#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qzj s THR 5 N 0.00 3.82 -0.17 1.69 2.01 -1.26 -4.93 115.64 116.80 2qzj s THR 5 Ca 0.00 1.25 0.01 0.00 0.31 0.00 0.00 61.69 63.25 2qzj s THR 5 Cb 0.00 -3.80 0.02 0.00 0.01 0.00 0.00 72.50 68.73 2qzj s THR 5 CO 0.00 0.04 -0.16 -0.75 -0.69 0.00 0.00 174.62 173.06 2qzj s LYS 6 N 1.82 2.53 -0.00 4.92 2.20 -1.26 -0.87 119.74 129.07 2qzj s LYS 6 Ca 0.61 -0.71 0.07 0.00 -0.36 0.00 0.00 55.97 55.58 2qzj s LYS 6 Cb -0.31 -2.33 -0.03 0.00 -1.51 0.00 0.00 37.83 33.66 2qzj s LYS 6 CO 0.27 -0.25 -0.21 0.42 -0.36 0.00 0.00 175.35 175.22 2qzj s ILE 7 N 1.40 2.55 -0.10 5.43 1.01 -0.30 0.93 121.20 132.11 2qzj s ILE 7 Ca 0.04 -1.07 -0.03 0.00 0.00 0.00 0.00 60.65 59.59 2qzj s ILE 7 Cb -0.13 -1.99 -0.03 0.00 0.01 0.00 0.00 42.46 40.31 2qzj s ILE 7 CO -0.11 0.48 0.02 -0.22 0.00 0.00 0.00 174.94 175.10 2qzj s LEU 8 N -0.98 3.65 -0.29 2.97 2.96 -0.71 -1.95 118.68 124.33 2qzj s LEU 8 Ca 0.12 0.16 0.02 0.00 -0.22 0.00 0.00 54.13 54.21 2qzj s LEU 8 Cb -0.10 -1.85 0.07 0.00 0.50 0.00 0.00 46.19 44.81 2qzj s LEU 8 CO 0.02 0.36 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.74 2qzj s ILE 9 N -0.76 2.39 -0.40 6.68 1.01 -0.03 -1.11 121.20 128.99 2qzj s ILE 9 Ca 0.12 -1.79 -0.15 0.00 0.00 0.00 0.00 60.65 58.83 2qzj s ILE 9 Cb -0.12 -2.50 0.01 0.00 0.01 0.00 0.00 42.46 39.86 2qzj s ILE 9 CO 0.02 -0.21 0.33 -0.63 0.00 0.00 0.00 174.94 174.45 2qzj s ILE 10 N 1.08 5.21 -0.29 2.92 1.01 0.05 -1.94 121.20 129.24 2qzj s ILE 10 Ca -0.03 -0.44 -0.17 0.00 0.00 0.00 0.00 60.65 60.02 2qzj s ILE 10 Cb -0.20 -3.92 0.13 0.00 0.01 0.00 0.00 42.46 38.49 2qzj s ILE 10 CO -0.05 -0.27 0.94 -0.62 0.00 0.00 0.00 174.94 174.93 2qzj s ASP 11 N 1.73 -0.57 0.44 3.58 3.68 -0.52 -2.30 116.67 122.71 2qzj s ASP 11 Ca 0.08 0.92 0.19 0.00 2.13 0.00 0.00 52.55 55.87 2qzj s ASP 11 Cb -0.18 1.21 1.04 0.00 -1.45 0.00 0.00 42.92 43.54 2qzj s ASP 11 CO 0.11 -0.15 1.95 1.23 0.13 0.00 0.00 175.17 178.44 2qzj h GLY 12 N 6.05 0.00 -6.75 2.66 0.00 -1.82 -3.41 103.07 99.79 2qzj h GLY 12 Ca -0.28 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.48 2qzj h GLY 12 CO 0.18 0.00 1.06 -0.35 0.00 0.00 0.00 176.54 177.43 2qzj s ASP 13 N -6.65 6.36 0.26 0.19 -1.08 -1.26 -4.88 116.67 109.61 2qzj s ASP 13 Ca -0.03 0.81 0.12 0.00 -0.52 0.00 0.00 52.55 52.93 2qzj s ASP 13 Cb 0.14 -2.54 0.23 0.00 -1.46 0.00 0.00 42.92 39.29 2qzj s ASP 13 CO 0.67 -1.42 1.52 0.11 0.52 0.00 0.00 175.17 176.57 2qzj h LYS 14 N 10.58 0.00 0.06 4.34 1.57 -1.98 -0.16 116.57 130.97 2qzj h LYS 14 Ca -0.27 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.51 2qzj h LYS 14 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.41 2qzj h LYS 14 CO 1.09 0.64 -0.03 -0.44 -0.57 0.00 0.00 179.45 180.14 2qzj h ASP 15 N 0.00 -0.07 -0.45 0.86 3.32 -1.97 0.17 116.42 118.28 2qzj h ASP 15 Ca -0.01 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 56.96 2qzj h ASP 15 Cb 1.28 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.82 2qzj h ASP 15 CO 0.08 0.03 0.24 -1.13 -1.72 0.00 0.00 179.24 176.74 2qzj h ASN 16 N -0.16 0.57 -0.64 6.45 -0.73 -1.95 0.10 115.58 119.21 2qzj h ASN 16 Ca -0.01 -0.10 0.07 0.00 1.87 0.00 0.00 56.30 58.13 2qzj h ASN 16 Cb 0.14 -0.15 -0.06 0.00 0.27 0.00 0.00 38.32 38.52 2qzj h ASN 16 CO 0.01 0.51 0.33 0.00 -0.37 0.00 0.00 177.43 177.92 2qzj h GLN 18 N 0.61 0.33 -0.36 0.00 5.75 -0.33 -2.01 115.11 119.09 2qzj h GLN 18 Ca 0.30 -0.20 0.07 0.00 -0.15 0.00 0.00 58.65 58.67 2qzj h GLN 18 Cb 0.24 0.02 -0.07 0.00 1.07 0.00 0.00 27.48 28.74 2qzj h GLN 18 CO -0.21 0.79 -0.11 -0.22 -2.65 0.00 0.00 178.83 176.43 2qzj h LYS 19 N -0.10 -0.03 -0.39 1.69 3.64 -0.51 -0.28 116.57 120.59 2qzj h LYS 19 Ca 0.01 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.34 2qzj h LYS 19 Cb 0.77 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.58 2qzj h LYS 19 CO 0.04 -0.02 0.07 1.25 -2.27 0.00 0.00 179.45 178.52 2qzj h LEU 20 N -0.03 0.62 -1.00 5.20 6.46 -1.26 -2.18 115.31 123.11 2qzj h LEU 20 Ca 0.18 -0.26 0.06 0.00 -0.12 0.00 0.00 57.88 57.74 2qzj h LEU 20 Cb 0.29 -0.16 -0.07 0.00 -0.73 0.00 0.00 40.66 39.99 2qzj h LEU 20 CO -0.39 0.72 0.65 0.50 -0.62 0.00 0.00 178.44 179.30 2qzj h LYS 21 N 0.49 1.14 -0.21 1.25 3.64 -0.92 0.47 116.57 122.44 2qzj h LYS 21 Ca 0.12 -0.07 -0.06 0.00 -1.27 0.00 0.00 60.65 59.37 2qzj h LYS 21 Cb 0.36 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 2qzj h LYS 21 CO 0.01 0.76 -0.10 0.78 -2.27 0.00 0.00 179.45 178.63 2qzj h GLY 22 N 1.18 0.48 0.98 5.01 0.00 -0.91 -0.53 103.07 109.28 2qzj h GLY 22 Ca 0.43 -0.43 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 2qzj h GLY 22 CO -0.17 0.39 -0.24 -2.75 0.00 0.00 0.00 176.54 173.77 2qzj h PHE 23 N 0.15 -0.61 0.00 5.60 3.57 -0.93 -2.88 116.94 121.84 2qzj h PHE 23 Ca 0.05 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.53 2qzj h PHE 23 Cb 0.58 0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.53 2qzj h PHE 23 CO 0.06 -0.37 0.00 -0.07 -2.23 0.00 0.00 178.31 175.71 2qzj h LEU 24 N -0.69 0.00 -0.18 0.59 3.38 -0.98 -3.06 115.31 114.38 2qzj h LEU 24 Ca -0.07 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.68 2qzj h LEU 24 Cb 0.52 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.28 2qzj h LEU 24 CO 0.11 0.00 -0.87 -0.08 0.09 0.00 0.00 178.44 177.70 2qzj h GLU 25 N 0.00 0.62 0.00 1.13 4.81 -0.96 -2.56 114.58 117.62 2qzj h GLU 25 Ca 0.00 -0.57 0.00 0.00 -0.13 0.00 0.00 59.36 58.66 2qzj h GLU 25 Cb 0.55 0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.07 2qzj h GLU 25 CO 0.00 1.19 0.00 -0.85 -0.73 0.00 0.00 179.01 178.62 2qzj n GLU 26 N -3.86 0.19 -0.07 1.92 -0.00 -1.10 -0.37 120.64 117.35 2qzj n GLU 26 Ca -0.07 0.14 0.12 0.00 -0.00 0.00 0.00 57.16 57.34 2qzj n GLU 26 Cb 0.79 -1.50 0.34 0.00 -0.00 0.00 0.00 31.44 31.07 2qzj n GLU 26 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2qzj n LYS 27 N -1.34 1.93 -1.00 3.44 4.76 -1.09 -4.91 118.16 119.95 2qzj n LYS 27 Ca 0.07 -1.39 0.00 0.00 -2.87 0.00 0.00 58.31 54.12 2qzj n LYS 27 Cb 0.16 -1.44 0.00 0.00 -1.84 0.00 0.00 35.03 31.91 2qzj n LYS 27 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2qzj n GLY 28 N 1.24 0.68 3.82 0.72 0.00 0.50 -5.07 105.19 107.08 2qzj n GLY 28 Ca 0.17 -0.72 -0.36 0.00 0.00 0.00 0.00 46.02 45.11 2qzj n GLY 28 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qzj s ILE 29 N -2.00 5.29 -0.21 -0.61 1.01 -0.98 -4.61 121.20 119.09 2qzj s ILE 29 Ca 0.00 0.13 -0.22 0.00 0.00 0.00 0.00 60.65 60.56 2qzj s ILE 29 Cb 0.00 -3.31 -0.02 0.00 0.01 0.00 0.00 42.46 39.14 2qzj s ILE 29 CO 0.00 0.59 0.72 -0.55 0.00 0.00 0.00 174.94 175.69 2qzj s SER 30 N -0.75 6.76 -0.05 3.58 0.15 -0.05 -4.24 113.70 119.10 2qzj s SER 30 Ca 0.13 0.93 0.05 0.00 0.70 0.00 0.00 55.95 57.76 2qzj s SER 30 Cb -0.12 -2.39 -0.02 0.00 -1.71 0.00 0.00 66.02 61.78 2qzj s SER 30 CO 0.03 -0.36 -0.20 -0.63 1.20 0.00 0.00 173.24 173.28 2qzj s ILE 31 N 2.24 2.58 0.05 6.45 1.01 -1.26 -1.15 121.20 131.11 2qzj s ILE 31 Ca 0.32 -0.90 0.09 0.00 0.00 0.00 0.00 60.65 60.16 2qzj s ILE 31 Cb -0.16 -1.97 -0.03 0.00 0.01 0.00 0.00 42.46 40.31 2qzj s ILE 31 CO 0.10 0.58 -0.26 -1.81 0.00 0.00 0.00 174.94 173.55 2qzj s ASP 32 N -0.51 3.21 0.17 3.58 1.01 -0.82 -5.00 116.67 118.30 2qzj s ASP 32 Ca 0.07 -0.59 0.09 0.00 0.71 0.00 0.00 52.55 52.82 2qzj s ASP 32 Cb -0.11 -0.30 -0.04 0.00 1.01 0.00 0.00 42.92 43.48 2qzj s ASP 32 CO 0.01 0.25 -0.11 -0.76 0.21 0.00 0.00 175.17 174.77 2qzj s LEU 33 N -1.30 2.92 -0.07 1.23 1.43 -1.26 -0.85 118.68 120.77 2qzj s LEU 33 Ca 0.12 -0.59 -0.03 0.00 -1.03 0.00 0.00 54.13 52.60 2qzj s LEU 33 Cb -0.10 -1.62 0.04 0.00 0.03 0.00 0.00 46.19 44.54 2qzj s LEU 33 CO 0.02 0.12 0.16 0.00 0.23 0.00 0.00 176.35 176.88 2qzj s ALA 34 N -1.62 -0.30 -1.60 4.21 0.00 -0.82 -4.89 121.76 116.74 2qzj s ALA 34 Ca 0.24 0.72 0.24 0.00 0.00 0.00 0.00 51.96 53.15 2qzj s ALA 34 Cb -0.09 -0.53 0.23 0.00 0.00 0.00 0.00 23.12 22.73 2qzj s ALA 34 CO 0.14 -0.22 1.23 0.66 0.00 0.00 0.00 175.76 177.58 2qzj n TYR 35 N 4.36 0.00 -3.84 0.00 0.53 -1.26 -1.44 117.16 115.50 2qzj n TYR 35 Ca -0.24 0.00 -0.08 0.00 -1.02 0.00 0.00 57.90 56.57 2qzj n TYR 35 Cb 0.52 -0.07 -0.00 0.00 -1.03 0.00 0.00 39.34 38.75 2qzj n TYR 35 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38 2qzj s ASN 36 N -2.67 -0.16 0.20 7.72 2.20 -1.26 -3.65 114.94 117.32 2qzj s ASN 36 Ca 0.17 -0.82 -0.14 0.00 -0.94 0.00 0.00 52.86 51.13 2qzj s ASN 36 Cb 0.18 0.77 0.20 0.00 -2.00 0.00 0.00 41.25 40.41 2qzj s ASN 36 CO 0.64 -1.48 1.64 0.00 -2.94 0.00 0.00 177.10 174.96 2qzj h GLU 38 N 0.01 -0.63 -0.64 0.00 4.81 -1.97 -0.50 114.58 115.67 2qzj h GLU 38 Ca 0.27 0.04 0.11 0.00 -0.13 0.00 0.00 59.36 59.66 2qzj h GLU 38 Cb 0.42 0.14 -0.08 0.00 0.63 0.00 0.00 28.75 29.86 2qzj h GLU 38 CO -0.57 -0.40 0.22 0.93 -0.73 0.00 0.00 179.01 178.45 2qzj h GLU 39 N -0.68 0.37 0.31 1.92 5.08 -1.90 -1.56 114.58 118.11 2qzj h GLU 39 Ca -0.07 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2qzj h GLU 39 Cb 0.51 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 2qzj h GLU 39 CO 0.11 0.24 -0.25 0.00 -1.00 0.00 0.00 179.01 178.11 2qzj h ALA 40 N 1.46 -0.56 -0.21 3.43 0.00 -0.99 -1.96 119.26 120.43 2qzj h ALA 40 Ca 0.33 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.21 2qzj h ALA 40 Cb 0.46 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 2qzj h ALA 40 CO -0.35 -0.84 0.20 0.82 0.00 0.00 0.00 179.25 179.08 2qzj h ILE 41 N -0.57 0.57 -0.11 0.00 2.04 -0.66 -1.18 117.51 117.60 2qzj h ILE 41 Ca -0.02 0.00 -0.20 0.00 1.00 0.00 0.00 64.86 65.64 2qzj h ILE 41 Cb 0.51 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 37.43 2qzj h ILE 41 CO -0.02 0.00 -0.75 1.23 0.00 0.00 0.00 178.15 178.61 2qzj h GLY 42 N 0.00 0.62 1.51 5.37 0.00 -0.55 -3.26 103.07 106.77 2qzj h GLY 42 Ca 0.10 -0.88 0.00 0.00 0.00 0.00 0.00 47.33 46.55 2qzj h GLY 42 CO -0.00 0.79 -0.49 0.50 0.00 0.00 0.00 176.54 177.34 2qzj h LYS 43 N 0.38 0.00 0.00 4.80 1.57 -0.81 -2.74 116.57 119.78 2qzj h LYS 43 Ca -0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2qzj h LYS 43 Cb 1.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.66 2qzj h LYS 43 CO 0.14 0.00 0.00 -0.89 -0.57 0.00 0.00 179.45 178.13 2qzj n ILE 44 N -2.87 0.44 -0.11 1.86 2.08 -0.55 -1.07 119.36 119.14 2qzj n ILE 44 Ca 0.02 0.11 -0.19 0.00 0.56 0.00 0.00 62.75 63.25 2qzj n ILE 44 Cb 0.54 -0.82 -0.09 0.00 -0.75 0.00 0.00 39.64 38.52 2qzj n ILE 44 CO 0.00 0.00 0.00 0.49 0.56 0.00 0.00 176.55 177.60 2qzj n PHE 45 N -1.27 0.00 0.22 1.39 0.99 -1.15 -4.53 117.46 113.11 2qzj n PHE 45 Ca 0.09 0.00 0.08 0.00 -0.00 0.00 0.00 57.45 57.62 2qzj n PHE 45 Cb 0.14 -0.81 0.51 0.00 -1.00 0.00 0.00 39.48 38.32 2qzj n PHE 45 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.76 177.53 2qzj h SER 46 N -0.35 0.00 -5.44 4.37 0.02 -1.16 -3.46 113.55 107.53 2qzj h SER 46 Ca -0.52 0.00 -0.43 0.00 -0.84 0.00 0.00 61.79 60.00 2qzj h SER 46 Cb 1.63 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 64.04 2qzj h SER 46 CO -0.19 0.25 -0.52 0.20 -1.14 0.00 0.00 176.83 175.42 2qzj s ASN 47 N -6.42 1.48 -0.26 3.07 0.01 -0.23 -5.08 114.94 107.52 2qzj s ASN 47 Ca -0.02 -1.66 -0.01 0.00 -0.71 0.00 0.00 52.86 50.47 2qzj s ASN 47 Cb 0.13 0.50 0.08 0.00 0.41 0.00 0.00 41.25 42.36 2qzj s ASN 47 CO 0.65 -0.99 0.04 -0.54 -1.51 0.00 0.00 177.10 174.75 2qzj s LYS 48 N -3.65 0.94 0.38 -0.60 1.02 -1.26 -4.66 119.74 111.91 2qzj s LYS 48 Ca 0.38 -0.88 -0.03 0.00 0.02 0.00 0.00 55.97 55.47 2qzj s LYS 48 Cb 0.04 -2.22 -0.04 0.00 -0.52 0.00 0.00 37.83 35.09 2qzj s LYS 48 CO 0.22 -0.78 0.63 0.71 -0.92 0.00 0.00 175.35 175.21 2qzj s TYR 49 N 1.61 3.52 -0.05 3.18 1.51 -1.26 -4.83 117.35 121.02 2qzj s TYR 49 Ca 0.03 0.58 0.06 0.00 -1.01 0.00 0.00 57.07 56.73 2qzj s TYR 49 Cb -0.18 -2.08 -0.24 0.00 -0.11 0.00 0.00 41.96 39.35 2qzj s TYR 49 CO -0.14 -0.00 0.62 -0.44 -1.11 0.00 0.00 175.55 174.47 2qzj h ASP 50 N 0.77 0.13 -4.60 2.29 3.32 0.16 -3.47 116.42 115.03 2qzj h ASP 50 Ca -0.48 -0.28 -0.13 0.00 0.02 0.00 0.00 57.03 56.15 2qzj h ASP 50 Cb 1.21 -0.04 -0.22 0.00 0.22 0.00 0.00 39.33 40.50 2qzj h ASP 50 CO 0.62 1.25 -0.35 -0.22 -1.72 0.00 0.00 179.24 178.83 2qzj s LEU 51 N -6.42 1.00 -0.12 1.55 2.96 -1.25 -4.01 118.68 112.40 2qzj s LEU 51 Ca -0.09 0.19 -0.00 0.00 -0.22 0.00 0.00 54.13 54.01 2qzj s LEU 51 Cb 0.08 1.06 0.02 0.00 0.50 0.00 0.00 46.19 47.85 2qzj s LEU 51 CO 0.81 -0.32 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.81 2qzj s ILE 52 N -0.84 1.10 -0.17 6.68 1.01 0.80 -1.75 121.20 128.03 2qzj s ILE 52 Ca -0.09 -0.33 -0.17 0.00 0.00 0.00 0.00 60.65 60.05 2qzj s ILE 52 Cb -0.05 -1.10 -0.04 0.00 0.01 0.00 0.00 42.46 41.28 2qzj s ILE 52 CO 0.02 0.38 0.44 -0.36 0.00 0.00 0.00 174.94 175.42 2qzj s PHE 53 N 1.66 3.42 -0.02 3.97 0.40 -0.27 -0.43 117.98 126.72 2qzj s PHE 53 Ca 0.05 0.72 0.06 0.00 -0.60 0.00 0.00 56.93 57.16 2qzj s PHE 53 Cb -0.13 -2.55 -0.02 0.00 0.51 0.00 0.00 43.02 40.84 2qzj s PHE 53 CO -0.08 0.04 -0.20 -1.17 0.70 0.00 0.00 175.22 174.51 2qzj s LEU 54 N 1.11 2.04 0.34 -0.37 2.96 -0.19 -0.77 118.68 123.80 2qzj s LEU 54 Ca 0.22 -0.36 0.04 0.00 -0.22 0.00 0.00 54.13 53.80 2qzj s LEU 54 Cb -0.15 -1.04 -0.02 0.00 0.50 0.00 0.00 46.19 45.49 2qzj s LEU 54 CO 0.09 0.25 0.50 -0.70 -1.32 0.00 0.00 176.35 175.16 2qzj s GLU 55 N -0.46 3.23 -0.18 1.98 2.56 -0.97 -4.12 118.70 120.75 2qzj s GLU 55 Ca 0.07 -0.73 -0.20 0.00 0.00 0.00 0.00 54.97 54.11 2qzj s GLU 55 Cb -0.08 -2.75 -0.22 0.00 2.00 0.00 0.00 34.13 33.08 2qzj s GLU 55 CO -0.01 0.08 0.35 0.82 -0.56 0.00 0.00 175.26 175.95 2qzj h ILE 56 N 0.82 1.02 -3.43 -3.70 2.04 -1.94 -3.34 117.51 108.98 2qzj h ILE 56 Ca -0.48 -2.25 -0.59 0.00 1.00 0.00 0.00 64.86 62.54 2qzj h ILE 56 Cb 1.24 2.48 -0.10 0.00 -0.74 0.00 0.00 36.82 39.70 2qzj h ILE 56 CO 0.57 0.46 0.02 -0.63 0.00 0.00 0.00 178.15 178.57 2qzj s ILE 57 N -2.38 5.08 0.04 -0.67 1.09 -1.26 0.31 121.20 123.41 2qzj s ILE 57 Ca -0.26 1.06 0.02 0.00 -1.10 0.00 0.00 60.65 60.37 2qzj s ILE 57 Cb 0.05 -3.89 -0.03 0.00 -1.06 0.00 0.00 42.46 37.53 2qzj s ILE 57 CO 0.65 0.17 -0.06 -0.76 -0.10 0.00 0.00 174.94 174.83 2qzj s LEU 58 N 1.63 2.29 0.17 2.97 1.43 -1.00 -4.65 118.68 121.52 2qzj s LEU 58 Ca 0.26 -0.61 0.20 0.00 -1.03 0.00 0.00 54.13 52.95 2qzj s LEU 58 Cb -0.16 -0.08 0.83 0.00 0.03 0.00 0.00 46.19 46.82 2qzj s LEU 58 CO 0.10 -0.27 1.60 -1.54 0.23 0.00 0.00 176.35 176.47 2qzj n SER 59 N 1.25 0.41 -0.01 2.29 3.41 -1.26 -2.68 113.62 117.04 2qzj n SER 59 Ca -0.21 0.61 0.05 0.00 -0.26 0.00 0.00 58.87 59.06 2qzj n SER 59 Cb 0.56 -0.69 -0.13 0.00 -0.26 0.00 0.00 64.21 63.68 2qzj n SER 59 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2qzj n ASP 60 N -1.96 0.25 0.00 4.04 4.64 -1.26 -5.04 116.55 117.22 2qzj n ASP 60 Ca 0.02 0.10 0.00 0.00 -1.38 0.00 0.00 54.79 53.54 2qzj n ASP 60 Cb 0.19 1.30 0.00 0.00 -1.04 0.00 0.00 41.12 41.57 2qzj n ASP 60 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2qzj n GLY 61 N 1.37 -1.04 3.90 0.27 0.00 -1.09 -4.84 105.19 103.76 2qzj n GLY 61 Ca -0.10 -1.29 -0.32 0.00 0.00 0.00 0.00 46.02 44.30 2qzj n GLY 61 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2qzj s ASP 62 N -4.00 6.43 0.48 1.61 -4.77 -1.26 -2.37 116.67 112.79 2qzj s ASP 62 Ca 0.00 0.43 0.18 0.00 -3.30 0.00 0.00 52.55 49.87 2qzj s ASP 62 Cb 0.00 -2.03 1.18 0.00 -1.09 0.00 0.00 42.92 40.98 2qzj s ASP 62 CO 0.00 0.16 2.04 1.23 0.70 0.00 0.00 175.17 179.30 2qzj h GLY 63 N 3.27 0.00 1.71 2.12 0.00 -0.27 -2.37 103.07 107.53 2qzj h GLY 63 Ca -0.47 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.85 2qzj h GLY 63 CO 0.72 0.00 0.14 1.49 0.00 0.00 0.00 176.54 178.89 2qzj h TRP 64 N 0.00 0.37 0.17 5.60 6.55 -1.86 0.04 115.95 126.83 2qzj h TRP 64 Ca -0.00 -0.00 -0.29 0.00 0.95 0.00 0.00 58.89 59.55 2qzj h TRP 64 Cb 0.27 -0.12 0.02 0.00 -0.86 0.00 0.00 29.16 28.47 2qzj h TRP 64 CO 0.00 0.28 -1.37 1.15 -1.05 0.00 0.00 178.44 177.44 2qzj h THR 65 N 0.39 1.18 0.00 1.49 2.02 -1.84 -3.10 112.91 113.05 2qzj h THR 65 Ca 0.10 -2.53 0.00 0.00 0.77 0.00 0.00 66.41 64.75 2qzj h THR 65 Cb 0.04 2.92 0.00 0.00 -1.74 0.00 0.00 68.15 69.37 2qzj h THR 65 CO -0.02 0.77 0.00 0.25 0.37 0.00 0.00 175.52 176.90 2qzj h LEU 66 N -0.11 0.00 0.00 2.58 5.85 -1.08 0.59 115.31 123.14 2qzj h LEU 66 Ca -0.27 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.45 2qzj h LEU 66 Cb 1.92 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.95 2qzj h LEU 66 CO 0.16 0.00 -0.00 0.00 -0.34 0.00 0.00 178.44 178.26 2qzj h LYS 68 N -0.99 0.78 0.60 0.00 1.57 -1.33 0.87 116.57 118.08 2qzj h LYS 68 Ca -0.00 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 2qzj h LYS 68 Cb 0.71 -0.18 0.01 0.00 0.08 0.00 0.00 32.23 32.85 2qzj h LYS 68 CO 0.00 0.52 -0.29 -0.22 -0.57 0.00 0.00 179.45 178.89 2qzj h LYS 69 N 0.80 -0.78 -0.92 3.15 3.64 -0.98 -3.10 116.57 118.38 2qzj h LYS 69 Ca 0.37 0.05 0.17 0.00 -1.27 0.00 0.00 60.65 59.98 2qzj h LYS 69 Cb 0.37 0.18 -0.08 0.00 -0.41 0.00 0.00 32.23 32.29 2qzj h LYS 69 CO -0.14 -0.47 0.59 0.82 -2.27 0.00 0.00 179.45 177.98 2qzj h ILE 70 N -1.11 0.75 0.00 2.00 2.04 -0.87 0.13 117.51 120.46 2qzj h ILE 70 Ca -0.08 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.57 2qzj h ILE 70 Cb 0.67 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.83 2qzj h ILE 70 CO 0.14 0.11 0.00 0.54 0.00 0.00 0.00 178.15 178.94 2qzj n ARG 71 N -4.59 0.21 0.00 2.37 5.12 0.26 -0.42 116.66 119.61 2qzj n ARG 71 Ca 0.19 0.00 -0.03 0.00 -1.93 0.00 0.00 57.85 56.08 2qzj n ARG 71 Cb 0.57 -1.49 -0.11 0.00 -1.16 0.00 0.00 32.46 30.28 2qzj n ARG 71 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2qzj n ASN 72 N -0.99 0.77 0.00 0.55 5.03 0.47 -4.64 115.26 116.45 2qzj n ASN 72 Ca 0.05 0.35 0.00 0.00 0.87 0.00 0.00 54.58 55.84 2qzj n ASN 72 Cb 0.02 0.22 0.00 0.00 -1.02 0.00 0.00 39.78 39.00 2qzj n ASN 72 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 2qzj n VAL 73 N -2.90 0.00 -3.50 2.41 0.31 0.44 -5.04 118.33 110.04 2qzj n VAL 73 Ca -0.14 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 63.99 2qzj n VAL 73 Cb 0.92 -0.53 -0.01 0.00 -0.91 0.00 0.00 33.84 33.32 2qzj n VAL 73 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2qzj s THR 74 N 0.00 4.45 -0.99 2.52 -1.32 -0.88 -4.99 115.64 114.42 2qzj s THR 74 Ca 0.00 -0.86 0.11 0.00 -1.21 0.00 0.00 61.69 59.73 2qzj s THR 74 Cb 0.00 -3.57 0.30 0.00 -1.51 0.00 0.00 72.50 67.72 2qzj s THR 74 CO 0.00 -0.26 1.23 0.35 -2.21 0.00 0.00 174.62 173.73 2qzj n THR 75 N -1.67 0.92 -1.55 5.08 -2.24 -1.26 -4.12 114.28 109.44 2qzj n THR 75 Ca -0.02 -0.96 -0.51 0.00 -2.27 0.00 0.00 64.05 60.28 2qzj n THR 75 Cb 0.58 0.56 -0.05 0.00 -2.10 0.00 0.00 70.33 69.31 2qzj n THR 75 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qzj n PRO 77 N 1.73 1.69 -4.20 0.00 -0.02 -1.26 -4.80 135.00 128.14 2qzj n PRO 77 Ca 0.17 0.62 -0.34 0.00 -2.02 0.00 0.00 63.50 61.92 2qzj n PRO 77 Cb 0.21 -2.36 -0.14 0.00 -0.02 0.00 0.00 33.50 31.18 2qzj n PRO 77 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2qzj s ILE 78 N 2.76 3.05 -0.15 4.25 1.01 -1.26 -0.14 121.20 130.72 2qzj s ILE 78 Ca 0.91 -0.62 0.02 0.00 0.00 0.00 0.00 60.65 60.96 2qzj s ILE 78 Cb -0.85 -2.34 0.01 0.00 0.01 0.00 0.00 42.46 39.29 2qzj s ILE 78 CO 0.53 0.47 -0.20 -0.69 0.00 0.00 0.00 174.94 175.05 2qzj s VAL 79 N 1.11 2.19 0.00 2.92 1.01 0.43 0.51 120.40 128.56 2qzj s VAL 79 Ca 0.01 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.05 2qzj s VAL 79 Cb -0.14 -1.89 0.00 0.00 0.00 0.00 0.00 36.38 34.35 2qzj s VAL 79 CO -0.02 0.54 0.00 -1.22 0.00 0.00 0.00 175.10 174.40 2qzj n TYR 80 N 4.11 -2.36 0.00 5.22 4.02 -0.36 -1.03 117.16 126.76 2qzj n TYR 80 Ca -0.20 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.69 2qzj n TYR 80 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.83 2qzj n TYR 80 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 176.86 173.48 2qzj n THR 82 N -1.30 0.00 0.13 -0.72 5.66 -0.84 0.07 114.28 117.29 2qzj n THR 82 Ca 0.00 0.00 0.01 0.00 -3.05 0.00 0.00 64.05 61.01 2qzj n THR 82 Cb 0.00 0.00 0.04 0.00 -1.55 0.00 0.00 70.33 68.82 2qzj n THR 82 CO 0.00 0.00 0.00 1.88 -3.05 0.00 0.00 175.07 173.90 2qzj h TYR 83 N 0.00 0.00 -1.87 1.09 -1.99 -1.87 -0.93 116.97 111.39 2qzj h TYR 83 Ca 0.00 0.00 -0.60 0.00 2.00 0.00 0.00 58.73 60.13 2qzj h TYR 83 Cb 0.00 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.73 2qzj h TYR 83 CO 0.00 0.57 1.37 -0.89 -0.00 0.00 0.00 178.16 179.21 2qzj n ILE 84 N -3.28 0.43 -1.91 -2.88 5.41 -1.26 -4.78 119.36 111.09 2qzj n ILE 84 Ca 0.01 -0.31 -0.27 0.00 1.00 0.00 0.00 62.75 63.18 2qzj n ILE 84 Cb 0.74 -2.23 0.03 0.00 -0.71 0.00 0.00 39.64 37.48 2qzj n ILE 84 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 2qzj n ASN 85 N 9.78 5.61 -4.80 4.38 4.05 -1.26 -4.94 115.26 128.08 2qzj n ASN 85 Ca 0.29 -3.76 -0.37 0.00 0.45 0.00 0.00 54.58 51.19 2qzj n ASN 85 Cb 0.37 -0.52 -0.06 0.00 1.23 0.00 0.00 39.78 40.80 2qzj n ASN 85 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 2qzj s GLU 86 N -3.66 3.92 0.18 1.20 8.01 -1.26 -5.01 118.70 122.08 2qzj s GLU 86 Ca 0.54 0.12 -0.19 0.00 0.01 0.00 0.00 54.97 55.45 2qzj s GLU 86 Cb 0.43 -3.29 0.12 0.00 -4.31 0.00 0.00 34.13 27.08 2qzj s GLU 86 CO -0.01 0.54 1.62 -0.44 0.01 0.00 0.00 175.26 176.98 2qzj h ASP 87 N 5.58 -0.81 -0.77 -0.19 3.32 -2.00 -0.75 116.42 120.80 2qzj h ASP 87 Ca -0.48 0.18 0.13 0.00 0.02 0.00 0.00 57.03 56.88 2qzj h ASP 87 Cb 1.20 0.43 -0.05 0.00 0.22 0.00 0.00 39.33 41.13 2qzj h ASP 87 CO 0.66 -0.26 0.51 1.56 -1.72 0.00 0.00 179.24 179.99 2qzj h GLN 88 N -0.13 0.50 -0.35 3.56 1.08 -1.99 -0.18 115.11 117.60 2qzj h GLN 88 Ca 0.22 -0.03 -0.04 0.00 -1.45 0.00 0.00 58.65 57.35 2qzj h GLN 88 Cb 0.48 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.78 2qzj h GLN 88 CO -0.56 0.33 0.05 1.03 -0.95 0.00 0.00 178.83 178.73 2qzj h SER 89 N 0.51 0.56 -0.46 1.46 0.87 -1.55 0.61 113.55 115.55 2qzj h SER 89 Ca 0.37 -0.26 -0.03 0.00 -1.23 0.00 0.00 61.79 60.64 2qzj h SER 89 Cb 0.73 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.52 2qzj h SER 89 CO -0.13 0.69 0.19 0.40 -0.53 0.00 0.00 176.83 177.44 2qzj h ILE 90 N 0.42 1.20 -0.32 2.23 2.04 -0.80 0.87 117.51 123.15 2qzj h ILE 90 Ca 0.11 -0.62 0.00 0.00 1.00 0.00 0.00 64.86 65.35 2qzj h ILE 90 Cb 0.37 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 2qzj h ILE 90 CO 0.01 0.23 0.20 -0.07 0.00 0.00 0.00 178.15 178.52 2qzj h LEU 91 N 0.61 0.37 -0.38 1.44 3.38 -0.94 0.16 115.31 119.95 2qzj h LEU 91 Ca 0.16 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.12 2qzj h LEU 91 Cb 0.18 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 2qzj h LEU 91 CO -0.01 0.28 0.22 0.78 0.09 0.00 0.00 178.44 179.80 2qzj h ASN 92 N 0.42 0.36 0.07 -0.43 4.21 -0.56 0.54 115.58 120.19 2qzj h ASN 92 Ca 0.12 0.00 0.01 0.00 1.21 0.00 0.00 56.30 57.63 2qzj h ASN 92 Cb -0.03 -0.07 -0.01 0.00 -1.12 0.00 0.00 38.32 37.09 2qzj h ASN 92 CO -0.02 0.26 -0.09 0.00 -1.29 0.00 0.00 177.43 176.29 2qzj h ALA 93 N 1.17 -0.15 -0.61 -0.83 0.00 -0.49 -2.27 119.26 116.08 2qzj h ALA 93 Ca 0.15 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 2qzj h ALA 93 Cb 0.01 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2qzj h ALA 93 CO -0.07 -0.60 0.16 -0.07 0.00 0.00 0.00 179.25 178.67 2qzj h LEU 94 N -0.19 0.91 0.00 0.00 3.38 -0.82 -1.52 115.31 117.07 2qzj h LEU 94 Ca 0.01 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.75 2qzj h LEU 94 Cb 0.19 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.70 2qzj h LEU 94 CO -0.04 0.90 0.00 0.59 0.09 0.00 0.00 178.44 179.98 2qzj n ASN 95 N -4.36 0.00 -1.05 -0.43 3.02 0.17 -2.07 115.26 110.53 2qzj n ASN 95 Ca 0.03 -0.30 0.11 0.00 -0.03 0.00 0.00 54.58 54.39 2qzj n ASN 95 Cb 0.23 -0.14 0.19 0.00 -0.61 0.00 0.00 39.78 39.45 2qzj n ASN 95 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2qzj n SER 96 N -1.14 3.30 0.00 6.41 7.64 -0.87 -4.89 113.62 124.07 2qzj n SER 96 Ca 0.12 -1.95 0.00 0.00 1.01 0.00 0.00 58.87 58.05 2qzj n SER 96 Cb 0.11 -0.22 0.00 0.00 -1.01 0.00 0.00 64.21 63.09 2qzj n SER 96 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qzj n GLY 97 N 1.35 0.81 3.75 0.23 0.00 -0.88 -3.56 105.19 106.90 2qzj n GLY 97 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 2qzj n GLY 97 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qzj s GLY 98 N -0.82 2.69 -0.14 -0.02 0.00 -0.61 -4.63 107.32 103.79 2qzj s GLY 98 Ca 0.00 0.97 0.10 0.00 0.00 0.00 0.00 44.72 45.80 2qzj s GLY 98 CO 0.00 1.36 0.01 1.22 0.00 0.00 0.00 173.10 175.69 2qzj n ASP 99 N -1.68 1.79 -3.80 1.64 8.00 0.18 -4.57 116.55 118.12 2qzj n ASP 99 Ca 0.13 -0.02 -0.09 0.00 0.71 0.00 0.00 54.79 55.52 2qzj n ASP 99 Cb 0.50 0.62 -0.04 0.00 -0.02 0.00 0.00 41.12 42.18 2qzj n ASP 99 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2qzj s ASP 100 N -4.90 0.00 -0.17 -2.24 -1.08 -1.17 -5.01 116.67 102.09 2qzj s ASP 100 Ca -0.10 -0.96 -0.05 0.00 -0.52 0.00 0.00 52.55 50.93 2qzj s ASP 100 Cb 0.04 0.64 0.08 0.00 -1.46 0.00 0.00 42.92 42.23 2qzj s ASP 100 CO 0.54 -1.24 0.29 -0.47 0.52 0.00 0.00 175.17 174.80 2qzj s TYR 101 N -3.74 -0.51 0.04 -5.34 5.04 -1.26 -1.23 117.35 110.35 2qzj s TYR 101 Ca 0.21 0.87 0.05 0.00 -2.44 0.00 0.00 57.07 55.75 2qzj s TYR 101 Cb -0.02 -0.05 -0.04 0.00 0.35 0.00 0.00 41.96 42.20 2qzj s TYR 101 CO 0.10 -0.48 -0.08 -0.51 -1.34 0.00 0.00 175.55 173.24 2qzj s LEU 102 N 2.45 3.12 -0.12 6.97 1.43 0.11 -4.93 118.68 127.71 2qzj s LEU 102 Ca 0.04 -0.24 -0.10 0.00 -1.03 0.00 0.00 54.13 52.81 2qzj s LEU 102 Cb -0.13 -1.84 -0.05 0.00 0.03 0.00 0.00 46.19 44.20 2qzj s LEU 102 CO -0.11 0.24 0.20 -0.63 0.23 0.00 0.00 176.35 176.28 2qzj s ILE 103 N -1.08 5.39 0.35 -0.59 1.09 -1.26 -1.98 121.20 123.11 2qzj s ILE 103 Ca 0.19 0.35 -0.11 0.00 -1.10 0.00 0.00 60.65 59.98 2qzj s ILE 103 Cb -0.11 -3.49 -0.07 0.00 -1.06 0.00 0.00 42.46 37.73 2qzj s ILE 103 CO 0.10 0.55 0.70 -0.54 -0.10 0.00 0.00 174.94 175.66 2qzj s LYS 104 N -0.60 3.82 0.22 2.79 1.02 -0.35 -3.87 119.74 122.76 2qzj s LYS 104 Ca 0.15 0.44 -0.31 0.00 0.02 0.00 0.00 55.97 56.27 2qzj s LYS 104 Cb -0.13 -2.47 -0.11 0.00 -0.52 0.00 0.00 37.83 34.61 2qzj s LYS 104 CO 0.04 0.09 1.58 -2.14 -0.92 0.00 0.00 175.35 174.01 2qzj s PRO 105 N -3.45 4.19 0.27 -1.68 0.02 -1.26 -4.69 135.00 128.40 2qzj s PRO 105 Ca 0.51 2.45 -0.30 0.00 0.02 0.00 0.00 61.00 63.67 2qzj s PRO 105 Cb -0.10 -3.10 -0.13 0.00 0.02 0.00 0.00 34.50 31.19 2qzj s PRO 105 CO 0.26 -0.61 1.43 1.28 -0.33 0.00 0.00 177.00 179.03 2qzj n LEU 106 N 3.31 3.48 -4.41 -5.54 4.77 -1.25 -4.94 117.00 112.43 2qzj n LEU 106 Ca 0.12 1.16 -0.44 0.00 -0.03 0.00 0.00 56.01 56.81 2qzj n LEU 106 Cb 0.38 -1.48 -0.06 0.00 -2.33 0.00 0.00 43.42 39.93 2qzj n LEU 106 CO 0.62 -0.34 0.25 0.21 -1.33 0.00 0.00 177.39 176.80 2qzj s ASN 107 N 0.21 6.19 0.19 -1.43 3.84 -1.26 -4.96 114.94 117.72 2qzj s ASN 107 Ca 0.65 -1.19 -0.12 0.00 0.21 0.00 0.00 52.86 52.40 2qzj s ASN 107 Cb -0.60 -2.26 0.11 0.00 -0.55 0.00 0.00 41.25 37.96 2qzj s ASN 107 CO 0.52 -0.87 1.85 -0.07 -2.79 0.00 0.00 177.10 175.74 2qzj h LEU 108 N 9.44 0.67 -0.55 3.21 3.38 -1.99 -1.84 115.31 127.63 2qzj h LEU 108 Ca -0.28 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 2qzj h LEU 108 Cb 1.10 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.66 2qzj h LEU 108 CO 0.97 0.48 0.32 -0.33 0.09 0.00 0.00 178.44 179.97 2qzj h GLU 109 N 0.79 0.76 -0.40 1.13 4.39 -2.00 -0.20 114.58 119.06 2qzj h GLU 109 Ca 0.23 -0.08 -0.07 0.00 0.34 0.00 0.00 59.36 59.78 2qzj h GLU 109 Cb -0.06 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.43 2qzj h GLU 109 CO -0.07 0.56 -0.04 0.82 -1.16 0.00 0.00 179.01 179.13 2qzj h ILE 110 N 0.74 1.27 -0.78 3.13 2.04 -1.98 -1.78 117.51 120.14 2qzj h ILE 110 Ca 0.20 -1.08 0.08 0.00 1.00 0.00 0.00 64.86 65.05 2qzj h ILE 110 Cb 0.01 1.17 -0.07 0.00 -0.74 0.00 0.00 36.82 37.20 2qzj h ILE 110 CO -0.03 0.36 0.45 0.25 0.00 0.00 0.00 178.15 179.18 2qzj h LEU 111 N 0.54 0.67 -0.53 1.44 6.46 -1.03 -1.07 115.31 121.79 2qzj h LEU 111 Ca 0.11 0.04 -0.08 0.00 -0.12 0.00 0.00 57.88 57.83 2qzj h LEU 111 Cb 0.53 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 40.35 2qzj h LEU 111 CO 0.03 0.40 0.02 0.22 -0.62 0.00 0.00 178.44 178.49 2qzj h TYR 112 N 0.79 0.99 -0.67 1.25 3.20 -0.79 -0.64 116.97 121.10 2qzj h TYR 112 Ca 0.36 -0.16 0.08 0.00 3.14 0.00 0.00 58.73 62.14 2qzj h TYR 112 Cb 0.27 -0.26 -0.06 0.00 1.54 0.00 0.00 36.73 38.22 2qzj h TYR 112 CO -0.06 0.91 0.35 0.00 -1.64 0.00 0.00 178.16 177.71 2qzj h ALA 113 N 0.96 0.91 -0.09 1.82 0.00 -0.54 0.26 119.26 122.58 2qzj h ALA 113 Ca 0.15 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 2qzj h ALA 113 Cb 0.50 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2qzj h ALA 113 CO 0.02 -0.02 -0.39 0.87 0.00 0.00 0.00 179.25 179.74 2qzj h LYS 114 N 0.62 0.19 0.18 0.00 1.57 -0.96 0.80 116.57 118.96 2qzj h LYS 114 Ca 0.32 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 59.01 2qzj h LYS 114 Cb 0.28 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.59 2qzj h LYS 114 CO -0.23 0.55 -0.09 0.28 -0.57 0.00 0.00 179.45 179.40 2qzj h VAL 115 N 0.16 0.94 -0.91 0.50 2.07 -0.04 -0.97 116.25 118.00 2qzj h VAL 115 Ca 0.02 -0.80 0.11 0.00 0.82 0.00 0.00 66.70 66.85 2qzj h VAL 115 Cb 0.76 1.40 -0.08 0.00 -1.52 0.00 0.00 31.29 31.85 2qzj h VAL 115 CO 0.06 0.18 0.55 0.11 0.02 0.00 0.00 177.57 178.48 2qzj h LYS 116 N -0.65 0.86 -0.16 1.57 1.57 -0.81 0.23 116.57 119.17 2qzj h LYS 116 Ca -0.02 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 2qzj h LYS 116 Cb 0.47 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 2qzj h LYS 116 CO 0.04 0.57 0.09 0.00 -0.57 0.00 0.00 179.45 179.58 2qzj h ALA 117 N 1.50 0.21 0.09 3.86 0.00 -0.76 0.11 119.26 124.27 2qzj h ALA 117 Ca 0.45 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.30 2qzj h ALA 117 Cb 0.43 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2qzj h ALA 117 CO -0.26 -0.27 -0.04 0.82 0.00 0.00 0.00 179.25 179.50 2qzj h ILE 118 N 0.17 0.98 -0.39 0.00 2.04 -0.02 -1.82 117.51 118.48 2qzj h ILE 118 Ca 0.06 -0.26 0.03 0.00 1.00 0.00 0.00 64.86 65.69 2qzj h ILE 118 Cb 0.05 1.15 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 2qzj h ILE 118 CO -0.01 0.06 0.20 -0.07 0.00 0.00 0.00 178.15 178.33 2qzj h LEU 119 N -0.24 0.29 -0.20 1.44 3.38 -0.52 -2.58 115.31 116.89 2qzj h LEU 119 Ca -0.01 0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.03 2qzj h LEU 119 Cb 0.20 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 40.85 2qzj h LEU 119 CO 0.02 0.21 -0.21 -0.09 0.09 0.00 0.00 178.44 178.46 2qzj h ARG 120 N 0.40 -0.22 -1.02 1.13 2.43 -0.71 0.13 114.38 116.52 2qzj h ARG 120 Ca 0.16 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 2qzj h ARG 120 Cb 0.06 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 2qzj h ARG 120 CO -0.11 -0.15 0.00 -2.13 -1.51 0.00 0.00 179.97 176.07 2qzj n ARG 121 N -5.36 0.00 0.00 0.20 0.63 -0.69 -0.65 116.66 110.79 2qzj n ARG 121 Ca -0.01 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.92 2qzj n ARG 121 Cb 0.27 -1.14 0.00 0.00 0.45 0.00 0.00 32.46 32.04 2qzj n ARG 121 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 2qzj n ASN 123 N 0.69 0.00 0.00 6.15 3.02 0.45 -5.11 115.26 120.46 2qzj n ASN 123 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2qzj n ASN 123 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 2qzj n ASN 123 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44