#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 1.81 -0.23 1.69 -4.23 -1.26 -5.02 115.64 108.39 2qzj s THR 5 Ca 0.00 -1.17 -0.06 0.00 -1.18 0.00 0.00 61.69 59.28 2qzj s THR 5 Cb 0.00 -1.54 -0.02 0.00 1.34 0.00 0.00 72.50 72.28 2qzj s THR 5 CO 0.00 0.33 0.03 -0.54 -0.54 0.00 0.00 174.62 173.90 2qzj s LYS 6 N -1.00 3.57 -0.10 3.99 1.02 -1.26 -1.46 119.74 124.50 2qzj s LYS 6 Ca 0.09 -0.53 0.01 0.00 0.02 0.00 0.00 55.97 55.56 2qzj s LYS 6 Cb -0.09 -3.20 -0.02 0.00 -0.52 0.00 0.00 37.83 34.00 2qzj s LYS 6 CO 0.01 -0.16 -0.12 0.42 -0.92 0.00 0.00 175.35 174.58 2qzj s ILE 7 N 1.49 3.23 -0.22 2.17 1.09 -0.64 -0.25 121.20 128.07 2qzj s ILE 7 Ca 0.06 -0.62 -0.08 0.00 -1.10 0.00 0.00 60.65 58.90 2qzj s ILE 7 Cb -0.15 -2.33 -0.04 0.00 -1.06 0.00 0.00 42.46 38.88 2qzj s ILE 7 CO 0.01 0.55 0.10 -0.22 -0.10 0.00 0.00 174.94 175.28 2qzj s LEU 8 N -0.09 3.80 -0.51 2.97 2.96 -0.53 -1.24 118.68 126.03 2qzj s LEU 8 Ca -0.01 0.00 -0.05 0.00 -0.22 0.00 0.00 54.13 53.85 2qzj s LEU 8 Cb -0.14 -2.00 0.13 0.00 0.50 0.00 0.00 46.19 44.69 2qzj s LEU 8 CO 0.03 0.08 0.34 -0.63 -1.32 0.00 0.00 176.35 174.85 2qzj s ILE 9 N 0.97 3.77 -0.54 6.68 1.01 -0.18 -0.66 121.20 132.25 2qzj s ILE 9 Ca 0.05 -2.29 -0.24 0.00 0.00 0.00 0.00 60.65 58.18 2qzj s ILE 9 Cb -0.14 -3.50 0.04 0.00 0.01 0.00 0.00 42.46 38.87 2qzj s ILE 9 CO 0.03 -0.79 0.90 -0.63 0.00 0.00 0.00 174.94 174.46 2qzj s ILE 10 N 0.78 4.45 0.00 2.92 1.01 0.10 -2.55 121.20 127.91 2qzj s ILE 10 Ca 0.11 0.22 0.00 0.00 0.00 0.00 0.00 60.65 60.98 2qzj s ILE 10 Cb -0.22 -4.50 0.00 0.00 0.01 0.00 0.00 42.46 37.75 2qzj s ILE 10 CO -0.03 -1.06 0.00 -0.67 0.00 0.00 0.00 174.94 173.18 2qzj n ASP 11 N 7.29 0.00 0.00 3.58 2.03 -0.98 -2.76 116.55 125.71 2qzj n ASP 11 Ca 0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.32 2qzj n ASP 11 Cb 0.47 0.03 0.00 0.00 -0.72 0.00 0.00 41.12 40.90 2qzj n ASP 11 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2qzj n GLY 12 N 1.20 1.97 3.51 0.27 0.00 -1.25 -4.74 105.19 106.14 2qzj n GLY 12 Ca 0.00 -0.62 -0.42 0.00 0.00 0.00 0.00 46.02 44.98 2qzj n GLY 12 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2qzj s ASP 13 N -0.42 6.57 0.00 1.61 2.15 -1.26 -4.84 116.67 120.49 2qzj s ASP 13 Ca 0.00 -1.75 0.00 0.00 0.43 0.00 0.00 52.55 51.23 2qzj s ASP 13 Cb 0.00 -2.49 0.00 0.00 -0.30 0.00 0.00 42.92 40.13 2qzj s ASP 13 CO 0.00 -1.30 0.78 0.29 -0.17 0.00 0.00 175.17 174.77 2qzj n LYS 14 N 7.83 0.00 0.04 4.34 5.02 -1.26 0.47 118.16 134.61 2qzj n LYS 14 Ca 0.30 0.30 -0.08 0.00 -2.02 0.00 0.00 58.31 56.82 2qzj n LYS 14 Cb 0.50 -1.61 -0.13 0.00 -0.02 0.00 0.00 35.03 33.78 2qzj n LYS 14 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 2qzj h ASP 15 N 0.00 0.01 0.02 4.39 1.82 -1.99 -2.21 116.42 118.46 2qzj h ASP 15 Ca 0.00 -0.01 -0.12 0.00 -0.39 0.00 0.00 57.03 56.52 2qzj h ASP 15 Cb 0.21 -0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.21 2qzj h ASP 15 CO 0.00 1.01 -0.62 -1.13 -1.61 0.00 0.00 179.24 176.89 2qzj h ASN 16 N 0.00 0.07 -0.73 2.28 -1.24 -0.38 -3.26 115.58 112.31 2qzj h ASN 16 Ca -0.09 -0.82 0.12 0.00 0.71 0.00 0.00 56.30 56.22 2qzj h ASN 16 Cb 1.84 -0.02 -0.08 0.00 0.73 0.00 0.00 38.32 40.78 2qzj h ASN 16 CO 0.12 1.25 0.33 0.00 -1.29 0.00 0.00 177.43 177.84 2qzj h GLN 18 N 0.52 0.00 0.13 0.00 1.08 -1.54 0.11 115.11 115.42 2qzj h GLN 18 Ca 0.38 0.00 -0.24 0.00 -1.45 0.00 0.00 58.65 57.34 2qzj h GLN 18 Cb 0.51 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.94 2qzj h GLN 18 CO -0.34 0.06 -1.19 -0.22 -0.95 0.00 0.00 178.83 176.20 2qzj h LYS 19 N 0.00 0.27 -0.16 1.46 3.64 -1.26 -2.47 116.57 118.05 2qzj h LYS 19 Ca -0.00 -0.47 -0.17 0.00 -1.27 0.00 0.00 60.65 58.75 2qzj h LYS 19 Cb 0.59 0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.58 2qzj h LYS 19 CO 0.01 1.22 -0.59 -0.07 -2.27 0.00 0.00 179.45 177.75 2qzj h LEU 20 N -0.32 0.59 -0.70 5.20 3.38 -1.24 0.47 115.31 122.69 2qzj h LEU 20 Ca -0.24 -0.33 -0.06 0.00 0.09 0.00 0.00 57.88 57.34 2qzj h LEU 20 Cb 1.73 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 42.28 2qzj h LEU 20 CO 0.10 1.04 0.20 0.50 0.09 0.00 0.00 178.44 180.37 2qzj h LYS 21 N 0.39 1.10 -0.10 1.13 3.64 -0.88 -1.95 116.57 119.89 2qzj h LYS 21 Ca -0.00 -0.25 -0.22 0.00 -1.27 0.00 0.00 60.65 58.91 2qzj h LYS 21 Cb 1.13 -0.15 0.01 0.00 -0.41 0.00 0.00 32.23 32.81 2qzj h LYS 21 CO 0.11 0.95 -0.83 0.78 -2.27 0.00 0.00 179.45 178.19 2qzj h GLY 22 N 1.04 0.76 0.17 5.01 0.00 -1.25 -2.65 103.07 106.15 2qzj h GLY 22 Ca 0.22 -1.12 -0.01 0.00 0.00 0.00 0.00 47.33 46.42 2qzj h GLY 22 CO -0.00 1.00 -0.08 -2.75 0.00 0.00 0.00 176.54 174.70 2qzj h PHE 23 N 0.45 -0.22 -0.24 5.60 3.57 -0.79 -2.63 116.94 122.68 2qzj h PHE 23 Ca -0.06 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.50 2qzj h PHE 23 Cb 1.45 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 40.25 2qzj h PHE 23 CO 0.08 -0.13 0.21 -0.07 -2.23 0.00 0.00 178.31 176.16 2qzj h LEU 24 N -0.34 0.00 0.52 0.59 3.38 -1.53 -2.28 115.31 115.65 2qzj h LEU 24 Ca -0.02 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 2qzj h LEU 24 Cb 0.18 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.93 2qzj h LEU 24 CO 0.04 0.00 -0.25 -0.08 0.09 0.00 0.00 178.44 178.24 2qzj h GLU 25 N 0.00 -0.67 0.00 1.13 4.81 -1.50 -1.17 114.58 117.18 2qzj h GLU 25 Ca 0.11 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 2qzj h GLU 25 Cb 0.53 0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.06 2qzj h GLU 25 CO -0.00 -0.37 0.00 -0.85 -0.73 0.00 0.00 179.01 177.05 2qzj n GLU 26 N -5.32 0.27 -0.32 1.92 -0.00 -0.89 0.54 120.64 116.85 2qzj n GLU 26 Ca -0.11 0.03 0.12 0.00 -0.00 0.00 0.00 57.16 57.20 2qzj n GLU 26 Cb 0.32 -1.50 0.29 0.00 -0.00 0.00 0.00 31.44 30.55 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 -1.05 2.64 -1.49 3.44 4.76 -0.85 -4.92 118.16 120.69 2qzj n LYS 27 Ca 0.07 -2.54 0.00 0.00 -2.87 0.00 0.00 58.31 52.97 2qzj n LYS 27 Cb 0.04 -1.55 0.00 0.00 -1.84 0.00 0.00 35.03 31.67 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 1.62 0.58 3.30 0.72 0.00 0.19 -5.05 105.19 106.55 2qzj n GLY 28 Ca 0.23 -0.80 -0.33 0.00 0.00 0.00 0.00 46.02 45.13 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 2.61 0.14 -0.61 -1.09 -0.50 -4.44 121.20 115.31 2qzj s ILE 29 Ca 0.00 -0.82 -0.29 0.00 -2.23 0.00 0.00 60.65 57.31 2qzj s ILE 29 Cb 0.00 -2.06 -0.07 0.00 -1.58 0.00 0.00 42.46 38.75 2qzj s ILE 29 CO 0.00 0.54 0.92 -0.94 -1.23 0.00 0.00 174.94 174.23 2qzj s SER 30 N 0.39 7.50 -0.07 3.58 1.04 -0.54 -3.69 113.70 121.91 2qzj s SER 30 Ca -0.14 1.78 0.01 0.00 0.48 0.00 0.00 55.95 58.08 2qzj s SER 30 Cb -0.17 -2.57 0.02 0.00 0.10 0.00 0.00 66.02 63.40 2qzj s SER 30 CO 0.06 0.02 -0.08 -0.63 0.98 0.00 0.00 173.24 173.60 2qzj s ILE 31 N -0.39 0.86 0.23 -1.02 1.01 -1.26 -1.62 121.20 119.02 2qzj s ILE 31 Ca 0.44 -0.27 0.03 0.00 0.00 0.00 0.00 60.65 60.85 2qzj s ILE 31 Cb -0.24 -0.86 -0.03 0.00 0.01 0.00 0.00 42.46 41.34 2qzj s ILE 31 CO 0.29 0.31 0.37 -1.81 0.00 0.00 0.00 174.94 174.11 2qzj s ASP 32 N 1.16 6.33 -0.07 3.58 1.01 -0.37 -4.98 116.67 123.33 2qzj s ASP 32 Ca -0.06 0.18 -0.03 0.00 0.71 0.00 0.00 52.55 53.36 2qzj s ASP 32 Cb -0.14 -1.91 0.04 0.00 1.01 0.00 0.00 42.92 41.92 2qzj s ASP 32 CO -0.02 -0.07 0.10 -0.76 0.21 0.00 0.00 175.17 174.64 2qzj s LEU 33 N -3.77 0.07 0.18 1.23 1.02 -1.26 -1.01 118.68 115.15 2qzj s LEU 33 Ca 0.35 0.12 -0.02 0.00 0.02 0.00 0.00 54.13 54.60 2qzj s LEU 33 Cb -0.10 0.01 -0.05 0.00 0.02 0.00 0.00 46.19 46.07 2qzj s LEU 33 CO 0.30 -0.26 0.38 0.00 0.02 0.00 0.00 176.35 176.79 2qzj s ALA 34 N 2.21 3.83 -0.38 4.21 0.00 -1.06 -4.97 121.76 125.61 2qzj s ALA 34 Ca 0.04 -0.77 0.05 0.00 0.00 0.00 0.00 51.96 51.29 2qzj s ALA 34 Cb -0.12 -2.02 -0.03 0.00 0.00 0.00 0.00 23.12 20.94 2qzj s ALA 34 CO -0.05 0.50 0.34 0.66 0.00 0.00 0.00 175.76 177.21 2qzj n TYR 35 N -0.47 0.00 -3.76 0.00 4.02 -1.26 -2.32 117.16 113.37 2qzj n TYR 35 Ca -0.04 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.76 2qzj n TYR 35 Cb 0.53 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.87 2qzj n TYR 35 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 2qzj n ASN 36 N -0.76 -1.84 -0.30 7.72 6.94 -1.26 -3.79 115.26 121.96 2qzj n ASN 36 Ca 0.02 -2.46 -0.04 0.00 -0.02 0.00 0.00 54.58 52.07 2qzj n ASN 36 Cb 0.10 3.11 0.10 0.00 -2.36 0.00 0.00 39.78 40.73 2qzj n ASN 36 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2qzj h GLU 38 N 1.19 -0.44 -1.34 0.00 5.08 -1.99 -0.52 114.58 116.56 2qzj h GLU 38 Ca 0.29 0.03 0.40 0.00 -1.00 0.00 0.00 59.36 59.08 2qzj h GLU 38 Cb 0.10 0.10 -0.09 0.00 0.50 0.00 0.00 28.75 29.36 2qzj h GLU 38 CO -0.04 -0.29 0.91 0.93 -1.00 0.00 0.00 179.01 179.51 2qzj h GLU 39 N -0.46 0.11 0.35 2.33 5.08 -1.97 0.33 114.58 120.36 2qzj h GLU 39 Ca -0.04 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 2qzj h GLU 39 Cb 0.37 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.60 2qzj h GLU 39 CO 0.03 0.08 -0.17 0.00 -1.00 0.00 0.00 179.01 177.94 2qzj h ALA 40 N 1.46 -0.47 -1.00 3.43 0.00 -1.13 0.82 119.26 122.38 2qzj h ALA 40 Ca 0.73 -0.18 0.23 0.00 0.00 0.00 0.00 54.91 55.69 2qzj h ALA 40 Cb 2.47 0.18 -0.10 0.00 0.00 0.00 0.00 17.79 20.35 2qzj h ALA 40 CO -0.23 -0.51 0.63 0.82 0.00 0.00 0.00 179.25 179.96 2qzj h ILE 41 N -0.98 0.61 0.00 0.00 2.04 0.78 -1.30 117.51 118.67 2qzj h ILE 41 Ca -0.05 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.63 2qzj h ILE 41 Cb 0.51 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.63 2qzj h ILE 41 CO 0.08 0.10 0.00 0.61 0.00 0.00 0.00 178.15 178.94 2qzj n GLY 42 N -1.42 -2.87 0.56 5.37 0.00 0.92 -2.95 105.19 104.80 2qzj n GLY 42 Ca 0.24 0.01 0.43 0.00 0.00 0.00 0.00 46.02 46.70 2qzj n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qzj n LYS 43 N -0.40 -0.01 0.03 1.61 4.76 0.26 -0.61 118.16 123.80 2qzj n LYS 43 Ca 0.00 0.98 -0.13 0.00 -2.87 0.00 0.00 58.31 56.30 2qzj n LYS 43 Cb 0.00 -2.16 -0.09 0.00 -1.84 0.00 0.00 35.03 30.94 2qzj n LYS 43 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 2qzj h ILE 44 N 0.00 1.16 -0.92 -0.18 1.08 -1.24 -0.77 117.51 116.65 2qzj h ILE 44 Ca 0.80 -0.61 0.01 0.00 -0.39 0.00 0.00 64.86 64.67 2qzj h ILE 44 Cb 3.03 1.57 -0.05 0.00 -3.07 0.00 0.00 36.82 38.31 2qzj h ILE 44 CO -0.13 0.16 0.60 -0.26 -0.69 0.00 0.00 178.15 177.82 2qzj h PHE 45 N -0.31 1.16 0.00 1.37 0.05 -0.74 -3.34 116.94 115.13 2qzj h PHE 45 Ca -0.00 0.02 0.00 0.00 3.82 0.00 0.00 57.97 61.81 2qzj h PHE 45 Cb 0.29 -0.39 0.00 0.00 2.00 0.00 0.00 35.95 37.84 2qzj h PHE 45 CO 0.01 0.74 0.00 0.43 -0.18 0.00 0.00 178.31 179.31 2qzj n SER 46 N -4.39 0.00 -4.91 2.17 7.64 -1.16 -4.93 113.62 108.04 2qzj n SER 46 Ca 0.11 0.49 -0.27 0.00 1.01 0.00 0.00 58.87 60.20 2qzj n SER 46 Cb 0.02 -0.35 0.00 0.00 -1.01 0.00 0.00 64.21 62.88 2qzj n SER 46 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 2qzj s ASN 47 N -2.28 6.21 -0.16 6.43 -0.87 -0.30 -5.08 114.94 118.90 2qzj s ASN 47 Ca 0.00 0.85 -0.01 0.00 -1.57 0.00 0.00 52.86 52.12 2qzj s ASN 47 Cb 0.00 -2.17 -0.01 0.00 -0.02 0.00 0.00 41.25 39.05 2qzj s ASN 47 CO 0.00 -0.58 -0.10 -0.54 -2.57 0.00 0.00 177.10 173.30 2qzj s LYS 48 N -4.71 3.39 0.27 -0.60 1.02 -1.26 -4.51 119.74 113.34 2qzj s LYS 48 Ca 0.47 -0.66 0.09 0.00 0.02 0.00 0.00 55.97 55.89 2qzj s LYS 48 Cb -0.10 -2.74 -0.04 0.00 -0.52 0.00 0.00 37.83 34.42 2qzj s LYS 48 CO 0.44 0.10 0.04 0.71 -0.92 0.00 0.00 175.35 175.72 2qzj s TYR 49 N 0.67 2.78 -1.04 3.18 1.51 -1.26 -4.79 117.35 118.40 2qzj s TYR 49 Ca -0.06 -0.20 0.22 0.00 -1.01 0.00 0.00 57.07 56.02 2qzj s TYR 49 Cb -0.15 -1.25 -0.04 0.00 -0.11 0.00 0.00 41.96 40.41 2qzj s TYR 49 CO 0.02 0.59 1.04 -0.25 -1.11 0.00 0.00 175.55 175.84 2qzj n ASP 50 N -0.96 0.91 -3.63 2.29 8.00 0.65 -4.88 116.55 118.93 2qzj n ASP 50 Ca -0.07 -0.83 -0.08 0.00 0.71 0.00 0.00 54.79 54.52 2qzj n ASP 50 Cb 0.59 0.79 -0.07 0.00 -0.02 0.00 0.00 41.12 42.42 2qzj n ASP 50 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2qzj s LEU 51 N -2.98 -0.33 -0.10 0.64 2.96 -1.25 -4.49 118.68 113.13 2qzj s LEU 51 Ca 0.09 0.60 0.01 0.00 -0.22 0.00 0.00 54.13 54.61 2qzj s LEU 51 Cb 0.16 1.67 0.02 0.00 0.50 0.00 0.00 46.19 48.54 2qzj s LEU 51 CO 0.82 -0.14 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.95 2qzj s ILE 52 N -0.03 1.33 -0.35 6.68 1.01 -0.39 -1.46 121.20 127.99 2qzj s ILE 52 Ca 0.04 -0.54 -0.17 0.00 0.00 0.00 0.00 60.65 59.99 2qzj s ILE 52 Cb -0.04 -1.24 -0.01 0.00 0.01 0.00 0.00 42.46 41.18 2qzj s ILE 52 CO -0.08 0.41 0.43 -0.36 0.00 0.00 0.00 174.94 175.34 2qzj s PHE 53 N 1.09 3.19 -0.09 3.97 0.40 0.16 0.16 117.98 126.87 2qzj s PHE 53 Ca -0.05 0.03 0.01 0.00 -0.60 0.00 0.00 56.93 56.32 2qzj s PHE 53 Cb -0.14 -2.79 -0.02 0.00 0.51 0.00 0.00 43.02 40.57 2qzj s PHE 53 CO -0.02 -0.50 -0.11 -1.17 0.70 0.00 0.00 175.22 174.12 2qzj s LEU 54 N 2.18 2.91 0.42 -0.37 2.96 0.05 -0.72 118.68 126.11 2qzj s LEU 54 Ca 0.15 -0.18 0.03 0.00 -0.22 0.00 0.00 54.13 53.91 2qzj s LEU 54 Cb -0.16 -1.63 0.00 0.00 0.50 0.00 0.00 46.19 44.89 2qzj s LEU 54 CO 0.12 0.28 0.61 -0.70 -1.32 0.00 0.00 176.35 175.34 2qzj s GLU 55 N -0.31 3.01 -0.20 1.98 2.56 -1.11 -3.85 118.70 120.77 2qzj s GLU 55 Ca 0.03 -0.75 -0.16 0.00 0.00 0.00 0.00 54.97 54.10 2qzj s GLU 55 Cb -0.13 -2.65 -0.19 0.00 2.00 0.00 0.00 34.13 33.16 2qzj s GLU 55 CO 0.03 -0.21 0.12 -0.89 -0.56 0.00 0.00 175.26 173.75 2qzj n ILE 56 N -1.95 1.59 -3.07 -3.70 5.41 -1.26 -3.94 119.36 112.44 2qzj n ILE 56 Ca 0.02 -0.26 -0.42 0.00 1.00 0.00 0.00 62.75 63.09 2qzj n ILE 56 Cb 0.58 -1.91 -0.06 0.00 -0.71 0.00 0.00 39.64 37.54 2qzj n ILE 56 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 2qzj s ILE 57 N -2.44 4.82 0.02 1.39 1.01 -1.26 0.88 121.20 125.62 2qzj s ILE 57 Ca -0.30 0.44 0.02 0.00 0.00 0.00 0.00 60.65 60.82 2qzj s ILE 57 Cb 0.08 -4.17 -0.01 0.00 0.01 0.00 0.00 42.46 38.36 2qzj s ILE 57 CO 0.61 -0.48 -0.07 -0.76 0.00 0.00 0.00 174.94 174.25 2qzj s LEU 58 N 2.88 2.14 0.15 2.97 1.43 -1.25 -4.95 118.68 122.04 2qzj s LEU 58 Ca 0.25 -0.34 -0.31 0.00 -1.03 0.00 0.00 54.13 52.70 2qzj s LEU 58 Cb -0.14 -0.21 -0.07 0.00 0.03 0.00 0.00 46.19 45.80 2qzj s LEU 58 CO 0.18 -0.08 1.55 0.28 0.23 0.00 0.00 176.35 178.50 2qzj h SER 59 N 5.19 -1.97 0.00 2.29 0.02 -1.92 -3.36 113.55 113.80 2qzj h SER 59 Ca -0.32 0.28 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 2qzj h SER 59 Cb 1.20 0.85 0.00 0.00 0.14 0.00 0.00 62.40 64.58 2qzj h SER 59 CO 0.45 -0.32 0.00 0.47 -1.14 0.00 0.00 176.83 176.29 2qzj n ASP 60 N -5.32 0.00 -0.29 3.07 9.92 -1.26 -4.99 116.55 117.68 2qzj n ASP 60 Ca -0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 2qzj n ASP 60 Cb 0.31 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.79 2qzj n ASP 60 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2qzj n GLY 61 N 0.14 1.66 3.46 0.44 0.00 -1.26 -5.05 105.19 104.58 2qzj n GLY 61 Ca 0.00 -1.71 -0.30 0.00 0.00 0.00 0.00 46.02 44.01 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 -1.00 3.79 0.44 1.61 -4.77 -1.26 -3.97 116.67 111.51 2qzj s ASP 62 Ca 0.00 -0.47 0.18 0.00 -3.30 0.00 0.00 52.55 48.96 2qzj s ASP 62 Cb 0.00 -0.58 1.12 0.00 -1.09 0.00 0.00 42.92 42.37 2qzj s ASP 62 CO 0.00 0.24 1.90 1.23 0.70 0.00 0.00 175.17 179.24 2qzj h GLY 63 N 4.35 0.65 1.16 2.12 0.00 0.37 0.38 103.07 112.10 2qzj h GLY 63 Ca -0.48 -0.15 -0.10 0.00 0.00 0.00 0.00 47.33 46.60 2qzj h GLY 63 CO 0.47 0.03 -0.03 1.49 0.00 0.00 0.00 176.54 178.50 2qzj h TRP 64 N 0.35 1.09 0.08 5.60 6.55 -1.83 -1.54 115.95 126.26 2qzj h TRP 64 Ca 0.40 -0.19 -0.25 0.00 0.95 0.00 0.00 58.89 59.80 2qzj h TRP 64 Cb 1.02 -0.28 -0.01 0.00 -0.86 0.00 0.00 29.16 29.03 2qzj h TRP 64 CO -0.00 0.98 -1.15 1.15 -1.05 0.00 0.00 178.44 178.36 2qzj h THR 65 N 0.91 1.58 -0.60 1.49 2.02 -1.60 -2.83 112.91 113.88 2qzj h THR 65 Ca 0.16 -3.20 -0.06 0.00 0.77 0.00 0.00 66.41 64.07 2qzj h THR 65 Cb 0.57 2.90 -0.03 0.00 -1.74 0.00 0.00 68.15 69.86 2qzj h THR 65 CO 0.03 0.93 0.12 0.25 0.37 0.00 0.00 175.52 177.22 2qzj h LEU 66 N 0.04 0.90 -0.07 2.58 5.85 -0.91 0.76 115.31 124.46 2qzj h LEU 66 Ca -0.09 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.45 2qzj h LEU 66 Cb 1.89 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 42.69 2qzj h LEU 66 CO 0.17 0.89 0.04 0.00 -0.34 0.00 0.00 178.44 179.20 2qzj h LYS 68 N 0.05 0.42 0.00 0.00 1.57 -1.20 0.22 116.57 117.64 2qzj h LYS 68 Ca 0.03 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2qzj h LYS 68 Cb 0.05 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.26 2qzj h LYS 68 CO -0.00 0.28 0.00 1.17 -0.57 0.00 0.00 179.45 180.33 2qzj n LYS 69 N -4.49 0.00 -0.49 3.15 3.00 0.22 -2.92 118.16 116.63 2qzj n LYS 69 Ca 0.02 0.44 0.41 0.00 -0.00 0.00 0.00 58.31 59.18 2qzj n LYS 69 Cb 0.09 -1.33 0.69 0.00 0.00 0.00 0.00 35.03 34.48 2qzj n LYS 69 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.40 178.22 2qzj h ILE 70 N 0.00 0.08 0.00 3.15 2.04 0.16 0.54 117.51 123.48 2qzj h ILE 70 Ca 0.00 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.84 2qzj h ILE 70 Cb 0.00 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.11 2qzj h ILE 70 CO 0.00 0.01 0.00 0.54 0.00 0.00 0.00 178.15 178.70 2qzj n ARG 71 N -4.55 0.08 0.04 2.37 5.12 0.77 -1.56 116.66 118.93 2qzj n ARG 71 Ca 0.39 0.52 0.11 0.00 -1.93 0.00 0.00 57.85 56.94 2qzj n ARG 71 Cb 1.56 -1.74 -0.09 0.00 -1.16 0.00 0.00 32.46 31.03 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 -1.91 0.38 -0.47 0.55 4.13 0.19 -4.27 115.26 113.86 2qzj n ASN 72 Ca 0.00 0.14 0.08 0.00 1.68 0.00 0.00 54.58 56.48 2qzj n ASN 72 Cb 0.06 1.31 0.02 0.00 -1.54 0.00 0.00 39.78 39.63 2qzj n ASN 72 CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 2qzj n VAL 73 N -2.44 0.00 -3.64 2.41 0.24 -0.60 -5.01 118.33 109.29 2qzj n VAL 73 Ca -0.02 -0.39 -0.05 0.00 -2.04 0.00 0.00 64.34 61.83 2qzj n VAL 73 Cb 0.56 1.24 -0.07 0.00 -1.47 0.00 0.00 33.84 34.11 2qzj n VAL 73 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 2qzj s THR 74 N -1.72 0.00 -0.38 3.34 -1.32 -0.70 -5.01 115.64 109.84 2qzj s THR 74 Ca 0.15 0.00 0.07 0.00 -1.21 0.00 0.00 61.69 60.70 2qzj s THR 74 Cb 0.13 -1.00 0.69 0.00 -1.51 0.00 0.00 72.50 70.81 2qzj s THR 74 CO 0.34 0.00 1.84 0.35 -2.21 0.00 0.00 174.62 174.94 2qzj n THR 75 N 1.63 3.05 -1.98 5.08 -2.24 -1.26 -4.19 114.28 114.37 2qzj n THR 75 Ca -0.10 -1.86 -0.38 0.00 -2.27 0.00 0.00 64.05 59.44 2qzj n THR 75 Cb 0.57 -0.41 0.02 0.00 -2.10 0.00 0.00 70.33 68.40 2qzj n THR 75 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qzj s PRO 77 N -2.74 4.24 -0.18 0.00 0.04 -1.26 -4.88 135.00 130.22 2qzj s PRO 77 Ca 0.67 2.14 -0.06 0.00 0.04 0.00 0.00 61.00 63.79 2qzj s PRO 77 Cb -0.36 -3.57 -0.03 0.00 0.04 0.00 0.00 34.50 30.58 2qzj s PRO 77 CO 0.44 -0.64 0.02 0.42 0.04 0.00 0.00 177.00 177.28 2qzj s ILE 78 N 2.44 4.31 -0.20 0.56 1.01 -1.26 -1.26 121.20 126.80 2qzj s ILE 78 Ca 0.68 -0.20 0.02 0.00 0.00 0.00 0.00 60.65 61.15 2qzj s ILE 78 Cb -0.36 -2.94 0.03 0.00 0.01 0.00 0.00 42.46 39.21 2qzj s ILE 78 CO 0.29 0.45 -0.17 -0.69 0.00 0.00 0.00 174.94 174.83 2qzj s VAL 79 N 0.62 2.05 0.00 2.92 1.01 0.12 -0.82 120.40 126.30 2qzj s VAL 79 Ca 0.01 -1.13 0.00 0.00 0.00 0.00 0.00 61.98 60.85 2qzj s VAL 79 Cb -0.14 -1.96 0.00 0.00 0.00 0.00 0.00 36.38 34.29 2qzj s VAL 79 CO 0.02 0.35 0.00 -1.22 0.00 0.00 0.00 175.10 174.25 2qzj n TYR 80 N 4.58 -2.50 0.00 5.22 4.02 -0.38 -0.77 117.16 127.32 2qzj n TYR 80 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.71 2qzj n TYR 80 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.79 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 -1.80 0.00 -0.07 -0.72 5.66 -0.33 0.85 114.28 117.87 2qzj n THR 82 Ca 0.00 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 60.98 2qzj n THR 82 Cb 0.00 0.00 -0.16 0.00 -1.55 0.00 0.00 70.33 68.62 2qzj n THR 82 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 175.07 170.80 2qzj n TYR 83 N -1.72 0.00 -1.72 1.09 4.02 -1.26 0.31 117.16 117.88 2qzj n TYR 83 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.46 2qzj n TYR 83 Cb 0.00 -0.80 -0.03 0.00 -0.02 0.00 0.00 39.34 38.49 2qzj n TYR 83 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 2qzj s ILE 84 N -2.86 3.14 -0.57 -0.72 1.01 -1.26 -4.85 121.20 115.09 2qzj s ILE 84 Ca -0.09 0.15 0.04 0.00 0.00 0.00 0.00 60.65 60.75 2qzj s ILE 84 Cb 0.09 -3.15 0.37 0.00 0.01 0.00 0.00 42.46 39.78 2qzj s ILE 84 CO 0.84 -0.08 1.17 -3.20 0.00 0.00 0.00 174.94 173.67 2qzj n ASN 85 N 10.27 5.04 -4.53 3.58 4.05 -1.26 -4.91 115.26 127.51 2qzj n ASN 85 Ca 0.26 -3.72 -0.30 0.00 0.45 0.00 0.00 54.58 51.27 2qzj n ASN 85 Cb 0.44 -0.60 -0.11 0.00 1.23 0.00 0.00 39.78 40.74 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 -3.62 2.08 0.06 1.20 0.41 -1.26 -5.06 118.70 112.51 2qzj s GLU 86 Ca 0.48 -1.01 -0.23 0.00 -0.41 0.00 0.00 54.97 53.79 2qzj s GLU 86 Cb 0.34 -2.25 -0.16 0.00 -1.78 0.00 0.00 34.13 30.28 2qzj s GLU 86 CO -0.18 0.52 1.59 -0.44 -0.49 0.00 0.00 175.26 176.26 2qzj h ASP 87 N 4.00 0.04 -0.35 -0.19 3.32 -1.99 -2.29 116.42 118.96 2qzj h ASP 87 Ca -0.49 -0.16 0.10 0.00 0.02 0.00 0.00 57.03 56.51 2qzj h ASP 87 Cb 1.16 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.69 2qzj h ASP 87 CO 0.50 0.19 0.27 1.56 -1.72 0.00 0.00 179.24 180.03 2qzj h GLN 88 N -0.11 0.00 0.12 3.56 1.08 -1.97 0.65 115.11 118.44 2qzj h GLN 88 Ca 0.01 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.20 2qzj h GLN 88 Cb 0.16 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.59 2qzj h GLN 88 CO -0.00 0.00 -0.06 1.03 -0.95 0.00 0.00 178.83 178.85 2qzj h SER 89 N 0.00 -0.14 -0.95 1.46 0.87 -1.90 -1.48 113.55 111.41 2qzj h SER 89 Ca 0.17 -0.37 -0.00 0.00 -1.23 0.00 0.00 61.79 60.35 2qzj h SER 89 Cb 0.70 0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 62.65 2qzj h SER 89 CO -0.00 0.34 0.58 0.40 -0.53 0.00 0.00 176.83 177.62 2qzj h ILE 90 N -0.66 1.26 0.00 2.23 2.04 -0.67 -0.09 117.51 121.62 2qzj h ILE 90 Ca -0.02 -0.55 -0.02 0.00 1.00 0.00 0.00 64.86 65.27 2qzj h ILE 90 Cb 0.50 -0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.49 2qzj h ILE 90 CO 0.03 0.27 -0.12 -0.07 0.00 0.00 0.00 178.15 178.26 2qzj h LEU 91 N 1.31 0.00 0.23 1.44 3.38 0.28 -1.53 115.31 120.41 2qzj h LEU 91 Ca 0.34 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.30 2qzj h LEU 91 Cb -0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.68 2qzj h LEU 91 CO -0.07 0.12 -0.11 0.78 0.09 0.00 0.00 178.44 179.25 2qzj h ASN 92 N 0.00 -0.26 -0.76 -0.43 -0.26 0.03 -1.82 115.58 112.08 2qzj h ASN 92 Ca -0.00 -0.09 0.17 0.00 -0.56 0.00 0.00 56.30 55.82 2qzj h ASN 92 Cb 0.31 0.07 -0.13 0.00 -1.06 0.00 0.00 38.32 37.51 2qzj h ASN 92 CO 0.02 0.24 -0.03 0.00 -1.06 0.00 0.00 177.43 176.59 2qzj h ALA 93 N -0.91 0.73 -0.11 -0.83 0.00 -1.02 0.27 119.26 117.39 2qzj h ALA 93 Ca -0.03 0.25 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 2qzj h ALA 93 Cb 0.33 0.45 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 2qzj h ALA 93 CO 0.05 -0.43 -0.02 -0.07 0.00 0.00 0.00 179.25 178.79 2qzj h LEU 94 N 0.08 0.21 0.00 0.00 3.38 -1.37 -1.08 115.31 116.52 2qzj h LEU 94 Ca 0.41 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2qzj h LEU 94 Cb 0.70 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.40 2qzj h LEU 94 CO -0.69 0.51 0.00 0.59 0.09 0.00 0.00 178.44 178.94 2qzj n ASN 95 N -4.77 0.00 -0.01 -0.43 3.02 -0.68 -2.12 115.26 110.27 2qzj n ASN 95 Ca -0.06 -1.59 0.09 0.00 -0.03 0.00 0.00 54.58 52.99 2qzj n ASN 95 Cb 0.23 0.00 -0.16 0.00 -0.61 0.00 0.00 39.78 39.25 2qzj n ASN 95 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2qzj n SER 96 N -0.59 0.42 0.00 6.41 2.88 0.87 -4.97 113.62 118.63 2qzj n SER 96 Ca 0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 2qzj n SER 96 Cb 0.02 1.86 0.00 0.00 -0.75 0.00 0.00 64.21 65.34 2qzj n SER 96 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2qzj n GLY 97 N 1.39 0.33 3.82 0.46 0.00 -0.90 -4.13 105.19 106.17 2qzj n GLY 97 Ca -0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.20 1.62 -0.14 -0.02 0.00 -0.44 -4.77 107.32 103.38 2qzj s GLY 98 Ca 0.00 -0.26 0.03 0.00 0.00 0.00 0.00 44.72 44.49 2qzj s GLY 98 CO 0.00 0.16 -0.09 1.22 0.00 0.00 0.00 173.10 174.40 2qzj n ASP 99 N -3.36 2.69 -3.66 1.64 8.00 -0.00 -4.62 116.55 117.25 2qzj n ASP 99 Ca 0.07 -0.06 -0.14 0.00 0.71 0.00 0.00 54.79 55.37 2qzj n ASP 99 Cb 0.57 0.03 -0.07 0.00 -0.02 0.00 0.00 41.12 41.63 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 -5.15 0.73 -0.10 -2.24 -1.08 -1.15 -5.04 116.67 102.64 2qzj s ASP 100 Ca -0.16 -1.44 -0.04 0.00 -0.52 0.00 0.00 52.55 50.39 2qzj s ASP 100 Cb 0.05 0.55 0.05 0.00 -1.46 0.00 0.00 42.92 42.11 2qzj s ASP 100 CO 0.37 -1.09 0.21 -0.47 0.52 0.00 0.00 175.17 174.71 2qzj s TYR 101 N -3.61 -0.29 -0.06 -5.34 5.04 -1.26 -1.25 117.35 110.58 2qzj s TYR 101 Ca 0.34 0.76 0.04 0.00 -2.44 0.00 0.00 57.07 55.77 2qzj s TYR 101 Cb 0.02 -0.12 -0.02 0.00 0.35 0.00 0.00 41.96 42.19 2qzj s TYR 101 CO 0.18 -0.29 -0.15 -0.51 -1.34 0.00 0.00 175.55 173.44 2qzj s LEU 102 N 2.13 2.66 -0.15 6.97 1.43 0.25 -4.93 118.68 127.03 2qzj s LEU 102 Ca -0.00 -0.24 -0.12 0.00 -1.03 0.00 0.00 54.13 52.74 2qzj s LEU 102 Cb -0.12 -1.54 -0.05 0.00 0.03 0.00 0.00 46.19 44.52 2qzj s LEU 102 CO -0.07 0.32 0.23 -0.63 0.23 0.00 0.00 176.35 176.44 2qzj s ILE 103 N -0.60 5.34 0.54 -0.59 1.09 -1.26 -1.19 121.20 124.53 2qzj s ILE 103 Ca 0.09 0.42 -0.16 0.00 -1.10 0.00 0.00 60.65 59.90 2qzj s ILE 103 Cb -0.11 -3.56 -0.07 0.00 -1.06 0.00 0.00 42.46 37.66 2qzj s ILE 103 CO 0.01 0.46 1.00 -0.54 -0.10 0.00 0.00 174.94 175.76 2qzj s LYS 104 N 0.06 3.85 0.04 2.79 1.02 0.15 -3.87 119.74 123.79 2qzj s LYS 104 Ca 0.15 0.94 -0.30 0.00 0.02 0.00 0.00 55.97 56.77 2qzj s LYS 104 Cb -0.13 -2.12 -0.05 0.00 -0.52 0.00 0.00 37.83 35.01 2qzj s LYS 104 CO 0.03 -0.35 1.23 -1.25 -0.92 0.00 0.00 175.35 174.09 2qzj s PRO 105 N -4.24 4.40 -0.08 -1.68 0.04 -1.26 -4.85 135.00 127.33 2qzj s PRO 105 Ca 0.59 1.79 -0.37 0.00 0.04 0.00 0.00 61.00 63.04 2qzj s PRO 105 Cb -0.10 -3.40 -0.15 0.00 0.04 0.00 0.00 34.50 30.89 2qzj s PRO 105 CO 0.35 -0.33 1.64 1.28 0.04 0.00 0.00 177.00 179.98 2qzj n LEU 106 N 4.27 2.49 -4.47 -3.56 4.77 -1.25 -4.89 117.00 114.36 2qzj n LEU 106 Ca 0.10 1.07 -0.44 0.00 -0.03 0.00 0.00 56.01 56.71 2qzj n LEU 106 Cb 0.46 -1.24 -0.01 0.00 -2.33 0.00 0.00 43.42 40.29 2qzj n LEU 106 CO 0.56 -0.51 1.27 0.21 -1.33 0.00 0.00 177.39 177.59 2qzj s ASN 107 N 2.42 6.82 0.14 -1.43 3.84 -1.26 -4.94 114.94 120.53 2qzj s ASN 107 Ca 0.91 -2.43 -0.22 0.00 0.21 0.00 0.00 52.86 51.32 2qzj s ASN 107 Cb -0.91 -2.43 -0.01 0.00 -0.55 0.00 0.00 41.25 37.36 2qzj s ASN 107 CO 0.54 -0.97 1.21 0.18 -2.79 0.00 0.00 177.10 175.27 2qzj n LEU 108 N 6.47 -0.77 -0.20 3.21 4.77 -1.26 -0.19 117.00 129.04 2qzj n LEU 108 Ca 0.32 1.39 0.13 0.00 -0.03 0.00 0.00 56.01 57.82 2qzj n LEU 108 Cb 0.46 -0.21 0.45 0.00 -2.33 0.00 0.00 43.42 41.79 2qzj n LEU 108 CO 0.59 -1.16 1.21 -0.33 -1.33 0.00 0.00 177.39 176.37 2qzj h GLU 109 N 0.00 0.52 0.13 3.23 4.39 -1.99 1.04 114.58 121.91 2qzj h GLU 109 Ca 0.16 -0.03 -0.28 0.00 0.34 0.00 0.00 59.36 59.55 2qzj h GLU 109 Cb 0.35 -0.12 0.01 0.00 -0.10 0.00 0.00 28.75 28.89 2qzj h GLU 109 CO -0.75 0.35 -1.25 0.82 -1.16 0.00 0.00 179.01 177.02 2qzj h ILE 110 N 0.54 1.47 -0.33 3.13 2.04 -1.08 -2.73 117.51 120.54 2qzj h ILE 110 Ca 0.39 -2.98 -0.05 0.00 1.00 0.00 0.00 64.86 63.22 2qzj h ILE 110 Cb 0.74 2.92 -0.01 0.00 -0.74 0.00 0.00 36.82 39.73 2qzj h ILE 110 CO -0.14 0.87 -0.00 0.25 0.00 0.00 0.00 178.15 179.13 2qzj h LEU 111 N 0.09 0.57 -0.52 1.44 6.46 0.14 -2.45 115.31 121.04 2qzj h LEU 111 Ca -0.14 -0.31 0.01 0.00 -0.12 0.00 0.00 57.88 57.32 2qzj h LEU 111 Cb 1.97 -0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 41.71 2qzj h LEU 111 CO 0.21 0.74 0.34 0.22 -0.62 0.00 0.00 178.44 179.33 2qzj h TYR 112 N 0.38 0.64 -0.53 1.25 3.20 0.96 -0.71 116.97 122.15 2qzj h TYR 112 Ca 0.09 0.02 0.09 0.00 3.14 0.00 0.00 58.73 62.07 2qzj h TYR 112 Cb 0.45 -0.21 -0.07 0.00 1.54 0.00 0.00 36.73 38.44 2qzj h TYR 112 CO 0.04 0.39 0.14 0.00 -1.64 0.00 0.00 178.16 177.09 2qzj h ALA 113 N 1.20 0.63 -0.96 1.82 0.00 -1.37 0.21 119.26 120.79 2qzj h ALA 113 Ca 0.20 0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.27 2qzj h ALA 113 Cb -0.05 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 17.79 2qzj h ALA 113 CO -0.06 -0.27 0.62 0.87 0.00 0.00 0.00 179.25 180.41 2qzj h LYS 114 N 0.29 1.09 -0.52 0.00 1.79 -0.89 -0.68 116.57 117.65 2qzj h LYS 114 Ca 0.27 -0.07 -0.10 0.00 -2.18 0.00 0.00 60.65 58.58 2qzj h LYS 114 Cb 0.35 -0.25 -0.02 0.00 -1.58 0.00 0.00 32.23 30.74 2qzj h LYS 114 CO -0.32 0.72 -0.05 0.28 -1.08 0.00 0.00 179.45 178.99 2qzj h VAL 115 N 1.12 1.27 0.67 0.50 2.07 0.75 -0.66 116.25 121.97 2qzj h VAL 115 Ca 0.42 -1.18 -0.03 0.00 0.82 0.00 0.00 66.70 66.73 2qzj h VAL 115 Cb 0.17 0.97 0.01 0.00 -1.52 0.00 0.00 31.29 30.92 2qzj h VAL 115 CO -0.17 0.41 -0.32 0.11 0.02 0.00 0.00 177.57 177.62 2qzj h LYS 116 N 0.83 -0.86 -0.68 1.57 1.57 -0.21 -0.70 116.57 118.08 2qzj h LYS 116 Ca 0.14 0.06 0.15 0.00 -1.87 0.00 0.00 60.65 59.13 2qzj h LYS 116 Cb 0.60 0.20 -0.11 0.00 0.08 0.00 0.00 32.23 33.00 2qzj h LYS 116 CO 0.04 -0.56 0.07 0.00 -0.57 0.00 0.00 179.45 178.42 2qzj h ALA 117 N -0.62 0.77 -0.17 3.86 0.00 -1.07 0.73 119.26 122.75 2qzj h ALA 117 Ca -0.09 0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 2qzj h ALA 117 Cb 0.70 0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 2qzj h ALA 117 CO 0.15 -0.38 -0.09 0.82 0.00 0.00 0.00 179.25 179.75 2qzj h ILE 118 N 0.17 1.31 -0.26 0.00 2.04 -1.01 -0.52 117.51 119.25 2qzj h ILE 118 Ca 0.37 -1.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.07 2qzj h ILE 118 Cb 0.62 1.71 -0.01 0.00 -0.74 0.00 0.00 36.82 38.41 2qzj h ILE 118 CO -0.54 0.34 0.12 -0.07 0.00 0.00 0.00 178.15 178.00 2qzj h LEU 119 N 0.04 0.35 -0.43 1.44 3.38 -0.56 -2.68 115.31 116.85 2qzj h LEU 119 Ca 0.04 -0.14 0.09 0.00 0.09 0.00 0.00 57.88 57.95 2qzj h LEU 119 Cb 0.57 -0.09 -0.08 0.00 0.09 0.00 0.00 40.66 41.15 2qzj h LEU 119 CO 0.03 0.40 -0.13 -0.09 0.09 0.00 0.00 178.44 178.73 2qzj h ARG 120 N 0.29 -0.03 -0.13 1.13 2.43 0.50 -0.37 114.38 118.20 2qzj h ARG 120 Ca 0.09 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 2qzj h ARG 120 Cb 0.14 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 2qzj h ARG 120 CO -0.01 -0.02 0.00 -2.13 -1.51 0.00 0.00 179.97 176.30 2qzj n ARG 121 N -5.34 0.00 0.00 0.20 3.00 -0.21 -1.15 116.66 113.16 2qzj n ARG 121 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.88 2qzj n ARG 121 Cb 0.25 -0.98 0.00 0.00 0.00 0.00 0.00 32.46 31.73 2qzj n ARG 121 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 2qzj n ASN 123 N 0.48 0.00 0.00 6.15 3.02 -0.15 -5.10 115.26 119.66 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