALA 0 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3ijr n ALA 0 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 3ijr n ALA 0 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3ijr n PRO 2 N 0.60 0.00 -0.08 0.00 -0.04 -1.26 -5.08 135.00 129.14 3ijr n PRO 2 Ca 0.00 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.54 3ijr n PRO 2 Cb 0.28 0.00 0.12 0.00 -0.04 0.00 0.00 33.50 33.86 3ijr n PRO 2 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3ijr n GLN 3 N -0.02 1.78 -2.22 0.54 1.13 -1.26 -4.95 117.38 112.38 3ijr n GLN 3 Ca 0.00 -1.75 -0.43 0.00 -1.94 0.00 0.00 57.00 52.88 3ijr n GLN 3 Cb 0.00 -1.35 -0.02 0.00 0.11 0.00 0.00 30.24 28.98 3ijr n GLN 3 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 3ijr s GLN 4 N -1.29 3.92 0.39 -1.09 -0.44 -1.26 -4.99 119.66 114.90 3ijr s GLN 4 Ca 0.24 1.61 -0.26 0.00 -2.50 0.00 0.00 55.36 54.46 3ijr s GLN 4 Cb 0.15 -3.96 -0.09 0.00 -1.64 0.00 0.00 33.01 27.48 3ijr s GLN 4 CO 0.22 -1.13 1.19 0.15 0.50 0.00 0.00 175.29 176.22 3ijr s LYS 5 N 4.34 4.11 0.33 1.67 1.02 -1.26 -5.04 119.74 124.90 3ijr s LYS 5 Ca 0.66 1.90 0.08 0.00 0.02 0.00 0.00 55.97 58.63 3ijr s LYS 5 Cb -0.23 -2.75 -0.04 0.00 -0.52 0.00 0.00 37.83 34.28 3ijr s LYS 5 CO 0.26 -0.29 0.12 -0.80 -0.92 0.00 0.00 175.35 173.72 3ijr s ASN 6 N -1.02 4.68 0.14 2.83 0.01 -1.26 -4.90 114.94 115.41 3ijr s ASN 6 Ca 0.56 -0.74 -0.24 0.00 -0.71 0.00 0.00 52.86 51.73 3ijr s ASN 6 Cb -0.32 -0.77 0.07 0.00 0.41 0.00 0.00 41.25 40.64 3ijr s ASN 6 CO 0.41 -0.24 0.65 0.72 -1.51 0.00 0.00 177.10 177.13 3ijr s PHE 7 N -2.40 -0.49 0.03 2.20 -0.71 -1.26 -5.15 117.98 110.20 3ijr s PHE 7 Ca 0.36 0.28 -0.30 0.00 -1.04 0.00 0.00 56.93 56.23 3ijr s PHE 7 Cb -0.03 0.56 -0.05 0.00 -1.21 0.00 0.00 43.02 42.29 3ijr s PHE 7 CO 0.22 -0.82 1.20 0.08 -1.34 0.00 0.00 175.22 174.56 3ijr s VAL 8 N -3.66 4.11 0.00 -2.49 1.01 -1.26 -4.39 120.40 113.72 3ijr s VAL 8 Ca 0.02 1.50 0.00 0.00 0.00 0.00 0.00 61.98 63.50 3ijr s VAL 8 Cb -0.01 -3.96 0.00 0.00 0.00 0.00 0.00 36.38 32.41 3ijr s VAL 8 CO -0.11 0.08 0.59 0.35 0.00 0.00 0.00 175.10 176.00 3ijr n THR 9 N 4.14 0.26 -3.58 3.92 -2.24 0.23 -4.96 114.28 112.04 3ijr n THR 9 Ca 0.10 -0.57 -0.37 0.00 -2.27 0.00 0.00 64.05 60.94 3ijr n THR 9 Cb 0.46 0.95 -0.06 0.00 -2.10 0.00 0.00 70.33 69.59 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 -0.26 3.79 -0.14 -0.78 0.02 -1.26 -5.02 135.00 131.35 3ijr s PRO 11 Ca 0.00 0.24 -0.29 0.00 0.02 0.00 0.00 61.00 60.97 3ijr s PRO 11 Cb 0.00 -3.13 -0.05 0.00 0.02 0.00 0.00 34.50 31.34 3ijr s PRO 11 CO 0.00 0.66 1.83 0.00 -0.33 0.00 0.00 177.00 179.15 3ijr s ALA 12 N -1.19 3.27 0.18 -1.55 0.00 -1.26 -4.45 121.76 116.75 3ijr s ALA 12 Ca 0.26 0.78 -0.12 0.00 0.00 0.00 0.00 51.96 52.88 3ijr s ALA 12 Cb -0.15 -3.89 0.00 0.00 0.00 0.00 0.00 23.12 19.09 3ijr s ALA 12 CO 0.14 -1.98 0.38 1.14 0.00 0.00 0.00 175.76 175.44 3ijr s GLN 13 N 4.91 1.25 -0.28 0.00 -2.07 -1.26 -5.04 119.66 117.17 3ijr s GLN 13 Ca 0.82 -1.06 -0.22 0.00 -1.82 0.00 0.00 55.36 53.07 3ijr s GLN 13 Cb -0.32 0.43 0.10 0.00 -1.09 0.00 0.00 33.01 32.14 3ijr s GLN 13 CO 0.33 -0.49 0.86 -1.58 -1.32 0.00 0.00 175.29 173.09 3ijr s HIS 14 N -3.93 -0.70 -0.07 9.60 2.46 -1.26 -4.03 115.29 117.35 3ijr s HIS 14 Ca 0.14 1.59 0.02 0.00 0.47 0.00 0.00 55.06 57.28 3ijr s HIS 14 Cb 0.02 0.38 -0.03 0.00 -0.13 0.00 0.00 32.58 32.82 3ijr s HIS 14 CO -0.01 -0.34 -0.12 -0.65 -2.47 0.00 0.00 174.74 171.15 3ijr s GLN 15 N 0.72 2.70 -0.13 2.88 -0.21 -0.55 -5.00 119.66 120.08 3ijr s GLN 15 Ca -0.02 -0.66 0.09 0.00 0.02 0.00 0.00 55.36 54.79 3ijr s GLN 15 Cb -0.05 -2.47 0.49 0.00 1.00 0.00 0.00 33.01 31.98 3ijr s GLN 15 CO -0.08 0.57 1.27 0.27 -2.12 0.00 0.00 175.29 175.20 3ijr n ASN 16 N 2.47 3.71 -3.75 5.90 6.94 -1.26 -4.41 115.26 124.85 3ijr n ASN 16 Ca -0.17 -2.50 -0.13 0.00 -0.02 0.00 0.00 54.58 51.76 3ijr n ASN 16 Cb 0.52 -0.57 -0.13 0.00 -2.36 0.00 0.00 39.78 37.24 3ijr n ASN 16 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 3ijr s LYS 17 N -1.99 0.23 -0.00 -3.83 2.20 -1.26 -5.16 119.74 109.93 3ijr s LYS 17 Ca 0.33 0.44 0.07 0.00 -0.36 0.00 0.00 55.97 56.45 3ijr s LYS 17 Cb 0.24 -0.02 -0.02 0.00 -1.51 0.00 0.00 37.83 36.52 3ijr s LYS 17 CO 0.11 -0.11 -0.22 -1.14 -0.36 0.00 0.00 175.35 173.63 3ijr s GLN 18 N 0.80 1.71 0.33 4.03 0.74 -1.26 -3.48 119.66 122.53 3ijr s GLN 18 Ca -0.06 -0.83 -0.29 0.00 0.05 0.00 0.00 55.36 54.23 3ijr s GLN 18 Cb -0.07 -1.70 -0.11 0.00 1.10 0.00 0.00 33.01 32.23 3ijr s GLN 18 CO -0.05 0.46 1.57 -2.14 -0.55 0.00 0.00 175.29 174.58 3ijr s PRO 19 N -0.68 4.10 0.96 1.67 0.02 -1.26 -5.15 135.00 134.66 3ijr s PRO 19 Ca 0.08 2.60 -0.12 0.00 0.02 0.00 0.00 61.00 63.59 3ijr s PRO 19 Cb -0.09 -2.99 0.16 0.00 0.02 0.00 0.00 34.50 31.60 3ijr s PRO 19 CO -0.00 -0.62 1.10 0.20 -0.33 0.00 0.00 177.00 177.35 3ijr s GLY 20 N 0.27 1.58 -0.20 0.52 0.00 -1.23 -5.02 107.32 103.24 3ijr s GLY 20 Ca 0.60 -0.29 -0.06 0.00 0.00 0.00 0.00 44.72 44.97 3ijr s GLY 20 CO 0.54 0.28 0.04 -0.42 0.00 0.00 0.00 173.10 173.54 3ijr s ILE 21 N -2.99 4.33 0.14 0.90 -1.09 -1.26 -4.85 121.20 116.38 3ijr s ILE 21 Ca 0.65 -0.18 -0.14 0.00 -2.23 0.00 0.00 60.65 58.75 3ijr s ILE 21 Cb -0.18 -2.97 0.01 0.00 -1.58 0.00 0.00 42.46 37.74 3ijr s ILE 21 CO 0.57 0.42 1.61 -0.08 -1.23 0.00 0.00 174.94 176.23 3ijr h GLU 22 N 7.38 0.78 0.00 2.79 4.81 -1.96 -2.89 114.58 125.49 3ijr h GLU 22 Ca -0.36 -0.22 0.00 0.00 -0.13 0.00 0.00 59.36 58.65 3ijr h GLU 22 Cb 1.18 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.47 3ijr h GLU 22 CO 0.63 0.81 0.13 0.66 -0.73 0.00 0.00 179.01 180.50 3ijr h SER 23 N 0.64 0.00 -0.62 1.04 4.64 -1.99 -3.46 113.55 113.80 3ijr h SER 23 Ca 0.14 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 61.09 3ijr h SER 23 Cb 0.43 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 62.39 3ijr h SER 23 CO 0.01 0.00 0.09 0.18 -0.87 0.00 0.00 176.83 176.24 3ijr n LEU 24 N -2.83 5.98 0.00 5.97 4.77 -1.09 -5.07 117.00 124.74 3ijr n LEU 24 Ca -0.02 -3.67 0.00 0.00 -0.03 0.00 0.00 56.01 52.29 3ijr n LEU 24 Cb 0.18 -1.29 0.00 0.00 -2.33 0.00 0.00 43.42 39.98 3ijr n LEU 24 CO 0.15 1.68 0.00 -3.20 -1.33 0.00 0.00 177.39 174.70 3ijr n ASN 26 N 1.48 0.00 -4.91 -1.43 5.15 -1.26 -5.08 115.26 109.21 3ijr n ASN 26 Ca 0.45 0.00 -0.28 0.00 -0.60 0.00 0.00 54.58 54.15 3ijr n ASN 26 Cb 0.69 0.00 0.06 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 2.53 0.23 1.20 0.04 -1.26 -4.38 135.00 133.35 3ijr s PRO 27 Ca 0.00 0.05 -0.31 0.00 0.04 0.00 0.00 61.00 60.78 3ijr s PRO 27 Cb 0.00 -2.13 -0.10 0.00 0.04 0.00 0.00 34.50 32.31 3ijr s PRO 27 CO 0.00 -1.09 1.54 -0.51 0.04 0.00 0.00 177.00 176.98 3ijr s LEU 28 N -5.25 4.37 0.25 -3.56 1.43 -1.26 -4.93 118.68 109.73 3ijr s LEU 28 Ca 0.58 2.73 -0.31 0.00 -1.03 0.00 0.00 54.13 56.11 3ijr s LEU 28 Cb -0.11 -3.61 -0.13 0.00 0.03 0.00 0.00 46.19 42.37 3ijr s LEU 28 CO 0.47 -0.81 1.46 -2.65 0.23 0.00 0.00 176.35 175.05 3ijr n PRO 29 N 2.94 2.21 -2.65 1.29 -0.02 -1.26 -4.91 135.00 132.61 3ijr n PRO 29 Ca 0.10 0.79 -0.43 0.00 -2.02 0.00 0.00 63.50 61.94 3ijr n PRO 29 Cb 0.39 -2.48 -0.03 0.00 -0.02 0.00 0.00 33.50 31.36 3ijr n PRO 29 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3ijr s GLN 30 N -0.45 3.60 0.00 -0.52 -0.21 -1.26 -4.84 119.66 115.98 3ijr s GLN 30 Ca 0.67 0.35 0.21 0.00 0.02 0.00 0.00 55.36 56.61 3ijr s GLN 30 Cb -0.61 -3.95 0.18 0.00 1.00 0.00 0.00 33.01 29.63 3ijr s GLN 30 CO 0.49 -1.45 1.19 1.97 -2.12 0.00 0.00 175.29 175.37 3ijr n PHE 31 N 7.88 0.02 -3.76 0.91 1.16 -1.26 -2.35 117.46 120.06 3ijr n PHE 31 Ca 0.09 -0.01 -0.13 0.00 -1.87 0.00 0.00 57.45 55.53 3ijr n PHE 31 Cb 0.49 -0.00 -0.14 0.00 -1.61 0.00 0.00 39.48 38.22 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 -1.77 0.13 -0.28 3.97 2.12 -1.26 -4.20 118.70 117.41 3ijr s GLU 32 Ca 0.26 0.35 -0.19 0.00 0.36 0.00 0.00 54.97 55.75 3ijr s GLU 32 Cb 0.18 -0.11 -0.02 0.00 0.26 0.00 0.00 34.13 34.44 3ijr s GLU 32 CO 0.27 -0.13 0.58 0.34 -0.54 0.00 0.00 175.26 175.78 3ijr s ASP 33 N 0.91 6.48 0.52 -1.70 -1.08 -1.26 -4.95 116.67 115.59 3ijr s ASP 33 Ca -0.07 0.52 0.21 0.00 -0.52 0.00 0.00 52.55 52.69 3ijr s ASP 33 Cb -0.09 -2.31 1.37 0.00 -1.46 0.00 0.00 42.92 40.44 3ijr s ASP 33 CO -0.05 -0.37 2.12 -0.65 0.52 0.00 0.00 175.17 176.74 3ijr h PRO 34 N 8.05 0.00 0.00 4.34 0.11 -2.03 -2.14 132.00 140.34 3ijr h PRO 34 Ca -0.28 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.81 3ijr h PRO 34 Cb 1.13 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 3ijr h PRO 34 CO 0.76 0.07 -0.13 -0.91 -0.21 0.00 0.00 178.00 177.57 3ijr h ASN 35 N 0.00 0.00 -1.84 -2.05 2.35 -2.07 -3.46 115.58 108.51 3ijr h ASN 35 Ca -0.00 0.00 -0.66 0.00 -0.55 0.00 0.00 56.30 55.08 3ijr h ASN 35 Cb 0.14 0.00 0.03 0.00 0.05 0.00 0.00 38.32 38.54 3ijr h ASN 35 CO 0.01 0.13 0.91 0.00 -1.65 0.00 0.00 177.43 176.83 3ijr n TYR 36 N -3.16 2.12 -4.25 1.19 9.36 -0.81 -4.94 117.16 116.68 3ijr n TYR 36 Ca 0.02 0.30 -0.34 0.00 3.32 0.00 0.00 57.90 61.21 3ijr n TYR 36 Cb 0.52 -2.54 -0.15 0.00 -0.63 0.00 0.00 39.34 36.55 3ijr n TYR 36 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 3ijr s LYS 37 N 3.07 3.28 0.74 2.98 1.02 -1.26 -5.04 119.74 124.53 3ijr s LYS 37 Ca 0.92 -0.70 -0.11 0.00 0.02 0.00 0.00 55.97 56.10 3ijr s LYS 37 Cb -0.86 -2.78 0.03 0.00 -0.52 0.00 0.00 37.83 33.71 3ijr s LYS 37 CO 0.55 -0.07 1.10 0.20 -0.92 0.00 0.00 175.35 176.21 3ijr s GLY 38 N 1.07 1.63 -0.27 -3.33 0.00 -1.26 -5.02 107.32 100.14 3ijr s GLY 38 Ca 0.00 -0.30 0.17 0.00 0.00 0.00 0.00 44.72 44.59 3ijr s GLY 38 CO -0.03 0.09 1.32 -1.14 0.00 0.00 0.00 173.10 173.34 3ijr n SER 39 N -3.16 -0.08 -2.07 1.64 3.41 -1.26 -4.99 113.62 107.10 3ijr n SER 39 Ca 0.07 -2.11 -0.21 0.00 -0.26 0.00 0.00 58.87 56.36 3ijr n SER 39 Cb 0.57 0.14 -0.04 0.00 -0.26 0.00 0.00 64.21 64.62 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 -0.95 -1.60 0.29 4.33 1.02 -1.26 -4.87 120.64 117.59 3ijr n GLU 40 Ca -0.07 1.09 0.15 0.00 -0.02 0.00 0.00 57.16 58.30 3ijr n GLU 40 Cb 0.85 -5.63 0.89 0.00 -0.02 0.00 0.00 31.44 27.53 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 -1.90 -2.58 116.57 117.14 3ijr h LYS 41 Ca -0.46 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.29 3ijr h LYS 41 Cb 1.35 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.60 3ijr h LYS 41 CO 0.59 0.00 -0.41 1.28 -0.57 0.00 0.00 179.45 180.34 3ijr n LEU 42 N -3.91 1.54 -4.57 2.94 4.77 0.14 -4.56 117.00 113.34 3ijr n LEU 42 Ca -0.03 -2.49 -0.57 0.00 -0.03 0.00 0.00 56.01 52.90 3ijr n LEU 42 Cb 0.09 -0.26 -0.08 0.00 -2.33 0.00 0.00 43.42 40.84 3ijr n LEU 42 CO 0.28 0.69 1.51 1.17 -1.33 0.00 0.00 177.39 179.71 3ijr n LYS 43 N -0.65 0.87 -0.78 3.23 4.81 -0.02 -1.10 118.16 124.53 3ijr n LYS 43 Ca 0.10 0.29 0.00 0.00 -0.87 0.00 0.00 58.31 57.84 3ijr n LYS 43 Cb 0.75 -2.07 0.00 0.00 0.02 0.00 0.00 35.03 33.74 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 5.35 1.12 3.80 3.14 0.00 0.10 -4.91 105.19 113.79 3ijr n GLY 44 Ca 0.35 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.13 3.51 -0.19 1.61 -0.14 -0.26 -4.78 119.74 119.36 3ijr s LYS 45 Ca 0.00 1.30 -0.02 0.00 -1.36 0.00 0.00 55.97 55.89 3ijr s LYS 45 Cb 0.00 -2.05 -0.01 0.00 -1.68 0.00 0.00 37.83 34.09 3ijr s LYS 45 CO 0.00 -0.67 -0.08 -0.80 -0.76 0.00 0.00 175.35 173.04 3ijr s ASN 46 N -2.38 4.09 -0.02 2.83 0.01 -1.26 0.57 114.94 118.78 3ijr s ASN 46 Ca 0.66 -0.40 0.07 0.00 -0.71 0.00 0.00 52.86 52.47 3ijr s ASN 46 Cb -0.17 -1.68 -0.02 0.00 0.41 0.00 0.00 41.25 39.80 3ijr s ASN 46 CO 0.29 0.03 -0.22 -0.69 -1.51 0.00 0.00 177.10 175.00 3ijr s VAL 47 N 1.16 1.78 -0.21 1.60 1.01 0.83 -0.10 120.40 126.47 3ijr s VAL 47 Ca 0.02 -0.96 -0.02 0.00 0.00 0.00 0.00 61.98 61.01 3ijr s VAL 47 Cb -0.14 -1.49 0.00 0.00 0.00 0.00 0.00 36.38 34.75 3ijr s VAL 47 CO -0.02 0.50 -0.10 -0.22 0.00 0.00 0.00 175.10 175.26 3ijr s LEU 48 N -0.47 2.64 -0.16 3.92 2.96 -0.39 0.71 118.68 127.89 3ijr s LEU 48 Ca 0.07 -0.48 0.01 0.00 -0.22 0.00 0.00 54.13 53.51 3ijr s LEU 48 Cb -0.09 -1.65 0.02 0.00 0.50 0.00 0.00 46.19 44.97 3ijr s LEU 48 CO -0.00 -0.01 -0.16 -0.51 -1.32 0.00 0.00 176.35 174.35 3ijr s ILE 49 N 1.40 1.74 -0.04 6.68 2.07 -0.57 -0.23 121.20 132.25 3ijr s ILE 49 Ca 0.05 -0.77 -0.25 0.00 -1.41 0.00 0.00 60.65 58.28 3ijr s ILE 49 Cb -0.14 -1.62 -0.04 0.00 0.13 0.00 0.00 42.46 40.79 3ijr s ILE 49 CO -0.06 0.46 0.75 0.42 -1.91 0.00 0.00 174.94 174.59 3ijr s THR 50 N 1.41 4.99 -0.17 4.00 -4.23 -0.54 -1.46 115.64 119.64 3ijr s THR 50 Ca 0.04 1.55 0.00 0.00 -1.18 0.00 0.00 61.69 62.11 3ijr s THR 50 Cb -0.13 -4.09 0.00 0.00 1.34 0.00 0.00 72.50 69.62 3ijr s THR 50 CO -0.11 0.25 0.00 0.61 -0.54 0.00 0.00 174.62 174.83 3ijr n GLY 51 N 3.00 0.41 0.11 3.99 0.00 0.19 -2.77 105.19 110.12 3ijr n GLY 51 Ca -0.00 -0.92 0.07 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.95 -0.74 0.14 -0.02 0.00 -1.14 -4.00 105.19 97.48 3ijr n GLY 52 Ca -0.02 -0.14 0.04 0.00 0.00 0.00 0.00 46.02 45.90 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 0.40 0.00 -5.34 1.61 2.03 -1.81 -3.11 116.42 110.20 3ijr h ASP 53 Ca 0.00 0.00 -0.18 0.00 -0.73 0.00 0.00 57.03 56.12 3ijr h ASP 53 Cb 0.09 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 38.53 3ijr h ASP 53 CO 0.00 0.39 -0.05 -0.94 -1.03 0.00 0.00 179.24 177.62 3ijr s SER 54 N -6.21 0.56 0.59 4.15 1.04 -1.26 -4.09 113.70 108.48 3ijr s SER 54 Ca 0.03 -1.33 0.00 0.00 0.48 0.00 0.00 55.95 55.13 3ijr s SER 54 Cb 0.07 0.71 0.00 0.00 0.10 0.00 0.00 66.02 66.91 3ijr s SER 54 CO 0.75 -1.40 0.00 0.61 0.98 0.00 0.00 173.24 174.18 3ijr n GLY 55 N -0.54 2.48 0.23 7.32 0.00 -1.26 -1.54 105.19 111.88 3ijr n GLY 55 Ca -0.02 -0.16 -0.03 0.00 0.00 0.00 0.00 46.02 45.81 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 0.97 -0.08 -0.61 2.04 -1.90 -2.35 117.51 115.58 3ijr h ILE 56 Ca 0.00 -0.21 -0.02 0.00 1.00 0.00 0.00 64.86 65.64 3ijr h ILE 56 Cb 0.00 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.39 3ijr h ILE 56 CO 0.00 0.11 -0.02 1.23 0.00 0.00 0.00 178.15 179.47 3ijr h GLY 57 N 0.60 0.12 1.24 5.37 0.00 -1.54 -0.94 103.07 107.92 3ijr h GLY 57 Ca 0.26 -0.05 -0.19 0.00 0.00 0.00 0.00 47.33 47.35 3ijr h GLY 57 CO -0.17 0.05 -0.61 -0.09 0.00 0.00 0.00 176.54 175.72 3ijr h ARG 58 N 0.11 0.79 -0.53 4.80 2.43 -0.76 -1.17 114.38 120.06 3ijr h ARG 58 Ca 0.03 -0.54 -0.04 0.00 -0.81 0.00 0.00 59.98 58.62 3ijr h ARG 58 Cb 0.12 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.73 3ijr h ARG 58 CO 0.00 1.16 0.16 0.00 -1.51 0.00 0.00 179.97 179.79 3ijr h ALA 59 N 0.72 0.69 -0.43 2.80 0.00 -1.01 -2.16 119.26 119.87 3ijr h ALA 59 Ca -0.00 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.61 3ijr h ALA 59 Cb 1.21 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 3ijr h ALA 59 CO 0.13 0.36 -0.12 0.28 0.00 0.00 0.00 179.25 179.90 3ijr h VAL 60 N 0.73 1.27 -0.18 0.00 2.07 -1.15 -0.65 116.25 118.34 3ijr h VAL 60 Ca 0.17 -1.23 0.03 0.00 0.82 0.00 0.00 66.70 66.49 3ijr h VAL 60 Cb 0.29 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 3ijr h VAL 60 CO -0.00 0.42 0.01 0.28 0.02 0.00 0.00 177.57 178.30 3ijr h SER 61 N 0.66 -0.04 -0.34 0.57 0.02 -1.08 0.46 113.55 113.81 3ijr h SER 61 Ca 0.11 0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 61.06 3ijr h SER 61 Cb 0.65 0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.24 3ijr h SER 61 CO 0.04 0.01 0.10 0.40 -1.14 0.00 0.00 176.83 176.24 3ijr h ILE 62 N 0.08 1.21 -0.86 3.27 2.04 -1.33 -0.64 117.51 121.28 3ijr h ILE 62 Ca 0.08 -0.68 -0.03 0.00 1.00 0.00 0.00 64.86 65.23 3ijr h ILE 62 Cb 0.09 1.02 -0.04 0.00 -0.74 0.00 0.00 36.82 37.16 3ijr h ILE 62 CO -0.13 0.23 0.42 0.00 0.00 0.00 0.00 178.15 178.67 3ijr h ALA 63 N 0.94 1.12 -0.60 1.87 0.00 -0.90 -0.83 119.26 120.86 3ijr h ALA 63 Ca 0.11 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 3ijr h ALA 63 Cb 0.26 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3ijr h ALA 63 CO -0.00 0.67 0.03 0.74 0.00 0.00 0.00 179.25 180.68 3ijr h PHE 64 N 1.22 1.10 -0.43 0.00 -1.00 -0.73 -2.01 116.94 115.09 3ijr h PHE 64 Ca 0.30 -0.17 -0.00 0.00 2.81 0.00 0.00 57.97 60.90 3ijr h PHE 64 Cb 0.11 -0.29 -0.02 0.00 3.61 0.00 0.00 35.95 39.35 3ijr h PHE 64 CO 0.01 0.96 0.25 0.00 -1.61 0.00 0.00 178.31 177.93 3ijr h ALA 65 N 1.08 0.54 0.00 2.45 0.00 -0.56 -1.11 119.26 121.66 3ijr h ALA 65 Ca 0.17 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3ijr h ALA 65 Cb 0.51 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 3ijr h ALA 65 CO 0.02 0.04 -0.01 0.87 0.00 0.00 0.00 179.25 180.17 3ijr h LYS 66 N 0.56 0.00 -0.49 0.00 1.57 -0.81 0.94 116.57 118.34 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 0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 3ijr h LYS 66 CO -0.03 0.01 0.00 0.39 -0.57 0.00 0.00 179.45 179.25 3ijr n GLU 67 N -4.13 2.22 -0.59 3.15 -0.58 -0.56 -4.43 120.64 115.72 3ijr n GLU 67 Ca -0.03 -1.52 0.00 0.00 -0.42 0.00 0.00 57.16 55.19 3ijr n GLU 67 Cb 0.10 -1.46 0.00 0.00 -0.57 0.00 0.00 31.44 29.51 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 0.96 0.71 3.84 0.62 0.00 0.32 -0.69 105.19 110.96 3ijr n GLY 68 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.11 3.36 -0.00 4.61 0.00 -0.53 -0.72 121.76 126.37 3ijr s ALA 69 Ca 0.00 0.04 -0.19 0.00 0.00 0.00 0.00 51.96 51.82 3ijr s ALA 69 Cb 0.00 -2.75 -0.06 0.00 0.00 0.00 0.00 23.12 20.31 3ijr s ALA 69 CO 0.00 0.35 0.53 -0.80 0.00 0.00 0.00 175.76 175.83 3ijr s ASN 70 N -2.15 6.92 -0.11 0.00 0.01 0.19 -4.21 114.94 115.59 3ijr s ASN 70 Ca 0.51 1.09 0.02 0.00 -0.71 0.00 0.00 52.86 53.77 3ijr s ASN 70 Cb -0.12 -2.33 0.01 0.00 0.41 0.00 0.00 41.25 39.23 3ijr s ASN 70 CO 0.18 0.18 -0.17 -0.63 -1.51 0.00 0.00 177.10 175.16 3ijr s ILE 71 N -0.51 1.64 -0.27 0.60 -1.09 -0.76 -0.12 121.20 120.69 3ijr s ILE 71 Ca 0.28 -0.73 -0.09 0.00 -2.23 0.00 0.00 60.65 57.88 3ijr s ILE 71 Cb -0.18 -1.48 -0.04 0.00 -1.58 0.00 0.00 42.46 39.19 3ijr s ILE 71 CO 0.16 0.47 0.13 0.00 -1.23 0.00 0.00 174.94 174.47 3ijr s ALA 72 N 0.92 3.34 -0.27 9.38 0.00 0.22 -0.94 121.76 134.41 3ijr s ALA 72 Ca -0.07 -1.12 -0.07 0.00 0.00 0.00 0.00 51.96 50.70 3ijr s ALA 72 Cb -0.15 -2.29 -0.01 0.00 0.00 0.00 0.00 23.12 20.68 3ijr s ALA 72 CO -0.01 -0.54 0.07 0.42 0.00 0.00 0.00 175.76 175.70 3ijr s ILE 73 N 1.69 4.03 -0.05 0.00 1.01 0.91 -1.51 121.20 127.29 3ijr s ILE 73 Ca 0.07 -0.49 -0.04 0.00 0.00 0.00 0.00 60.65 60.18 3ijr s ILE 73 Cb -0.16 -2.99 -0.04 0.00 0.01 0.00 0.00 42.46 39.28 3ijr s ILE 73 CO 0.07 0.20 0.17 0.00 0.00 0.00 0.00 174.94 175.38 3ijr s ALA 74 N 1.54 3.93 0.27 9.38 0.00 -0.53 -0.58 121.76 135.76 3ijr s ALA 74 Ca 0.04 -0.72 -0.21 0.00 0.00 0.00 0.00 51.96 51.07 3ijr s ALA 74 Cb -0.16 -1.91 0.04 0.00 0.00 0.00 0.00 23.12 21.09 3ijr s ALA 74 CO 0.02 0.71 0.81 1.52 0.00 0.00 0.00 175.76 178.82 3ijr s TYR 75 N -1.23 -0.09 -0.01 0.00 -0.85 -1.14 0.54 117.35 114.57 3ijr s TYR 75 Ca 0.23 -0.39 -0.00 0.00 -0.52 0.00 0.00 57.07 56.39 3ijr s TYR 75 Cb -0.12 0.72 -0.00 0.00 0.38 0.00 0.00 41.96 42.94 3ijr s TYR 75 CO 0.14 -1.20 -0.00 1.25 -1.52 0.00 0.00 175.55 174.21 3ijr h LEU 76 N 2.00 0.00 -0.75 -3.49 5.85 -1.89 -0.93 115.31 116.10 3ijr h LEU 76 Ca -0.24 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.48 3ijr h LEU 76 Cb 1.24 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.27 3ijr h LEU 76 CO 0.28 0.07 -0.07 -0.90 -0.34 0.00 0.00 178.44 177.49 3ijr n ASP 77 N -2.39 0.00 -3.63 1.25 5.68 -1.26 -1.59 116.55 114.61 3ijr n ASP 77 Ca -0.00 -1.13 -0.41 0.00 -0.50 0.00 0.00 54.79 52.74 3ijr n ASP 77 Cb 0.01 -0.03 -0.01 0.00 -1.14 0.00 0.00 41.12 39.95 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 3.54 -0.33 0.11 4.71 -1.26 -4.77 120.64 122.63 3ijr n GLU 78 Ca 0.00 -2.91 0.12 0.00 -0.01 0.00 0.00 57.16 54.36 3ijr n GLU 78 Cb 0.53 -2.97 0.30 0.00 -1.01 0.00 0.00 31.44 28.28 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 5.48 0.66 -0.39 3.49 4.39 -1.98 -0.21 114.58 126.02 3ijr h GLU 79 Ca 0.61 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 60.24 3ijr h GLU 79 Cb 0.50 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.99 3ijr h GLU 79 CO 1.73 0.44 0.13 0.78 -1.16 0.00 0.00 179.01 180.92 3ijr h GLY 80 N 0.68 0.65 0.91 -3.84 0.00 -1.99 0.17 103.07 99.65 3ijr h GLY 80 Ca 0.55 -0.38 -0.07 0.00 0.00 0.00 0.00 47.33 47.43 3ijr h GLY 80 CO -0.40 0.35 -0.08 -0.55 0.00 0.00 0.00 176.54 175.87 3ijr h ASP 81 N 0.48 0.63 -0.41 0.19 3.32 -1.69 -1.96 116.42 116.98 3ijr h ASP 81 Ca 0.13 -0.36 -0.07 0.00 0.02 0.00 0.00 57.03 56.74 3ijr h ASP 81 Cb 0.25 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 3ijr h ASP 81 CO -0.00 0.85 0.01 0.00 -1.72 0.00 0.00 179.24 178.37 3ijr h ALA 82 N 0.80 1.10 -0.02 3.45 0.00 -0.93 -0.41 119.26 123.26 3ijr h ALA 82 Ca 0.08 -0.26 -0.21 0.00 0.00 0.00 0.00 54.91 54.52 3ijr h ALA 82 Cb 0.57 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 3ijr h ALA 82 CO 0.03 0.57 -0.88 -2.95 0.00 0.00 0.00 179.25 176.02 3ijr h ASN 83 N 0.75 0.51 -0.57 0.00 7.08 -0.97 -1.26 115.58 121.12 3ijr h ASN 83 Ca 0.15 -0.39 -0.03 0.00 -3.08 0.00 0.00 56.30 52.95 3ijr h ASN 83 Cb 0.44 -0.15 -0.03 0.00 -2.08 0.00 0.00 38.32 36.51 3ijr h ASN 83 CO 0.02 1.17 0.24 -0.08 -2.08 0.00 0.00 177.43 176.70 3ijr h GLU 84 N 0.24 0.84 -0.72 4.14 4.81 -1.14 -1.34 114.58 121.41 3ijr h GLU 84 Ca -0.06 -0.15 -0.05 0.00 -0.13 0.00 0.00 59.36 58.97 3ijr h GLU 84 Cb 1.50 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 30.71 3ijr h GLU 84 CO 0.15 0.72 0.27 1.15 -0.73 0.00 0.00 179.01 180.57 3ijr h THR 85 N 0.78 1.25 -0.92 0.32 2.02 -1.03 -2.51 112.91 112.82 3ijr h THR 85 Ca 0.19 -0.82 0.08 0.00 0.77 0.00 0.00 66.41 66.63 3ijr h THR 85 Cb 0.18 0.44 -0.06 0.00 -1.74 0.00 0.00 68.15 66.97 3ijr h THR 85 CO -0.02 0.33 0.59 0.50 0.37 0.00 0.00 175.52 177.29 3ijr h LYS 86 N 1.03 0.96 -0.58 6.66 3.64 -0.74 -0.82 116.57 126.73 3ijr h LYS 86 Ca 0.24 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.50 3ijr h LYS 86 Cb 0.24 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 3ijr h LYS 86 CO -0.02 0.64 0.12 1.96 -2.27 0.00 0.00 179.45 179.88 3ijr h GLN 87 N 0.99 0.95 -0.57 1.90 1.08 -0.82 -1.46 115.11 117.18 3ijr h GLN 87 Ca 0.41 -0.24 -0.11 0.00 -1.45 0.00 0.00 58.65 57.26 3ijr h GLN 87 Cb 0.28 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.58 3ijr h GLN 87 CO -0.17 0.89 -0.07 1.88 -0.95 0.00 0.00 178.83 180.42 3ijr h TYR 88 N 0.85 1.16 0.42 2.96 0.05 -1.16 -2.59 116.97 118.66 3ijr h TYR 88 Ca 0.18 -0.23 -0.02 0.00 0.05 0.00 0.00 58.73 58.71 3ijr h TYR 88 Cb 0.39 -0.29 0.00 0.00 1.01 0.00 0.00 36.73 37.84 3ijr h TYR 88 CO 0.03 1.05 -0.20 0.28 -1.05 0.00 0.00 178.16 178.27 3ijr h VAL 89 N 0.94 0.59 0.00 -2.88 2.07 -0.95 -3.12 116.25 112.90 3ijr h VAL 89 Ca 0.15 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 3ijr h VAL 89 Cb 0.64 0.69 -0.00 0.00 -1.52 0.00 0.00 31.29 31.09 3ijr h VAL 89 CO 0.04 0.04 -0.10 -0.33 0.02 0.00 0.00 177.57 177.24 3ijr h GLU 90 N -0.68 0.00 -0.14 1.57 5.08 -1.32 -1.37 114.58 117.73 3ijr h GLU 90 Ca -0.06 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.34 3ijr h GLU 90 Cb 0.49 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 3ijr h GLU 90 CO 0.09 0.10 0.24 -0.22 -1.00 0.00 0.00 179.01 178.23 3ijr h LYS 91 N 0.00 0.00 -0.01 2.33 3.64 -1.39 0.12 116.57 121.26 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 0.20 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 3ijr h LYS 91 CO 0.01 0.00 -0.00 -1.91 -2.27 0.00 0.00 179.45 175.28 3ijr n GLU 92 N -3.44 1.55 -1.11 1.90 4.07 -0.52 -4.94 120.64 118.14 3ijr n GLU 92 Ca 0.01 -0.81 0.00 0.00 -0.06 0.00 0.00 57.16 56.30 3ijr n GLU 92 Cb 0.35 -1.48 0.00 0.00 -0.06 0.00 0.00 31.44 30.24 3ijr n GLU 92 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3ijr n GLY 93 N 1.15 0.65 3.57 8.31 0.00 0.41 -4.94 105.19 114.34 3ijr n GLY 93 Ca 0.20 -0.75 -0.26 0.00 0.00 0.00 0.00 46.02 45.20 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 1.83 0.41 1.61 -7.23 -1.26 -5.09 120.40 108.68 3ijr s VAL 94 Ca 0.00 -2.03 -0.10 0.00 -1.81 0.00 0.00 61.98 58.04 3ijr s VAL 94 Cb 0.00 -2.89 -0.06 0.00 0.56 0.00 0.00 36.38 33.98 3ijr s VAL 94 CO 0.00 -0.04 0.78 -0.75 -0.31 0.00 0.00 175.10 174.78 3ijr s LYS 95 N -3.74 3.77 -0.03 4.82 2.20 -1.26 -4.30 119.74 121.20 3ijr s LYS 95 Ca 0.35 0.47 0.01 0.00 -0.36 0.00 0.00 55.97 56.44 3ijr s LYS 95 Cb 0.09 -2.38 0.02 0.00 -1.51 0.00 0.00 37.83 34.04 3ijr s LYS 95 CO 0.17 -0.06 -0.03 0.00 -0.36 0.00 0.00 175.35 175.07 3ijr s VAL 97 N 0.65 1.99 -0.19 0.00 1.01 -0.11 -5.00 120.40 118.75 3ijr s VAL 97 Ca -0.08 -0.97 -0.08 0.00 0.00 0.00 0.00 61.98 60.85 3ijr s VAL 97 Cb -0.11 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 3ijr s VAL 97 CO -0.00 0.54 0.07 -0.76 0.00 0.00 0.00 175.10 174.95 3ijr s LEU 98 N 0.40 3.83 -0.53 3.92 1.43 -1.26 -0.06 118.68 126.41 3ijr s LEU 98 Ca -0.18 0.07 0.04 0.00 -1.03 0.00 0.00 54.13 53.03 3ijr s LEU 98 Cb -0.18 -1.98 0.16 0.00 0.03 0.00 0.00 46.19 44.23 3ijr s LEU 98 CO 0.08 0.16 0.37 -0.76 0.23 0.00 0.00 176.35 176.42 3ijr s LEU 99 N 0.48 3.10 0.75 1.79 1.43 0.25 -4.95 118.68 121.52 3ijr s LEU 99 Ca 0.04 -3.24 -0.11 0.00 -1.03 0.00 0.00 54.13 49.79 3ijr s LEU 99 Cb -0.13 -1.07 0.04 0.00 0.03 0.00 0.00 46.19 45.06 3ijr s LEU 99 CO 0.01 -0.17 1.08 -2.16 0.23 0.00 0.00 176.35 175.34 3ijr s PRO 100 N -0.43 2.49 0.00 1.29 0.04 -1.26 -2.86 135.00 134.27 3ijr s PRO 100 Ca 0.25 0.83 0.00 0.00 0.04 0.00 0.00 61.00 62.12 3ijr s PRO 100 Cb -0.08 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.51 3ijr s PRO 100 CO -0.13 -1.38 0.00 0.41 0.04 0.00 0.00 177.00 175.94 3ijr n GLY 101 N -1.97 4.30 3.51 0.56 0.00 -0.35 -4.87 105.19 106.37 3ijr n GLY 101 Ca 0.07 -1.50 -0.43 0.00 0.00 0.00 0.00 46.02 44.17 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 6.34 0.00 1.61 -1.08 -1.26 -3.85 116.67 118.43 3ijr s ASP 102 Ca 0.00 -0.38 0.12 0.00 -0.52 0.00 0.00 52.55 51.77 3ijr s ASP 102 Cb 0.00 -2.38 0.70 0.00 -1.46 0.00 0.00 42.92 39.78 3ijr s ASP 102 CO 0.00 -1.00 1.40 0.18 0.52 0.00 0.00 175.17 176.27 3ijr n LEU 103 N 6.82 0.00 -0.01 -1.34 4.77 -1.26 -2.57 117.00 123.41 3ijr n LEU 103 Ca -0.00 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.12 3ijr n LEU 103 Cb 0.47 0.00 0.65 0.00 -2.33 0.00 0.00 43.42 42.21 3ijr n LEU 103 CO 0.59 0.00 0.95 -1.54 -1.33 0.00 0.00 177.39 176.06 3ijr n SER 104 N -0.70 0.05 -4.68 -1.43 3.41 -1.26 -4.57 113.62 104.45 3ijr n SER 104 Ca 0.09 0.18 -0.37 0.00 -0.26 0.00 0.00 58.87 58.51 3ijr n SER 104 Cb 0.04 -0.37 -0.08 0.00 -0.26 0.00 0.00 64.21 63.54 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 -2.82 6.26 0.13 4.04 2.15 -1.06 -4.90 116.67 120.47 3ijr s ASP 105 Ca 0.20 0.29 -0.19 0.00 0.43 0.00 0.00 52.55 53.27 3ijr s ASP 105 Cb 0.19 -2.15 -0.01 0.00 -0.30 0.00 0.00 42.92 40.65 3ijr s ASP 105 CO 0.51 0.04 1.71 -0.08 -0.17 0.00 0.00 175.17 177.18 3ijr h GLU 106 N 7.28 0.04 -0.57 4.34 4.81 -1.89 -2.19 114.58 126.41 3ijr h GLU 106 Ca -0.38 -0.00 0.06 0.00 -0.13 0.00 0.00 59.36 58.90 3ijr h GLU 106 Cb 1.16 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.48 3ijr h GLU 106 CO 0.70 0.02 0.29 0.37 -0.73 0.00 0.00 179.01 179.66 3ijr h GLN 107 N 0.04 0.53 -0.45 1.92 5.75 -1.95 -1.09 115.11 119.86 3ijr h GLN 107 Ca 0.11 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.58 3ijr h GLN 107 Cb 0.15 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.56 3ijr h GLN 107 CO -0.20 0.35 0.29 1.25 -2.65 0.00 0.00 178.83 177.87 3ijr h HIS 108 N 0.54 0.57 -0.73 3.99 2.76 -1.75 0.19 115.15 120.73 3ijr h HIS 108 Ca 0.26 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.42 3ijr h HIS 108 Cb 0.18 -0.19 -0.03 0.00 1.55 0.00 0.00 27.41 28.92 3ijr h HIS 108 CO -0.10 0.36 0.36 0.00 -1.30 0.00 0.00 177.93 177.25 3ijr h LYS 110 N 1.02 0.81 -0.84 0.00 1.57 -0.36 -3.28 116.57 115.49 3ijr h LYS 110 Ca 0.25 -0.58 -0.01 0.00 -1.87 0.00 0.00 60.65 58.44 3ijr h LYS 110 Cb 0.09 0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.45 3ijr h LYS 110 CO -0.03 1.20 0.47 -0.44 -0.57 0.00 0.00 179.45 180.08 3ijr h ASP 111 N 0.59 1.04 -0.19 0.86 3.32 -0.23 -2.38 116.42 119.43 3ijr h ASP 111 Ca -0.02 -0.09 -0.06 0.00 0.02 0.00 0.00 57.03 56.88 3ijr h ASP 111 Cb 1.27 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.54 3ijr h ASP 111 CO 0.14 0.83 -0.07 0.16 -1.72 0.00 0.00 179.24 178.58 3ijr h ILE 112 N 1.17 1.22 -0.33 0.35 3.07 -1.34 0.12 117.51 121.77 3ijr h ILE 112 Ca 0.30 -0.93 -0.16 0.00 1.55 0.00 0.00 64.86 65.62 3ijr h ILE 112 Cb 0.01 1.05 -0.01 0.00 -0.27 0.00 0.00 36.82 37.61 3ijr h ILE 112 CO -0.05 0.31 -0.43 0.58 -1.05 0.00 0.00 178.15 177.51 3ijr h VAL 113 N 0.50 1.28 -0.40 0.16 2.07 -1.59 -0.32 116.25 117.94 3ijr h VAL 113 Ca 0.10 -1.61 -0.07 0.00 0.82 0.00 0.00 66.70 65.94 3ijr h VAL 113 Cb 0.43 1.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 3ijr h VAL 113 CO 0.02 0.53 -0.02 -0.61 0.02 0.00 0.00 177.57 177.51 3ijr h GLN 114 N 0.67 0.73 -0.29 1.57 4.15 -0.89 -2.46 115.11 118.59 3ijr h GLN 114 Ca 0.05 -0.24 -0.03 0.00 0.77 0.00 0.00 58.65 59.19 3ijr h GLN 114 Cb 1.01 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.63 3ijr h GLN 114 CO 0.10 0.83 0.07 1.49 -1.93 0.00 0.00 178.83 179.38 3ijr h GLU 115 N 0.55 0.46 -0.55 1.69 4.57 -0.73 0.56 114.58 121.12 3ijr h GLU 115 Ca 0.11 -0.11 0.06 0.00 -1.18 0.00 0.00 59.36 58.24 3ijr h GLU 115 Cb 0.51 -0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 28.99 3ijr h GLU 115 CO 0.03 0.54 0.25 1.15 -1.18 0.00 0.00 179.01 179.79 3ijr h THR 116 N 0.30 0.89 -0.29 0.32 2.02 -1.02 0.36 112.91 115.47 3ijr h THR 116 Ca 0.09 -0.16 -0.15 0.00 0.77 0.00 0.00 66.41 66.96 3ijr h THR 116 Cb 0.29 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 3ijr h THR 116 CO 0.00 0.09 -0.42 0.58 0.37 0.00 0.00 175.52 176.13 3ijr h VAL 117 N 0.47 1.29 0.12 3.16 2.07 -1.28 0.94 116.25 123.02 3ijr h VAL 117 Ca 0.26 -1.61 -0.01 0.00 0.82 0.00 0.00 66.70 66.16 3ijr h VAL 117 Cb 0.22 1.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 3ijr h VAL 117 CO -0.21 0.52 -0.06 -0.09 0.02 0.00 0.00 177.57 177.75 3ijr h ARG 118 N 0.59 -0.16 0.07 1.57 2.43 0.16 0.11 114.38 119.16 3ijr h ARG 118 Ca 0.04 0.01 -0.16 0.00 -0.81 0.00 0.00 59.98 59.07 3ijr h ARG 118 Cb 0.98 0.04 0.02 0.00 -0.42 0.00 0.00 29.97 30.58 3ijr h ARG 118 CO 0.09 -0.07 -0.66 1.96 -1.51 0.00 0.00 179.97 179.78 3ijr h GLN 119 N -0.21 0.32 0.00 0.20 1.08 -0.30 -3.35 115.11 112.85 3ijr h GLN 119 Ca -0.02 -0.44 0.00 0.00 -1.45 0.00 0.00 58.65 56.74 3ijr h GLN 119 Cb 0.16 0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.74 3ijr h GLN 119 CO 0.03 1.16 -0.72 -0.07 -0.95 0.00 0.00 178.83 178.28 3ijr h LEU 120 N -0.31 0.00 0.00 1.46 3.38 -0.92 -3.48 115.31 115.44 3ijr h LEU 120 Ca -0.10 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.75 3ijr h LEU 120 Cb 1.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.20 3ijr h LEU 120 CO 0.13 0.06 0.00 0.61 0.09 0.00 0.00 178.44 179.33 3ijr n GLY 121 N 1.26 3.31 3.81 0.83 0.00 0.37 -4.96 105.19 109.82 3ijr n GLY 121 Ca 0.02 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.71 -0.07 -0.05 1.61 1.04 -1.24 -4.90 113.70 109.39 3ijr s SER 122 Ca 0.00 -0.53 0.02 0.00 0.48 0.00 0.00 55.95 55.92 3ijr s SER 122 Cb 0.00 0.47 0.01 0.00 0.10 0.00 0.00 66.02 66.60 3ijr s SER 122 CO 0.00 -0.90 -0.09 -0.22 0.98 0.00 0.00 173.24 173.01 3ijr s LEU 123 N -3.20 1.60 -0.01 2.42 2.96 -1.26 -4.54 118.68 116.65 3ijr s LEU 123 Ca 0.18 -0.22 -0.00 0.00 -0.22 0.00 0.00 54.13 53.87 3ijr s LEU 123 Cb -0.02 -0.64 -0.00 0.00 0.50 0.00 0.00 46.19 46.03 3ijr s LEU 123 CO 0.03 0.02 -0.01 0.59 -1.32 0.00 0.00 176.35 175.67 3ijr n ASN 124 N 3.73 2.49 -4.00 3.68 4.13 0.86 -4.62 115.26 121.51 3ijr n ASN 124 Ca -0.22 0.00 -0.28 0.00 1.68 0.00 0.00 54.58 55.76 3ijr n ASN 124 Cb 0.52 -0.02 -0.17 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 -2.01 1.36 -0.21 2.41 1.01 -0.70 -1.68 121.20 121.38 3ijr s ILE 125 Ca -0.01 -0.53 -0.05 0.00 0.00 0.00 0.00 60.65 60.06 3ijr s ILE 125 Cb 0.00 -1.28 -0.02 0.00 0.01 0.00 0.00 42.46 41.17 3ijr s ILE 125 CO 0.02 0.42 -0.01 -0.22 0.00 0.00 0.00 174.94 175.15 3ijr s LEU 126 N 1.28 3.16 -0.33 2.97 2.96 -0.18 -1.26 118.68 127.29 3ijr s LEU 126 Ca -0.01 -0.26 -0.01 0.00 -0.22 0.00 0.00 54.13 53.63 3ijr s LEU 126 Cb -0.14 -1.81 0.07 0.00 0.50 0.00 0.00 46.19 44.82 3ijr s LEU 126 CO -0.05 0.03 0.05 -0.69 -1.32 0.00 0.00 176.35 174.36 3ijr s VAL 127 N 1.22 2.88 -0.30 1.68 1.01 0.68 -0.90 120.40 126.66 3ijr s VAL 127 Ca 0.03 -1.71 -0.25 0.00 0.00 0.00 0.00 61.98 60.05 3ijr s VAL 127 Cb -0.15 -2.80 0.00 0.00 0.00 0.00 0.00 36.38 33.44 3ijr s VAL 127 CO 0.01 -0.31 0.87 0.20 0.00 0.00 0.00 175.10 175.87 3ijr s ASN 128 N 1.33 6.76 0.00 3.32 0.01 -0.08 -1.47 114.94 124.81 3ijr s ASN 128 Ca -0.00 0.83 0.00 0.00 -0.71 0.00 0.00 52.86 52.98 3ijr s ASN 128 Cb -0.20 -2.45 0.00 0.00 0.41 0.00 0.00 41.25 39.01 3ijr s ASN 128 CO -0.03 -0.67 0.00 -3.20 -1.51 0.00 0.00 177.10 171.69 3ijr n ASN 129 N 6.34 0.00 -4.76 -1.22 2.85 -1.18 -0.75 115.26 116.53 3ijr n ASN 129 Ca 0.06 -0.67 -0.37 0.00 -0.11 0.00 0.00 54.58 53.49 3ijr n ASN 129 Cb 0.48 0.00 0.02 0.00 1.24 0.00 0.00 39.78 41.52 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 2.62 -0.12 3.44 -7.23 -1.11 -4.78 120.40 113.22 3ijr s VAL 130 Ca 0.00 0.45 -0.30 0.00 -1.81 0.00 0.00 61.98 60.32 3ijr s VAL 130 Cb 0.00 -3.21 0.11 0.00 0.56 0.00 0.00 36.38 33.84 3ijr s VAL 130 CO 0.00 -0.03 0.93 0.00 -0.31 0.00 0.00 175.10 175.69 3ijr s ALA 131 N -1.47 -1.89 0.10 1.32 0.00 -1.26 -4.66 121.76 113.90 3ijr s ALA 131 Ca 0.70 1.45 0.05 0.00 0.00 0.00 0.00 51.96 54.15 3ijr s ALA 131 Cb -0.33 -0.40 -0.04 0.00 0.00 0.00 0.00 23.12 22.35 3ijr s ALA 131 CO 0.39 -0.39 -0.12 -0.65 0.00 0.00 0.00 175.76 174.99 3ijr s GLN 132 N -1.48 0.90 -0.09 0.00 -0.21 -1.26 -4.98 119.66 112.54 3ijr s GLN 132 Ca -0.02 -1.16 -0.07 0.00 0.02 0.00 0.00 55.36 54.14 3ijr s GLN 132 Cb -0.00 -0.70 0.03 0.00 1.00 0.00 0.00 33.01 33.34 3ijr s GLN 132 CO 0.01 0.13 0.23 1.14 -2.12 0.00 0.00 175.29 174.67 3ijr s GLN 133 N -2.61 0.23 -0.42 2.91 -2.07 -1.26 -4.91 119.66 111.54 3ijr s GLN 133 Ca 0.06 0.39 0.02 0.00 -1.82 0.00 0.00 55.36 54.00 3ijr s GLN 133 Cb -0.05 0.03 0.13 0.00 -1.09 0.00 0.00 33.01 32.03 3ijr s GLN 133 CO 0.01 -0.08 0.21 0.71 -1.32 0.00 0.00 175.29 174.82 3ijr s TYR 134 N 0.55 2.08 0.47 9.60 2.02 -1.26 -4.79 117.35 126.02 3ijr s TYR 134 Ca -0.04 -2.40 -0.24 0.00 -0.37 0.00 0.00 57.07 54.03 3ijr s TYR 134 Cb -0.05 -1.96 -0.08 0.00 -0.40 0.00 0.00 41.96 39.47 3ijr s TYR 134 CO -0.03 -0.80 1.36 -0.35 -1.57 0.00 0.00 175.55 174.16 3ijr n PRO 135 N 3.73 1.99 -3.86 -1.71 -0.04 -1.26 -4.92 135.00 128.94 3ijr n PRO 135 Ca 0.07 0.72 -0.11 0.00 -0.04 0.00 0.00 63.50 64.13 3ijr n PRO 135 Cb 0.36 -2.54 -0.11 0.00 -0.04 0.00 0.00 33.50 31.17 3ijr n PRO 135 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 3ijr s GLN 136 N -2.50 0.37 0.16 0.54 -1.52 -0.41 -5.03 119.66 111.26 3ijr s GLN 136 Ca 0.64 -0.20 0.18 0.00 -1.95 0.00 0.00 55.36 54.04 3ijr s GLN 136 Cb -0.45 0.16 0.80 0.00 -0.22 0.00 0.00 33.01 33.29 3ijr s GLN 136 CO 0.55 -0.08 1.57 0.00 -0.25 0.00 0.00 175.29 177.08 3ijr n GLN 137 N 1.99 0.11 -3.69 2.91 10.64 -1.26 -4.41 117.38 123.66 3ijr n GLN 137 Ca -0.19 0.39 -0.00 0.00 -1.83 0.00 0.00 57.00 55.37 3ijr n GLN 137 Cb 0.57 -1.73 -0.01 0.00 -0.86 0.00 0.00 30.24 28.21 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 -3.32 -0.32 0.33 2.61 0.00 -1.26 -4.93 107.32 100.43 3ijr s GLY 138 Ca 0.04 0.43 0.02 0.00 0.00 0.00 0.00 44.72 45.21 3ijr s GLY 138 CO 0.30 0.48 1.93 -2.00 0.00 0.00 0.00 173.10 173.80 3ijr h LEU 139 N 2.00 0.68 -2.71 0.66 5.85 -1.90 -1.70 115.31 118.19 3ijr h LEU 139 Ca -0.28 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.37 3ijr h LEU 139 Cb 1.21 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.07 3ijr h LEU 139 CO 0.28 0.60 0.00 1.05 -0.34 0.00 0.00 178.44 180.03 3ijr h GLU 140 N 0.75 0.00 -0.47 1.25 9.09 -2.00 -1.80 114.58 121.41 3ijr h GLU 140 Ca 0.18 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.59 3ijr h GLU 140 Cb 0.12 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.22 3ijr h GLU 140 CO -0.02 0.00 0.00 0.66 0.05 0.00 0.00 179.01 179.70 3ijr n TYR 141 N -3.05 0.62 -3.61 2.06 4.02 -0.64 -4.80 117.16 111.75 3ijr n TYR 141 Ca -0.02 -0.31 -0.40 0.00 -0.01 0.00 0.00 57.90 57.15 3ijr n TYR 141 Cb 0.11 0.00 -0.11 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 -1.38 4.39 0.83 -0.72 1.01 -0.68 -4.97 121.20 119.69 3ijr s ILE 142 Ca 0.36 -1.05 -0.12 0.00 0.00 0.00 0.00 60.65 59.85 3ijr s ILE 142 Cb 0.19 -3.52 0.09 0.00 0.01 0.00 0.00 42.46 39.23 3ijr s ILE 142 CO 0.26 -0.31 1.10 0.42 0.00 0.00 0.00 174.94 176.41 3ijr s THR 143 N 1.50 2.87 0.28 2.92 -4.23 -1.26 -4.88 115.64 112.84 3ijr s THR 143 Ca 0.02 0.28 -0.00 0.00 -1.18 0.00 0.00 61.69 60.81 3ijr s THR 143 Cb -0.20 -2.99 0.12 0.00 1.34 0.00 0.00 72.50 70.77 3ijr s THR 143 CO 0.05 -0.37 1.78 0.00 -0.54 0.00 0.00 174.62 175.54 3ijr h ALA 144 N -1.21 1.16 -0.35 3.99 0.00 -1.98 -1.55 119.26 119.32 3ijr h ALA 144 Ca -0.48 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.18 3ijr h ALA 144 Cb 1.28 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 3ijr h ALA 144 CO 0.59 0.54 0.22 1.49 0.00 0.00 0.00 179.25 182.09 3ijr h GLU 145 N 0.67 0.46 -0.44 0.00 4.81 -1.99 0.69 114.58 118.79 3ijr h GLU 145 Ca 0.13 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.26 3ijr h GLU 145 Cb 0.43 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 3ijr h GLU 145 CO 0.02 0.33 0.01 0.37 -0.73 0.00 0.00 179.01 179.01 3ijr h GLN 146 N 0.46 0.76 -0.05 1.92 4.15 -1.89 -1.00 115.11 119.46 3ijr h GLN 146 Ca 0.13 -0.24 0.03 0.00 0.77 0.00 0.00 58.65 59.34 3ijr h GLN 146 Cb -0.02 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.57 3ijr h GLN 146 CO -0.03 0.83 -0.13 1.25 -1.93 0.00 0.00 178.83 178.82 3ijr h LEU 147 N 0.61 -0.39 -0.51 -2.39 5.85 -0.99 0.16 115.31 117.65 3ijr h LEU 147 Ca 0.12 0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.86 3ijr h LEU 147 Cb 0.48 0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 3ijr h LEU 147 CO 0.02 -0.18 0.10 -0.33 -0.34 0.00 0.00 178.44 177.72 3ijr h GLU 148 N -0.19 0.83 -0.12 1.25 5.08 -0.81 -1.90 114.58 118.72 3ijr h GLU 148 Ca 0.06 -0.21 0.02 0.00 -1.00 0.00 0.00 59.36 58.24 3ijr h GLU 148 Cb 0.28 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 3ijr h GLU 148 CO -0.17 0.81 -0.03 -0.22 -1.00 0.00 0.00 179.01 178.40 3ijr h LYS 149 N 0.71 0.00 -0.28 2.33 3.64 -0.91 0.76 116.57 122.82 3ijr h LYS 149 Ca 0.16 -0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.56 3ijr h LYS 149 Cb 0.36 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 3ijr h LYS 149 CO 0.01 0.00 0.14 1.15 -2.27 0.00 0.00 179.45 178.47 3ijr h THR 150 N 0.00 0.99 -0.50 1.00 2.02 -0.54 -2.74 112.91 113.14 3ijr h THR 150 Ca 0.06 -0.10 -0.10 0.00 0.77 0.00 0.00 66.41 67.04 3ijr h THR 150 Cb 0.09 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 67.15 3ijr h THR 150 CO -0.13 0.05 -0.08 -0.26 0.37 0.00 0.00 175.52 175.48 3ijr h PHE 151 N 0.29 1.00 -0.74 3.16 -1.00 -1.08 -1.09 116.94 117.48 3ijr h PHE 151 Ca 0.12 -0.18 0.03 0.00 2.81 0.00 0.00 57.97 60.75 3ijr h PHE 151 Cb 0.04 -0.26 -0.05 0.00 3.61 0.00 0.00 35.95 39.30 3ijr h PHE 151 CO -0.10 0.94 0.46 -0.09 -1.61 0.00 0.00 178.31 177.91 3ijr h ARG 152 N 0.82 0.88 0.12 1.51 2.43 -0.60 -0.81 114.38 118.73 3ijr h ARG 152 Ca 0.14 -0.05 -0.33 0.00 -0.81 0.00 0.00 59.98 58.92 3ijr h ARG 152 Cb 0.59 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 3ijr h ARG 152 CO 0.04 0.58 -1.76 0.97 -1.51 0.00 0.00 179.97 178.29 3ijr h ILE 153 N 0.91 0.88 0.03 1.20 6.09 -1.48 -1.74 117.51 123.40 3ijr h ILE 153 Ca 0.30 -2.56 -0.22 0.00 -1.37 0.00 0.00 64.86 61.00 3ijr h ILE 153 Cb 0.02 2.63 -0.01 0.00 0.47 0.00 0.00 36.82 39.93 3ijr h ILE 153 CO -0.11 0.81 -0.99 0.78 -3.07 0.00 0.00 178.15 175.57 3ijr h ASN 154 N 0.07 0.31 0.00 2.19 4.21 -1.16 -3.37 115.58 117.83 3ijr h ASN 154 Ca -0.33 -0.28 0.00 0.00 1.21 0.00 0.00 56.30 56.90 3ijr h ASN 154 Cb 2.04 -0.10 0.00 0.00 -1.12 0.00 0.00 38.32 39.15 3ijr h ASN 154 CO 0.13 1.12 -0.64 0.00 -1.29 0.00 0.00 177.43 176.76 3ijr n ILE 155 N -3.60 0.00 -0.36 2.81 0.13 -0.44 -4.56 119.36 113.34 3ijr n ILE 155 Ca -0.05 0.00 -0.01 0.00 -1.10 0.00 0.00 62.75 61.59 3ijr n ILE 155 Cb 0.88 -0.45 0.12 0.00 -0.84 0.00 0.00 39.64 39.35 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 1.18 -0.73 9.51 -1.00 -1.22 -1.41 116.94 123.28 3ijr h PHE 156 Ca 0.00 0.03 -0.04 0.00 2.81 0.00 0.00 57.97 60.76 3ijr h PHE 156 Cb 0.64 -0.40 -0.03 0.00 3.61 0.00 0.00 35.95 39.77 3ijr h PHE 156 CO 0.00 0.71 0.28 0.66 -1.61 0.00 0.00 178.31 178.35 3ijr h SER 157 N 1.25 1.00 -0.64 2.17 4.64 -1.47 0.17 113.55 120.67 3ijr h SER 157 Ca 0.37 -0.15 -0.04 0.00 -0.47 0.00 0.00 61.79 61.50 3ijr h SER 157 Cb -0.06 -0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 61.74 3ijr h SER 157 CO -0.10 0.90 0.27 1.88 -0.87 0.00 0.00 176.83 178.91 3ijr h TYR 158 N 1.06 0.98 -0.10 4.77 -1.99 -1.63 -0.03 116.97 120.03 3ijr h TYR 158 Ca 0.24 -0.06 -0.01 0.00 2.00 0.00 0.00 58.73 60.91 3ijr h TYR 158 Cb 0.22 -0.30 -0.00 0.00 2.00 0.00 0.00 36.73 38.64 3ijr h TYR 158 CO 0.02 0.75 0.04 0.74 -0.00 0.00 0.00 178.16 179.71 3ijr h PHE 159 N 0.96 0.16 -0.15 4.88 0.04 -0.16 -2.39 116.94 120.28 3ijr h PHE 159 Ca 0.23 -0.01 -0.08 0.00 2.80 0.00 0.00 57.97 60.91 3ijr h PHE 159 Cb 0.18 -0.05 -0.00 0.00 2.20 0.00 0.00 35.95 38.28 3ijr h PHE 159 CO 0.01 0.26 -0.21 0.45 -0.60 0.00 0.00 178.31 178.23 3ijr h HIS 160 N 0.01 0.50 -0.23 -0.55 3.86 -0.31 -1.40 115.15 117.03 3ijr h HIS 160 Ca 0.03 -0.16 -0.02 0.00 -1.16 0.00 0.00 60.37 59.06 3ijr h HIS 160 Cb 0.17 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 28.53 3ijr h HIS 160 CO -0.02 0.83 0.06 0.28 0.86 0.00 0.00 177.93 179.94 3ijr h VAL 161 N 0.03 1.20 -0.73 2.45 2.07 -1.13 -2.30 116.25 117.84 3ijr h VAL 161 Ca 0.02 -0.66 -0.03 0.00 0.82 0.00 0.00 66.70 66.85 3ijr h VAL 161 Cb 0.77 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.70 3ijr h VAL 161 CO 0.05 0.21 0.34 0.74 0.02 0.00 0.00 177.57 178.93 3ijr h THR 162 N 0.20 1.24 -0.09 2.57 2.02 -1.46 -1.26 112.91 116.13 3ijr h THR 162 Ca 0.07 -0.69 0.03 0.00 0.77 0.00 0.00 66.41 66.60 3ijr h THR 162 Cb 0.26 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 66.98 3ijr h THR 162 CO -0.00 0.29 -0.09 0.50 0.37 0.00 0.00 175.52 176.59 3ijr h LYS 163 N 1.03 -0.10 -0.44 6.66 3.64 -1.15 -1.94 116.57 124.26 3ijr h LYS 163 Ca 0.25 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.60 3ijr h LYS 163 Cb 0.13 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 3ijr h LYS 163 CO -0.03 -0.07 0.10 0.00 -2.27 0.00 0.00 179.45 177.18 3ijr h ALA 164 N 0.96 1.35 0.00 5.00 0.00 -1.17 -2.46 119.26 122.95 3ijr h ALA 164 Ca 0.07 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 3ijr h ALA 164 Cb 0.20 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3ijr h ALA 164 CO -0.16 0.46 -0.14 0.00 0.00 0.00 0.00 179.25 179.42 3ijr h ALA 165 N 1.47 1.33 -0.36 0.00 0.00 -0.51 -3.31 119.26 117.88 3ijr h ALA 165 Ca 0.15 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 54.99 3ijr h ALA 165 Cb 0.25 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 3ijr h ALA 165 CO -0.00 0.17 0.06 -0.07 0.00 0.00 0.00 179.25 179.41 3ijr h LEU 166 N 0.00 -0.02 -2.73 0.00 3.38 -0.89 -1.30 115.31 113.75 3ijr h LEU 166 Ca -0.00 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3ijr h LEU 166 Cb 0.35 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3ijr h LEU 166 CO 0.02 0.02 0.09 0.77 0.09 0.00 0.00 178.44 179.43 3ijr h SER 167 N 0.17 0.00 0.00 -0.43 4.64 -1.76 -1.50 113.55 114.68 3ijr h SER 167 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 3ijr h SER 167 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 3ijr h SER 167 CO -0.24 0.00 -1.29 1.41 -0.87 0.00 0.00 176.83 175.84 3ijr n HIS 168 N -3.03 0.00 -2.97 4.77 8.25 -0.56 -4.96 115.22 116.72 3ijr n HIS 168 Ca -0.03 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.08 3ijr n HIS 168 Cb 0.15 -0.17 -0.06 0.00 1.12 0.00 0.00 29.99 31.02 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 -3.47 4.26 0.31 2.41 1.43 -0.57 -4.64 118.68 118.42 3ijr s LEU 169 Ca 0.02 1.57 0.03 0.00 -1.03 0.00 0.00 54.13 54.72 3ijr s LEU 169 Cb 0.14 -3.89 -0.04 0.00 0.03 0.00 0.00 46.19 42.43 3ijr s LEU 169 CO 0.80 -0.07 0.17 -0.54 0.23 0.00 0.00 176.35 176.94 3ijr s LYS 170 N -2.25 1.60 -0.21 1.70 1.02 -1.26 -4.98 119.74 115.36 3ijr s LYS 170 Ca 0.49 -1.92 -0.32 0.00 0.02 0.00 0.00 55.97 54.24 3ijr s LYS 170 Cb -0.16 -0.05 -0.09 0.00 -0.52 0.00 0.00 37.83 37.01 3ijr s LYS 170 CO 0.21 -0.47 2.12 0.94 -0.92 0.00 0.00 175.35 177.22 3ijr n GLN 171 N -0.58 1.79 0.00 1.68 7.27 -1.19 -0.66 117.38 125.69 3ijr n GLN 171 Ca 0.02 0.55 0.00 0.00 0.07 0.00 0.00 57.00 57.64 3ijr n GLN 171 Cb 0.65 -2.84 0.00 0.00 2.41 0.00 0.00 30.24 30.46 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 5.61 1.54 3.92 1.69 0.00 0.13 -5.00 105.19 113.07 3ijr n GLY 172 Ca 0.31 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.97 4.38 -0.07 1.61 1.01 0.16 -4.95 116.67 116.85 3ijr s ASP 173 Ca 0.00 0.58 -0.09 0.00 0.71 0.00 0.00 52.55 53.74 3ijr s ASP 173 Cb 0.00 -1.04 0.02 0.00 1.01 0.00 0.00 42.92 42.91 3ijr s ASP 173 CO 0.00 -1.94 0.24 -0.69 0.21 0.00 0.00 175.17 172.99 3ijr s VAL 174 N -3.52 0.02 -0.06 -1.27 1.01 -0.67 -2.66 120.40 113.24 3ijr s VAL 174 Ca 0.63 -0.19 0.05 0.00 0.00 0.00 0.00 61.98 62.47 3ijr s VAL 174 Cb -0.10 -0.41 -0.01 0.00 0.00 0.00 0.00 36.38 35.86 3ijr s VAL 174 CO 0.48 -0.10 -0.22 -0.63 0.00 0.00 0.00 175.10 174.63 3ijr s ILE 175 N -0.35 2.33 -0.07 2.22 1.01 0.08 -1.01 121.20 125.42 3ijr s ILE 175 Ca -0.05 -0.97 0.02 0.00 0.00 0.00 0.00 60.65 59.66 3ijr s ILE 175 Cb -0.03 -1.87 0.02 0.00 0.01 0.00 0.00 42.46 40.58 3ijr s ILE 175 CO 0.01 0.57 -0.10 -0.63 0.00 0.00 0.00 174.94 174.79 3ijr s ILE 176 N -0.20 1.04 -0.16 2.92 1.01 -0.08 -2.15 121.20 123.57 3ijr s ILE 176 Ca -0.02 -0.40 -0.02 0.00 0.00 0.00 0.00 60.65 60.21 3ijr s ILE 176 Cb -0.13 -0.97 -0.02 0.00 0.01 0.00 0.00 42.46 41.35 3ijr s ILE 176 CO 0.03 0.34 -0.09 0.20 0.00 0.00 0.00 174.94 175.43 3ijr s ASN 177 N 0.85 4.26 -0.36 3.58 0.01 -0.35 -0.90 114.94 122.03 3ijr s ASN 177 Ca -0.11 -0.30 -0.25 0.00 -0.71 0.00 0.00 52.86 51.49 3ijr s ASN 177 Cb -0.15 -1.68 0.01 0.00 0.41 0.00 0.00 41.25 39.84 3ijr s ASN 177 CO 0.02 0.12 0.87 -0.89 -1.51 0.00 0.00 177.10 175.70 3ijr s THR 178 N 0.65 4.65 0.00 1.60 2.01 0.07 -2.09 115.64 122.53 3ijr s THR 178 Ca -0.05 1.09 0.00 0.00 0.31 0.00 0.00 61.69 63.04 3ijr s THR 178 Cb -0.15 -4.28 0.00 0.00 0.01 0.00 0.00 72.50 68.08 3ijr s THR 178 CO 0.03 -0.48 0.00 0.00 -0.69 0.00 0.00 174.62 173.48 3ijr n ALA 179 N 6.61 0.00 -3.61 7.40 0.00 0.02 -4.85 120.51 126.08 3ijr n ALA 179 Ca 0.05 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.45 3ijr n ALA 179 Cb 0.48 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.90 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 -1.00 -0.16 0.53 0.00 0.15 -1.26 -4.47 113.70 107.50 3ijr s SER 180 Ca 0.00 0.10 0.19 0.00 0.70 0.00 0.00 55.95 56.94 3ijr s SER 180 Cb 0.00 0.14 1.40 0.00 -1.71 0.00 0.00 66.02 65.85 3ijr s SER 180 CO 0.00 -0.20 2.17 -0.29 1.20 0.00 0.00 173.24 176.12 3ijr h ILE 181 N 2.14 0.88 0.00 6.45 2.10 -1.60 -2.49 117.51 124.99 3ijr h ILE 181 Ca -0.11 -0.03 -0.01 0.00 1.08 0.00 0.00 64.86 65.80 3ijr h ILE 181 Cb 1.17 1.02 -0.00 0.00 -1.09 0.00 0.00 36.82 37.92 3ijr h ILE 181 CO 0.24 0.01 -0.03 -0.37 -1.08 0.00 0.00 178.15 176.92 3ijr h VAL 182 N 0.00 0.20 0.00 2.19 -1.51 -1.85 0.01 116.25 115.29 3ijr h VAL 182 Ca -0.00 -0.24 -0.08 0.00 -1.23 0.00 0.00 66.70 65.15 3ijr h VAL 182 Cb 0.01 1.20 -0.01 0.00 -2.13 0.00 0.00 31.29 30.36 3ijr h VAL 182 CO 0.00 0.03 -0.36 0.00 -1.23 0.00 0.00 177.57 176.01 3ijr h ALA 183 N 1.97 1.32 0.07 5.19 0.00 -1.68 0.11 119.26 126.24 3ijr h ALA 183 Ca -0.00 -0.33 -0.35 0.00 0.00 0.00 0.00 54.91 54.23 3ijr h ALA 183 Cb 0.19 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3ijr h ALA 183 CO 0.00 0.45 -1.99 0.66 0.00 0.00 0.00 179.25 178.37 3ijr n TYR 184 N -3.98 0.90 -0.00 0.00 4.01 -0.35 -4.57 117.16 113.17 3ijr n TYR 184 Ca -0.02 0.23 -0.07 0.00 -0.16 0.00 0.00 57.90 57.88 3ijr n TYR 184 Cb 0.41 -1.11 -0.13 0.00 -0.31 0.00 0.00 39.34 38.20 3ijr n TYR 184 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 3ijr h GLU 185 N -0.21 0.00 0.00 -0.72 5.08 -1.13 -3.51 114.58 114.09 3ijr h GLU 185 Ca -0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 3ijr h GLU 185 Cb 1.85 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.10 3ijr h GLU 185 CO -0.03 0.52 0.00 0.41 -1.00 0.00 0.00 179.01 178.91 3ijr n GLY 186 N 1.51 -1.45 3.03 -3.84 0.00 0.40 -5.01 105.19 99.83 3ijr n GLY 186 Ca -0.14 -1.57 -0.10 0.00 0.00 0.00 0.00 46.02 44.22 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 -3.36 0.15 0.45 1.61 3.84 -1.26 -4.74 114.94 111.63 3ijr s ASN 187 Ca 0.00 0.49 0.31 0.00 0.21 0.00 0.00 52.86 53.87 3ijr s ASN 187 Cb 0.00 1.11 1.58 0.00 -0.55 0.00 0.00 41.25 43.38 3ijr s ASN 187 CO 0.00 -0.27 1.93 1.05 -2.79 0.00 0.00 177.10 177.02 3ijr h GLU 188 N 8.20 0.00 -0.25 0.43 4.11 -1.97 -2.35 114.58 122.74 3ijr h GLU 188 Ca -0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.25 3ijr h GLU 188 Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 3ijr h GLU 188 CO 0.21 0.00 0.00 0.25 0.07 0.00 0.00 179.01 179.54 3ijr n THR 189 N -2.61 0.71 -2.69 -1.06 -2.24 -1.26 -4.62 114.28 100.51 3ijr n THR 189 Ca -0.01 -0.86 -0.09 0.00 -2.27 0.00 0.00 64.05 60.82 3ijr n THR 189 Cb 0.10 0.71 0.03 0.00 -2.10 0.00 0.00 70.33 69.07 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 0.54 1.23 -0.17 3.22 4.77 -0.89 -1.29 117.00 124.41 3ijr n LEU 190 Ca 0.10 -3.78 -0.08 0.00 -0.03 0.00 0.00 56.01 52.23 3ijr n LEU 190 Cb 0.38 0.43 0.01 0.00 -2.33 0.00 0.00 43.42 41.92 3ijr n LEU 190 CO 0.08 1.62 1.01 0.40 -1.33 0.00 0.00 177.39 179.17 3ijr h ILE 191 N 2.83 1.18 -0.07 -0.08 2.04 -1.81 0.42 117.51 122.01 3ijr h ILE 191 Ca -0.10 -0.48 -0.02 0.00 1.00 0.00 0.00 64.86 65.26 3ijr h ILE 191 Cb 1.17 0.58 -0.00 0.00 -0.74 0.00 0.00 36.82 37.83 3ijr h ILE 191 CO 0.47 0.20 -0.04 -2.24 0.00 0.00 0.00 178.15 176.54 3ijr h ASP 192 N 0.67 0.15 -0.28 1.72 2.03 -1.93 -1.88 116.42 116.90 3ijr h ASP 192 Ca 0.18 -0.43 0.06 0.00 -0.73 0.00 0.00 57.03 56.10 3ijr h ASP 192 Cb 0.07 -0.04 -0.05 0.00 -0.83 0.00 0.00 39.33 38.48 3ijr h ASP 192 CO -0.03 0.55 -0.07 0.22 -1.03 0.00 0.00 179.24 178.89 3ijr h TYR 193 N -0.24 -0.14 -0.96 4.15 3.20 -1.89 -1.57 116.97 119.52 3ijr h TYR 193 Ca 0.01 0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.95 3ijr h TYR 193 Cb 0.49 0.11 -0.06 0.00 1.54 0.00 0.00 36.73 38.81 3ijr h TYR 193 CO 0.07 -0.12 0.63 0.66 -1.64 0.00 0.00 178.16 177.77 3ijr h SER 194 N 0.00 1.05 -0.42 -2.11 4.64 -0.15 -0.84 113.55 115.73 3ijr h SER 194 Ca 0.13 -0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.41 3ijr h SER 194 Cb 0.20 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.03 3ijr h SER 194 CO -0.28 0.72 0.15 0.00 -0.87 0.00 0.00 176.83 176.55 3ijr h ALA 195 N 1.44 1.38 -0.44 5.18 0.00 -0.66 0.03 119.26 126.20 3ijr h ALA 195 Ca 0.38 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 55.02 3ijr h ALA 195 Cb 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3ijr h ALA 195 CO -0.12 0.46 -0.20 1.79 0.00 0.00 0.00 179.25 181.19 3ijr h THR 196 N 0.69 1.27 -0.30 0.00 1.35 -0.24 -1.51 112.91 114.17 3ijr h THR 196 Ca 0.16 -1.33 -0.12 0.00 -0.55 0.00 0.00 66.41 64.58 3ijr h THR 196 Cb 0.20 1.14 -0.01 0.00 -1.73 0.00 0.00 68.15 67.75 3ijr h THR 196 CO -0.01 0.45 -0.31 0.11 -0.25 0.00 0.00 175.52 175.51 3ijr h LYS 197 N 0.75 0.63 -0.47 4.72 1.79 -0.54 -0.62 116.57 122.84 3ijr h LYS 197 Ca 0.11 -0.28 -0.09 0.00 -2.18 0.00 0.00 60.65 58.21 3ijr h LYS 197 Cb 0.73 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.34 3ijr h LYS 197 CO 0.06 0.86 -0.07 0.78 -1.08 0.00 0.00 179.45 180.00 3ijr h GLY 198 N 1.01 0.90 1.08 3.86 0.00 -0.87 -1.26 103.07 107.78 3ijr h GLY 198 Ca 0.06 -0.66 -0.01 0.00 0.00 0.00 0.00 47.33 46.72 3ijr h GLY 198 CO 0.07 0.61 0.52 0.00 0.00 0.00 0.00 176.54 177.73 3ijr h ALA 199 N 1.16 1.24 -0.68 3.60 0.00 -0.76 -2.09 119.26 121.73 3ijr h ALA 199 Ca 0.13 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 3ijr h ALA 199 Cb 0.56 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3ijr h ALA 199 CO 0.03 0.64 0.11 0.82 0.00 0.00 0.00 179.25 180.85 3ijr h ILE 200 N 1.23 1.26 -0.21 0.00 2.04 -0.42 0.34 117.51 121.75 3ijr h ILE 200 Ca 0.32 -1.04 -0.00 0.00 1.00 0.00 0.00 64.86 65.13 3ijr h ILE 200 Cb -0.02 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 3ijr h ILE 200 CO -0.06 0.39 0.12 0.58 0.00 0.00 0.00 178.15 179.19 3ijr h VAL 201 N 1.04 1.10 -0.49 1.67 2.07 -0.98 0.23 116.25 120.88 3ijr h VAL 201 Ca 0.21 -0.24 -0.09 0.00 0.82 0.00 0.00 66.70 67.39 3ijr h VAL 201 Cb 0.44 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 3ijr h VAL 201 CO 0.01 0.09 -0.06 0.00 0.02 0.00 0.00 177.57 177.63 3ijr h ALA 202 N 1.02 0.67 -0.20 1.67 0.00 -1.24 -2.16 119.26 119.03 3ijr h ALA 202 Ca 0.08 -0.32 0.05 0.00 0.00 0.00 0.00 54.91 54.72 3ijr h ALA 202 Cb 0.04 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.60 3ijr h ALA 202 CO -0.01 0.53 -0.16 0.35 0.00 0.00 0.00 179.25 179.96 3ijr h PHE 203 N 0.77 -0.40 -0.41 0.00 3.57 -0.75 0.94 116.94 120.65 3ijr h PHE 203 Ca 0.13 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.72 3ijr h PHE 203 Cb 0.60 0.21 -0.05 0.00 2.79 0.00 0.00 35.95 39.50 3ijr h PHE 203 CO 0.04 -0.23 0.11 1.15 -2.23 0.00 0.00 178.31 177.16 3ijr h THR 204 N -0.17 0.83 0.08 4.41 2.02 -0.78 0.28 112.91 119.59 3ijr h THR 204 Ca 0.12 -0.09 -0.00 0.00 0.77 0.00 0.00 66.41 67.21 3ijr h THR 204 Cb 0.34 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 67.30 3ijr h THR 204 CO -0.30 0.05 -0.04 0.03 0.37 0.00 0.00 175.52 175.63 3ijr h ARG 205 N 0.26 -0.11 -0.35 6.66 3.08 -0.96 -1.60 114.38 121.35 3ijr h ARG 205 Ca 0.20 0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.22 3ijr h ARG 205 Cb 0.21 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 3ijr h ARG 205 CO -0.23 -0.02 0.09 0.77 -1.07 0.00 0.00 179.97 179.51 3ijr h SER 206 N -0.17 0.53 0.16 7.04 0.02 -0.57 -2.97 113.55 117.58 3ijr h SER 206 Ca -0.01 -0.23 -0.07 0.00 -0.84 0.00 0.00 61.79 60.64 3ijr h SER 206 Cb 0.14 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 3ijr h SER 206 CO 0.02 0.62 -0.25 0.25 -1.14 0.00 0.00 176.83 176.33 3ijr h LEU 207 N 0.41 0.16 -1.01 5.07 5.85 -0.42 -1.60 115.31 123.78 3ijr h LEU 207 Ca 0.11 -0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 3ijr h LEU 207 Cb 0.29 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 3ijr h LEU 207 CO 0.00 0.42 0.04 0.77 -0.34 0.00 0.00 178.44 179.33 3ijr h SER 208 N 0.15 0.71 0.26 1.25 4.64 -1.14 -1.29 113.55 118.14 3ijr h SER 208 Ca 0.03 -0.15 -0.20 0.00 -0.47 0.00 0.00 61.79 61.00 3ijr h SER 208 Cb 0.53 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 62.43 3ijr h SER 208 CO 0.04 0.76 -0.78 1.56 -0.87 0.00 0.00 176.83 177.53 3ijr h GLN 209 N 0.71 0.42 -0.28 4.77 1.08 -1.31 -2.12 115.11 118.37 3ijr h GLN 209 Ca 0.15 -0.37 -0.09 0.00 -1.45 0.00 0.00 58.65 56.89 3ijr h GLN 209 Cb 0.38 0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.88 3ijr h GLN 209 CO 0.01 1.02 -0.22 1.03 -0.95 0.00 0.00 178.83 179.72 3ijr h SER 210 N 0.28 0.52 -0.14 1.46 0.87 -0.75 -3.30 113.55 112.49 3ijr h SER 210 Ca -0.04 -0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.35 3ijr h SER 210 Cb 1.38 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 63.19 3ijr h SER 210 CO 0.14 0.75 0.00 0.18 -0.53 0.00 0.00 176.83 177.36 3ijr n LEU 211 N -4.13 2.38 -0.08 2.23 4.77 -0.54 -4.62 117.00 117.02 3ijr n LEU 211 Ca -0.00 -1.31 0.06 0.00 -0.03 0.00 0.00 56.01 54.73 3ijr n LEU 211 Cb 0.39 -0.08 0.42 0.00 -2.33 0.00 0.00 43.42 41.81 3ijr n LEU 211 CO 0.42 0.50 1.19 1.62 -1.33 0.00 0.00 177.39 179.79 3ijr h VAL 212 N 2.46 1.04 0.00 4.08 3.04 -1.47 -1.33 116.25 124.08 3ijr h VAL 212 Ca 0.00 -0.20 0.00 0.00 -1.01 0.00 0.00 66.70 65.49 3ijr h VAL 212 Cb 0.61 0.39 0.00 0.00 -2.01 0.00 0.00 31.29 30.28 3ijr h VAL 212 CO 0.00 0.11 0.00 1.56 -1.01 0.00 0.00 177.57 178.23 3ijr h GLN 213 N 0.60 0.00 0.00 4.17 4.20 -1.84 -2.47 115.11 119.77 3ijr h GLN 213 Ca 0.23 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.94 3ijr h GLN 213 Cb 0.16 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.94 3ijr h GLN 213 CO -0.06 0.00 0.00 1.63 -0.67 0.00 0.00 178.83 179.73 3ijr n LYS 214 N -2.96 0.21 -0.78 1.46 5.02 -0.54 -4.89 118.16 115.67 3ijr n LYS 214 Ca 0.04 0.21 0.00 0.00 -2.02 0.00 0.00 58.31 56.54 3ijr n LYS 214 Cb 0.49 -1.76 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 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 1.15 0.71 3.45 0.72 0.00 -0.93 -3.14 105.19 107.15 3ijr n GLY 215 Ca 0.05 -0.65 -0.36 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.00 4.30 0.06 -0.61 1.01 -0.99 -0.69 121.20 122.28 3ijr s ILE 216 Ca 0.00 -0.18 -0.19 0.00 0.00 0.00 0.00 60.65 60.28 3ijr s ILE 216 Cb 0.00 -3.01 -0.07 0.00 0.01 0.00 0.00 42.46 39.40 3ijr s ILE 216 CO 0.00 0.35 0.56 -0.13 0.00 0.00 0.00 174.94 175.71 3ijr s ARG 217 N 1.57 4.19 -0.09 2.79 0.52 -1.09 -3.96 118.95 122.88 3ijr s ARG 217 Ca 0.06 0.71 0.01 0.00 -0.52 0.00 0.00 55.73 55.99 3ijr s ARG 217 Cb -0.15 -3.24 0.02 0.00 0.52 0.00 0.00 34.95 32.10 3ijr s ARG 217 CO 0.03 0.63 -0.10 0.08 0.02 0.00 0.00 175.30 175.97 3ijr s VAL 218 N -1.06 1.09 0.25 3.52 1.01 -1.26 -0.74 120.40 123.20 3ijr s VAL 218 Ca 0.29 -0.38 -0.03 0.00 0.00 0.00 0.00 61.98 61.85 3ijr s VAL 218 Cb -0.19 -1.06 -0.02 0.00 0.00 0.00 0.00 36.38 35.11 3ijr s VAL 218 CO 0.19 0.36 0.29 0.20 0.00 0.00 0.00 175.10 176.14 3ijr s ASN 219 N 1.25 0.40 0.20 3.32 0.01 -0.91 0.92 114.94 120.13 3ijr s ASN 219 Ca -0.03 -1.33 0.01 0.00 -0.71 0.00 0.00 52.86 50.79 3ijr s ASN 219 Cb -0.14 0.50 -0.05 0.00 0.41 0.00 0.00 41.25 41.97 3ijr s ASN 219 CO -0.03 -1.01 0.07 -0.83 -1.51 0.00 0.00 177.10 173.78 3ijr s GLY 220 N -3.16 1.42 -0.07 0.66 0.00 0.15 -1.21 107.32 105.11 3ijr s GLY 220 Ca 0.34 -1.70 0.02 0.00 0.00 0.00 0.00 44.72 43.38 3ijr s GLY 220 CO 0.14 -1.51 -0.14 0.14 0.00 0.00 0.00 173.10 171.74 3ijr s VAL 221 N -3.84 1.30 -0.52 1.40 1.01 -0.89 -1.40 120.40 117.46 3ijr s VAL 221 Ca 0.32 -0.57 -0.01 0.00 0.00 0.00 0.00 61.98 61.72 3ijr s VAL 221 Cb 0.07 -1.17 0.14 0.00 0.00 0.00 0.00 36.38 35.41 3ijr s VAL 221 CO 0.09 0.39 0.31 0.00 0.00 0.00 0.00 175.10 175.88 3ijr s ALA 222 N 0.65 3.35 0.55 5.51 0.00 -0.15 -0.80 121.76 130.88 3ijr s ALA 222 Ca -0.14 -3.00 -0.18 0.00 0.00 0.00 0.00 51.96 48.64 3ijr s ALA 222 Cb -0.16 -2.44 -0.06 0.00 0.00 0.00 0.00 23.12 20.47 3ijr s ALA 222 CO 0.04 -1.97 1.06 -2.14 0.00 0.00 0.00 175.76 172.75 3ijr s PRO 223 N 0.31 3.49 0.00 0.00 0.02 -1.26 -2.46 135.00 135.10 3ijr s PRO 223 Ca 0.14 1.31 0.00 0.00 0.02 0.00 0.00 61.00 62.47 3ijr s PRO 223 Cb -0.22 -2.05 0.00 0.00 0.02 0.00 0.00 34.50 32.25 3ijr s PRO 223 CO -0.03 -0.68 0.00 0.41 -0.33 0.00 0.00 177.00 176.36 3ijr n GLY 224 N -0.59 1.52 3.62 0.52 0.00 -0.13 -1.98 105.19 108.15 3ijr n GLY 224 Ca 0.09 -1.72 -0.43 0.00 0.00 0.00 0.00 46.02 43.96 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 2.51 3.74 -0.05 1.61 0.04 -1.26 -4.92 135.00 136.68 3ijr s PRO 225 Ca 0.00 1.19 0.04 0.00 0.04 0.00 0.00 61.00 62.27 3ijr s PRO 225 Cb 0.00 -3.97 -0.03 0.00 0.04 0.00 0.00 34.50 30.54 3ijr s PRO 225 CO 0.00 -1.35 -0.14 0.42 0.04 0.00 0.00 177.00 175.97 3ijr s ILE 226 N 5.00 3.07 -0.77 0.56 -1.09 -1.26 -0.25 121.20 126.46 3ijr s ILE 226 Ca 0.61 -0.73 -0.26 0.00 -2.23 0.00 0.00 60.65 58.04 3ijr s ILE 226 Cb -0.17 -2.20 0.01 0.00 -1.58 0.00 0.00 42.46 38.52 3ijr s ILE 226 CO 0.28 0.59 1.51 0.86 -1.23 0.00 0.00 174.94 176.95 3ijr s TRP 227 N -0.74 2.13 0.22 3.97 -0.00 -0.23 -4.85 118.94 119.44 3ijr s TRP 227 Ca 0.12 0.08 0.00 0.00 -0.00 0.00 0.00 56.10 56.30 3ijr s TRP 227 Cb -0.11 -4.46 -0.04 0.00 -0.00 0.00 0.00 33.47 28.87 3ijr s TRP 227 CO 0.01 -2.09 0.14 0.95 -0.00 0.00 0.00 176.95 175.96 3ijr s THR 228 N 6.80 0.04 0.11 5.86 -4.23 -1.26 -4.46 115.64 118.50 3ijr s THR 228 Ca 0.48 -2.00 0.30 0.00 -1.18 0.00 0.00 61.69 59.29 3ijr s THR 228 Cb -0.08 -2.51 0.30 0.00 1.34 0.00 0.00 72.50 71.56 3ijr s THR 228 CO 0.11 0.00 1.93 -0.65 -0.54 0.00 0.00 174.62 175.47 3ijr h PRO 229 N 2.55 0.00 0.00 3.99 0.11 -1.90 -2.17 132.00 134.58 3ijr h PRO 229 Ca -0.35 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.72 3ijr h PRO 229 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 3ijr h PRO 229 CO 0.52 0.00 -0.21 1.25 -0.21 0.00 0.00 178.00 179.35 3ijr h LEU 230 N 0.00 0.00 0.17 2.35 5.85 -1.94 -2.86 115.31 118.88 3ijr h LEU 230 Ca 0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 3ijr h LEU 230 Cb 0.02 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.05 3ijr h LEU 230 CO 0.00 0.21 -0.08 0.40 -0.34 0.00 0.00 178.44 178.63 3ijr h ILE 231 N 0.00 0.00 0.00 4.05 1.08 -1.72 -2.94 117.51 117.98 3ijr h ILE 231 Ca -0.00 -0.59 -0.01 0.00 -0.39 0.00 0.00 64.86 63.87 3ijr h ILE 231 Cb 0.47 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 34.22 3ijr h ILE 231 CO 0.03 0.00 -0.07 1.55 -0.69 0.00 0.00 178.15 178.97 3ijr h PRO 232 N -0.82 0.00 -0.00 2.37 0.13 -1.73 0.49 132.00 132.44 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 0.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.31 3ijr h PRO 232 CO 0.04 0.07 -0.13 -1.13 -0.23 0.00 0.00 178.00 176.61 3ijr n SER 233 N -3.33 0.26 0.00 1.44 3.41 -1.08 -1.48 113.62 112.84 3ijr n SER 233 Ca -0.01 -0.09 0.00 0.00 -0.26 0.00 0.00 58.87 58.51 3ijr n SER 233 Cb 0.24 -0.18 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 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 -1.29 4.06 -4.90 4.04 3.41 -0.88 -4.55 113.62 113.52 3ijr n SER 234 Ca 0.10 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.48 3ijr n SER 234 Cb 0.31 0.23 -0.03 0.00 -0.26 0.00 0.00 64.21 64.45 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 -1.90 3.32 0.80 7.33 0.08 0.11 -4.56 117.98 123.17 3ijr s PHE 235 Ca 0.00 -0.01 -0.12 0.00 0.12 0.00 0.00 56.93 56.92 3ijr s PHE 235 Cb 0.00 -1.54 0.08 0.00 -0.57 0.00 0.00 43.02 40.98 3ijr s PHE 235 CO 0.00 0.49 1.16 -0.51 -0.10 0.00 0.00 175.22 176.26 3ijr s ASP 236 N -3.60 4.55 0.26 1.36 1.11 -1.26 -4.69 116.67 114.39 3ijr s ASP 236 Ca 0.33 0.87 -0.02 0.00 0.18 0.00 0.00 52.55 53.91 3ijr s ASP 236 Cb -0.09 -1.42 0.49 0.00 1.07 0.00 0.00 42.92 42.97 3ijr s ASP 236 CO 0.27 -1.89 1.78 -0.33 1.18 0.00 0.00 175.17 176.18 3ijr h GLU 237 N -1.04 0.66 -0.72 8.23 5.08 -1.95 -1.28 114.58 123.57 3ijr h GLU 237 Ca -0.46 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 57.84 3ijr h GLU 237 Cb 1.32 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 30.38 3ijr h GLU 237 CO 0.65 0.44 0.37 0.87 -1.00 0.00 0.00 179.01 180.34 3ijr h LYS 238 N 0.68 1.02 0.00 2.33 6.56 -1.93 -1.86 116.57 123.37 3ijr h LYS 238 Ca 0.44 -0.14 -0.18 0.00 -1.06 0.00 0.00 60.65 59.72 3ijr h LYS 238 Cb 0.56 -0.19 -0.03 0.00 -0.57 0.00 0.00 32.23 32.00 3ijr h LYS 238 CO -0.32 0.78 -0.85 -0.22 -2.06 0.00 0.00 179.45 176.78 3ijr h LYS 239 N 0.99 0.00 -0.39 3.15 1.63 -1.84 -3.23 116.57 116.88 3ijr h LYS 239 Ca 0.25 0.00 -0.09 0.00 -0.85 0.00 0.00 60.65 59.96 3ijr h LYS 239 Cb 0.08 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.70 3ijr h LYS 239 CO -0.04 0.85 -0.11 0.28 -3.45 0.00 0.00 179.45 176.98 3ijr h VAL 240 N 0.00 1.28 0.00 2.00 2.07 -1.02 -2.27 116.25 118.30 3ijr h VAL 240 Ca -0.01 -1.21 0.00 0.00 0.82 0.00 0.00 66.70 66.30 3ijr h VAL 240 Cb 1.51 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 32.52 3ijr h VAL 240 CO 0.11 0.40 0.00 0.77 0.02 0.00 0.00 177.57 178.87 3ijr h SER 241 N 0.57 0.00 -0.13 0.57 4.64 -1.38 -2.38 113.55 115.43 3ijr h SER 241 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3ijr h SER 241 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 3ijr h SER 241 CO 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.00 3ijr n GLN 242 N -2.94 1.46 -1.65 4.77 6.02 -1.16 0.76 117.38 124.63 3ijr n GLN 242 Ca -0.01 -1.56 -0.49 0.00 -0.01 0.00 0.00 57.00 54.93 3ijr n GLN 242 Cb 0.20 -1.28 -0.05 0.00 1.02 0.00 0.00 30.24 30.13 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 0.77 2.05 -0.46 1.08 7.35 -0.86 -1.80 117.46 125.59 3ijr n PHE 243 Ca 0.10 0.35 0.00 0.00 -0.76 0.00 0.00 57.45 57.13 3ijr n PHE 243 Cb 0.38 -2.50 0.00 0.00 0.35 0.00 0.00 39.48 37.71 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 3.44 1.33 0.27 7.13 0.00 -1.26 -4.11 105.19 111.98 3ijr n GLY 244 Ca 0.19 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.37 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 1.47 1.61 4.64 -1.63 -2.06 113.55 117.58 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 0.05 0.00 -0.55 -0.87 0.00 0.00 176.83 175.46 3ijr h ASN 246 N 0.00 0.00 -3.36 4.97 -1.07 -1.91 -3.42 115.58 110.80 3ijr h ASN 246 Ca -0.00 0.00 -0.50 0.00 0.07 0.00 0.00 56.30 55.87 3ijr h ASN 246 Cb 0.56 0.00 0.01 0.00 -2.07 0.00 0.00 38.32 36.82 3ijr h ASN 246 CO 0.01 0.00 -0.01 0.68 0.07 0.00 0.00 177.43 178.18 3ijr s VAL 247 N -3.32 4.95 0.00 6.14 -7.23 -1.22 -4.95 120.40 114.78 3ijr s VAL 247 Ca 0.06 0.12 0.00 0.00 -1.81 0.00 0.00 61.98 60.35 3ijr s VAL 247 Cb 0.08 -3.80 0.00 0.00 0.56 0.00 0.00 36.38 33.22 3ijr s VAL 247 CO 0.58 -0.59 0.00 -2.65 -0.31 0.00 0.00 175.10 172.13 3ijr n PRO 248 N -1.63 0.00 0.00 4.82 -0.02 -1.19 -4.47 135.00 132.51 3ijr n PRO 248 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 3ijr n PRO 248 Cb 0.55 -1.13 0.00 0.00 -0.02 0.00 0.00 33.50 32.90 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 1.53 0.00 -3.53 -0.52 6.02 -1.26 -5.04 117.38 114.58 3ijr n GLN 250 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 57.00 56.84 3ijr n GLN 250 Cb 0.00 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.21 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 0.00 0.91 0.83 -1.09 1.70 -0.78 -4.68 118.95 115.85 3ijr s ARG 251 Ca 0.00 0.13 -0.11 0.00 -0.47 0.00 0.00 55.73 55.28 3ijr s ARG 251 Cb 0.00 0.43 0.09 0.00 -0.57 0.00 0.00 34.95 34.90 3ijr s ARG 251 CO 0.00 -0.30 1.09 -1.25 -1.08 0.00 0.00 175.30 173.76 3ijr s PRO 252 N -1.49 1.77 0.42 3.89 0.04 -1.25 -4.79 135.00 133.59 3ijr s PRO 252 Ca -0.06 0.91 -0.01 0.00 0.04 0.00 0.00 61.00 61.88 3ijr s PRO 252 Cb -0.00 -1.86 -0.02 0.00 0.04 0.00 0.00 34.50 32.66 3ijr s PRO 252 CO 0.04 -1.91 0.65 0.20 0.04 0.00 0.00 177.00 176.02 3ijr s GLY 253 N -3.50 1.46 0.07 0.56 0.00 0.65 -4.90 107.32 101.66 3ijr s GLY 253 Ca 0.62 -0.89 0.01 0.00 0.00 0.00 0.00 44.72 44.46 3ijr s GLY 253 CO 0.56 -0.76 0.18 1.20 0.00 0.00 0.00 173.10 174.28 3ijr s GLN 254 N -4.50 3.31 0.40 2.90 -1.52 -1.26 -1.07 119.66 117.92 3ijr s GLN 254 Ca 0.45 -0.50 0.15 0.00 -1.95 0.00 0.00 55.36 53.51 3ijr s GLN 254 Cb -0.10 -2.97 1.01 0.00 -0.22 0.00 0.00 33.01 30.74 3ijr s GLN 254 CO 0.38 0.60 1.86 -1.35 -0.25 0.00 0.00 175.29 176.53 3ijr h PRO 255 N 3.12 0.46 0.00 2.91 0.11 -1.77 0.22 132.00 137.06 3ijr h PRO 255 Ca -0.45 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 3ijr h PRO 255 Cb 1.16 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 3ijr h PRO 255 CO 0.74 0.31 -0.06 0.10 -0.21 0.00 0.00 178.00 178.87 3ijr h TYR 256 N 0.48 0.00 0.00 0.65 -0.00 -1.63 -0.11 116.97 116.35 3ijr h TYR 256 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.19 3ijr h TYR 256 Cb 1.03 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.76 3ijr h TYR 256 CO -0.00 0.06 0.00 0.39 -0.00 0.00 0.00 178.16 178.61 3ijr n GLU 257 N -3.98 0.02 -0.07 0.10 1.02 0.07 -2.98 120.64 114.83 3ijr n GLU 257 Ca -0.03 0.25 -0.04 0.00 -0.02 0.00 0.00 57.16 57.32 3ijr n GLU 257 Cb 0.15 -1.50 -0.16 0.00 -0.02 0.00 0.00 31.44 29.91 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 -1.48 0.03 -0.17 -4.62 4.32 -0.06 -4.65 117.00 110.38 3ijr n LEU 258 Ca 0.04 0.01 -0.02 0.00 -0.02 0.00 0.00 56.01 56.02 3ijr n LEU 258 Cb 0.16 0.34 0.07 0.00 -1.62 0.00 0.00 43.42 42.38 3ijr n LEU 258 CO 0.13 0.35 0.95 0.00 -1.22 0.00 0.00 177.39 177.59 3ijr h ALA 259 N 1.30 0.63 -0.44 -1.18 0.00 -1.55 -1.98 119.26 116.04 3ijr h ALA 259 Ca -0.38 0.08 0.11 0.00 0.00 0.00 0.00 54.91 54.73 3ijr h ALA 259 Cb 1.87 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.72 3ijr h ALA 259 CO 0.02 -0.25 0.31 -1.35 0.00 0.00 0.00 179.25 177.99 3ijr h PRO 260 N 0.32 0.08 -0.51 0.00 0.11 -1.83 0.16 132.00 130.34 3ijr h PRO 260 Ca 0.26 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 66.31 3ijr h PRO 260 Cb 0.31 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.39 3ijr h PRO 260 CO -0.29 0.06 0.12 0.00 -0.21 0.00 0.00 178.00 177.68 3ijr h ALA 261 N 1.78 0.68 -0.43 -0.75 0.00 -1.66 0.63 119.26 119.51 3ijr h ALA 261 Ca 0.21 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 3ijr h ALA 261 Cb 0.71 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3ijr h ALA 261 CO -0.02 0.38 -0.20 1.88 0.00 0.00 0.00 179.25 181.29 3ijr h TYR 262 N 0.72 0.96 -0.37 0.00 0.05 -0.78 -1.06 116.97 116.49 3ijr h TYR 262 Ca 0.16 -0.21 -0.01 0.00 0.05 0.00 0.00 58.73 58.72 3ijr h TYR 262 Cb 0.34 -0.23 -0.02 0.00 1.01 0.00 0.00 36.73 37.83 3ijr h TYR 262 CO 0.02 0.97 0.21 0.28 -1.05 0.00 0.00 178.16 178.59 3ijr h VAL 263 N 0.74 1.14 0.00 -2.88 2.07 -0.57 0.45 116.25 117.21 3ijr h VAL 263 Ca 0.11 -0.36 0.03 0.00 0.82 0.00 0.00 66.70 67.29 3ijr h VAL 263 Cb 0.72 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 31.16 3ijr h VAL 263 CO 0.06 0.15 -0.23 0.22 0.02 0.00 0.00 177.57 177.78 3ijr h TYR 264 N 0.48 -0.61 -0.29 1.57 3.20 -0.70 -0.38 116.97 120.24 3ijr h TYR 264 Ca 0.13 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.94 3ijr h TYR 264 Cb 0.05 0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.57 3ijr h TYR 264 CO -0.03 -0.32 -0.17 -0.07 -1.64 0.00 0.00 178.16 175.94 3ijr h LEU 265 N -0.36 0.50 -0.32 2.82 3.38 -0.76 -3.13 115.31 117.44 3ijr h LEU 265 Ca 0.06 -0.15 -0.16 0.00 0.09 0.00 0.00 57.88 57.73 3ijr h LEU 265 Cb 0.44 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 3ijr h LEU 265 CO -0.20 0.69 -0.74 0.00 0.09 0.00 0.00 178.44 178.27 3ijr h ALA 266 N 1.36 0.65 -1.72 1.53 0.00 0.24 -3.46 119.26 117.85 3ijr h ALA 266 Ca 0.08 -0.68 -0.46 0.00 0.00 0.00 0.00 54.91 53.86 3ijr h ALA 266 Cb 0.56 -0.12 0.08 0.00 0.00 0.00 0.00 17.79 18.31 3ijr h ALA 266 CO 0.04 0.93 0.12 -1.54 0.00 0.00 0.00 179.25 178.79 3ijr s SER 267 N -6.68 4.61 0.00 0.00 1.04 -0.18 -4.89 113.70 107.60 3ijr s SER 267 Ca 0.01 -0.05 0.15 0.00 0.48 0.00 0.00 55.95 56.54 3ijr s SER 267 Cb 0.10 -0.49 0.79 0.00 0.10 0.00 0.00 66.02 66.52 3ijr s SER 267 CO 0.78 -1.68 1.41 -1.54 0.98 0.00 0.00 173.24 173.20 3ijr n SER 268 N -2.79 0.00 0.25 7.02 3.41 -1.26 -2.72 113.62 117.54 3ijr n SER 268 Ca 0.12 -0.02 0.17 0.00 -0.26 0.00 0.00 58.87 58.88 3ijr n SER 268 Cb 0.60 -0.24 0.81 0.00 -0.26 0.00 0.00 64.21 65.12 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 -0.48 4.04 3.32 -1.91 -2.40 116.42 118.99 3ijr h ASP 269 Ca 0.00 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.70 3ijr h ASP 269 Cb 0.12 0.00 -0.27 0.00 0.22 0.00 0.00 39.33 39.40 3ijr h ASP 269 CO 0.00 0.00 -0.65 -1.54 -1.72 0.00 0.00 179.24 175.33 3ijr n SER 270 N -2.81 3.79 0.26 6.45 3.41 -1.10 -4.82 113.62 118.80 3ijr n SER 270 Ca -0.01 -3.81 0.12 0.00 -0.26 0.00 0.00 58.87 54.91 3ijr n SER 270 Cb 0.17 -0.43 0.76 0.00 -0.26 0.00 0.00 64.21 64.46 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 1.73 0.00 -0.67 4.04 4.64 -1.63 -1.71 113.55 119.95 3ijr h SER 271 Ca 0.24 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.30 3ijr h SER 271 Cb 1.34 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.28 3ijr h SER 271 CO 0.50 0.00 0.26 0.00 -0.87 0.00 0.00 176.83 176.73 3ijr n TYR 272 N -4.22 2.14 -4.30 4.77 9.36 -1.26 -4.92 117.16 118.73 3ijr n TYR 272 Ca -0.02 -1.42 -0.28 0.00 3.32 0.00 0.00 57.90 59.49 3ijr n TYR 272 Cb 0.11 -0.67 -0.17 0.00 -0.63 0.00 0.00 39.34 37.99 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 -3.11 1.44 -0.08 2.97 1.01 -0.64 -5.12 120.40 116.87 3ijr s VAL 273 Ca 0.52 -0.59 -0.23 0.00 0.00 0.00 0.00 61.98 61.68 3ijr s VAL 273 Cb 0.43 -1.34 0.05 0.00 0.00 0.00 0.00 36.38 35.53 3ijr s VAL 273 CO 0.09 0.43 0.53 0.28 0.00 0.00 0.00 175.10 176.43 3ijr s THR 274 N 1.16 0.02 -0.01 3.92 -1.32 -1.26 -4.73 115.64 113.41 3ijr s THR 274 Ca -0.03 -0.16 0.00 0.00 -1.21 0.00 0.00 61.69 60.29 3ijr s THR 274 Cb -0.14 -0.81 0.00 0.00 -1.51 0.00 0.00 72.50 70.04 3ijr s THR 274 CO -0.04 -0.09 0.00 0.61 -2.21 0.00 0.00 174.62 172.89 3ijr n GLY 275 N 1.52 0.47 0.00 6.08 0.00 0.26 -4.96 105.19 108.57 3ijr n GLY 275 Ca -0.18 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.84 3.48 -3.66 1.61 1.13 -1.26 -4.65 117.38 111.19 3ijr n GLN 276 Ca -0.00 0.00 -0.09 0.00 -1.94 0.00 0.00 57.00 54.97 3ijr n GLN 276 Cb 0.02 0.00 -0.10 0.00 0.11 0.00 0.00 30.24 30.28 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 3.58 -0.60 -0.39 5.09 -1.09 -0.49 -0.67 121.20 126.63 3ijr s ILE 278 Ca 0.00 0.16 -0.16 0.00 -2.23 0.00 0.00 60.65 58.42 3ijr s ILE 278 Cb 0.00 -0.67 0.01 0.00 -1.58 0.00 0.00 42.46 40.22 3ijr s ILE 278 CO 0.00 0.07 0.38 -1.00 -1.23 0.00 0.00 174.94 173.15 3ijr s HIS 279 N 2.51 3.20 -0.60 3.97 3.76 -1.26 -0.98 115.29 125.89 3ijr s HIS 279 Ca -0.02 -0.30 0.03 0.00 -0.15 0.00 0.00 55.06 54.62 3ijr s HIS 279 Cb -0.12 -2.75 0.15 0.00 1.11 0.00 0.00 32.58 30.97 3ijr s HIS 279 CO -0.13 -0.58 0.37 0.08 -0.85 0.00 0.00 174.74 173.63 3ijr s VAL 280 N 2.00 2.88 -0.00 -0.90 1.01 -1.03 -4.90 120.40 119.46 3ijr s VAL 280 Ca 0.10 -3.57 0.00 0.00 0.00 0.00 0.00 61.98 58.52 3ijr s VAL 280 Cb -0.17 -2.94 0.00 0.00 0.00 0.00 0.00 36.38 33.27 3ijr s VAL 280 CO 0.12 -0.88 0.89 -0.46 0.00 0.00 0.00 175.10 174.77 3ijr n ASN 281 N 2.81 0.01 -0.01 3.32 0.23 -1.26 -0.96 115.26 119.40 3ijr n ASN 281 Ca 0.10 -1.77 -0.00 0.00 -0.53 0.00 0.00 54.58 52.37 3ijr n ASN 281 Cb 0.34 -0.15 -0.00 0.00 -2.08 0.00 0.00 39.78 37.88 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 -0.01 0.46 0.00 4.83 0.00 -1.26 -3.92 105.19 105.29 3ijr n GLY 282 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.94 0.94 3.68 -0.02 0.00 -1.26 -3.15 105.19 102.44 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 3.71 -0.00 1.61 1.01 -1.25 -4.73 120.40 118.74 3ijr s VAL 284 Ca 0.00 1.02 -0.30 0.00 0.00 0.00 0.00 61.98 62.71 3ijr s VAL 284 Cb 0.00 -3.66 -0.03 0.00 0.00 0.00 0.00 36.38 32.69 3ijr s VAL 284 CO 0.00 -0.04 0.96 -0.63 0.00 0.00 0.00 175.10 175.40 3ijr s ILE 285 N 2.97 4.88 -0.11 2.22 -1.09 -1.26 -4.95 121.20 123.86 3ijr s ILE 285 Ca 0.65 2.03 0.18 0.00 -2.23 0.00 0.00 60.65 61.28 3ijr s ILE 285 Cb -0.31 -4.30 0.41 0.00 -1.58 0.00 0.00 42.46 36.68 3ijr s ILE 285 CO 0.26 0.17 1.19 1.33 -1.23 0.00 0.00 174.94 176.66 3ijr n VAL 286 N 3.89 1.19 -2.59 2.92 0.24 -1.26 -4.94 118.33 117.79 3ijr n VAL 286 Ca 0.06 -2.19 -0.20 0.00 -2.04 0.00 0.00 64.34 59.97 3ijr n VAL 286 Cb 0.51 0.32 0.00 0.00 -1.47 0.00 0.00 33.84 33.20 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 -0.39 -5.52 0.00 -1.34 5.15 -1.26 -5.04 115.26 106.85 3ijr n ASN 287 Ca 0.13 -0.06 0.13 0.00 -0.60 0.00 0.00 54.58 54.18 3ijr n ASN 287 Cb 0.89 -4.57 0.79 0.00 -0.53 0.00 0.00 39.78 36.36 3ijr n ASN 287 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27