#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ijr n THR 9 N 0.00 0.99 -4.19 2.52 -2.24 -0.35 -4.98 114.28 106.02 3ijr n THR 9 Ca 0.00 0.25 -0.35 0.00 -2.27 0.00 0.00 64.05 61.68 3ijr n THR 9 Cb 0.00 -1.05 -0.10 0.00 -2.10 0.00 0.00 70.33 67.09 3ijr n THR 9 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3ijr s PRO 11 N -2.83 3.51 0.07 -0.78 0.04 -1.26 -5.07 135.00 128.69 3ijr s PRO 11 Ca 0.08 -0.37 -0.34 0.00 0.04 0.00 0.00 61.00 60.41 3ijr s PRO 11 Cb 0.08 -3.01 -0.13 0.00 0.04 0.00 0.00 34.50 31.48 3ijr s PRO 11 CO 0.20 0.48 1.68 0.00 0.04 0.00 0.00 177.00 179.40 3ijr n ALA 12 N 2.87 1.17 -3.48 8.56 0.00 -1.26 -4.63 120.51 123.74 3ijr n ALA 12 Ca -0.18 0.39 -0.10 0.00 0.00 0.00 0.00 53.44 53.55 3ijr n ALA 12 Cb 0.53 -2.40 -0.02 0.00 0.00 0.00 0.00 19.45 17.56 3ijr n ALA 12 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 3ijr s GLN 13 N 2.04 0.98 -0.16 0.00 -2.07 -1.26 -5.02 119.66 114.17 3ijr s GLN 13 Ca 0.84 -0.36 -0.26 0.00 -1.82 0.00 0.00 55.36 53.75 3ijr s GLN 13 Cb -0.69 0.45 0.07 0.00 -1.09 0.00 0.00 33.01 31.75 3ijr s GLN 13 CO 0.43 -0.43 0.66 -1.58 -1.32 0.00 0.00 175.29 173.05 3ijr s HIS 14 N -3.33 -0.68 -0.05 9.60 2.46 -1.26 -4.20 115.29 117.82 3ijr s HIS 14 Ca 0.04 1.47 0.03 0.00 0.47 0.00 0.00 55.06 57.07 3ijr s HIS 14 Cb -0.01 0.31 -0.03 0.00 -0.13 0.00 0.00 32.58 32.72 3ijr s HIS 14 CO -0.10 -0.46 -0.12 -0.65 -2.47 0.00 0.00 174.74 170.94 3ijr s GLN 15 N -0.33 2.56 0.31 2.88 -0.21 0.02 -4.98 119.66 119.91 3ijr s GLN 15 Ca -0.05 -0.66 0.15 0.00 0.02 0.00 0.00 55.36 54.82 3ijr s GLN 15 Cb -0.03 -2.44 0.40 0.00 1.00 0.00 0.00 33.01 31.94 3ijr s GLN 15 CO 0.05 0.63 1.60 -0.91 -2.12 0.00 0.00 175.29 174.54 3ijr h ASN 16 N 5.24 0.00 -3.89 5.90 2.35 -1.89 -3.39 115.58 119.89 3ijr h ASN 16 Ca -0.47 0.00 -0.68 0.00 -0.55 0.00 0.00 56.30 54.59 3ijr h ASN 16 Cb 1.16 0.00 -0.21 0.00 0.05 0.00 0.00 38.32 39.32 3ijr h ASN 16 CO 0.51 0.51 -0.84 -1.59 -1.65 0.00 0.00 177.43 174.37 3ijr s LYS 17 N -3.36 1.68 -0.02 0.81 0.00 -1.26 -5.08 119.74 112.51 3ijr s LYS 17 Ca 0.01 -1.21 0.08 0.00 0.00 0.00 0.00 55.97 54.84 3ijr s LYS 17 Cb 0.10 -2.03 -0.02 0.00 0.00 0.00 0.00 37.83 35.89 3ijr s LYS 17 CO 0.72 0.48 -0.24 -1.14 0.00 0.00 0.00 175.35 175.17 3ijr s GLN 18 N -1.93 1.96 0.30 1.78 0.74 -1.26 -3.81 119.66 117.44 3ijr s GLN 18 Ca 0.15 -0.88 -0.29 0.00 0.05 0.00 0.00 55.36 54.39 3ijr s GLN 18 Cb -0.10 -1.91 -0.11 0.00 1.10 0.00 0.00 33.01 31.99 3ijr s GLN 18 CO 0.07 0.52 1.50 -2.14 -0.55 0.00 0.00 175.29 174.69 3ijr s PRO 19 N -0.59 4.19 0.90 1.67 0.02 -1.26 -5.15 135.00 134.78 3ijr s PRO 19 Ca 0.09 2.45 -0.11 0.00 0.02 0.00 0.00 61.00 63.46 3ijr s PRO 19 Cb -0.09 -3.05 0.13 0.00 0.02 0.00 0.00 34.50 31.52 3ijr s PRO 19 CO -0.01 -0.50 1.10 0.20 -0.33 0.00 0.00 177.00 177.46 3ijr s GLY 20 N 0.23 1.65 -0.20 0.52 0.00 -1.25 -5.03 107.32 103.24 3ijr s GLY 20 Ca 0.59 0.25 -0.05 0.00 0.00 0.00 0.00 44.72 45.51 3ijr s GLY 20 CO 0.50 0.71 -0.01 -0.42 0.00 0.00 0.00 173.10 173.87 3ijr s ILE 21 N -2.77 3.83 0.18 0.90 -1.09 -1.26 -4.85 121.20 116.14 3ijr s ILE 21 Ca 0.65 -0.35 -0.10 0.00 -2.23 0.00 0.00 60.65 58.62 3ijr s ILE 21 Cb -0.20 -2.73 0.07 0.00 -1.58 0.00 0.00 42.46 38.01 3ijr s ILE 21 CO 0.58 0.43 1.65 -0.08 -1.23 0.00 0.00 174.94 176.28 3ijr h GLU 22 N 7.62 1.06 0.00 2.79 4.81 -1.96 -2.95 114.58 125.95 3ijr h GLU 22 Ca -0.37 -0.32 0.00 0.00 -0.13 0.00 0.00 59.36 58.54 3ijr h GLU 22 Cb 1.18 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.45 3ijr h GLU 22 CO 0.60 1.02 0.03 -1.13 -0.73 0.00 0.00 179.01 178.80 3ijr n SER 23 N -4.22 0.33 -3.56 1.04 3.41 -1.26 -4.85 113.62 104.52 3ijr n SER 23 Ca 0.03 0.64 -0.41 0.00 -0.26 0.00 0.00 58.87 58.87 3ijr n SER 23 Cb 0.33 -0.67 0.01 0.00 -0.26 0.00 0.00 64.21 63.61 3ijr n SER 23 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3ijr n LEU 24 N -1.95 7.73 0.00 1.04 4.77 -1.12 -5.10 117.00 122.37 3ijr n LEU 24 Ca -0.01 -5.12 0.00 0.00 -0.03 0.00 0.00 56.01 50.85 3ijr n LEU 24 Cb 0.05 -1.27 0.00 0.00 -2.33 0.00 0.00 43.42 39.87 3ijr n LEU 24 CO 0.06 2.05 0.00 -3.20 -1.33 0.00 0.00 177.39 174.97 3ijr n ASN 26 N 0.92 0.00 -4.83 -1.43 5.15 -1.26 -5.09 115.26 108.72 3ijr n ASN 26 Ca 0.55 0.00 -0.29 0.00 -0.60 0.00 0.00 54.58 54.24 3ijr n ASN 26 Cb 0.25 0.00 0.10 0.00 -0.53 0.00 0.00 39.78 39.60 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 1.91 0.09 1.20 0.04 -1.26 -4.51 135.00 132.48 3ijr s PRO 27 Ca 0.00 0.40 -0.30 0.00 0.04 0.00 0.00 61.00 61.14 3ijr s PRO 27 Cb 0.00 -1.92 -0.06 0.00 0.04 0.00 0.00 34.50 32.56 3ijr s PRO 27 CO 0.00 -1.69 1.11 -0.51 0.04 0.00 0.00 177.00 175.96 3ijr s LEU 28 N -5.74 4.42 0.39 -3.56 1.43 -1.26 -4.98 118.68 109.38 3ijr s LEU 28 Ca 0.61 1.97 -0.26 0.00 -1.03 0.00 0.00 54.13 55.42 3ijr s LEU 28 Cb -0.13 -3.59 -0.11 0.00 0.03 0.00 0.00 46.19 42.39 3ijr s LEU 28 CO 0.52 -0.33 1.21 -2.65 0.23 0.00 0.00 176.35 175.33 3ijr n PRO 29 N 3.33 1.82 -2.97 1.29 -0.02 -1.26 -4.92 135.00 132.28 3ijr n PRO 29 Ca 0.06 0.65 -0.43 0.00 -2.02 0.00 0.00 63.50 61.76 3ijr n PRO 29 Cb 0.47 -2.27 -0.05 0.00 -0.02 0.00 0.00 33.50 31.63 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 -2.05 3.57 0.00 -0.52 0.74 -1.26 -4.87 119.66 115.27 3ijr s GLN 30 Ca 0.60 0.09 0.21 0.00 0.05 0.00 0.00 55.36 56.31 3ijr s GLN 30 Cb -0.54 -3.87 -0.00 0.00 1.10 0.00 0.00 33.01 29.69 3ijr s GLN 30 CO 0.59 -0.98 1.04 1.97 -0.55 0.00 0.00 175.29 177.35 3ijr n PHE 31 N 6.56 0.00 -4.18 1.67 1.16 -1.26 -1.88 117.46 119.52 3ijr n PHE 31 Ca 0.02 0.00 -0.17 0.00 -1.87 0.00 0.00 57.45 55.44 3ijr n PHE 31 Cb 0.48 0.00 -0.15 0.00 -1.61 0.00 0.00 39.48 38.21 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 -2.32 0.50 -0.32 3.97 2.12 -1.26 -4.18 118.70 117.22 3ijr s GLU 32 Ca 0.18 -0.19 -0.14 0.00 0.36 0.00 0.00 54.97 55.17 3ijr s GLU 32 Cb 0.17 -0.49 -0.02 0.00 0.26 0.00 0.00 34.13 34.04 3ijr s GLU 32 CO 0.52 0.10 0.34 0.34 -0.54 0.00 0.00 175.26 176.02 3ijr s ASP 33 N -0.01 6.17 0.40 -1.70 2.15 -1.26 -4.93 116.67 117.49 3ijr s ASP 33 Ca 0.01 -0.12 0.09 0.00 0.43 0.00 0.00 52.55 52.96 3ijr s ASP 33 Cb -0.04 -2.19 0.88 0.00 -0.30 0.00 0.00 42.92 41.28 3ijr s ASP 33 CO -0.00 -0.27 1.99 1.55 -0.17 0.00 0.00 175.17 178.27 3ijr h PRO 34 N 8.40 0.55 0.00 4.34 0.13 -2.03 -1.44 132.00 141.96 3ijr h PRO 34 Ca -0.31 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 3ijr h PRO 34 Cb 1.15 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.16 3ijr h PRO 34 CO 0.66 0.37 0.00 0.09 -0.23 0.00 0.00 178.00 178.89 3ijr n ASN 35 N -4.48 0.00 -4.72 1.44 3.02 -1.26 -4.88 115.26 104.38 3ijr n ASN 35 Ca 0.09 0.20 -0.42 0.00 -0.03 0.00 0.00 54.58 54.42 3ijr n ASN 35 Cb 0.25 -0.40 -0.03 0.00 -0.61 0.00 0.00 39.78 38.99 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 -2.80 3.09 -0.16 3.10 5.04 -0.54 -4.99 117.35 120.10 3ijr s TYR 36 Ca 0.21 0.79 0.02 0.00 -2.44 0.00 0.00 57.07 55.64 3ijr s TYR 36 Cb 0.19 -3.85 0.02 0.00 0.35 0.00 0.00 41.96 38.67 3ijr s TYR 36 CO 0.49 -3.03 -0.20 0.21 -1.34 0.00 0.00 175.55 171.69 3ijr s LYS 37 N 0.79 2.88 0.71 4.97 2.20 -1.26 -5.02 119.74 125.01 3ijr s LYS 37 Ca 0.66 -0.79 -0.11 0.00 -0.36 0.00 0.00 55.97 55.37 3ijr s LYS 37 Cb -0.42 -2.42 0.02 0.00 -1.51 0.00 0.00 37.83 33.50 3ijr s LYS 37 CO 0.34 -0.12 1.07 0.20 -0.36 0.00 0.00 175.35 176.47 3ijr s GLY 38 N 1.10 1.71 -0.11 5.54 0.00 -1.26 -5.00 107.32 109.30 3ijr s GLY 38 Ca -0.01 0.16 0.18 0.00 0.00 0.00 0.00 44.72 45.05 3ijr s GLY 38 CO -0.08 0.48 1.17 -1.14 0.00 0.00 0.00 173.10 173.54 3ijr n SER 39 N -3.14 0.35 -2.09 1.64 3.41 -1.26 -5.00 113.62 107.54 3ijr n SER 39 Ca 0.08 -2.03 -0.20 0.00 -0.26 0.00 0.00 58.87 56.46 3ijr n SER 39 Cb 0.53 -0.07 -0.02 0.00 -0.26 0.00 0.00 64.21 64.38 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 -0.16 -1.52 0.28 4.33 1.02 -1.26 -4.89 120.64 118.44 3ijr n GLU 40 Ca -0.05 1.00 0.12 0.00 -0.02 0.00 0.00 57.16 58.21 3ijr n GLU 40 Cb 0.93 -5.54 0.79 0.00 -0.02 0.00 0.00 31.44 27.60 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 -0.15 3.49 1.57 -1.90 -2.87 116.57 116.70 3ijr h LYS 41 Ca -0.45 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.17 3ijr h LYS 41 Cb 1.33 0.00 -0.22 0.00 0.08 0.00 0.00 32.23 33.43 3ijr h LYS 41 CO 0.56 0.02 -0.76 1.28 -0.57 0.00 0.00 179.45 179.97 3ijr n LEU 42 N -4.08 2.44 -4.68 2.94 4.77 -0.39 -4.57 117.00 113.43 3ijr n LEU 42 Ca -0.03 -3.40 -0.44 0.00 -0.03 0.00 0.00 56.01 52.11 3ijr n LEU 42 Cb 0.11 -0.25 -0.04 0.00 -2.33 0.00 0.00 43.42 40.91 3ijr n LEU 42 CO 0.30 1.22 1.46 1.17 -1.33 0.00 0.00 177.39 180.21 3ijr n LYS 43 N -0.54 2.61 -1.00 3.23 3.00 -0.84 -1.32 118.16 123.29 3ijr n LYS 43 Ca 0.18 0.95 0.00 0.00 -0.00 0.00 0.00 58.31 59.44 3ijr n LYS 43 Cb 0.88 -2.83 0.00 0.00 0.00 0.00 0.00 35.03 33.08 3ijr n LYS 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3ijr n GLY 44 N 4.19 0.91 3.78 3.14 0.00 -0.60 -4.95 105.19 111.66 3ijr n GLY 44 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.01 4.46 -0.25 1.61 -0.14 -0.44 -4.84 119.74 120.14 3ijr s LYS 45 Ca 0.00 1.38 -0.07 0.00 -1.36 0.00 0.00 55.97 55.91 3ijr s LYS 45 Cb 0.00 -2.71 -0.03 0.00 -1.68 0.00 0.00 37.83 33.42 3ijr s LYS 45 CO 0.00 0.15 0.07 -0.80 -0.76 0.00 0.00 175.35 174.01 3ijr s ASN 46 N -1.62 5.09 -0.02 2.83 0.01 -1.26 -0.10 114.94 119.87 3ijr s ASN 46 Ca 0.53 -0.21 0.06 0.00 -0.71 0.00 0.00 52.86 52.52 3ijr s ASN 46 Cb -0.19 -1.91 -0.02 0.00 0.41 0.00 0.00 41.25 39.53 3ijr s ASN 46 CO 0.24 -0.03 -0.20 -0.69 -1.51 0.00 0.00 177.10 174.91 3ijr s VAL 47 N 1.61 2.61 -0.23 1.60 1.01 0.13 -1.14 120.40 125.99 3ijr s VAL 47 Ca 0.06 -0.96 -0.01 0.00 0.00 0.00 0.00 61.98 61.08 3ijr s VAL 47 Cb -0.15 -1.99 0.02 0.00 0.00 0.00 0.00 36.38 34.26 3ijr s VAL 47 CO 0.03 0.54 -0.10 -0.22 0.00 0.00 0.00 175.10 175.35 3ijr s LEU 48 N -0.80 2.87 -0.22 3.92 2.96 -0.48 0.46 118.68 127.38 3ijr s LEU 48 Ca 0.11 -0.79 -0.00 0.00 -0.22 0.00 0.00 54.13 53.23 3ijr s LEU 48 Cb -0.10 -1.61 0.03 0.00 0.50 0.00 0.00 46.19 45.00 3ijr s LEU 48 CO 0.01 -0.08 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.20 3ijr s ILE 49 N 1.31 2.51 -0.03 6.68 1.01 -0.54 -0.19 121.20 131.95 3ijr s ILE 49 Ca 0.01 -1.03 -0.24 0.00 0.00 0.00 0.00 60.65 59.40 3ijr s ILE 49 Cb -0.16 -2.21 -0.04 0.00 0.01 0.00 0.00 42.46 40.06 3ijr s ILE 49 CO -0.07 0.32 0.72 0.42 0.00 0.00 0.00 174.94 176.33 3ijr s THR 50 N 1.29 4.94 -0.07 2.92 -4.23 0.17 -2.06 115.64 118.61 3ijr s THR 50 Ca 0.01 1.51 0.00 0.00 -1.18 0.00 0.00 61.69 62.03 3ijr s THR 50 Cb -0.15 -4.06 0.00 0.00 1.34 0.00 0.00 72.50 69.62 3ijr s THR 50 CO -0.08 0.30 0.00 0.61 -0.54 0.00 0.00 174.62 174.91 3ijr n GLY 51 N 2.82 0.36 0.40 3.99 0.00 0.16 -2.92 105.19 110.01 3ijr n GLY 51 Ca -0.02 -0.90 0.04 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.42 0.00 0.13 -0.02 0.00 -1.14 -3.98 105.19 98.77 3ijr n GLY 52 Ca -0.01 -0.24 0.04 0.00 0.00 0.00 0.00 46.02 45.81 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 1.29 0.00 -5.32 1.61 2.03 -1.83 -2.95 116.42 111.25 3ijr h ASP 53 Ca 0.00 0.00 -0.17 0.00 -0.73 0.00 0.00 57.03 56.13 3ijr h ASP 53 Cb 0.29 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 38.74 3ijr h ASP 53 CO 0.00 0.39 -0.03 -0.94 -1.03 0.00 0.00 179.24 177.63 3ijr s SER 54 N -6.09 0.51 0.59 4.15 1.04 -1.26 -4.10 113.70 108.54 3ijr s SER 54 Ca 0.02 -1.31 0.00 0.00 0.48 0.00 0.00 55.95 55.14 3ijr s SER 54 Cb 0.08 0.72 0.00 0.00 0.10 0.00 0.00 66.02 66.91 3ijr s SER 54 CO 0.76 -1.41 0.00 0.61 0.98 0.00 0.00 173.24 174.18 3ijr n GLY 55 N -0.53 2.60 0.26 7.32 0.00 -1.26 -1.24 105.19 112.34 3ijr n GLY 55 Ca -0.02 -0.11 -0.05 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.74 -0.61 2.04 -1.89 -2.74 117.51 114.73 3ijr h ILE 56 Ca 0.00 -0.31 0.08 0.00 1.00 0.00 0.00 64.86 65.63 3ijr h ILE 56 Cb 0.00 0.20 -0.06 0.00 -0.74 0.00 0.00 36.82 36.22 3ijr h ILE 56 CO 0.00 0.16 0.42 1.23 0.00 0.00 0.00 178.15 179.96 3ijr h GLY 57 N 0.90 1.12 0.93 5.37 0.00 -1.53 -0.30 103.07 109.55 3ijr h GLY 57 Ca 0.24 -0.28 0.01 0.00 0.00 0.00 0.00 47.33 47.30 3ijr h GLY 57 CO -0.05 0.14 0.06 -0.09 0.00 0.00 0.00 176.54 176.60 3ijr h ARG 58 N 0.73 0.13 -0.60 4.80 2.43 -0.92 0.54 114.38 121.49 3ijr h ARG 58 Ca 0.35 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.46 3ijr h ARG 58 Cb 0.27 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.76 3ijr h ARG 58 CO -0.22 0.09 0.18 0.00 -1.51 0.00 0.00 179.97 178.51 3ijr h ALA 59 N 1.08 1.18 -0.23 2.80 0.00 -1.14 -1.80 119.26 121.15 3ijr h ALA 59 Ca 0.06 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 3ijr h ALA 59 Cb 0.02 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3ijr h ALA 59 CO -0.05 0.57 -0.06 0.28 0.00 0.00 0.00 179.25 179.99 3ijr h VAL 60 N 0.89 1.29 -0.46 0.00 2.07 -0.81 -1.66 116.25 117.57 3ijr h VAL 60 Ca 0.20 -1.06 0.08 0.00 0.82 0.00 0.00 66.70 66.73 3ijr h VAL 60 Cb 0.27 1.52 -0.06 0.00 -1.52 0.00 0.00 31.29 31.49 3ijr h VAL 60 CO -0.01 0.33 0.09 0.28 0.02 0.00 0.00 177.57 178.28 3ijr h SER 61 N 0.17 0.00 -0.39 0.57 0.02 -0.57 -0.23 113.55 113.13 3ijr h SER 61 Ca 0.06 0.08 -0.14 0.00 -0.84 0.00 0.00 61.79 60.95 3ijr h SER 61 Cb 0.52 0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.16 3ijr h SER 61 CO 0.02 0.03 -0.31 0.40 -1.14 0.00 0.00 176.83 175.84 3ijr h ILE 62 N 0.22 1.28 -0.69 3.27 2.04 -1.30 -1.63 117.51 120.70 3ijr h ILE 62 Ca 0.23 -1.47 -0.07 0.00 1.00 0.00 0.00 64.86 64.54 3ijr h ILE 62 Cb 0.29 1.36 -0.03 0.00 -0.74 0.00 0.00 36.82 37.70 3ijr h ILE 62 CO -0.30 0.49 0.14 0.00 0.00 0.00 0.00 178.15 178.48 3ijr h ALA 63 N 0.78 0.94 -0.71 1.87 0.00 -0.94 -1.65 119.26 119.55 3ijr h ALA 63 Ca 0.07 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 3ijr h ALA 63 Cb 0.89 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 3ijr h ALA 63 CO 0.08 0.67 0.20 0.74 0.00 0.00 0.00 179.25 180.94 3ijr h PHE 64 N 1.05 1.15 -0.41 0.00 -1.00 -0.94 -1.39 116.94 115.40 3ijr h PHE 64 Ca 0.21 -0.12 -0.05 0.00 2.81 0.00 0.00 57.97 60.82 3ijr h PHE 64 Cb 0.41 -0.33 -0.02 0.00 3.61 0.00 0.00 35.95 39.62 3ijr h PHE 64 CO 0.03 0.92 0.04 0.00 -1.61 0.00 0.00 178.31 177.69 3ijr h ALA 65 N 1.15 0.55 -0.22 2.45 0.00 -1.06 -0.71 119.26 121.41 3ijr h ALA 65 Ca 0.23 -0.23 0.06 0.00 0.00 0.00 0.00 54.91 54.97 3ijr h ALA 65 Cb 0.32 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3ijr h ALA 65 CO -0.00 0.29 0.17 0.87 0.00 0.00 0.00 179.25 180.57 3ijr h LYS 66 N 0.54 0.00 -0.16 0.00 1.57 -0.95 0.75 116.57 118.33 3ijr h LYS 66 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3ijr h LYS 66 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 3ijr h LYS 66 CO 0.01 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 179.28 3ijr n GLU 67 N -4.36 1.63 -0.23 3.15 -0.58 -0.56 -4.34 120.64 115.36 3ijr n GLU 67 Ca 0.02 -0.96 0.00 0.00 -0.42 0.00 0.00 57.16 55.81 3ijr n GLU 67 Cb 0.32 -1.37 0.00 0.00 -0.57 0.00 0.00 31.44 29.82 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 1.07 0.88 3.85 0.62 0.00 0.26 -1.27 105.19 110.61 3ijr n GLY 68 Ca 0.15 -0.02 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 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 3.51 0.01 4.61 0.00 -0.38 -1.56 121.76 125.95 3ijr s ALA 69 Ca 0.00 -0.10 -0.21 0.00 0.00 0.00 0.00 51.96 51.65 3ijr s ALA 69 Cb 0.00 -2.58 -0.05 0.00 0.00 0.00 0.00 23.12 20.49 3ijr s ALA 69 CO 0.00 0.43 0.62 -0.80 0.00 0.00 0.00 175.76 176.01 3ijr s ASN 70 N -1.98 7.02 -0.15 0.00 0.01 0.86 -4.14 114.94 116.56 3ijr s ASN 70 Ca 0.44 1.21 0.02 0.00 -0.71 0.00 0.00 52.86 53.82 3ijr s ASN 70 Cb -0.13 -2.38 0.01 0.00 0.41 0.00 0.00 41.25 39.16 3ijr s ASN 70 CO 0.20 0.10 -0.21 -0.63 -1.51 0.00 0.00 177.10 175.05 3ijr s ILE 71 N -0.24 2.02 -0.27 0.60 -1.09 -0.40 0.20 121.20 122.03 3ijr s ILE 71 Ca 0.32 -0.95 -0.11 0.00 -2.23 0.00 0.00 60.65 57.69 3ijr s ILE 71 Cb -0.19 -1.80 -0.05 0.00 -1.58 0.00 0.00 42.46 38.85 3ijr s ILE 71 CO 0.18 0.54 0.17 0.00 -1.23 0.00 0.00 174.94 174.60 3ijr s ALA 72 N 0.96 3.52 -0.27 9.38 0.00 0.17 -1.21 121.76 134.31 3ijr s ALA 72 Ca -0.04 -1.04 -0.05 0.00 0.00 0.00 0.00 51.96 50.83 3ijr s ALA 72 Cb -0.15 -2.40 0.01 0.00 0.00 0.00 0.00 23.12 20.58 3ijr s ALA 72 CO -0.05 -0.45 0.03 0.42 0.00 0.00 0.00 175.76 175.71 3ijr s ILE 73 N 1.56 3.69 -0.01 0.00 1.01 0.11 -1.47 121.20 126.09 3ijr s ILE 73 Ca 0.07 -0.67 -0.04 0.00 0.00 0.00 0.00 60.65 60.01 3ijr s ILE 73 Cb -0.15 -2.84 -0.04 0.00 0.01 0.00 0.00 42.46 39.43 3ijr s ILE 73 CO 0.09 0.19 0.20 0.00 0.00 0.00 0.00 174.94 175.41 3ijr s ALA 74 N 1.47 3.93 0.24 9.38 0.00 -0.87 -0.08 121.76 135.83 3ijr s ALA 74 Ca 0.03 -0.72 -0.22 0.00 0.00 0.00 0.00 51.96 51.05 3ijr s ALA 74 Cb -0.16 -1.92 0.04 0.00 0.00 0.00 0.00 23.12 21.07 3ijr s ALA 74 CO 0.00 0.72 0.73 1.52 0.00 0.00 0.00 175.76 178.74 3ijr s TYR 75 N -1.31 -0.25 0.00 0.00 -0.85 -1.10 -0.66 117.35 113.18 3ijr s TYR 75 Ca 0.27 -0.14 0.00 0.00 -0.52 0.00 0.00 57.07 56.68 3ijr s TYR 75 Cb -0.13 0.67 0.00 0.00 0.38 0.00 0.00 41.96 42.88 3ijr s TYR 75 CO 0.18 -1.10 0.26 -0.11 -1.52 0.00 0.00 175.55 173.25 3ijr n LEU 76 N -0.44 0.69 -0.11 -3.49 7.94 -1.26 -0.84 117.00 119.49 3ijr n LEU 76 Ca -0.07 0.49 0.00 0.00 -1.11 0.00 0.00 56.01 55.32 3ijr n LEU 76 Cb 0.60 -0.33 0.00 0.00 0.53 0.00 0.00 43.42 44.22 3ijr n LEU 76 CO 0.14 -0.33 0.16 -0.90 -1.11 0.00 0.00 177.39 175.34 3ijr n ASP 77 N -1.50 0.00 -4.15 1.96 5.68 -1.26 -1.14 116.55 116.13 3ijr n ASP 77 Ca 0.00 -1.11 -0.43 0.00 -0.50 0.00 0.00 54.79 52.75 3ijr n ASP 77 Cb 0.00 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 39.96 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 3.13 -0.24 0.11 4.71 -1.26 -4.76 120.64 122.33 3ijr n GLU 78 Ca 0.00 -3.10 -0.07 0.00 -0.01 0.00 0.00 57.16 53.98 3ijr n GLU 78 Cb 0.52 -3.30 0.04 0.00 -1.01 0.00 0.00 31.44 27.69 3ijr n GLU 78 CO 0.00 0.00 0.00 1.49 0.09 0.00 0.00 177.13 178.71 3ijr h GLU 79 N 6.70 1.02 0.23 3.49 4.57 -1.98 0.17 114.58 128.78 3ijr h GLU 79 Ca 0.48 -0.19 -0.01 0.00 -1.18 0.00 0.00 59.36 58.45 3ijr h GLU 79 Cb 0.75 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.18 3ijr h GLU 79 CO 1.63 0.86 -0.11 0.78 -1.18 0.00 0.00 179.01 180.98 3ijr h GLY 80 N 0.97 -0.33 0.62 1.92 0.00 -1.99 0.75 103.07 105.00 3ijr h GLY 80 Ca 0.23 0.12 0.05 0.00 0.00 0.00 0.00 47.33 47.72 3ijr h GLY 80 CO -0.02 -0.12 0.08 -0.55 0.00 0.00 0.00 176.54 175.94 3ijr h ASP 81 N -0.50 0.05 -0.72 0.19 3.32 -1.85 -1.74 116.42 115.17 3ijr h ASP 81 Ca -0.03 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 3ijr h ASP 81 Cb 0.38 0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.95 3ijr h ASP 81 CO 0.05 0.06 0.39 0.00 -1.72 0.00 0.00 179.24 178.03 3ijr h ALA 82 N 1.25 0.92 -0.47 3.45 0.00 -0.48 -1.39 119.26 122.54 3ijr h ALA 82 Ca 0.16 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3ijr h ALA 82 Cb 0.17 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3ijr h ALA 82 CO -0.20 0.43 0.23 -0.97 0.00 0.00 0.00 179.25 178.74 3ijr h ASN 83 N 0.99 0.61 -0.37 0.00 -1.24 -0.60 -0.19 115.58 114.78 3ijr h ASN 83 Ca 0.25 -0.13 0.02 0.00 0.71 0.00 0.00 56.30 57.15 3ijr h ASN 83 Cb 0.04 -0.16 -0.03 0.00 0.73 0.00 0.00 38.32 38.91 3ijr h ASN 83 CO -0.04 0.56 0.21 -0.33 -1.29 0.00 0.00 177.43 176.54 3ijr h GLU 84 N 0.61 0.42 -0.72 6.67 5.08 -1.03 -0.37 114.58 125.25 3ijr h GLU 84 Ca 0.16 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.54 3ijr h GLU 84 Cb 0.11 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.22 3ijr h GLU 84 CO -0.02 0.28 0.44 1.15 -1.00 0.00 0.00 179.01 179.85 3ijr h THR 85 N 0.43 1.05 -0.57 1.13 2.02 -0.95 -1.54 112.91 114.48 3ijr h THR 85 Ca 0.15 -0.28 0.01 0.00 0.77 0.00 0.00 66.41 67.06 3ijr h THR 85 Cb 0.01 0.15 -0.03 0.00 -1.74 0.00 0.00 68.15 66.54 3ijr h THR 85 CO -0.07 0.15 0.38 0.50 0.37 0.00 0.00 175.52 176.85 3ijr h LYS 86 N 0.83 0.71 -0.12 6.66 3.64 -0.11 -0.51 116.57 127.69 3ijr h LYS 86 Ca 0.30 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.63 3ijr h LYS 86 Cb 0.09 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.74 3ijr h LYS 86 CO -0.14 0.47 0.02 1.96 -2.27 0.00 0.00 179.45 179.50 3ijr h GLN 87 N 0.74 0.19 -0.83 1.90 1.08 -0.10 -1.34 115.11 116.74 3ijr h GLN 87 Ca 0.22 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 57.35 3ijr h GLN 87 Cb -0.03 -0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 27.34 3ijr h GLN 87 CO -0.05 0.37 0.44 1.88 -0.95 0.00 0.00 178.83 180.51 3ijr h TYR 88 N -0.02 1.16 0.11 2.96 0.05 -0.86 -1.10 116.97 119.26 3ijr h TYR 88 Ca 0.04 -0.04 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 3ijr h TYR 88 Cb 0.27 -0.37 0.00 0.00 1.01 0.00 0.00 36.73 37.64 3ijr h TYR 88 CO 0.01 0.82 -0.05 0.28 -1.05 0.00 0.00 178.16 178.17 3ijr h VAL 89 N 1.17 0.99 0.00 -2.88 2.07 -1.00 -3.01 116.25 113.59 3ijr h VAL 89 Ca 0.29 -0.33 -0.03 0.00 0.82 0.00 0.00 66.70 67.44 3ijr h VAL 89 Cb 0.06 1.20 -0.00 0.00 -1.52 0.00 0.00 31.29 31.02 3ijr h VAL 89 CO -0.04 0.08 -0.17 -0.33 0.02 0.00 0.00 177.57 177.13 3ijr h GLU 90 N -0.29 0.00 -0.18 1.57 5.08 -1.12 -1.41 114.58 118.23 3ijr h GLU 90 Ca -0.01 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.40 3ijr h GLU 90 Cb 0.24 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 3ijr h GLU 90 CO 0.02 0.17 0.21 -0.22 -1.00 0.00 0.00 179.01 178.19 3ijr h LYS 91 N 0.00 0.00 -0.01 2.33 3.64 -1.05 0.14 116.57 121.61 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 0.56 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 3ijr h LYS 91 CO 0.02 0.00 0.00 0.39 -2.27 0.00 0.00 179.45 177.59 3ijr n GLU 92 N -3.74 1.40 -1.11 1.90 -0.58 -0.53 -4.94 120.64 113.04 3ijr n GLU 92 Ca 0.02 -0.59 0.00 0.00 -0.42 0.00 0.00 57.16 56.17 3ijr n GLU 92 Cb 0.34 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.73 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 1.10 0.38 3.77 0.62 0.00 0.49 -4.91 105.19 106.64 3ijr n GLY 93 Ca 0.21 -1.07 -0.27 0.00 0.00 0.00 0.00 46.02 44.89 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 1.94 0.20 1.61 -7.23 -1.26 -5.09 120.40 108.57 3ijr s VAL 94 Ca 0.00 -1.73 -0.21 0.00 -1.81 0.00 0.00 61.98 58.23 3ijr s VAL 94 Cb 0.00 -2.66 -0.08 0.00 0.56 0.00 0.00 36.38 34.19 3ijr s VAL 94 CO 0.00 0.00 0.73 -0.54 -0.31 0.00 0.00 175.10 174.98 3ijr s LYS 95 N -3.97 4.33 -0.03 4.82 1.02 -1.26 -4.49 119.74 120.17 3ijr s LYS 95 Ca 0.33 0.94 0.00 0.00 0.02 0.00 0.00 55.97 57.26 3ijr s LYS 95 Cb 0.03 -2.99 0.02 0.00 -0.52 0.00 0.00 37.83 34.37 3ijr s LYS 95 CO 0.18 0.45 0.00 0.00 -0.92 0.00 0.00 175.35 175.06 3ijr s VAL 97 N 0.91 1.85 -0.21 0.00 1.01 -0.35 -5.00 120.40 118.62 3ijr s VAL 97 Ca -0.09 -0.93 -0.10 0.00 0.00 0.00 0.00 61.98 60.87 3ijr s VAL 97 Cb -0.12 -1.59 -0.05 0.00 0.00 0.00 0.00 36.38 34.62 3ijr s VAL 97 CO -0.02 0.52 0.12 -0.76 0.00 0.00 0.00 175.10 174.96 3ijr s LEU 98 N 0.13 4.09 -0.59 3.92 1.43 -1.26 0.04 118.68 126.43 3ijr s LEU 98 Ca -0.10 0.16 0.04 0.00 -1.03 0.00 0.00 54.13 53.21 3ijr s LEU 98 Cb -0.15 -2.06 0.16 0.00 0.03 0.00 0.00 46.19 44.17 3ijr s LEU 98 CO 0.05 0.15 0.42 -0.76 0.23 0.00 0.00 176.35 176.44 3ijr s LEU 99 N 0.55 3.67 0.71 1.79 1.43 0.89 -4.94 118.68 122.77 3ijr s LEU 99 Ca 0.07 -3.50 -0.11 0.00 -1.03 0.00 0.00 54.13 49.56 3ijr s LEU 99 Cb -0.12 -1.25 0.02 0.00 0.03 0.00 0.00 46.19 44.87 3ijr s LEU 99 CO 0.00 -0.13 1.07 -2.16 0.23 0.00 0.00 176.35 175.36 3ijr s PRO 100 N -0.83 2.83 0.00 1.29 0.04 -1.26 -2.71 135.00 134.35 3ijr s PRO 100 Ca 0.26 1.00 0.00 0.00 0.04 0.00 0.00 61.00 62.30 3ijr s PRO 100 Cb -0.05 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.52 3ijr s PRO 100 CO -0.15 -1.19 0.00 0.41 0.04 0.00 0.00 177.00 176.11 3ijr n GLY 101 N -1.82 4.14 3.55 0.56 0.00 -0.02 -4.87 105.19 106.72 3ijr n GLY 101 Ca 0.08 -1.40 -0.43 0.00 0.00 0.00 0.00 46.02 44.27 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 6.45 0.00 1.61 -1.08 -1.26 -4.00 116.67 118.39 3ijr s ASP 102 Ca 0.00 0.01 0.18 0.00 -0.52 0.00 0.00 52.55 52.22 3ijr s ASP 102 Cb 0.00 -2.41 1.07 0.00 -1.46 0.00 0.00 42.92 40.12 3ijr s ASP 102 CO 0.00 -0.95 1.64 0.18 0.52 0.00 0.00 175.17 176.56 3ijr n LEU 103 N 6.85 0.00 -0.01 -1.34 4.77 -1.26 -2.78 117.00 123.22 3ijr n LEU 103 Ca 0.04 0.00 0.15 0.00 -0.03 0.00 0.00 56.01 56.17 3ijr n LEU 103 Cb 0.48 0.00 0.85 0.00 -2.33 0.00 0.00 43.42 42.42 3ijr n LEU 103 CO 0.60 0.00 1.06 -1.54 -1.33 0.00 0.00 177.39 176.18 3ijr n SER 104 N -0.80 0.05 -4.48 -1.43 3.41 -1.26 -4.58 113.62 104.53 3ijr n SER 104 Ca 0.13 -0.65 -0.36 0.00 -0.26 0.00 0.00 58.87 57.73 3ijr n SER 104 Cb 0.06 -0.12 -0.12 0.00 -0.26 0.00 0.00 64.21 63.77 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 -2.25 5.23 0.21 4.04 2.15 -1.12 -4.90 116.67 120.04 3ijr s ASP 105 Ca 0.39 -0.16 -0.09 0.00 0.43 0.00 0.00 52.55 53.12 3ijr s ASP 105 Cb 0.21 -1.94 0.31 0.00 -0.30 0.00 0.00 42.92 41.20 3ijr s ASP 105 CO 0.41 -0.01 1.74 -0.08 -0.17 0.00 0.00 175.17 177.06 3ijr h GLU 106 N 8.03 0.38 -0.54 4.34 4.81 -1.89 -2.53 114.58 127.18 3ijr h GLU 106 Ca -0.38 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 58.85 3ijr h GLU 106 Cb 1.18 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.44 3ijr h GLU 106 CO 0.59 0.25 0.33 0.37 -0.73 0.00 0.00 179.01 179.83 3ijr h GLN 107 N 0.40 0.65 -0.39 1.92 5.75 -1.95 -0.65 115.11 120.83 3ijr h GLN 107 Ca 0.32 -0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 58.77 3ijr h GLN 107 Cb 0.43 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.81 3ijr h GLN 107 CO -0.33 0.43 0.17 1.25 -2.65 0.00 0.00 178.83 177.70 3ijr h HIS 108 N 0.67 0.53 -0.89 3.99 2.76 -1.77 0.97 115.15 121.41 3ijr h HIS 108 Ca 0.21 -0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.39 3ijr h HIS 108 Cb -0.01 -0.17 -0.05 0.00 1.55 0.00 0.00 27.41 28.74 3ijr h HIS 108 CO -0.05 0.41 0.59 0.00 -1.30 0.00 0.00 177.93 177.57 3ijr h LYS 110 N 1.16 0.27 -0.83 0.00 1.57 -0.58 -3.27 116.57 114.89 3ijr h LYS 110 Ca 0.33 -0.14 0.06 0.00 -1.87 0.00 0.00 60.65 59.04 3ijr h LYS 110 Cb -0.08 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.17 3ijr h LYS 110 CO -0.08 0.67 0.50 -0.44 -0.57 0.00 0.00 179.45 179.53 3ijr h ASP 111 N -0.13 0.78 0.04 0.86 3.32 0.15 -1.49 116.42 119.95 3ijr h ASP 111 Ca 0.02 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.05 3ijr h ASP 111 Cb 0.62 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 3ijr h ASP 111 CO 0.03 0.50 -0.12 0.16 -1.72 0.00 0.00 179.24 178.08 3ijr h ILE 112 N 0.91 1.16 -0.10 0.35 3.07 -1.13 -0.39 117.51 121.38 3ijr h ILE 112 Ca 0.36 -0.69 -0.08 0.00 1.55 0.00 0.00 64.86 66.00 3ijr h ILE 112 Cb 0.19 1.20 0.00 0.00 -0.27 0.00 0.00 36.82 37.94 3ijr h ILE 112 CO -0.18 0.21 -0.27 0.58 -1.05 0.00 0.00 178.15 177.45 3ijr h VAL 113 N 0.18 1.40 -0.99 0.16 2.07 -1.36 -1.76 116.25 115.94 3ijr h VAL 113 Ca 0.04 -1.60 0.02 0.00 0.82 0.00 0.00 66.70 65.98 3ijr h VAL 113 Cb 0.33 2.18 -0.05 0.00 -1.52 0.00 0.00 31.29 32.23 3ijr h VAL 113 CO 0.02 0.46 0.65 -0.61 0.02 0.00 0.00 177.57 178.11 3ijr h GLN 114 N -0.10 1.27 -0.28 1.57 4.15 -0.98 -2.36 115.11 118.37 3ijr h GLN 114 Ca -0.01 -0.08 -0.14 0.00 0.77 0.00 0.00 58.65 59.19 3ijr h GLN 114 Cb 0.88 -0.29 -0.01 0.00 0.21 0.00 0.00 27.48 28.28 3ijr h GLN 114 CO 0.06 0.84 -0.41 1.49 -1.93 0.00 0.00 178.83 178.88 3ijr h GLU 115 N 1.31 0.69 -0.28 1.69 4.57 -1.09 -0.97 114.58 120.50 3ijr h GLU 115 Ca 0.37 -0.36 -0.02 0.00 -1.18 0.00 0.00 59.36 58.17 3ijr h GLU 115 Cb -0.11 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.48 3ijr h GLU 115 CO -0.09 0.97 0.10 1.15 -1.18 0.00 0.00 179.01 179.96 3ijr h THR 116 N 0.56 1.19 -0.26 0.32 2.02 -1.01 -1.23 112.91 114.51 3ijr h THR 116 Ca 0.04 -0.59 -0.07 0.00 0.77 0.00 0.00 66.41 66.56 3ijr h THR 116 Cb 0.95 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 68.40 3ijr h THR 116 CO 0.09 0.20 -0.14 0.58 0.37 0.00 0.00 175.52 176.62 3ijr h VAL 117 N 0.30 1.22 -0.13 3.16 2.07 -1.29 0.90 116.25 122.48 3ijr h VAL 117 Ca 0.09 -0.99 -0.20 0.00 0.82 0.00 0.00 66.70 66.43 3ijr h VAL 117 Cb 0.22 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 3ijr h VAL 117 CO -0.01 0.32 -0.71 0.08 0.02 0.00 0.00 177.57 177.27 3ijr h ARG 118 N 0.40 0.59 0.14 1.57 0.11 -0.84 -0.44 114.38 115.92 3ijr h ARG 118 Ca 0.08 -0.46 -0.33 0.00 0.10 0.00 0.00 59.98 59.36 3ijr h ARG 118 Cb 0.48 0.09 -0.00 0.00 1.11 0.00 0.00 29.97 31.64 3ijr h ARG 118 CO 0.03 1.08 -1.74 1.96 0.10 0.00 0.00 179.97 181.41 3ijr h GLN 119 N 0.41 0.30 0.00 0.08 1.08 -1.13 -3.37 115.11 112.48 3ijr h GLN 119 Ca -0.03 -0.51 -0.05 0.00 -1.45 0.00 0.00 58.65 56.61 3ijr h GLN 119 Cb 1.31 0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 28.92 3ijr h GLN 119 CO 0.14 1.24 -0.98 -0.07 -0.95 0.00 0.00 178.83 178.20 3ijr h LEU 120 N -0.06 0.00 0.00 1.46 3.38 -0.95 -3.48 115.31 115.66 3ijr h LEU 120 Ca -0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.61 3ijr h LEU 120 Cb 1.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.71 3ijr h LEU 120 CO 0.10 0.20 0.00 0.61 0.09 0.00 0.00 178.44 179.44 3ijr n GLY 121 N 1.24 3.17 3.88 0.83 0.00 -0.17 -4.99 105.19 109.14 3ijr n GLY 121 Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.99 3ijr n GLY 121 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ijr s SER 122 N -0.51 -0.01 -0.06 1.61 0.15 -1.23 -4.89 113.70 108.75 3ijr s SER 122 Ca 0.00 -0.45 0.00 0.00 0.70 0.00 0.00 55.95 56.20 3ijr s SER 122 Cb 0.00 0.35 0.02 0.00 -1.71 0.00 0.00 66.02 64.69 3ijr s SER 122 CO 0.00 -0.70 -0.03 -0.22 1.20 0.00 0.00 173.24 173.49 3ijr s LEU 123 N -3.45 1.04 -0.10 3.45 2.96 -1.26 -4.57 118.68 116.75 3ijr s LEU 123 Ca 0.23 -0.13 0.02 0.00 -0.22 0.00 0.00 54.13 54.02 3ijr s LEU 123 Cb -0.01 -0.49 -0.07 0.00 0.50 0.00 0.00 46.19 46.12 3ijr s LEU 123 CO 0.02 -0.11 -0.07 0.59 -1.32 0.00 0.00 176.35 175.46 3ijr n ASN 124 N 4.54 3.20 -3.88 3.68 4.13 -0.29 -4.50 115.26 122.14 3ijr n ASN 124 Ca -0.17 -0.05 -0.23 0.00 1.68 0.00 0.00 54.58 55.81 3ijr n ASN 124 Cb 0.50 -0.04 -0.17 0.00 -1.54 0.00 0.00 39.78 38.53 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 -2.20 0.68 -0.18 2.41 1.01 -0.96 -1.54 121.20 120.42 3ijr s ILE 125 Ca -0.12 -0.14 -0.03 0.00 0.00 0.00 0.00 60.65 60.36 3ijr s ILE 125 Cb 0.03 -0.72 -0.02 0.00 0.01 0.00 0.00 42.46 41.77 3ijr s ILE 125 CO 0.24 0.28 -0.06 -0.22 0.00 0.00 0.00 174.94 175.19 3ijr s LEU 126 N 1.35 2.96 -0.35 2.97 2.96 -0.47 -1.38 118.68 126.71 3ijr s LEU 126 Ca -0.04 -0.31 -0.01 0.00 -0.22 0.00 0.00 54.13 53.56 3ijr s LEU 126 Cb -0.14 -1.72 0.08 0.00 0.50 0.00 0.00 46.19 44.91 3ijr s LEU 126 CO -0.03 0.07 0.08 -0.69 -1.32 0.00 0.00 176.35 174.46 3ijr s VAL 127 N 0.94 2.99 -0.30 1.68 1.01 0.73 -0.85 120.40 126.60 3ijr s VAL 127 Ca -0.01 -1.77 -0.25 0.00 0.00 0.00 0.00 61.98 59.95 3ijr s VAL 127 Cb -0.15 -2.91 0.01 0.00 0.00 0.00 0.00 36.38 33.33 3ijr s VAL 127 CO 0.01 -0.39 0.88 0.20 0.00 0.00 0.00 175.10 175.80 3ijr s ASN 128 N 1.42 6.76 0.00 3.32 0.01 -0.29 -0.65 114.94 125.51 3ijr s ASN 128 Ca 0.02 0.81 0.00 0.00 -0.71 0.00 0.00 52.86 52.98 3ijr s ASN 128 Cb -0.21 -2.45 0.00 0.00 0.41 0.00 0.00 41.25 39.00 3ijr s ASN 128 CO -0.03 -0.69 0.00 -3.20 -1.51 0.00 0.00 177.10 171.67 3ijr n ASN 129 N 6.39 0.00 -4.77 -1.22 2.85 -1.15 -0.81 115.26 116.55 3ijr n ASN 129 Ca 0.06 -0.65 -0.33 0.00 -0.11 0.00 0.00 54.58 53.55 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 3.30 -0.10 3.44 -7.23 -1.15 -4.81 120.40 113.86 3ijr s VAL 130 Ca 0.00 0.62 -0.30 0.00 -1.81 0.00 0.00 61.98 60.49 3ijr s VAL 130 Cb 0.00 -3.15 0.12 0.00 0.56 0.00 0.00 36.38 33.91 3ijr s VAL 130 CO 0.00 -0.36 0.97 0.00 -0.31 0.00 0.00 175.10 175.40 3ijr s ALA 131 N -2.31 -1.90 0.06 1.32 0.00 -1.26 -4.71 121.76 112.96 3ijr s ALA 131 Ca 0.67 1.35 0.03 0.00 0.00 0.00 0.00 51.96 54.01 3ijr s ALA 131 Cb -0.20 -0.17 -0.03 0.00 0.00 0.00 0.00 23.12 22.72 3ijr s ALA 131 CO 0.40 -0.50 -0.10 -0.65 0.00 0.00 0.00 175.76 174.91 3ijr s GLN 132 N -2.10 0.66 -0.07 0.00 -0.21 -1.26 -4.99 119.66 111.69 3ijr s GLN 132 Ca 0.02 -0.87 -0.04 0.00 0.02 0.00 0.00 55.36 54.49 3ijr s GLN 132 Cb -0.01 -0.48 0.03 0.00 1.00 0.00 0.00 33.01 33.55 3ijr s GLN 132 CO -0.04 0.09 0.15 1.14 -2.12 0.00 0.00 175.29 174.52 3ijr s GLN 133 N -1.81 0.12 -0.45 2.91 -2.07 -1.26 -4.92 119.66 112.18 3ijr s GLN 133 Ca -0.05 0.34 0.03 0.00 -1.82 0.00 0.00 55.36 53.85 3ijr s GLN 133 Cb -0.09 -0.11 0.13 0.00 -1.09 0.00 0.00 33.01 31.85 3ijr s GLN 133 CO 0.01 -0.13 0.21 0.71 -1.32 0.00 0.00 175.29 174.77 3ijr s TYR 134 N 0.90 2.73 0.41 9.60 2.02 -1.26 -4.76 117.35 126.98 3ijr s TYR 134 Ca -0.07 -2.78 -0.26 0.00 -0.37 0.00 0.00 57.07 53.59 3ijr s TYR 134 Cb -0.09 -2.42 -0.10 0.00 -0.40 0.00 0.00 41.96 38.95 3ijr s TYR 134 CO -0.05 -0.80 1.37 -2.30 -1.57 0.00 0.00 175.55 172.21 3ijr n PRO 135 N 3.56 2.22 -3.88 -1.71 -0.02 -1.26 -4.90 135.00 129.01 3ijr n PRO 135 Ca 0.05 0.79 -0.11 0.00 -2.02 0.00 0.00 63.50 62.21 3ijr n PRO 135 Cb 0.35 -2.52 -0.10 0.00 -0.02 0.00 0.00 33.50 31.21 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 -2.24 0.46 0.29 -0.52 -1.52 -0.53 -5.04 119.66 110.57 3ijr s GLN 136 Ca 0.59 -0.40 0.25 0.00 -1.95 0.00 0.00 55.36 53.84 3ijr s GLN 136 Cb -0.49 0.19 1.02 0.00 -0.22 0.00 0.00 33.01 33.51 3ijr s GLN 136 CO 0.59 -0.11 1.74 -0.56 -0.25 0.00 0.00 175.29 176.71 3ijr h GLN 137 N 4.35 0.00 -1.90 2.91 3.07 -1.91 -3.40 115.11 118.22 3ijr h GLN 137 Ca -0.31 0.00 0.26 0.00 0.09 0.00 0.00 58.65 58.69 3ijr h GLN 137 Cb 1.20 0.00 -0.10 0.00 0.08 0.00 0.00 27.48 28.66 3ijr h GLN 137 CO 0.41 0.00 0.68 0.20 0.09 0.00 0.00 178.83 180.20 3ijr s GLY 138 N -3.62 -0.30 0.32 0.06 0.00 -1.26 -4.91 107.32 97.61 3ijr s GLY 138 Ca 0.04 0.37 0.02 0.00 0.00 0.00 0.00 44.72 45.16 3ijr s GLY 138 CO 0.42 0.39 1.91 -2.00 0.00 0.00 0.00 173.10 173.82 3ijr h LEU 139 N 2.00 0.84 -2.12 0.66 5.85 -1.89 -1.27 115.31 119.37 3ijr h LEU 139 Ca -0.27 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.46 3ijr h LEU 139 Cb 1.21 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.08 3ijr h LEU 139 CO 0.28 0.53 0.00 -0.33 -0.34 0.00 0.00 178.44 178.57 3ijr h GLU 140 N 0.94 0.00 -0.60 1.25 5.08 -2.00 -1.33 114.58 117.93 3ijr h GLU 140 Ca 0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.74 3ijr h GLU 140 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 3ijr h GLU 140 CO -0.15 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 178.52 3ijr n TYR 141 N -2.62 0.80 -3.51 4.33 4.02 -0.48 -4.82 117.16 114.88 3ijr n TYR 141 Ca -0.02 -0.40 -0.41 0.00 -0.01 0.00 0.00 57.90 57.06 3ijr n TYR 141 Cb 0.05 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.27 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 -1.20 5.28 0.62 -0.72 1.01 -0.50 -4.96 121.20 120.73 3ijr s ILE 142 Ca 0.44 -0.31 -0.10 0.00 0.00 0.00 0.00 60.65 60.68 3ijr s ILE 142 Cb 0.23 -3.77 -0.02 0.00 0.01 0.00 0.00 42.46 38.92 3ijr s ILE 142 CO 0.31 -0.08 0.99 0.42 0.00 0.00 0.00 174.94 176.59 3ijr s THR 143 N 1.72 4.28 0.36 2.92 -4.23 -1.26 -4.90 115.64 114.53 3ijr s THR 143 Ca 0.06 0.56 0.04 0.00 -1.18 0.00 0.00 61.69 61.17 3ijr s THR 143 Cb -0.18 -3.71 0.27 0.00 1.34 0.00 0.00 72.50 70.22 3ijr s THR 143 CO 0.10 -0.88 2.00 0.00 -0.54 0.00 0.00 174.62 175.31 3ijr h ALA 144 N -0.31 1.60 0.01 3.99 0.00 -1.99 -1.07 119.26 121.50 3ijr h ALA 144 Ca -0.45 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 3ijr h ALA 144 Cb 1.22 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3ijr h ALA 144 CO 0.62 0.34 -0.00 1.49 0.00 0.00 0.00 179.25 181.70 3ijr h GLU 145 N 0.81 -0.01 -0.62 0.00 4.81 -1.99 -0.95 114.58 116.62 3ijr h GLU 145 Ca 0.25 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.40 3ijr h GLU 145 Cb 0.00 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 3ijr h GLU 145 CO -0.06 0.04 0.09 0.37 -0.73 0.00 0.00 179.01 178.71 3ijr h GLN 146 N -0.06 1.03 0.08 1.92 4.15 -1.87 -1.46 115.11 118.91 3ijr h GLN 146 Ca -0.00 -0.28 0.02 0.00 0.77 0.00 0.00 58.65 59.15 3ijr h GLN 146 Cb 0.05 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 27.60 3ijr h GLN 146 CO 0.00 0.97 -0.17 1.25 -1.93 0.00 0.00 178.83 178.95 3ijr h LEU 147 N 0.94 -0.49 -0.51 -2.39 5.85 -0.99 -0.53 115.31 117.19 3ijr h LEU 147 Ca 0.19 0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.91 3ijr h LEU 147 Cb 0.44 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.64 3ijr h LEU 147 CO 0.01 -0.25 0.09 -0.33 -0.34 0.00 0.00 178.44 177.63 3ijr h GLU 148 N -0.33 0.84 -0.26 1.25 5.08 -1.13 -2.00 114.58 118.03 3ijr h GLU 148 Ca 0.03 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 3ijr h GLU 148 Cb 0.36 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 3ijr h GLU 148 CO -0.11 0.82 0.17 -0.22 -1.00 0.00 0.00 179.01 178.68 3ijr h LYS 149 N 0.72 0.34 -0.58 2.33 3.64 -1.11 0.11 116.57 122.02 3ijr h LYS 149 Ca 0.16 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.54 3ijr h LYS 149 Cb 0.38 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.09 3ijr h LYS 149 CO 0.01 0.23 0.37 1.15 -2.27 0.00 0.00 179.45 178.93 3ijr h THR 150 N 0.35 1.09 -0.27 1.00 2.02 -1.01 -2.48 112.91 113.62 3ijr h THR 150 Ca 0.10 -0.25 -0.15 0.00 0.77 0.00 0.00 66.41 66.87 3ijr h THR 150 Cb -0.04 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 66.67 3ijr h THR 150 CO -0.03 0.13 -0.46 -0.26 0.37 0.00 0.00 175.52 175.28 3ijr h PHE 151 N 0.73 0.84 -0.55 3.16 -1.00 -1.15 -1.51 116.94 117.46 3ijr h PHE 151 Ca 0.23 -0.27 0.01 0.00 2.81 0.00 0.00 57.97 60.75 3ijr h PHE 151 Cb -0.01 -0.17 -0.03 0.00 3.61 0.00 0.00 35.95 39.35 3ijr h PHE 151 CO -0.05 1.02 0.36 -0.09 -1.61 0.00 0.00 178.31 177.94 3ijr h ARG 152 N 0.55 0.71 0.05 1.51 2.43 -0.39 -0.93 114.38 118.32 3ijr h ARG 152 Ca 0.03 -0.04 -0.30 0.00 -0.81 0.00 0.00 59.98 58.86 3ijr h ARG 152 Cb 1.01 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 30.36 3ijr h ARG 152 CO 0.09 0.47 -1.67 0.97 -1.51 0.00 0.00 179.97 178.33 3ijr h ILE 153 N 0.73 0.94 0.02 1.20 6.09 -1.52 -2.39 117.51 122.58 3ijr h ILE 153 Ca 0.20 -2.71 -0.21 0.00 -1.37 0.00 0.00 64.86 60.78 3ijr h ILE 153 Cb -0.07 2.55 -0.01 0.00 0.47 0.00 0.00 36.82 39.76 3ijr h ILE 153 CO -0.05 0.69 -0.94 0.78 -3.07 0.00 0.00 178.15 175.56 3ijr h ASN 154 N 0.03 0.34 0.00 2.19 4.21 -1.21 -3.37 115.58 117.77 3ijr h ASN 154 Ca -0.28 -0.29 0.00 0.00 1.21 0.00 0.00 56.30 56.94 3ijr h ASN 154 Cb 2.00 -0.10 0.00 0.00 -1.12 0.00 0.00 38.32 39.09 3ijr h ASN 154 CO 0.10 1.10 -0.54 0.00 -1.29 0.00 0.00 177.43 176.81 3ijr n ILE 155 N -3.66 0.00 -0.17 2.81 0.13 -0.57 -4.64 119.36 113.26 3ijr n ILE 155 Ca -0.05 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.61 3ijr n ILE 155 Cb 0.84 -0.37 0.26 0.00 -0.84 0.00 0.00 39.64 39.54 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 0.86 -0.71 9.51 0.04 -1.22 -2.11 116.94 123.32 3ijr h PHE 156 Ca 0.00 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.72 3ijr h PHE 156 Cb 0.54 -0.28 -0.03 0.00 2.20 0.00 0.00 35.95 38.37 3ijr h PHE 156 CO 0.00 0.58 0.22 0.66 -0.60 0.00 0.00 178.31 179.16 3ijr h SER 157 N 0.91 1.02 -0.82 2.17 4.64 -1.59 -0.60 113.55 119.27 3ijr h SER 157 Ca 0.24 -0.19 0.03 0.00 -0.47 0.00 0.00 61.79 61.40 3ijr h SER 157 Cb -0.04 -0.27 -0.05 0.00 -0.31 0.00 0.00 62.40 61.74 3ijr h SER 157 CO -0.04 0.95 0.53 1.88 -0.87 0.00 0.00 176.83 179.27 3ijr h TYR 158 N 1.05 1.00 -0.11 4.77 -1.99 -1.65 0.40 116.97 120.44 3ijr h TYR 158 Ca 0.23 0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.97 3ijr h TYR 158 Cb 0.30 -0.33 -0.00 0.00 2.00 0.00 0.00 36.73 38.69 3ijr h TYR 158 CO 0.02 0.59 0.03 0.74 -0.00 0.00 0.00 178.16 179.54 3ijr h PHE 159 N 1.05 0.19 -0.19 4.88 0.04 -0.81 -2.29 116.94 119.81 3ijr h PHE 159 Ca 0.32 -0.02 -0.11 0.00 2.80 0.00 0.00 57.97 60.96 3ijr h PHE 159 Cb -0.03 -0.05 -0.00 0.00 2.20 0.00 0.00 35.95 38.06 3ijr h PHE 159 CO -0.02 0.35 -0.29 0.45 -0.60 0.00 0.00 178.31 178.19 3ijr h HIS 160 N -0.02 0.67 -0.46 -0.55 3.86 -0.85 0.01 115.15 117.81 3ijr h HIS 160 Ca 0.04 -0.22 -0.05 0.00 -1.16 0.00 0.00 60.37 58.97 3ijr h HIS 160 Cb 0.25 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 28.57 3ijr h HIS 160 CO 0.01 0.94 0.09 0.28 0.86 0.00 0.00 177.93 180.10 3ijr h VAL 161 N 0.20 1.24 -0.54 2.45 2.07 -1.04 -1.81 116.25 118.82 3ijr h VAL 161 Ca 0.02 -0.88 -0.07 0.00 0.82 0.00 0.00 66.70 66.59 3ijr h VAL 161 Cb 0.87 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 3ijr h VAL 161 CO 0.07 0.31 0.07 0.74 0.02 0.00 0.00 177.57 178.78 3ijr h THR 162 N 0.63 1.26 -0.40 2.57 2.02 -1.34 -0.45 112.91 117.19 3ijr h THR 162 Ca 0.14 -0.99 0.05 0.00 0.77 0.00 0.00 66.41 66.37 3ijr h THR 162 Cb 0.36 0.84 -0.04 0.00 -1.74 0.00 0.00 68.15 67.57 3ijr h THR 162 CO 0.01 0.36 0.15 0.50 0.37 0.00 0.00 175.52 176.90 3ijr h LYS 163 N 0.80 0.30 -0.41 6.66 3.64 -0.91 -1.72 116.57 124.94 3ijr h LYS 163 Ca 0.16 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.43 3ijr h LYS 163 Cb 0.44 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 3ijr h LYS 163 CO 0.01 0.20 -0.14 0.00 -2.27 0.00 0.00 179.45 177.26 3ijr h ALA 164 N 1.25 0.98 0.00 5.00 0.00 -1.00 -2.80 119.26 122.69 3ijr h ALA 164 Ca 0.18 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 3ijr h ALA 164 Cb 0.16 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 3ijr h ALA 164 CO -0.18 0.60 -0.10 0.00 0.00 0.00 0.00 179.25 179.57 3ijr h ALA 165 N 1.16 1.12 -0.14 0.00 0.00 -0.43 -3.25 119.26 117.72 3ijr h ALA 165 Ca 0.11 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3ijr h ALA 165 Cb 0.62 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3ijr h ALA 165 CO 0.04 0.13 0.09 -0.07 0.00 0.00 0.00 179.25 179.44 3ijr h LEU 166 N 0.00 0.16 0.00 0.00 3.38 -1.05 -0.60 115.31 117.20 3ijr h LEU 166 Ca -0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3ijr h LEU 166 Cb 0.44 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3ijr h LEU 166 CO 0.01 0.12 0.00 -1.54 0.09 0.00 0.00 178.44 177.12 3ijr n SER 167 N -4.52 0.00 -0.12 -0.43 3.41 -1.23 -2.98 113.62 107.75 3ijr n SER 167 Ca -0.01 -0.13 0.04 0.00 -0.26 0.00 0.00 58.87 58.51 3ijr n SER 167 Cb 0.08 -0.25 -0.01 0.00 -0.26 0.00 0.00 64.21 63.77 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 -1.25 0.00 -3.68 7.33 8.25 -0.26 -5.02 115.22 120.59 3ijr n HIS 168 Ca 0.12 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.23 3ijr n HIS 168 Cb 0.17 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.22 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 -1.70 4.35 0.00 2.41 1.43 -1.02 -4.48 118.68 119.67 3ijr s LEU 169 Ca 0.05 0.64 0.02 0.00 -1.03 0.00 0.00 54.13 53.82 3ijr s LEU 169 Cb 0.06 -2.87 -0.01 0.00 0.03 0.00 0.00 46.19 43.40 3ijr s LEU 169 CO 0.22 0.20 0.34 2.29 0.23 0.00 0.00 176.35 179.62 3ijr n LYS 170 N 0.90 0.48 -1.61 1.70 2.85 -1.26 -4.99 118.16 116.24 3ijr n LYS 170 Ca -0.09 -2.64 -0.55 0.00 -1.05 0.00 0.00 58.31 53.98 3ijr n LYS 170 Cb 0.52 2.34 -0.07 0.00 -0.65 0.00 0.00 35.03 37.18 3ijr n LYS 170 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 3ijr n GLN 171 N -0.52 0.86 -0.06 -1.58 6.02 -1.20 -1.34 117.38 119.55 3ijr n GLN 171 Ca 0.04 0.31 0.00 0.00 -0.01 0.00 0.00 57.00 57.34 3ijr n GLN 171 Cb 0.51 -1.92 0.00 0.00 1.02 0.00 0.00 30.24 29.85 3ijr n GLN 171 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ijr n GLY 172 N 2.73 0.50 3.94 1.08 0.00 0.21 -5.01 105.19 108.65 3ijr n GLY 172 Ca 0.21 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.60 5.16 -0.02 1.61 1.01 -0.45 -4.96 116.67 116.43 3ijr s ASP 173 Ca 0.00 0.37 -0.08 0.00 0.71 0.00 0.00 52.55 53.55 3ijr s ASP 173 Cb 0.00 -1.19 0.01 0.00 1.01 0.00 0.00 42.92 42.74 3ijr s ASP 173 CO 0.00 -1.31 0.17 -0.69 0.21 0.00 0.00 175.17 173.55 3ijr s VAL 174 N -3.02 0.06 -0.05 -1.27 1.01 -0.59 -2.35 120.40 114.20 3ijr s VAL 174 Ca 0.57 -0.48 0.04 0.00 0.00 0.00 0.00 61.98 62.12 3ijr s VAL 174 Cb -0.11 -0.40 -0.00 0.00 0.00 0.00 0.00 36.38 35.87 3ijr s VAL 174 CO 0.43 -0.26 -0.17 -0.63 0.00 0.00 0.00 175.10 174.46 3ijr s ILE 175 N -0.96 1.46 -0.08 2.22 1.01 -0.04 -1.37 121.20 123.45 3ijr s ILE 175 Ca -0.10 -0.73 0.03 0.00 0.00 0.00 0.00 60.65 59.84 3ijr s ILE 175 Cb -0.06 -1.26 0.01 0.00 0.01 0.00 0.00 42.46 41.16 3ijr s ILE 175 CO 0.01 0.42 -0.15 -0.63 0.00 0.00 0.00 174.94 174.59 3ijr s ILE 176 N 0.07 1.38 -0.12 2.92 1.01 -0.03 -1.87 121.20 124.55 3ijr s ILE 176 Ca -0.05 -0.62 -0.01 0.00 0.00 0.00 0.00 60.65 59.97 3ijr s ILE 176 Cb -0.12 -1.24 -0.02 0.00 0.01 0.00 0.00 42.46 41.09 3ijr s ILE 176 CO 0.03 0.41 -0.09 0.20 0.00 0.00 0.00 174.94 175.48 3ijr s ASN 177 N 0.60 4.36 -0.34 3.58 0.01 -0.42 -1.14 114.94 121.60 3ijr s ASN 177 Ca -0.15 -0.21 -0.23 0.00 -0.71 0.00 0.00 52.86 51.56 3ijr s ASN 177 Cb -0.16 -1.55 0.01 0.00 0.41 0.00 0.00 41.25 39.95 3ijr s ASN 177 CO 0.05 0.21 0.77 -0.89 -1.51 0.00 0.00 177.10 175.72 3ijr s THR 178 N 0.12 4.77 0.00 1.60 2.01 0.01 -1.61 115.64 122.54 3ijr s THR 178 Ca -0.04 0.95 0.00 0.00 0.31 0.00 0.00 61.69 62.91 3ijr s THR 178 Cb -0.14 -4.17 0.00 0.00 0.01 0.00 0.00 72.50 68.19 3ijr s THR 178 CO 0.04 -0.36 0.00 0.00 -0.69 0.00 0.00 174.62 173.61 3ijr n ALA 179 N 6.31 0.00 -3.61 7.40 0.00 0.36 -4.86 120.51 126.11 3ijr n ALA 179 Ca 0.03 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.42 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 -0.83 -0.14 0.54 0.00 0.15 -1.26 -4.44 113.70 107.72 3ijr s SER 180 Ca 0.00 0.08 0.28 0.00 0.70 0.00 0.00 55.95 57.01 3ijr s SER 180 Cb 0.00 0.13 1.45 0.00 -1.71 0.00 0.00 66.02 65.89 3ijr s SER 180 CO 0.00 -0.18 1.95 -0.29 1.20 0.00 0.00 173.24 175.92 3ijr h ILE 181 N 2.11 0.61 0.00 6.45 2.10 -1.48 -2.28 117.51 125.03 3ijr h ILE 181 Ca -0.10 0.00 -0.00 0.00 1.08 0.00 0.00 64.86 65.84 3ijr h ILE 181 Cb 1.17 0.66 -0.00 0.00 -1.09 0.00 0.00 36.82 37.56 3ijr h ILE 181 CO 0.24 0.00 -0.01 -0.37 -1.08 0.00 0.00 178.15 176.93 3ijr h VAL 182 N 0.00 0.04 0.00 2.19 -1.51 -1.86 -0.53 116.25 114.58 3ijr h VAL 182 Ca 0.30 -0.47 -0.06 0.00 -1.23 0.00 0.00 66.70 65.25 3ijr h VAL 182 Cb 1.27 1.45 -0.01 0.00 -2.13 0.00 0.00 31.29 31.87 3ijr h VAL 182 CO -0.00 0.01 -0.27 0.00 -1.23 0.00 0.00 177.57 176.07 3ijr h ALA 183 N 1.99 1.42 0.03 5.19 0.00 -1.64 0.28 119.26 126.53 3ijr h ALA 183 Ca -0.00 -0.25 -0.36 0.00 0.00 0.00 0.00 54.91 54.30 3ijr h ALA 183 Cb 0.45 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 3ijr h ALA 183 CO 0.00 0.34 -2.19 0.66 0.00 0.00 0.00 179.25 178.06 3ijr n TYR 184 N -4.03 0.50 0.22 0.00 4.01 -0.36 -4.60 117.16 112.89 3ijr n TYR 184 Ca -0.02 0.13 0.06 0.00 -0.16 0.00 0.00 57.90 57.91 3ijr n TYR 184 Cb 0.34 -1.08 -0.08 0.00 -0.31 0.00 0.00 39.34 38.21 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 -3.14 1.53 -0.26 -0.72 -0.58 -0.35 -5.06 120.64 112.06 3ijr n GLU 185 Ca -0.34 -0.06 0.03 0.00 -0.42 0.00 0.00 57.16 56.37 3ijr n GLU 185 Cb 1.06 -1.18 -0.02 0.00 -0.57 0.00 0.00 31.44 30.73 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 1.60 -2.77 2.82 0.62 0.00 0.08 -5.00 105.19 102.54 3ijr n GLY 186 Ca -0.00 -1.37 -0.17 0.00 0.00 0.00 0.00 46.02 44.47 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 -4.53 1.06 0.59 1.61 3.84 -1.26 -4.76 114.94 111.48 3ijr s ASN 187 Ca 0.00 0.03 0.34 0.00 0.21 0.00 0.00 52.86 53.44 3ijr s ASN 187 Cb 0.00 0.43 1.85 0.00 -0.55 0.00 0.00 41.25 42.98 3ijr s ASN 187 CO 0.00 -0.30 2.21 1.05 -2.79 0.00 0.00 177.10 177.28 3ijr h GLU 188 N 8.32 0.00 -0.49 0.43 4.11 -1.97 -1.94 114.58 123.03 3ijr h GLU 188 Ca -0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.27 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 0.23 0.04 0.00 0.25 0.07 0.00 0.00 179.01 179.60 3ijr n THR 189 N -3.49 0.89 -2.80 -1.06 -2.24 -1.26 -4.49 114.28 99.82 3ijr n THR 189 Ca -0.02 -0.95 -0.12 0.00 -2.27 0.00 0.00 64.05 60.69 3ijr n THR 189 Cb 0.15 0.59 0.01 0.00 -2.10 0.00 0.00 70.33 68.98 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 1.07 1.35 -0.07 3.22 4.77 -0.74 -1.46 117.00 125.14 3ijr n LEU 190 Ca 0.17 -4.10 -0.10 0.00 -0.03 0.00 0.00 56.01 51.95 3ijr n LEU 190 Cb 0.51 0.49 -0.03 0.00 -2.33 0.00 0.00 43.42 42.06 3ijr n LEU 190 CO 0.12 1.78 0.91 0.40 -1.33 0.00 0.00 177.39 179.27 3ijr h ILE 191 N 2.44 1.13 -0.15 -0.08 2.04 -1.78 0.10 117.51 121.22 3ijr h ILE 191 Ca -0.04 -0.36 -0.05 0.00 1.00 0.00 0.00 64.86 65.41 3ijr h ILE 191 Cb 1.11 0.92 -0.00 0.00 -0.74 0.00 0.00 36.82 38.11 3ijr h ILE 191 CO 0.51 0.13 -0.09 -2.24 0.00 0.00 0.00 178.15 176.45 3ijr h ASP 192 N 0.27 0.34 -0.43 1.72 2.03 -1.93 -2.16 116.42 116.27 3ijr h ASP 192 Ca 0.08 -0.43 0.08 0.00 -0.73 0.00 0.00 57.03 56.04 3ijr h ASP 192 Cb 0.09 -0.09 -0.07 0.00 -0.83 0.00 0.00 39.33 38.42 3ijr h ASP 192 CO -0.01 0.70 -0.04 0.22 -1.03 0.00 0.00 179.24 179.08 3ijr h TYR 193 N -0.02 -0.09 -0.91 4.15 3.20 -1.91 -1.60 116.97 119.79 3ijr h TYR 193 Ca 0.03 0.03 0.06 0.00 3.14 0.00 0.00 58.73 62.00 3ijr h TYR 193 Cb 0.58 0.11 -0.06 0.00 1.54 0.00 0.00 36.73 38.89 3ijr h TYR 193 CO 0.07 -0.12 0.58 0.66 -1.64 0.00 0.00 178.16 177.70 3ijr h SER 194 N 0.07 0.92 -0.60 -2.11 4.64 -0.71 -0.52 113.55 115.24 3ijr h SER 194 Ca 0.21 0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 61.50 3ijr h SER 194 Cb 0.31 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 62.19 3ijr h SER 194 CO -0.38 0.59 0.23 0.00 -0.87 0.00 0.00 176.83 176.40 3ijr h ALA 195 N 1.42 1.22 -0.39 5.18 0.00 -0.69 -0.19 119.26 125.80 3ijr h ALA 195 Ca 0.39 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 3ijr h ALA 195 Cb 0.16 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3ijr h ALA 195 CO -0.17 0.56 -0.06 1.79 0.00 0.00 0.00 179.25 181.37 3ijr h THR 196 N 0.92 1.23 -0.21 0.00 1.35 -0.21 -1.23 112.91 114.76 3ijr h THR 196 Ca 0.21 -1.00 -0.17 0.00 -0.55 0.00 0.00 66.41 64.90 3ijr h THR 196 Cb 0.21 1.01 -0.00 0.00 -1.73 0.00 0.00 68.15 67.63 3ijr h THR 196 CO -0.02 0.34 -0.57 0.11 -0.25 0.00 0.00 175.52 175.14 3ijr h LYS 197 N 0.60 0.64 -0.72 4.72 1.79 -0.05 -1.44 116.57 122.11 3ijr h LYS 197 Ca 0.12 -0.42 -0.04 0.00 -2.18 0.00 0.00 60.65 58.13 3ijr h LYS 197 Cb 0.47 0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 31.14 3ijr h LYS 197 CO 0.02 1.03 0.29 0.78 -1.08 0.00 0.00 179.45 180.50 3ijr h GLY 198 N 0.96 1.14 0.98 3.86 0.00 -0.94 -1.77 103.07 107.31 3ijr h GLY 198 Ca 0.01 -0.60 0.01 0.00 0.00 0.00 0.00 47.33 46.75 3ijr h GLY 198 CO 0.11 0.57 0.52 0.00 0.00 0.00 0.00 176.54 177.74 3ijr h ALA 199 N 1.27 1.01 -0.69 3.60 0.00 -0.85 -1.89 119.26 121.72 3ijr h ALA 199 Ca 0.24 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 3ijr h ALA 199 Cb 0.19 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3ijr h ALA 199 CO -0.02 0.39 0.27 0.82 0.00 0.00 0.00 179.25 180.70 3ijr h ILE 200 N 1.05 1.25 -0.36 0.00 2.04 -0.77 0.21 117.51 120.93 3ijr h ILE 200 Ca 0.29 -0.78 -0.01 0.00 1.00 0.00 0.00 64.86 65.37 3ijr h ILE 200 Cb -0.10 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 36.44 3ijr h ILE 200 CO -0.07 0.31 0.19 0.58 0.00 0.00 0.00 178.15 179.16 3ijr h VAL 201 N 0.98 1.14 -0.15 1.67 2.07 -1.03 0.11 116.25 121.04 3ijr h VAL 201 Ca 0.23 -0.38 -0.15 0.00 0.82 0.00 0.00 66.70 67.22 3ijr h VAL 201 Cb 0.22 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 3ijr h VAL 201 CO -0.02 0.15 -0.53 0.00 0.02 0.00 0.00 177.57 177.19 3ijr h ALA 202 N 1.06 0.81 -0.29 1.67 0.00 -1.13 -2.25 119.26 119.12 3ijr h ALA 202 Ca 0.13 -0.50 0.04 0.00 0.00 0.00 0.00 54.91 54.57 3ijr h ALA 202 Cb 0.06 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3ijr h ALA 202 CO -0.02 0.68 0.08 0.35 0.00 0.00 0.00 179.25 180.34 3ijr h PHE 203 N 0.33 0.14 -0.14 0.00 3.57 -0.74 -0.58 116.94 119.52 3ijr h PHE 203 Ca 0.01 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.54 3ijr h PHE 203 Cb 1.04 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.74 3ijr h PHE 203 CO 0.03 0.05 0.03 1.15 -2.23 0.00 0.00 178.31 177.34 3ijr h THR 204 N 0.20 0.94 0.30 4.41 2.02 -0.77 0.11 112.91 120.12 3ijr h THR 204 Ca 0.13 -0.03 -0.01 0.00 0.77 0.00 0.00 66.41 67.27 3ijr h THR 204 Cb 0.12 0.84 0.00 0.00 -1.74 0.00 0.00 68.15 67.37 3ijr h THR 204 CO -0.16 0.02 -0.16 0.03 0.37 0.00 0.00 175.52 175.62 3ijr h ARG 205 N 0.09 -0.41 -0.20 6.66 3.08 -1.22 -0.82 114.38 121.55 3ijr h ARG 205 Ca 0.06 0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 3ijr h ARG 205 Cb 0.06 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 3ijr h ARG 205 CO -0.09 -0.28 0.08 0.77 -1.07 0.00 0.00 179.97 179.38 3ijr h SER 206 N -0.43 0.28 -0.37 7.04 0.02 -0.98 -2.94 113.55 116.17 3ijr h SER 206 Ca -0.04 -0.17 -0.04 0.00 -0.84 0.00 0.00 61.79 60.70 3ijr h SER 206 Cb 0.34 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 3ijr h SER 206 CO 0.06 0.37 0.11 0.25 -1.14 0.00 0.00 176.83 176.48 3ijr h LEU 207 N 0.16 0.60 -0.90 5.07 5.85 -0.78 -1.34 115.31 123.98 3ijr h LEU 207 Ca 0.07 -0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.73 3ijr h LEU 207 Cb 0.19 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.01 3ijr h LEU 207 CO -0.00 0.60 0.58 0.77 -0.34 0.00 0.00 178.44 180.05 3ijr h SER 208 N 0.64 0.95 0.28 1.25 4.64 -0.99 -0.78 113.55 119.54 3ijr h SER 208 Ca 0.15 -0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.29 3ijr h SER 208 Cb 0.24 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.11 3ijr h SER 208 CO -0.00 0.65 -0.70 1.56 -0.87 0.00 0.00 176.83 177.46 3ijr h GLN 209 N 1.11 0.37 -0.42 4.77 1.08 -1.23 -1.64 115.11 119.15 3ijr h GLN 209 Ca 0.36 -0.29 -0.07 0.00 -1.45 0.00 0.00 58.65 57.20 3ijr h GLN 209 Cb 0.04 0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.51 3ijr h GLN 209 CO -0.13 0.93 -0.04 1.03 -0.95 0.00 0.00 178.83 179.67 3ijr h SER 210 N 0.26 0.67 -0.02 1.46 0.87 -0.70 -3.29 113.55 112.79 3ijr h SER 210 Ca -0.02 -0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.37 3ijr h SER 210 Cb 1.27 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 63.05 3ijr h SER 210 CO 0.12 0.76 -0.08 0.18 -0.53 0.00 0.00 176.83 177.29 3ijr n LEU 211 N -4.21 2.31 -0.23 2.23 4.77 -0.35 -4.59 117.00 116.92 3ijr n LEU 211 Ca 0.02 -0.95 -0.01 0.00 -0.03 0.00 0.00 56.01 55.04 3ijr n LEU 211 Cb 0.31 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.50 3ijr n LEU 211 CO 0.41 0.41 1.09 1.62 -1.33 0.00 0.00 177.39 179.59 3ijr h VAL 212 N 3.15 0.96 0.00 4.08 3.04 -1.37 -0.32 116.25 125.79 3ijr h VAL 212 Ca 0.00 -0.23 0.00 0.00 -1.01 0.00 0.00 66.70 65.46 3ijr h VAL 212 Cb 0.71 0.22 0.00 0.00 -2.01 0.00 0.00 31.29 30.21 3ijr h VAL 212 CO 0.00 0.12 0.00 1.56 -1.01 0.00 0.00 177.57 178.24 3ijr h GLN 213 N 0.68 0.00 -0.00 4.17 4.20 -1.82 -1.49 115.11 120.85 3ijr h GLN 213 Ca 0.30 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.01 3ijr h GLN 213 Cb 0.19 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.97 3ijr h GLN 213 CO -0.19 0.00 -0.04 1.63 -0.67 0.00 0.00 178.83 179.57 3ijr n LYS 214 N -2.80 0.78 -1.45 1.46 5.02 -0.16 -4.91 118.16 116.10 3ijr n LYS 214 Ca 0.01 -0.15 -0.04 0.00 -2.02 0.00 0.00 58.31 56.11 3ijr n LYS 214 Cb 0.29 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.79 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 1.19 0.52 3.35 0.72 0.00 -0.56 -3.25 105.19 107.16 3ijr n GLY 215 Ca 0.18 -0.83 -0.35 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.17 3.54 0.13 -0.61 1.01 -1.04 -0.61 121.20 121.46 3ijr s ILE 216 Ca 0.00 -0.44 -0.11 0.00 0.00 0.00 0.00 60.65 60.10 3ijr s ILE 216 Cb 0.00 -2.61 -0.06 0.00 0.01 0.00 0.00 42.46 39.80 3ijr s ILE 216 CO 0.00 0.42 0.48 -0.13 0.00 0.00 0.00 174.94 175.72 3ijr s ARG 217 N 1.36 3.85 -0.09 2.79 0.52 -0.99 -4.04 118.95 122.35 3ijr s ARG 217 Ca 0.04 0.31 -0.01 0.00 -0.52 0.00 0.00 55.73 55.55 3ijr s ARG 217 Cb -0.14 -2.91 0.03 0.00 0.52 0.00 0.00 34.95 32.45 3ijr s ARG 217 CO -0.01 0.49 0.00 0.08 0.02 0.00 0.00 175.30 175.87 3ijr s VAL 218 N -1.50 0.45 0.22 3.52 1.01 -1.26 -0.86 120.40 121.98 3ijr s VAL 218 Ca 0.37 -0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.35 3ijr s VAL 218 Cb -0.14 -0.64 -0.04 0.00 0.00 0.00 0.00 36.38 35.56 3ijr s VAL 218 CO 0.19 0.20 0.15 0.20 0.00 0.00 0.00 175.10 175.85 3ijr s ASN 219 N 1.94 0.39 0.18 3.32 0.01 -0.78 -0.22 114.94 119.78 3ijr s ASN 219 Ca 0.04 -1.45 0.02 0.00 -0.71 0.00 0.00 52.86 50.77 3ijr s ASN 219 Cb -0.13 0.41 -0.05 0.00 0.41 0.00 0.00 41.25 41.89 3ijr s ASN 219 CO -0.06 -0.88 -0.01 -0.83 -1.51 0.00 0.00 177.10 173.82 3ijr s GLY 220 N -3.19 1.27 -0.08 0.66 0.00 0.75 -1.30 107.32 105.43 3ijr s GLY 220 Ca 0.39 -1.62 0.04 0.00 0.00 0.00 0.00 44.72 43.53 3ijr s GLY 220 CO 0.15 -1.56 -0.19 0.14 0.00 0.00 0.00 173.10 171.63 3ijr s VAL 221 N -3.59 1.68 -0.55 1.40 1.01 -0.64 -1.04 120.40 118.68 3ijr s VAL 221 Ca 0.24 -0.81 -0.02 0.00 0.00 0.00 0.00 61.98 61.40 3ijr s VAL 221 Cb 0.06 -1.47 0.14 0.00 0.00 0.00 0.00 36.38 35.11 3ijr s VAL 221 CO 0.05 0.48 0.34 0.00 0.00 0.00 0.00 175.10 175.96 3ijr s ALA 222 N 0.37 3.41 0.60 5.51 0.00 -0.11 -0.48 121.76 131.06 3ijr s ALA 222 Ca -0.15 -3.06 -0.15 0.00 0.00 0.00 0.00 51.96 48.60 3ijr s ALA 222 Cb -0.16 -2.50 -0.03 0.00 0.00 0.00 0.00 23.12 20.43 3ijr s ALA 222 CO 0.06 -2.00 1.05 -2.14 0.00 0.00 0.00 175.76 172.73 3ijr s PRO 223 N 0.23 3.32 0.00 0.00 0.02 -1.26 -2.16 135.00 135.15 3ijr s PRO 223 Ca 0.15 1.15 0.00 0.00 0.02 0.00 0.00 61.00 62.32 3ijr s PRO 223 Cb -0.22 -2.04 0.00 0.00 0.02 0.00 0.00 34.50 32.27 3ijr s PRO 223 CO -0.03 -0.80 0.00 0.41 -0.33 0.00 0.00 177.00 176.24 3ijr n GLY 224 N -1.17 1.65 3.60 0.52 0.00 -0.42 -1.53 105.19 107.84 3ijr n GLY 224 Ca 0.08 -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 3.10 3.60 -0.08 1.61 0.04 -1.26 -4.92 135.00 137.09 3ijr s PRO 225 Ca 0.00 0.80 0.02 0.00 0.04 0.00 0.00 61.00 61.86 3ijr s PRO 225 Cb 0.00 -4.00 -0.02 0.00 0.04 0.00 0.00 34.50 30.52 3ijr s PRO 225 CO 0.00 -1.54 -0.12 0.42 0.04 0.00 0.00 177.00 175.79 3ijr s ILE 226 N 5.21 3.20 -0.63 0.56 -1.09 -1.26 0.21 121.20 127.39 3ijr s ILE 226 Ca 0.57 -0.65 -0.27 0.00 -2.23 0.00 0.00 60.65 58.06 3ijr s ILE 226 Cb -0.12 -2.29 0.01 0.00 -1.58 0.00 0.00 42.46 38.49 3ijr s ILE 226 CO 0.32 0.57 1.43 0.86 -1.23 0.00 0.00 174.94 176.90 3ijr s TRP 227 N -0.43 2.20 0.22 3.97 -0.00 -0.28 -4.85 118.94 119.75 3ijr s TRP 227 Ca 0.05 0.36 -0.06 0.00 -0.00 0.00 0.00 56.10 56.45 3ijr s TRP 227 Cb -0.12 -4.42 -0.02 0.00 -0.00 0.00 0.00 33.47 28.90 3ijr s TRP 227 CO 0.02 -2.05 0.27 0.95 -0.00 0.00 0.00 176.95 176.14 3ijr s THR 228 N 6.39 0.00 0.24 5.86 -4.23 -1.26 -4.42 115.64 118.23 3ijr s THR 228 Ca 0.49 -1.74 0.34 0.00 -1.18 0.00 0.00 61.69 59.59 3ijr s THR 228 Cb -0.10 -2.35 0.34 0.00 1.34 0.00 0.00 72.50 71.73 3ijr s THR 228 CO 0.21 -0.02 2.03 -0.65 -0.54 0.00 0.00 174.62 175.65 3ijr h PRO 229 N 2.48 0.00 0.00 3.99 0.11 -1.90 -1.79 132.00 134.90 3ijr h PRO 229 Ca -0.32 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.76 3ijr h PRO 229 Cb 1.25 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 3ijr h PRO 229 CO 0.46 0.00 -0.13 1.25 -0.21 0.00 0.00 178.00 179.37 3ijr h LEU 230 N 0.00 0.00 0.09 2.35 5.85 -1.93 -3.09 115.31 118.57 3ijr h LEU 230 Ca 0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 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 0.13 -0.04 0.40 -0.34 0.00 0.00 178.44 178.58 3ijr h ILE 231 N 0.00 0.48 0.00 4.05 1.08 -1.65 -2.82 117.51 118.66 3ijr h ILE 231 Ca -0.00 -1.22 0.00 0.00 -0.39 0.00 0.00 64.86 63.25 3ijr h ILE 231 Cb 0.29 0.88 0.00 0.00 -3.07 0.00 0.00 36.82 34.91 3ijr h ILE 231 CO 0.02 0.15 0.00 -0.81 -0.69 0.00 0.00 178.15 176.82 3ijr n PRO 232 N -4.82 0.16 0.02 2.37 -0.04 -1.25 -1.26 135.00 130.18 3ijr n PRO 232 Ca -0.04 0.29 0.12 0.00 -0.04 0.00 0.00 63.50 63.83 3ijr n PRO 232 Cb 0.17 -1.76 0.20 0.00 -0.04 0.00 0.00 33.50 32.07 3ijr n PRO 232 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3ijr n SER 233 N -2.05 0.57 -0.04 3.54 3.41 -1.17 -0.80 113.62 117.07 3ijr n SER 233 Ca 0.04 -0.13 -0.06 0.00 -0.26 0.00 0.00 58.87 58.46 3ijr n SER 233 Cb 0.29 0.28 -0.04 0.00 -0.26 0.00 0.00 64.21 64.48 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 -1.74 3.30 -4.92 4.04 3.41 -1.05 -4.52 113.62 112.14 3ijr n SER 234 Ca 0.04 -0.05 -0.28 0.00 -0.26 0.00 0.00 58.87 58.33 3ijr n SER 234 Cb 0.38 -0.10 -0.03 0.00 -0.26 0.00 0.00 64.21 64.20 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 3.48 0.89 7.33 0.08 -0.39 -4.56 117.98 122.63 3ijr s PHE 235 Ca -0.12 0.50 -0.12 0.00 0.12 0.00 0.00 56.93 57.31 3ijr s PHE 235 Cb 0.03 -1.98 0.12 0.00 -0.57 0.00 0.00 43.02 40.62 3ijr s PHE 235 CO 0.21 0.27 1.14 0.16 -0.10 0.00 0.00 175.22 176.90 3ijr s ASP 236 N -3.17 3.72 0.18 1.36 -4.77 -1.26 -4.73 116.67 108.00 3ijr s ASP 236 Ca 0.41 0.96 -0.13 0.00 -3.30 0.00 0.00 52.55 50.50 3ijr s ASP 236 Cb -0.11 -1.54 0.15 0.00 -1.09 0.00 0.00 42.92 40.33 3ijr s ASP 236 CO 0.29 -2.42 1.79 -0.33 0.70 0.00 0.00 175.17 175.21 3ijr h GLU 237 N -1.40 0.52 -0.04 2.11 5.08 -1.94 -0.01 114.58 118.89 3ijr h GLU 237 Ca -0.50 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 57.86 3ijr h GLU 237 Cb 1.33 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 30.42 3ijr h GLU 237 CO 0.62 0.34 -0.17 0.87 -1.00 0.00 0.00 179.01 179.68 3ijr h LYS 238 N 0.53 -0.24 -0.56 2.33 6.56 -1.94 -0.92 116.57 122.34 3ijr h LYS 238 Ca 0.23 0.02 -0.09 0.00 -1.06 0.00 0.00 60.65 59.75 3ijr h LYS 238 Cb 0.13 0.06 -0.02 0.00 -0.57 0.00 0.00 32.23 31.83 3ijr h LYS 238 CO -0.16 -0.16 -0.02 -0.22 -2.06 0.00 0.00 179.45 176.84 3ijr h LYS 239 N -0.25 0.97 -0.98 3.15 3.64 -1.89 -2.45 116.57 118.76 3ijr h LYS 239 Ca 0.07 -0.30 0.05 0.00 -1.27 0.00 0.00 60.65 59.20 3ijr h LYS 239 Cb 0.34 -0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 32.01 3ijr h LYS 239 CO -0.19 0.96 0.64 0.28 -2.27 0.00 0.00 179.45 178.87 3ijr h VAL 240 N 0.89 1.13 0.00 2.00 2.07 -0.59 -1.97 116.25 119.78 3ijr h VAL 240 Ca 0.16 -0.41 -0.05 0.00 0.82 0.00 0.00 66.70 67.22 3ijr h VAL 240 Cb 0.54 -0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 3ijr h VAL 240 CO 0.03 0.22 -0.26 0.77 0.02 0.00 0.00 177.57 178.35 3ijr h SER 241 N 1.19 0.00 -0.70 0.57 4.64 -0.69 -2.55 113.55 116.01 3ijr h SER 241 Ca 0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 3ijr h SER 241 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 3ijr h SER 241 CO -0.14 0.26 0.00 0.00 -0.87 0.00 0.00 176.83 176.08 3ijr n GLN 242 N -4.19 3.00 -1.69 4.77 6.02 -0.78 -1.22 117.38 123.28 3ijr n GLN 242 Ca -0.02 -2.71 -0.44 0.00 -0.01 0.00 0.00 57.00 53.82 3ijr n GLN 242 Cb 0.31 -1.64 -0.04 0.00 1.02 0.00 0.00 30.24 29.89 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 1.48 2.50 -0.73 1.08 7.35 -0.94 -2.06 117.46 126.13 3ijr n PHE 243 Ca 0.24 0.18 0.00 0.00 -0.76 0.00 0.00 57.45 57.11 3ijr n PHE 243 Cb 0.69 -2.60 0.00 0.00 0.35 0.00 0.00 39.48 37.92 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 3.55 1.23 0.10 7.13 0.00 -1.26 -4.22 105.19 111.71 3ijr n GLY 244 Ca 0.16 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.30 3ijr n GLY 244 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ijr n SER 245 N 0.00 0.62 0.14 1.61 3.41 -0.87 -1.71 113.62 116.81 3ijr n SER 245 Ca 0.00 0.60 0.07 0.00 -0.26 0.00 0.00 58.87 59.28 3ijr n SER 245 Cb 0.00 -0.75 0.05 0.00 -0.26 0.00 0.00 64.21 63.24 3ijr n SER 245 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3ijr h ASN 246 N 0.00 0.00 -3.90 4.04 -1.07 -1.90 -3.43 115.58 109.31 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 0.51 0.00 0.05 0.00 -2.07 0.00 0.00 38.32 36.81 3ijr h ASN 246 CO 0.00 0.27 0.24 0.68 0.07 0.00 0.00 177.43 178.69 3ijr s VAL 247 N -3.10 4.58 0.00 6.14 -7.23 -1.22 -4.93 120.40 114.64 3ijr s VAL 247 Ca 0.03 0.41 0.00 0.00 -1.81 0.00 0.00 61.98 60.61 3ijr s VAL 247 Cb 0.07 -3.79 0.00 0.00 0.56 0.00 0.00 36.38 33.23 3ijr s VAL 247 CO 0.74 -0.88 0.00 -2.65 -0.31 0.00 0.00 175.10 172.00 3ijr n PRO 248 N -2.51 0.00 0.00 4.82 -0.02 -1.14 -4.56 135.00 131.59 3ijr n PRO 248 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 3ijr n PRO 248 Cb 0.55 -1.24 0.00 0.00 -0.02 0.00 0.00 33.50 32.79 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 1.58 0.00 -3.52 -0.52 6.02 -1.26 -5.04 117.38 114.64 3ijr n GLN 250 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.85 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 0.92 0.66 -1.09 1.70 -0.70 -4.73 118.95 115.72 3ijr s ARG 251 Ca 0.00 0.07 -0.11 0.00 -0.47 0.00 0.00 55.73 55.22 3ijr s ARG 251 Cb 0.00 0.43 -0.01 0.00 -0.57 0.00 0.00 34.95 34.80 3ijr s ARG 251 CO 0.00 -0.32 1.05 -1.25 -1.08 0.00 0.00 175.30 173.70 3ijr s PRO 252 N -1.71 3.19 0.69 3.89 0.04 -1.25 -4.78 135.00 135.06 3ijr s PRO 252 Ca -0.05 0.89 -0.08 0.00 0.04 0.00 0.00 61.00 61.80 3ijr s PRO 252 Cb -0.00 -2.02 0.04 0.00 0.04 0.00 0.00 34.50 32.55 3ijr s PRO 252 CO 0.02 -0.90 1.02 0.20 0.04 0.00 0.00 177.00 177.39 3ijr s GLY 253 N -3.89 1.64 0.12 0.56 0.00 0.13 -4.88 107.32 101.01 3ijr s GLY 253 Ca 0.57 -0.70 0.06 0.00 0.00 0.00 0.00 44.72 44.65 3ijr s GLY 253 CO 0.54 -0.32 -0.01 1.20 0.00 0.00 0.00 173.10 174.51 3ijr s GLN 254 N -5.25 2.47 0.28 2.90 -1.52 -1.26 -1.13 119.66 116.15 3ijr s GLN 254 Ca 0.58 -0.94 0.02 0.00 -1.95 0.00 0.00 55.36 53.06 3ijr s GLN 254 Cb -0.11 -2.46 0.59 0.00 -0.22 0.00 0.00 33.01 30.81 3ijr s GLN 254 CO 0.47 0.51 1.79 -1.35 -0.25 0.00 0.00 175.29 176.46 3ijr h PRO 255 N 3.18 0.76 -0.45 2.91 0.11 -1.74 -1.09 132.00 135.67 3ijr h PRO 255 Ca -0.48 -0.05 0.13 0.00 0.11 0.00 0.00 66.00 65.72 3ijr h PRO 255 Cb 1.18 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.10 3ijr h PRO 255 CO 0.58 0.50 0.37 0.10 -0.21 0.00 0.00 178.00 179.35 3ijr h TYR 256 N 0.78 0.00 0.00 0.65 -0.00 -1.54 0.91 116.97 117.78 3ijr h TYR 256 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.23 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 -0.04 0.00 0.00 0.39 -0.00 0.00 0.00 178.16 178.51 3ijr n GLU 257 N -4.13 0.16 -0.04 0.10 1.02 -0.41 -2.97 120.64 114.37 3ijr n GLU 257 Ca 0.08 0.44 -0.07 0.00 -0.02 0.00 0.00 57.16 57.59 3ijr n GLU 257 Cb 0.57 -1.83 -0.14 0.00 -0.02 0.00 0.00 31.44 30.02 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 -2.13 0.61 -0.19 -4.62 7.99 0.31 -4.60 117.00 114.37 3ijr n LEU 258 Ca 0.02 0.29 0.00 0.00 -0.01 0.00 0.00 56.01 56.30 3ijr n LEU 258 Cb 0.18 0.24 0.10 0.00 -0.11 0.00 0.00 43.42 43.84 3ijr n LEU 258 CO 0.17 0.38 0.94 0.00 -1.51 0.00 0.00 177.39 177.36 3ijr h ALA 259 N 1.08 0.72 -0.30 -1.18 0.00 -1.56 -2.35 119.26 115.67 3ijr h ALA 259 Ca -0.33 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 3ijr h ALA 259 Cb 2.00 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.90 3ijr h ALA 259 CO 0.06 -0.27 0.12 -1.35 0.00 0.00 0.00 179.25 177.81 3ijr h PRO 260 N 0.31 0.41 -0.50 0.00 0.11 -1.81 -0.18 132.00 130.33 3ijr h PRO 260 Ca 0.31 -0.05 0.05 0.00 0.11 0.00 0.00 66.00 66.41 3ijr h PRO 260 Cb 0.43 -0.08 -0.04 0.00 0.11 0.00 0.00 31.00 31.41 3ijr h PRO 260 CO -0.36 0.35 0.25 0.00 -0.21 0.00 0.00 178.00 178.03 3ijr h ALA 261 N 1.72 0.64 -0.58 -0.75 0.00 -1.71 0.74 119.26 119.32 3ijr h ALA 261 Ca 0.10 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 3ijr h ALA 261 Cb 0.09 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3ijr h ALA 261 CO -0.01 -0.10 -0.03 1.88 0.00 0.00 0.00 179.25 180.99 3ijr h TYR 262 N 0.49 1.13 -0.44 0.00 0.05 -1.15 -1.29 116.97 115.76 3ijr h TYR 262 Ca 0.22 -0.20 -0.02 0.00 0.05 0.00 0.00 58.73 58.78 3ijr h TYR 262 Cb 0.14 -0.29 -0.02 0.00 1.01 0.00 0.00 36.73 37.57 3ijr h TYR 262 CO -0.11 1.01 0.20 0.28 -1.05 0.00 0.00 178.16 178.49 3ijr h VAL 263 N 0.94 1.19 -0.18 -2.88 2.07 -0.73 0.20 116.25 116.86 3ijr h VAL 263 Ca 0.16 -0.57 0.04 0.00 0.82 0.00 0.00 66.70 67.15 3ijr h VAL 263 Cb 0.58 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 31.06 3ijr h VAL 263 CO 0.03 0.22 -0.08 0.22 0.02 0.00 0.00 177.57 177.98 3ijr h TYR 264 N 0.57 -0.20 0.00 1.57 3.20 -0.67 -1.70 116.97 119.74 3ijr h TYR 264 Ca 0.15 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.96 3ijr h TYR 264 Cb 0.16 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.53 3ijr h TYR 264 CO -0.00 -0.13 -0.39 -0.07 -1.64 0.00 0.00 178.16 175.93 3ijr h LEU 265 N -0.07 0.00 0.00 2.82 3.38 -0.92 -3.22 115.31 117.30 3ijr h LEU 265 Ca 0.10 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.95 3ijr h LEU 265 Cb 0.21 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 3ijr h LEU 265 CO -0.22 0.39 -0.77 0.00 0.09 0.00 0.00 178.44 177.93 3ijr h ALA 266 N 1.61 0.67 -0.98 1.53 0.00 -0.32 -3.46 119.26 118.32 3ijr h ALA 266 Ca -0.00 -0.53 -0.47 0.00 0.00 0.00 0.00 54.91 53.91 3ijr h ALA 266 Cb 0.82 0.03 0.03 0.00 0.00 0.00 0.00 17.79 18.66 3ijr h ALA 266 CO 0.05 0.66 -0.14 -1.54 0.00 0.00 0.00 179.25 178.28 3ijr s SER 267 N -6.20 5.24 0.00 0.00 1.04 -0.67 -4.88 113.70 108.23 3ijr s SER 267 Ca 0.02 -0.72 0.15 0.00 0.48 0.00 0.00 55.95 55.87 3ijr s SER 267 Cb 0.08 0.03 0.79 0.00 0.10 0.00 0.00 66.02 67.02 3ijr s SER 267 CO 0.76 -1.19 1.35 -1.54 0.98 0.00 0.00 173.24 173.61 3ijr n SER 268 N -2.15 0.00 0.29 7.02 3.41 -1.26 -2.66 113.62 118.27 3ijr n SER 268 Ca 0.14 -0.15 0.15 0.00 -0.26 0.00 0.00 58.87 58.74 3ijr n SER 268 Cb 0.61 -0.16 0.87 0.00 -0.26 0.00 0.00 64.21 65.27 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 -0.56 4.04 3.32 -1.90 -2.63 116.42 118.69 3ijr h ASP 269 Ca 0.00 0.00 -0.38 0.00 0.02 0.00 0.00 57.03 56.67 3ijr h ASP 269 Cb 0.08 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 39.38 3ijr h ASP 269 CO 0.00 0.03 -0.29 -1.54 -1.72 0.00 0.00 179.24 175.72 3ijr n SER 270 N -3.78 4.10 0.20 6.45 3.41 -1.09 -4.81 113.62 118.10 3ijr n SER 270 Ca -0.03 -3.79 0.18 0.00 -0.26 0.00 0.00 58.87 54.97 3ijr n SER 270 Cb 0.12 -0.56 0.82 0.00 -0.26 0.00 0.00 64.21 64.34 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 1.61 0.00 -0.57 4.04 4.64 -1.67 0.32 113.55 121.93 3ijr h SER 271 Ca 0.31 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.54 3ijr h SER 271 Cb 1.42 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.45 3ijr h SER 271 CO 0.67 0.00 0.10 0.00 -0.87 0.00 0.00 176.83 176.73 3ijr n TYR 272 N -3.76 1.98 -4.11 4.77 9.36 -1.26 -4.91 117.16 119.22 3ijr n TYR 272 Ca 0.02 -0.99 -0.31 0.00 3.32 0.00 0.00 57.90 59.95 3ijr n TYR 272 Cb 0.36 -0.55 -0.16 0.00 -0.63 0.00 0.00 39.34 38.36 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 -2.90 1.76 -0.03 2.97 1.01 0.10 -5.10 120.40 118.21 3ijr s VAL 273 Ca 0.52 -0.75 -0.19 0.00 0.00 0.00 0.00 61.98 61.56 3ijr s VAL 273 Cb 0.41 -1.62 0.04 0.00 0.00 0.00 0.00 36.38 35.21 3ijr s VAL 273 CO 0.13 0.49 0.41 0.28 0.00 0.00 0.00 175.10 176.41 3ijr s THR 274 N 1.36 0.04 -0.01 3.92 -1.32 -1.26 -4.73 115.64 113.64 3ijr s THR 274 Ca 0.04 -0.33 0.00 0.00 -1.21 0.00 0.00 61.69 60.18 3ijr s THR 274 Cb -0.13 -0.71 0.00 0.00 -1.51 0.00 0.00 72.50 70.14 3ijr s THR 274 CO -0.10 -0.18 0.00 0.61 -2.21 0.00 0.00 174.62 172.73 3ijr n GLY 275 N 1.23 0.48 0.00 6.08 0.00 0.69 -4.97 105.19 108.70 3ijr n GLY 275 Ca -0.21 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.92 3.65 -3.57 1.61 1.13 -1.26 -4.63 117.38 111.39 3ijr n GLN 276 Ca -0.00 0.00 -0.07 0.00 -1.94 0.00 0.00 57.00 54.98 3ijr n GLN 276 Cb 0.01 0.00 -0.08 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 3.36 -0.68 -0.40 5.09 -1.09 -0.21 -0.18 121.20 127.09 3ijr s ILE 278 Ca 0.00 0.10 -0.19 0.00 -2.23 0.00 0.00 60.65 58.33 3ijr s ILE 278 Cb 0.00 -0.73 0.01 0.00 -1.58 0.00 0.00 42.46 40.16 3ijr s ILE 278 CO 0.00 0.02 0.57 -1.00 -1.23 0.00 0.00 174.94 173.31 3ijr s HIS 279 N 2.63 3.13 -0.56 3.97 3.76 -1.26 -0.93 115.29 126.02 3ijr s HIS 279 Ca 0.02 0.02 0.04 0.00 -0.15 0.00 0.00 55.06 54.99 3ijr s HIS 279 Cb -0.13 -3.13 0.14 0.00 1.11 0.00 0.00 32.58 30.58 3ijr s HIS 279 CO -0.14 -0.71 0.33 0.08 -0.85 0.00 0.00 174.74 173.45 3ijr s VAL 280 N 2.58 2.45 -0.00 -0.90 1.01 -0.92 -4.91 120.40 119.71 3ijr s VAL 280 Ca 0.20 -3.51 0.00 0.00 0.00 0.00 0.00 61.98 58.68 3ijr s VAL 280 Cb -0.15 -2.67 0.01 0.00 0.00 0.00 0.00 36.38 33.57 3ijr s VAL 280 CO 0.16 -0.89 0.74 -0.46 0.00 0.00 0.00 175.10 174.65 3ijr n ASN 281 N 2.79 0.09 0.00 3.32 0.23 -1.26 -1.31 115.26 119.13 3ijr n ASN 281 Ca 0.11 -1.50 0.00 0.00 -0.53 0.00 0.00 54.58 52.66 3ijr n ASN 281 Cb 0.34 -0.10 0.00 0.00 -2.08 0.00 0.00 39.78 37.94 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 -0.04 0.48 0.00 4.83 0.00 -1.26 -4.06 105.19 105.13 3ijr n GLY 282 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.93 1.06 3.68 -0.02 0.00 -1.26 -2.87 105.19 102.84 3ijr n GLY 283 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 4.21 -0.03 1.61 1.01 -1.26 -4.69 120.40 119.25 3ijr s VAL 284 Ca 0.00 1.51 -0.30 0.00 0.00 0.00 0.00 61.98 63.19 3ijr s VAL 284 Cb 0.00 -3.97 -0.02 0.00 0.00 0.00 0.00 36.38 32.38 3ijr s VAL 284 CO 0.00 -0.06 0.98 -0.63 0.00 0.00 0.00 175.10 175.39 3ijr s ILE 285 N 2.81 4.85 -0.12 2.22 -1.09 -1.26 -4.93 121.20 123.67 3ijr s ILE 285 Ca 0.56 2.05 0.15 0.00 -2.23 0.00 0.00 60.65 61.18 3ijr s ILE 285 Cb -0.24 -4.31 0.34 0.00 -1.58 0.00 0.00 42.46 36.67 3ijr s ILE 285 CO 0.19 0.11 1.17 1.33 -1.23 0.00 0.00 174.94 176.52 3ijr n VAL 286 N 4.10 1.42 -3.22 2.92 0.24 -1.26 -4.95 118.33 117.58 3ijr n VAL 286 Ca 0.07 -2.18 -0.23 0.00 -2.04 0.00 0.00 64.34 59.95 3ijr n VAL 286 Cb 0.50 0.10 0.03 0.00 -1.47 0.00 0.00 33.84 33.01 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 -0.73 -5.49 -0.14 -1.34 5.15 -1.26 -5.04 115.26 106.41 3ijr n ASN 287 Ca 0.13 -0.37 0.15 0.00 -0.60 0.00 0.00 54.58 53.90 3ijr n ASN 287 Cb 0.78 -4.43 0.82 0.00 -0.53 0.00 0.00 39.78 36.42 3ijr n ASN 287 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27