#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ugu s ALA 5 N 0.00 3.72 0.13 1.55 0.00 -1.26 -4.72 121.76 121.18 1ugu s ALA 5 Ca 0.00 -0.32 -0.35 0.00 0.00 0.00 0.00 51.96 51.29 1ugu s ALA 5 Cb 0.00 -2.31 -0.16 0.00 0.00 0.00 0.00 23.12 20.65 1ugu s ALA 5 CO 0.00 0.53 1.39 0.34 0.00 0.00 0.00 175.76 178.02 1ugu n PHE 6 N 1.27 1.74 -0.73 0.00 -0.00 -1.26 -1.83 117.46 116.65 1ugu n PHE 6 Ca -0.10 0.53 0.00 0.00 -0.00 0.00 0.00 57.45 57.87 1ugu n PHE 6 Cb 0.52 -2.39 0.00 0.00 -0.00 0.00 0.00 39.48 37.61 1ugu n PHE 6 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1ugu n GLY 7 N 2.68 0.74 3.75 7.13 0.00 -1.26 -5.02 105.19 113.21 1ugu n GLY 7 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 1ugu n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ugu n SER 8 N 0.00 3.08 0.23 1.61 7.64 -0.76 -4.89 113.62 120.53 1ugu n SER 8 Ca 0.00 1.09 0.06 0.00 1.01 0.00 0.00 58.87 61.03 1ugu n SER 8 Cb 0.00 -1.58 0.54 0.00 -1.01 0.00 0.00 64.21 62.16 1ugu n SER 8 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1ugu h GLU 9 N 2.10 0.00 -0.10 1.43 4.57 -1.95 -2.71 114.58 117.92 1ugu h GLU 9 Ca -0.50 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 57.62 1ugu h GLU 9 Cb 1.28 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.83 1ugu h GLU 9 CO 0.60 0.15 -0.45 -0.40 -1.18 0.00 0.00 179.01 177.73 1ugu n ASP 10 N -4.32 2.01 -0.24 1.04 5.75 -1.26 -4.82 116.55 114.71 1ugu n ASP 10 Ca -0.03 -3.89 0.15 0.00 -0.01 0.00 0.00 54.79 51.02 1ugu n ASP 10 Cb 0.22 -0.54 0.44 0.00 -1.03 0.00 0.00 41.12 40.21 1ugu n ASP 10 CO 0.00 0.00 0.00 -0.29 -0.11 0.00 0.00 177.20 176.80 1ugu h ILE 11 N 1.06 0.78 0.00 2.12 2.10 -1.85 0.74 117.51 122.46 1ugu h ILE 11 Ca 0.06 -0.19 -0.05 0.00 1.08 0.00 0.00 64.86 65.75 1ugu h ILE 11 Cb 1.13 0.18 -0.01 0.00 -1.09 0.00 0.00 36.82 37.03 1ugu h ILE 11 CO 0.10 0.10 -0.26 1.05 -1.08 0.00 0.00 178.15 178.07 1ugu h GLU 12 N 0.55 0.00 -0.12 2.19 9.09 -1.87 -1.37 114.58 123.04 1ugu h GLU 12 Ca 0.44 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.81 1ugu h GLU 12 Cb 0.88 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.98 1ugu h GLU 12 CO -0.18 0.26 -0.08 -0.97 0.05 0.00 0.00 179.01 178.09 1ugu h ASN 13 N 0.00 0.28 -0.42 3.06 -1.24 -1.24 -2.25 115.58 113.77 1ugu h ASN 13 Ca -0.00 -0.44 -0.03 0.00 0.71 0.00 0.00 56.30 56.54 1ugu h ASN 13 Cb 0.52 -0.08 -0.02 0.00 0.73 0.00 0.00 38.32 39.47 1ugu h ASN 13 CO 0.03 0.65 0.13 0.74 -1.29 0.00 0.00 177.43 177.70 1ugu h THR 14 N -0.10 1.22 0.00 -3.57 2.02 -1.34 -2.99 112.91 108.14 1ugu h THR 14 Ca 0.02 -0.73 -0.07 0.00 0.77 0.00 0.00 66.41 66.41 1ugu h THR 14 Cb 0.56 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 67.87 1ugu h THR 14 CO 0.02 0.26 -0.35 -0.07 0.37 0.00 0.00 175.52 175.75 1ugu h LEU 15 N 0.53 0.00 -2.29 2.58 4.07 -1.32 -2.81 115.31 116.07 1ugu h LEU 15 Ca 0.13 0.00 0.02 0.00 0.08 0.00 0.00 57.88 58.11 1ugu h LEU 15 Cb 0.27 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.00 1ugu h LEU 15 CO -0.00 0.35 0.05 0.00 -1.08 0.00 0.00 178.44 177.76 1ugu h ALA 16 N 1.65 1.74 -0.01 1.53 0.00 -1.25 -1.86 119.26 121.07 1ugu h ALA 16 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ugu h ALA 16 Cb 0.95 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1ugu h ALA 16 CO 0.04 -0.08 -0.16 1.63 0.00 0.00 0.00 179.25 180.68 1ugu n LYS 17 N -4.03 0.93 -3.75 0.00 5.02 -1.06 -4.95 118.16 110.32 1ugu n LYS 17 Ca -0.02 -0.48 -0.36 0.00 -2.02 0.00 0.00 58.31 55.43 1ugu n LYS 17 Cb 0.15 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 33.61 1ugu n LYS 17 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1ugu s MET 18 N -2.40 3.60 0.20 1.97 -1.94 -0.70 -5.12 119.30 114.92 1ugu s MET 18 Ca 0.29 0.01 -0.00 0.00 -1.71 0.00 0.00 55.69 54.28 1ugu s MET 18 Cb 0.20 -3.15 0.04 0.00 2.01 0.00 0.00 34.83 33.92 1ugu s MET 18 CO 0.47 0.71 0.28 -0.40 -0.01 0.00 0.00 175.02 176.07 1ugu n ASP 19 N 1.61 0.37 -0.06 3.03 3.85 -1.26 -4.85 116.55 119.24 1ugu n ASP 19 Ca -0.15 -1.31 -0.10 0.00 -0.71 0.00 0.00 54.79 52.51 1ugu n ASP 19 Cb 0.54 -0.18 -0.03 0.00 -1.35 0.00 0.00 41.12 40.09 1ugu n ASP 19 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.20 176.63 1ugu h ASP 20 N -0.17 0.29 -0.88 -1.12 3.45 -1.99 -0.11 116.42 115.88 1ugu h ASP 20 Ca -0.09 -0.09 0.03 0.00 0.43 0.00 0.00 57.03 57.30 1ugu h ASP 20 Cb 0.34 -0.07 -0.05 0.00 -0.56 0.00 0.00 39.33 38.99 1ugu h ASP 20 CO 0.10 0.30 0.58 1.23 -1.57 0.00 0.00 179.24 179.87 1ugu h GLY 21 N 0.25 1.27 0.91 2.75 0.00 -1.97 0.16 103.07 106.45 1ugu h GLY 21 Ca 0.08 -0.45 -0.09 0.00 0.00 0.00 0.00 47.33 46.88 1ugu h GLY 21 CO -0.01 0.40 -0.17 1.46 0.00 0.00 0.00 176.54 178.22 1ugu h GLN 22 N 1.14 0.62 -0.74 4.80 4.20 -1.85 -2.18 115.11 121.10 1ugu h GLN 22 Ca 0.34 -0.28 -0.00 0.00 0.06 0.00 0.00 58.65 58.77 1ugu h GLN 22 Cb -0.04 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.69 1ugu h GLN 22 CO -0.10 0.87 0.46 -0.07 -0.67 0.00 0.00 178.83 179.32 1ugu h LEU 23 N 0.37 0.87 -1.05 1.46 3.38 -0.60 -0.33 115.31 119.41 1ugu h LEU 23 Ca 0.06 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1ugu h LEU 23 Cb 0.70 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1ugu h LEU 23 CO 0.05 0.66 0.00 0.44 0.09 0.00 0.00 178.44 179.68 1ugu h ASP 24 N 1.01 0.00 0.11 -0.43 3.32 -0.43 -2.59 116.42 117.43 1ugu h ASP 24 Ca 0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.32 1ugu h ASP 24 Cb -0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.49 1ugu h ASP 24 CO -0.05 0.00 -0.14 0.61 -1.72 0.00 0.00 179.24 177.93 1ugu n GLY 25 N -0.29 -0.29 3.75 2.75 0.00 -0.14 -4.49 105.19 106.49 1ugu n GLY 25 Ca 0.01 -0.43 -0.35 0.00 0.00 0.00 0.00 46.02 45.25 1ugu n GLY 25 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ugu s LEU 26 N -2.27 3.50 0.16 0.99 1.43 -0.98 -4.92 118.68 116.60 1ugu s LEU 26 Ca 0.30 2.24 0.25 0.00 -1.03 0.00 0.00 54.13 55.90 1ugu s LEU 26 Cb 0.20 -4.58 0.92 0.00 0.03 0.00 0.00 46.19 42.76 1ugu s LEU 26 CO 0.43 -1.75 1.77 0.00 0.23 0.00 0.00 176.35 177.04 1ugu n ALA 27 N -2.11 2.11 -2.40 4.21 0.00 -1.26 -4.72 120.51 116.34 1ugu n ALA 27 Ca 0.12 -0.02 -0.20 0.00 0.00 0.00 0.00 53.44 53.35 1ugu n ALA 27 Cb 0.51 -1.44 -0.11 0.00 0.00 0.00 0.00 19.45 18.42 1ugu n ALA 27 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1ugu s PHE 28 N -3.12 1.72 0.34 0.00 -0.12 -1.26 -5.04 117.98 110.50 1ugu s PHE 28 Ca 0.10 -0.53 -0.28 0.00 -0.05 0.00 0.00 56.93 56.16 1ugu s PHE 28 Cb 0.13 -0.83 -0.10 0.00 -0.63 0.00 0.00 43.02 41.59 1ugu s PHE 28 CO 0.52 0.33 1.29 0.20 -0.05 0.00 0.00 175.22 177.51 1ugu s GLY 29 N -3.00 2.99 -0.05 1.99 0.00 0.26 -4.59 107.32 104.91 1ugu s GLY 29 Ca 0.19 1.23 -0.02 0.00 0.00 0.00 0.00 44.72 46.12 1ugu s GLY 29 CO 0.06 1.87 0.09 0.00 0.00 0.00 0.00 173.10 175.12 1ugu s ALA 30 N -1.16 0.10 -0.03 3.20 0.00 -1.26 -1.12 121.76 121.49 1ugu s ALA 30 Ca 0.50 0.31 0.07 0.00 0.00 0.00 0.00 51.96 52.84 1ugu s ALA 30 Cb -0.39 -0.64 -0.02 0.00 0.00 0.00 0.00 23.12 22.07 1ugu s ALA 30 CO 0.51 -0.48 -0.25 0.42 0.00 0.00 0.00 175.76 175.97 1ugu s ILE 31 N 2.10 2.14 -0.13 0.00 1.01 0.09 -1.54 121.20 124.87 1ugu s ILE 31 Ca 0.03 -1.07 -0.00 0.00 0.00 0.00 0.00 60.65 59.61 1ugu s ILE 31 Cb -0.12 -1.75 -0.02 0.00 0.01 0.00 0.00 42.46 40.59 1ugu s ILE 31 CO -0.04 0.58 -0.13 -1.58 0.00 0.00 0.00 174.94 173.78 1ugu s GLN 32 N -0.54 3.38 0.12 2.79 0.74 -0.44 -0.42 119.66 125.29 1ugu s GLN 32 Ca 0.08 -0.68 0.08 0.00 0.05 0.00 0.00 55.36 54.90 1ugu s GLN 32 Cb -0.11 -2.64 -0.04 0.00 1.10 0.00 0.00 33.01 31.32 1ugu s GLN 32 CO -0.00 0.23 -0.15 -0.51 -0.55 0.00 0.00 175.29 174.31 1ugu s LEU 33 N 0.32 2.83 0.93 3.68 1.43 0.62 0.07 118.68 128.56 1ugu s LEU 33 Ca -0.10 -0.52 -0.13 0.00 -1.03 0.00 0.00 54.13 52.35 1ugu s LEU 33 Cb -0.16 -1.63 0.20 0.00 0.03 0.00 0.00 46.19 44.63 1ugu s LEU 33 CO 0.05 0.17 1.27 1.51 0.23 0.00 0.00 176.35 179.58 1ugu s ASP 34 N -2.27 3.18 0.58 2.29 1.47 -0.41 -0.29 116.67 121.22 1ugu s ASP 34 Ca 0.20 0.03 0.34 0.00 1.18 0.00 0.00 52.55 54.30 1ugu s ASP 34 Cb -0.10 -0.06 1.81 0.00 -0.34 0.00 0.00 42.92 44.22 1ugu s ASP 34 CO 0.12 -2.67 2.18 1.23 0.68 0.00 0.00 175.17 176.71 1ugu h GLY 35 N -1.48 0.00 -0.31 2.12 0.00 -1.91 -0.42 103.07 101.07 1ugu h GLY 35 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.91 1ugu h GLY 35 CO 0.34 0.00 -0.06 1.22 0.00 0.00 0.00 176.54 178.05 1ugu n ASP 36 N -3.42 1.39 0.00 0.19 8.00 -1.26 -4.94 116.55 116.51 1ugu n ASP 36 Ca -0.02 -1.36 0.00 0.00 0.71 0.00 0.00 54.79 54.12 1ugu n ASP 36 Cb 0.17 0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.30 1ugu n ASP 36 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ugu n GLY 37 N 1.21 0.67 3.76 0.44 0.00 -0.17 -4.92 105.19 106.19 1ugu n GLY 37 Ca 0.18 -0.08 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 1ugu n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ugu s ASN 38 N -2.07 7.52 -0.24 1.61 0.01 -1.26 -0.92 114.94 119.59 1ugu s ASN 38 Ca 0.00 1.98 -0.29 0.00 -0.71 0.00 0.00 52.86 53.84 1ugu s ASN 38 Cb 0.00 -2.61 0.01 0.00 0.41 0.00 0.00 41.25 39.06 1ugu s ASN 38 CO 0.00 0.06 1.02 -0.63 -1.51 0.00 0.00 177.10 176.05 1ugu s ILE 39 N -1.26 4.68 -0.15 0.60 1.01 0.10 -1.28 121.20 124.89 1ugu s ILE 39 Ca 0.43 1.96 0.01 0.00 0.00 0.00 0.00 60.65 63.05 1ugu s ILE 39 Cb -0.25 -4.30 -0.23 0.00 0.01 0.00 0.00 42.46 37.69 1ugu s ILE 39 CO 0.32 -0.19 0.22 0.18 0.00 0.00 0.00 174.94 175.46 1ugu n LEU 40 N 6.33 2.27 -3.83 2.97 4.77 0.11 -0.84 117.00 128.78 1ugu n LEU 40 Ca 0.11 0.12 -0.11 0.00 -0.03 0.00 0.00 56.01 56.10 1ugu n LEU 40 Cb 0.46 -0.75 -0.09 0.00 -2.33 0.00 0.00 43.42 40.72 1ugu n LEU 40 CO 0.52 0.78 -0.10 -1.10 -1.33 0.00 0.00 177.39 176.17 1ugu s GLN 41 N -2.55 0.61 -0.29 3.23 -0.21 -1.08 -4.90 119.66 114.48 1ugu s GLN 41 Ca -0.22 -0.45 -0.06 0.00 0.02 0.00 0.00 55.36 54.64 1ugu s GLN 41 Cb 0.07 0.26 0.15 0.00 1.00 0.00 0.00 33.01 34.49 1ugu s GLN 41 CO 0.73 -0.17 0.61 -0.47 -2.12 0.00 0.00 175.29 173.87 1ugu s TYR 42 N -1.86 -1.39 0.65 0.91 6.14 -1.26 -1.32 117.35 119.22 1ugu s TYR 42 Ca -0.11 2.00 -0.01 0.00 0.64 0.00 0.00 57.07 59.60 1ugu s TYR 42 Cb -0.04 0.66 0.08 0.00 0.42 0.00 0.00 41.96 43.08 1ugu s TYR 42 CO -0.00 -0.74 0.91 0.54 0.64 0.00 0.00 175.55 176.90 1ugu s ASN 43 N 2.85 4.77 0.20 4.32 4.22 -0.59 -4.77 114.94 125.95 1ugu s ASN 43 Ca 0.05 -0.12 -0.06 0.00 -2.14 0.00 0.00 52.86 50.59 1ugu s ASN 43 Cb -0.13 -0.50 0.15 0.00 1.28 0.00 0.00 41.25 42.05 1ugu s ASN 43 CO -0.19 -1.55 1.64 0.00 -2.04 0.00 0.00 177.10 174.96 1ugu h ALA 44 N -0.30 0.86 -0.48 3.54 0.00 -1.83 -2.66 119.26 118.40 1ugu h ALA 44 Ca -0.40 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.13 1ugu h ALA 44 Cb 1.28 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1ugu h ALA 44 CO 0.47 0.64 0.15 0.00 0.00 0.00 0.00 179.25 180.52 1ugu h ALA 45 N 1.04 1.37 -0.17 0.00 0.00 -1.83 -1.35 119.26 118.31 1ugu h ALA 45 Ca 0.12 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1ugu h ALA 45 Cb 0.67 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1ugu h ALA 45 CO 0.05 0.46 0.05 0.37 0.00 0.00 0.00 179.25 180.19 1ugu h GLN 46 N 0.69 0.27 0.00 0.00 5.75 -1.73 -2.76 115.11 117.33 1ugu h GLN 46 Ca 0.16 -0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 58.58 1ugu h GLN 46 Cb 0.21 -0.04 -0.00 0.00 1.07 0.00 0.00 27.48 28.71 1ugu h GLN 46 CO -0.01 0.38 -0.12 0.78 -2.65 0.00 0.00 178.83 177.22 1ugu h GLY 47 N 0.10 0.00 2.00 2.39 0.00 -1.15 -0.37 103.07 106.04 1ugu h GLY 47 Ca 0.06 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.34 1ugu h GLY 47 CO -0.00 0.00 -0.22 -0.55 0.00 0.00 0.00 176.54 175.77 1ugu h ASP 48 N 0.00 0.00 0.29 0.19 3.32 -0.99 0.29 116.42 119.52 1ugu h ASP 48 Ca -0.00 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.71 1ugu h ASP 48 Cb 0.22 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.79 1ugu h ASP 48 CO 0.01 0.22 -1.56 0.40 -1.72 0.00 0.00 179.24 176.59 1ugu h ILE 49 N 0.00 1.17 0.00 0.35 2.04 -0.87 -3.41 117.51 116.78 1ugu h ILE 49 Ca -0.00 -2.68 0.00 0.00 1.00 0.00 0.00 64.86 63.18 1ugu h ILE 49 Cb 0.44 2.91 0.00 0.00 -0.74 0.00 0.00 36.82 39.43 1ugu h ILE 49 CO 0.03 0.84 -1.06 0.35 0.00 0.00 0.00 178.15 178.31 1ugu n THR 50 N -3.63 0.00 -0.99 -0.27 -2.24 -0.59 -4.97 114.28 101.59 1ugu n THR 50 Ca -0.19 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 1ugu n THR 50 Cb 1.08 0.69 0.00 0.00 -2.10 0.00 0.00 70.33 70.00 1ugu n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ugu n GLY 51 N 1.46 0.58 3.81 3.38 0.00 0.08 -4.72 105.19 109.78 1ugu n GLY 51 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 1ugu n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ugu s ARG 52 N -0.14 4.24 -0.32 1.61 3.00 -1.25 -5.03 118.95 121.06 1ugu s ARG 52 Ca 0.00 0.82 -0.29 0.00 0.00 0.00 0.00 55.73 56.26 1ugu s ARG 52 Cb 0.00 -3.00 0.01 0.00 0.00 0.00 0.00 34.95 31.96 1ugu s ARG 52 CO 0.00 0.48 1.16 0.34 0.00 0.00 0.00 175.30 177.28 1ugu s ASP 53 N -1.50 6.83 0.54 0.23 2.15 -1.26 -4.43 116.67 119.23 1ugu s ASP 53 Ca 0.39 1.10 0.22 0.00 0.43 0.00 0.00 52.55 54.68 1ugu s ASP 53 Cb -0.18 -2.54 1.48 0.00 -0.30 0.00 0.00 42.92 41.38 1ugu s ASP 53 CO 0.21 -0.96 2.17 -0.65 -0.17 0.00 0.00 175.17 175.77 1ugu h PRO 54 N 8.56 0.00 0.00 4.34 0.11 -1.88 -0.75 132.00 142.38 1ugu h PRO 54 Ca -0.23 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.83 1ugu h PRO 54 Cb 1.07 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1ugu h PRO 54 CO 1.04 0.02 -0.23 0.87 -0.21 0.00 0.00 178.00 179.49 1ugu h LYS 55 N 0.00 0.00 0.00 1.05 1.57 -1.91 -3.34 116.57 113.94 1ugu h LYS 55 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1ugu h LYS 55 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.36 1ugu h LYS 55 CO 0.00 0.23 -1.50 1.04 -0.57 0.00 0.00 179.45 178.66 1ugu n GLN 56 N -3.33 0.78 0.08 3.15 1.13 -0.33 -4.39 117.38 114.46 1ugu n GLN 56 Ca 0.01 -0.11 0.13 0.00 -1.94 0.00 0.00 57.00 55.08 1ugu n GLN 56 Cb 0.47 -1.33 0.46 0.00 0.11 0.00 0.00 30.24 29.95 1ugu n GLN 56 CO 0.00 0.00 0.00 1.33 -1.44 0.00 0.00 177.06 176.95 1ugu n VAL 57 N -1.90 0.49 -1.68 5.09 0.24 -0.92 -4.83 118.33 114.82 1ugu n VAL 57 Ca -0.02 -0.14 -0.45 0.00 -2.04 0.00 0.00 64.34 61.70 1ugu n VAL 57 Cb 0.36 -0.64 -0.04 0.00 -1.47 0.00 0.00 33.84 32.05 1ugu n VAL 57 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 1ugu n ILE 58 N -2.04 0.06 0.00 1.34 2.08 -1.26 -1.72 119.36 117.82 1ugu n ILE 58 Ca 0.05 -0.01 0.00 0.00 0.56 0.00 0.00 62.75 63.35 1ugu n ILE 58 Cb 0.38 -1.72 0.00 0.00 -0.75 0.00 0.00 39.64 37.55 1ugu n ILE 58 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1ugu n GLY 59 N 3.68 3.06 3.87 7.39 0.00 -0.02 -4.99 105.19 118.17 1ugu n GLY 59 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1ugu n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ugu s LYS 60 N -0.90 3.03 -0.23 1.61 1.02 -0.70 -4.61 119.74 118.96 1ugu s LYS 60 Ca 0.00 0.61 -0.19 0.00 0.02 0.00 0.00 55.97 56.41 1ugu s LYS 60 Cb 0.00 -2.03 -0.03 0.00 -0.52 0.00 0.00 37.83 35.25 1ugu s LYS 60 CO 0.00 -0.94 0.54 1.21 -0.92 0.00 0.00 175.35 175.23 1ugu s ASN 61 N -4.22 6.52 0.14 2.83 3.84 -1.26 -0.72 114.94 122.08 1ugu s ASN 61 Ca 0.57 0.63 -0.16 0.00 0.21 0.00 0.00 52.86 54.11 1ugu s ASN 61 Cb -0.12 -2.30 0.01 0.00 -0.55 0.00 0.00 41.25 38.29 1ugu s ASN 61 CO 0.53 -0.25 1.76 0.15 -2.79 0.00 0.00 177.10 176.50 1ugu h PHE 62 N 7.72 0.54 0.05 0.43 3.57 -1.38 -1.03 116.94 126.83 1ugu h PHE 62 Ca -0.31 -0.01 -0.24 0.00 3.53 0.00 0.00 57.97 60.94 1ugu h PHE 62 Cb 1.14 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.69 1ugu h PHE 62 CO 0.73 0.40 -1.18 0.74 -2.23 0.00 0.00 178.31 176.77 1ugu h PHE 63 N 0.52 0.19 0.10 0.41 0.04 -1.83 0.11 116.94 116.48 1ugu h PHE 63 Ca 0.14 -0.14 -0.24 0.00 2.80 0.00 0.00 57.97 60.53 1ugu h PHE 63 Cb 0.03 -0.01 -0.00 0.00 2.20 0.00 0.00 35.95 38.17 1ugu h PHE 63 CO -0.03 1.12 -1.22 -0.22 -0.60 0.00 0.00 178.31 177.36 1ugu h LYS 64 N 0.03 0.22 0.00 1.51 3.64 -1.87 -3.38 116.57 116.71 1ugu h LYS 64 Ca -0.09 -0.37 -0.23 0.00 -1.27 0.00 0.00 60.65 58.69 1ugu h LYS 64 Cb 1.87 0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 33.79 1ugu h LYS 64 CO 0.15 1.18 -1.78 -0.25 -2.27 0.00 0.00 179.45 176.48 1ugu n ASP 65 N -4.04 1.65 0.02 4.20 8.00 -0.43 -4.73 116.55 121.22 1ugu n ASP 65 Ca -0.23 0.09 -0.21 0.00 0.71 0.00 0.00 54.79 55.15 1ugu n ASP 65 Cb 0.84 -0.35 -0.14 0.00 -0.02 0.00 0.00 41.12 41.46 1ugu n ASP 65 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1ugu h VAL 66 N -0.34 1.08 -2.10 2.53 2.07 -1.41 -3.42 116.25 114.67 1ugu h VAL 66 Ca -0.34 -2.43 -0.54 0.00 0.82 0.00 0.00 66.70 64.21 1ugu h VAL 66 Cb 1.36 2.78 -0.41 0.00 -1.52 0.00 0.00 31.29 33.51 1ugu h VAL 66 CO -0.16 0.72 -0.95 0.00 0.02 0.00 0.00 177.57 177.20 1ugu n ALA 67 N -2.92 3.06 0.27 1.67 0.00 0.38 -4.95 120.51 118.02 1ugu n ALA 67 Ca -0.23 -3.92 0.11 0.00 0.00 0.00 0.00 53.44 49.39 1ugu n ALA 67 Cb 0.91 -0.85 0.74 0.00 0.00 0.00 0.00 19.45 20.25 1ugu n ALA 67 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1ugu h PRO 68 N 3.42 0.00 0.00 0.00 0.13 -1.76 -1.11 132.00 132.69 1ugu h PRO 68 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1ugu h PRO 68 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 1ugu h PRO 68 CO 0.62 0.05 0.00 0.00 -0.23 0.00 0.00 178.00 178.44 1ugu n THR 70 N -2.80 0.00 -2.58 0.00 -2.24 -0.42 -4.63 114.28 101.61 1ugu n THR 70 Ca -0.01 -0.10 -0.42 0.00 -2.27 0.00 0.00 64.05 61.25 1ugu n THR 70 Cb 0.14 0.24 -0.02 0.00 -2.10 0.00 0.00 70.33 68.59 1ugu n THR 70 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ugu s ASP 71 N -2.52 6.62 0.02 3.42 2.15 -0.56 -1.42 116.67 124.39 1ugu s ASP 71 Ca 0.25 -1.81 -0.27 0.00 0.43 0.00 0.00 52.55 51.14 1ugu s ASP 71 Cb 0.19 -2.57 0.09 0.00 -0.30 0.00 0.00 42.92 40.34 1ugu s ASP 71 CO 0.51 -1.38 0.80 -0.94 -0.17 0.00 0.00 175.17 173.99 1ugu s SER 72 N 4.67 -0.45 0.46 -0.34 1.04 -1.26 -4.97 113.70 112.85 1ugu s SER 72 Ca 0.48 0.12 0.15 0.00 0.48 0.00 0.00 55.95 57.18 1ugu s SER 72 Cb 0.01 0.45 1.11 0.00 0.10 0.00 0.00 66.02 67.70 1ugu s SER 72 CO -0.04 -0.69 2.02 -0.65 0.98 0.00 0.00 173.24 174.86 1ugu h PRO 73 N 2.16 0.28 0.00 4.02 0.11 -1.94 -0.37 132.00 136.26 1ugu h PRO 73 Ca -0.26 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.83 1ugu h PRO 73 Cb 1.24 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 1ugu h PRO 73 CO 0.34 0.19 -0.01 0.93 -0.21 0.00 0.00 178.00 179.24 1ugu h GLU 74 N 0.29 0.00 0.00 1.05 3.07 -1.96 -3.04 114.58 114.00 1ugu h GLU 74 Ca 0.22 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.08 1ugu h GLU 74 Cb 0.48 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.39 1ugu h GLU 74 CO -0.05 0.01 0.00 0.34 -1.40 0.00 0.00 179.01 177.91 1ugu n PHE 75 N -3.10 0.00 -0.33 4.33 -0.00 -1.01 -4.63 117.46 112.72 1ugu n PHE 75 Ca 0.01 0.00 0.06 0.00 -0.00 0.00 0.00 57.45 57.52 1ugu n PHE 75 Cb 0.34 0.12 0.22 0.00 -0.00 0.00 0.00 39.48 40.16 1ugu n PHE 75 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.76 175.84 1ugu h TYR 76 N 0.00 0.99 -0.60 -5.13 3.20 -0.49 -0.88 116.97 114.06 1ugu h TYR 76 Ca 0.00 0.03 0.05 0.00 3.14 0.00 0.00 58.73 61.95 1ugu h TYR 76 Cb 0.00 -0.30 -0.05 0.00 1.54 0.00 0.00 36.73 37.92 1ugu h TYR 76 CO 0.00 0.36 0.32 0.78 -1.64 0.00 0.00 178.16 177.98 1ugu h GLY 77 N 0.85 0.86 1.42 1.82 0.00 -1.05 -0.52 103.07 106.45 1ugu h GLY 77 Ca 0.47 -0.23 -0.10 0.00 0.00 0.00 0.00 47.33 47.47 1ugu h GLY 77 CO -0.29 0.14 -0.21 0.50 0.00 0.00 0.00 176.54 176.68 1ugu h LYS 78 N 0.61 0.67 0.23 4.80 1.57 -1.14 -2.03 116.57 121.30 1ugu h LYS 78 Ca 0.27 -0.26 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1ugu h LYS 78 Cb 0.15 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 1ugu h LYS 78 CO -0.17 0.84 -0.13 0.35 -0.57 0.00 0.00 179.45 179.77 1ugu h PHE 79 N 0.59 -0.33 -0.12 -1.35 3.57 -0.53 -1.93 116.94 116.83 1ugu h PHE 79 Ca 0.09 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.49 1ugu h PHE 79 Cb 0.69 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.53 1ugu h PHE 79 CO 0.03 -0.20 -0.34 1.57 -2.23 0.00 0.00 178.31 177.14 1ugu h LYS 80 N -0.34 0.24 -0.75 1.11 5.09 -1.03 -0.19 116.57 120.71 1ugu h LYS 80 Ca -0.03 -0.10 -0.01 0.00 0.09 0.00 0.00 60.65 60.60 1ugu h LYS 80 Cb 0.27 -0.01 -0.04 0.00 0.10 0.00 0.00 32.23 32.56 1ugu h LYS 80 CO 0.04 0.56 0.41 0.93 -2.09 0.00 0.00 179.45 179.30 1ugu h GLU 81 N 0.21 1.04 -0.04 0.07 5.08 -1.25 -1.26 114.58 118.43 1ugu h GLU 81 Ca 0.03 -0.12 -0.21 0.00 -1.00 0.00 0.00 59.36 58.06 1ugu h GLU 81 Cb 0.71 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 1ugu h GLU 81 CO 0.05 0.77 -0.84 0.78 -1.00 0.00 0.00 179.01 178.78 1ugu h GLY 82 N 1.03 0.47 0.99 -3.84 0.00 -0.75 -0.72 103.07 100.25 1ugu h GLY 82 Ca 0.26 -0.74 -0.00 0.00 0.00 0.00 0.00 47.33 46.85 1ugu h GLY 82 CO -0.04 0.66 0.28 -2.08 0.00 0.00 0.00 176.54 175.35 1ugu h VAL 83 N 0.27 1.14 -0.46 4.60 2.07 -0.87 -1.20 116.25 121.80 1ugu h VAL 83 Ca -0.06 -0.31 -0.07 0.00 0.82 0.00 0.00 66.70 67.08 1ugu h VAL 83 Cb 1.44 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 1ugu h VAL 83 CO 0.15 0.14 -0.01 0.00 0.02 0.00 0.00 177.57 177.87 1ugu h ALA 84 N 1.13 0.61 0.00 1.67 0.00 -1.13 -3.09 119.26 118.46 1ugu h ALA 84 Ca 0.16 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1ugu h ALA 84 Cb -0.01 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1ugu h ALA 84 CO -0.03 0.42 -0.02 0.66 0.00 0.00 0.00 179.25 180.28 1ugu h SER 85 N 0.66 0.00 0.00 0.00 4.64 -1.03 -3.46 113.55 114.35 1ugu h SER 85 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1ugu h SER 85 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1ugu h SER 85 CO 0.02 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 176.61 1ugu n GLY 86 N 0.86 0.39 2.49 -0.77 0.00 -0.46 -4.92 105.19 102.77 1ugu n GLY 86 Ca 0.03 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.87 1ugu n GLY 86 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ugu n ASN 87 N -0.22 3.48 -4.64 1.61 4.05 -1.15 -5.03 115.26 113.36 1ugu n ASN 87 Ca 0.00 -3.24 -0.43 0.00 0.45 0.00 0.00 54.58 51.36 1ugu n ASN 87 Cb 0.11 -0.46 -0.03 0.00 1.23 0.00 0.00 39.78 40.63 1ugu n ASN 87 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 177.26 173.99 1ugu s LEU 88 N -3.47 4.00 -0.32 1.20 2.96 -1.19 -4.88 118.68 116.98 1ugu s LEU 88 Ca 0.40 2.14 -0.06 0.00 -0.22 0.00 0.00 54.13 56.39 1ugu s LEU 88 Cb 0.41 -3.53 0.19 0.00 0.50 0.00 0.00 46.19 43.76 1ugu s LEU 88 CO -0.07 -1.36 0.94 0.21 -1.32 0.00 0.00 176.35 174.76 1ugu s ASN 89 N 5.39 -0.68 -0.07 3.68 2.47 -1.20 -1.02 114.94 123.51 1ugu s ASN 89 Ca 0.86 -0.12 -0.15 0.00 0.42 0.00 0.00 52.86 53.87 1ugu s ASN 89 Cb -0.34 1.14 0.03 0.00 -1.45 0.00 0.00 41.25 40.63 1ugu s ASN 89 CO 0.35 -0.10 0.36 0.28 -3.72 0.00 0.00 177.10 174.27 1ugu s THR 90 N 2.43 0.03 -0.01 -5.21 -1.32 0.48 -4.99 115.64 107.06 1ugu s THR 90 Ca 0.19 -0.23 0.04 0.00 -1.21 0.00 0.00 61.69 60.48 1ugu s THR 90 Cb -0.01 -0.59 -0.01 0.00 -1.51 0.00 0.00 72.50 70.38 1ugu s THR 90 CO -0.18 -0.13 -0.12 -0.32 -2.21 0.00 0.00 174.62 171.66 1ugu s MET 91 N -0.61 1.00 0.16 7.08 1.75 -1.26 -0.37 119.30 127.04 1ugu s MET 91 Ca -0.07 -0.44 -0.24 0.00 -1.25 0.00 0.00 55.69 53.68 1ugu s MET 91 Cb -0.04 -0.96 0.06 0.00 2.84 0.00 0.00 34.83 36.73 1ugu s MET 91 CO 0.03 0.26 0.84 -0.59 -0.65 0.00 0.00 175.02 174.91 1ugu s PHE 92 N -0.29 -0.24 0.24 4.11 -0.71 -0.31 -5.00 117.98 115.78 1ugu s PHE 92 Ca 0.05 -0.06 -0.02 0.00 -1.04 0.00 0.00 56.93 55.86 1ugu s PHE 92 Cb -0.05 0.63 -0.04 0.00 -1.21 0.00 0.00 43.02 42.35 1ugu s PHE 92 CO -0.00 -0.89 0.45 -1.21 -1.34 0.00 0.00 175.22 172.23 1ugu s GLU 93 N -3.48 3.55 0.23 1.99 2.02 -1.26 -0.14 118.70 121.60 1ugu s GLU 93 Ca 0.09 -0.25 -0.22 0.00 0.02 0.00 0.00 54.97 54.62 1ugu s GLU 93 Cb -0.02 -2.77 0.04 0.00 0.10 0.00 0.00 34.13 31.47 1ugu s GLU 93 CO -0.01 0.33 0.66 -0.47 0.02 0.00 0.00 175.26 175.80 1ugu s TYR 94 N -1.96 -0.33 -0.11 1.61 5.04 -0.60 -4.92 117.35 116.09 1ugu s TYR 94 Ca 0.40 -0.02 0.03 0.00 -2.44 0.00 0.00 57.07 55.04 1ugu s TYR 94 Cb -0.11 0.63 0.01 0.00 0.35 0.00 0.00 41.96 42.84 1ugu s TYR 94 CO 0.30 -1.07 -0.20 0.99 -1.34 0.00 0.00 175.55 174.23 1ugu s THR 95 N -3.85 1.83 -0.21 4.34 2.01 -1.26 -0.74 115.64 117.76 1ugu s THR 95 Ca 0.07 -0.87 -0.08 0.00 0.31 0.00 0.00 61.69 61.12 1ugu s THR 95 Cb -0.04 -1.61 -0.04 0.00 0.01 0.00 0.00 72.50 70.82 1ugu s THR 95 CO -0.02 0.51 0.10 -0.36 -0.69 0.00 0.00 174.62 174.16 1ugu s PHE 96 N 0.61 3.26 0.00 4.92 0.08 -0.22 -4.91 117.98 121.72 1ugu s PHE 96 Ca -0.13 0.08 0.00 0.00 0.12 0.00 0.00 56.93 57.00 1ugu s PHE 96 Cb -0.17 -2.16 0.00 0.00 -0.57 0.00 0.00 43.02 40.13 1ugu s PHE 96 CO 0.04 0.08 0.48 -0.40 -0.10 0.00 0.00 175.22 175.32 1ugu n ASP 97 N 3.91 0.00 -4.59 1.36 5.68 -1.26 -1.08 116.55 120.56 1ugu n ASP 97 Ca -0.16 -1.22 -0.40 0.00 -0.50 0.00 0.00 54.79 52.51 1ugu n ASP 97 Cb 0.52 -0.04 -0.08 0.00 -1.14 0.00 0.00 41.12 40.38 1ugu n ASP 97 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1ugu s TYR 98 N 0.00 3.22 -1.51 2.11 5.04 -1.26 -4.30 117.35 120.65 1ugu s TYR 98 Ca 0.00 0.44 -0.13 0.00 -2.44 0.00 0.00 57.07 54.94 1ugu s TYR 98 Cb 0.00 -2.82 0.08 0.00 0.35 0.00 0.00 41.96 39.58 1ugu s TYR 98 CO 0.00 -0.40 0.89 1.04 -1.34 0.00 0.00 175.55 175.75 1ugu n GLN 99 N 5.64 -5.11 -3.45 4.97 6.02 -1.26 -4.96 117.38 119.23 1ugu n GLN 99 Ca -0.04 0.59 -0.12 0.00 -0.01 0.00 0.00 57.00 57.42 1ugu n GLN 99 Cb 0.49 -5.45 -0.02 0.00 1.02 0.00 0.00 30.24 26.28 1ugu n GLN 99 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ugu s MET 100 N -6.51 1.25 0.33 -1.09 0.23 -1.26 -4.89 119.30 107.36 1ugu s MET 100 Ca 0.62 -0.50 -0.29 0.00 -1.03 0.00 0.00 55.69 54.49 1ugu s MET 100 Cb -0.31 0.57 -0.11 0.00 -1.53 0.00 0.00 34.83 33.45 1ugu s MET 100 CO 0.76 -0.54 1.44 0.99 -2.03 0.00 0.00 175.02 175.64 1ugu s THR 101 N -3.75 2.36 0.09 3.16 2.01 -1.26 -4.70 115.64 113.56 1ugu s THR 101 Ca 0.01 0.34 -0.33 0.00 0.31 0.00 0.00 61.69 62.02 1ugu s THR 101 Cb -0.01 -3.22 -0.13 0.00 0.01 0.00 0.00 72.50 69.16 1ugu s THR 101 CO -0.13 0.07 1.71 -2.65 -0.69 0.00 0.00 174.62 172.94 1ugu n PRO 102 N 1.10 2.33 -3.78 4.92 -0.02 -1.26 -4.71 135.00 133.57 1ugu n PRO 102 Ca 0.03 0.84 -0.23 0.00 -2.02 0.00 0.00 63.50 62.12 1ugu n PRO 102 Cb 0.40 -2.66 -0.17 0.00 -0.02 0.00 0.00 33.50 31.04 1ugu n PRO 102 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1ugu s THR 103 N 2.08 0.44 0.13 3.45 2.01 -0.25 -4.96 115.64 118.53 1ugu s THR 103 Ca 0.83 0.07 -0.30 0.00 0.31 0.00 0.00 61.69 62.59 1ugu s THR 103 Cb -0.63 -0.59 -0.07 0.00 0.01 0.00 0.00 72.50 71.22 1ugu s THR 103 CO 0.41 0.26 1.08 -0.54 -0.69 0.00 0.00 174.62 175.14 1ugu s LYS 104 N 1.95 4.58 0.17 4.92 1.02 -1.26 -1.06 119.74 130.05 1ugu s LYS 104 Ca 0.05 1.66 -0.00 0.00 0.02 0.00 0.00 55.97 57.69 1ugu s LYS 104 Cb -0.12 -3.32 -0.04 0.00 -0.52 0.00 0.00 37.83 33.82 1ugu s LYS 104 CO -0.06 0.02 0.06 0.14 -0.92 0.00 0.00 175.35 174.60 1ugu s VAL 105 N 0.16 0.28 -0.08 3.17 -7.23 0.08 -2.34 120.40 114.44 1ugu s VAL 105 Ca 0.51 -1.96 0.01 0.00 -1.81 0.00 0.00 61.98 58.73 1ugu s VAL 105 Cb -0.28 -2.24 -0.02 0.00 0.56 0.00 0.00 36.38 34.40 1ugu s VAL 105 CO 0.32 -0.31 -0.10 -0.75 -0.31 0.00 0.00 175.10 173.95 1ugu s LYS 106 N -4.04 2.91 -0.04 4.82 2.20 0.16 -1.56 119.74 124.20 1ugu s LYS 106 Ca 0.29 -0.62 0.07 0.00 -0.36 0.00 0.00 55.97 55.35 1ugu s LYS 106 Cb 0.07 -2.56 -0.02 0.00 -1.51 0.00 0.00 37.83 33.81 1ugu s LYS 106 CO 0.06 0.51 -0.25 0.08 -0.36 0.00 0.00 175.35 175.39 1ugu s VAL 107 N -0.40 2.00 -0.14 4.02 1.01 0.80 -1.56 120.40 126.12 1ugu s VAL 107 Ca 0.05 -1.07 -0.01 0.00 0.00 0.00 0.00 61.98 60.96 1ugu s VAL 107 Cb -0.12 -1.68 0.04 0.00 0.00 0.00 0.00 36.38 34.62 1ugu s VAL 107 CO 0.02 0.56 -0.06 -2.28 0.00 0.00 0.00 175.10 173.35 1ugu s HIS 108 N -0.40 1.55 -0.12 5.22 2.46 -0.06 -1.16 115.29 122.77 1ugu s HIS 108 Ca 0.04 -0.91 -0.05 0.00 0.47 0.00 0.00 55.06 54.62 1ugu s HIS 108 Cb -0.11 -1.25 -0.04 0.00 -0.13 0.00 0.00 32.58 31.05 1ugu s HIS 108 CO 0.01 -0.56 0.05 -1.64 -2.47 0.00 0.00 174.74 170.13 1ugu s MET 109 N 1.69 3.41 -0.15 2.88 -1.94 0.50 -0.39 119.30 125.28 1ugu s MET 109 Ca 0.02 -0.32 -0.12 0.00 -1.71 0.00 0.00 55.69 53.57 1ugu s MET 109 Cb -0.14 -3.02 0.05 0.00 2.01 0.00 0.00 34.83 33.73 1ugu s MET 109 CO -0.08 0.58 0.40 0.21 -0.01 0.00 0.00 175.02 176.12 1ugu s LYS 110 N -0.51 0.42 0.35 2.03 2.20 -0.41 -0.38 119.74 123.44 1ugu s LYS 110 Ca 0.10 0.64 -0.28 0.00 -0.36 0.00 0.00 55.97 56.07 1ugu s LYS 110 Cb -0.12 0.11 -0.12 0.00 -1.51 0.00 0.00 37.83 36.20 1ugu s LYS 110 CO 0.02 -0.10 1.42 1.17 -0.36 0.00 0.00 175.35 177.50 1ugu n LYS 111 N 3.47 2.44 -2.06 4.03 4.81 -0.19 -0.51 118.16 130.15 1ugu n LYS 111 Ca -0.18 0.86 -0.29 0.00 -0.87 0.00 0.00 58.31 57.83 1ugu n LYS 111 Cb 0.56 -2.53 0.04 0.00 0.02 0.00 0.00 35.03 33.12 1ugu n LYS 111 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ugu s ALA 112 N -0.95 3.05 0.16 3.14 0.00 -0.60 -4.78 121.76 121.77 1ugu s ALA 112 Ca 0.56 -0.45 -0.03 0.00 0.00 0.00 0.00 51.96 52.04 1ugu s ALA 112 Cb -0.52 -2.88 -0.00 0.00 0.00 0.00 0.00 23.12 19.71 1ugu s ALA 112 CO 0.61 -0.99 1.39 -0.07 0.00 0.00 0.00 175.76 176.69 1ugu h LEU 113 N -0.47 0.53-10.29 0.00 3.38 -1.86 -3.46 115.31 103.15 1ugu h LEU 113 Ca -0.45 -0.37 -0.51 0.00 0.09 0.00 0.00 57.88 56.64 1ugu h LEU 113 Cb 1.25 -0.16 0.10 0.00 0.09 0.00 0.00 40.66 41.94 1ugu h LEU 113 CO 0.63 1.13 0.36 -0.94 0.09 0.00 0.00 178.44 179.70 1ugu s SER 114 N -7.01 5.16 0.29 -0.43 1.04 -1.26 -4.99 113.70 106.49 1ugu s SER 114 Ca -0.06 1.77 -0.29 0.00 0.48 0.00 0.00 55.95 57.84 1ugu s SER 114 Cb 0.10 -2.52 -0.10 0.00 0.10 0.00 0.00 66.02 63.60 1ugu s SER 114 CO 0.85 -1.59 1.35 -0.83 0.98 0.00 0.00 173.24 174.00 1ugu s GLY 115 N -3.32 2.71 -1.45 7.32 0.00 -1.26 -3.44 107.32 107.88 1ugu s GLY 115 Ca 0.61 1.26 -0.05 0.00 0.00 0.00 0.00 44.72 46.54 1ugu s GLY 115 CO 0.50 2.05 0.66 1.34 0.00 0.00 0.00 173.10 177.65 1ugu n ASP 116 N 1.56 -1.84 -3.93 1.64 2.03 -1.26 -4.98 116.55 109.76 1ugu n ASP 116 Ca 0.03 -0.91 -0.12 0.00 0.52 0.00 0.00 54.79 54.30 1ugu n ASP 116 Cb 0.41 -3.45 -0.13 0.00 -0.72 0.00 0.00 41.12 37.24 1ugu n ASP 116 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1ugu s SER 117 N -4.01 0.28 -0.03 1.67 1.04 -1.22 -4.06 113.70 107.37 1ugu s SER 117 Ca 0.24 -0.19 -0.00 0.00 0.48 0.00 0.00 55.95 56.48 1ugu s SER 117 Cb -0.12 0.01 0.03 0.00 0.10 0.00 0.00 66.02 66.04 1ugu s SER 117 CO 0.86 -0.07 0.03 -0.31 0.98 0.00 0.00 173.24 174.73 1ugu s TYR 118 N -0.49 0.06 0.18 5.02 1.51 0.60 -1.56 117.35 122.67 1ugu s TYR 118 Ca -0.04 0.15 -0.22 0.00 -1.01 0.00 0.00 57.07 55.95 1ugu s TYR 118 Cb -0.04 -0.31 -0.08 0.00 -0.11 0.00 0.00 41.96 41.42 1ugu s TYR 118 CO -0.00 -0.12 0.73 -1.58 -1.11 0.00 0.00 175.55 173.47 1ugu s TRP 119 N 1.33 3.79 -0.18 2.71 0.52 0.34 -0.27 118.94 127.17 1ugu s TRP 119 Ca -0.06 1.49 0.01 0.00 0.02 0.00 0.00 56.10 57.56 1ugu s TRP 119 Cb -0.13 -2.68 0.03 0.00 -1.15 0.00 0.00 33.47 29.55 1ugu s TRP 119 CO -0.03 0.45 -0.13 0.08 0.02 0.00 0.00 176.95 177.34 1ugu s VAL 120 N -1.31 1.71 -0.02 4.03 1.01 0.44 -1.29 120.40 124.98 1ugu s VAL 120 Ca 0.38 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.47 1ugu s VAL 120 Cb -0.20 -1.70 -0.03 0.00 0.00 0.00 0.00 36.38 34.45 1ugu s VAL 120 CO 0.23 0.30 -0.06 -0.36 0.00 0.00 0.00 175.10 175.21 1ugu s PHE 121 N 1.39 2.92 -0.00 5.22 0.08 0.47 -0.73 117.98 127.33 1ugu s PHE 121 Ca 0.01 -0.01 0.00 0.00 0.12 0.00 0.00 56.93 57.05 1ugu s PHE 121 Cb -0.15 -1.64 0.01 0.00 -0.57 0.00 0.00 43.02 40.66 1ugu s PHE 121 CO -0.10 0.37 0.01 0.08 -0.10 0.00 0.00 175.22 175.48 1ugu s VAL 122 N -0.96 -0.01 0.04 -0.44 1.01 -0.28 -0.89 120.40 118.88 1ugu s VAL 122 Ca 0.16 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.18 1ugu s VAL 122 Cb -0.11 -0.03 -0.03 0.00 0.00 0.00 0.00 36.38 36.22 1ugu s VAL 122 CO 0.06 0.02 -0.04 -1.59 0.00 0.00 0.00 175.10 173.55 1ugu s LYS 123 N 0.19 0.47 0.50 2.72 -2.85 -0.60 -0.58 119.74 119.59 1ugu s LYS 123 Ca -0.02 -0.86 -0.21 0.00 -1.00 0.00 0.00 55.97 53.88 1ugu s LYS 123 Cb -0.02 0.06 -0.06 0.00 -2.06 0.00 0.00 37.83 35.74 1ugu s LYS 123 CO -0.01 -0.05 1.17 1.03 0.10 0.00 0.00 175.35 177.59 1ugu s ARG 124 N -2.37 3.52 0.00 1.78 0.52 -1.26 -0.66 118.95 120.48 1ugu s ARG 124 Ca -0.06 1.76 0.00 0.00 -0.52 0.00 0.00 55.73 56.91 1ugu s ARG 124 Cb -0.04 -2.23 0.00 0.00 0.52 0.00 0.00 34.95 33.20 1ugu s ARG 124 CO -0.04 -0.75 0.31 1.33 0.02 0.00 0.00 175.30 176.18