#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qlx s ASP 0 N 0.00 2.59 0.00 1.61 -1.08 -1.26 -4.95 116.67 113.59 2qlx s ASP 0 Ca 0.00 0.76 0.00 0.00 -0.52 0.00 0.00 52.55 52.79 2qlx s ASP 0 Cb 0.00 -1.15 0.00 0.00 -1.46 0.00 0.00 42.92 40.31 2qlx s ASP 0 CO 0.00 -3.10 0.00 0.41 0.52 0.00 0.00 175.17 173.00 2qlx n THR 2 N -4.10 -0.48 -2.70 1.71 -1.04 -1.26 -0.92 114.28 105.50 2qlx n THR 2 Ca 0.10 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.71 2qlx n THR 2 Cb 0.59 -0.46 -0.06 0.00 -1.82 0.00 0.00 70.33 68.58 2qlx n THR 2 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2qlx s LEU 3 N -0.50 4.60 0.07 -4.42 1.43 -1.26 -1.15 118.68 117.45 2qlx s LEU 3 Ca 0.00 2.00 0.01 0.00 -1.03 0.00 0.00 54.13 55.11 2qlx s LEU 3 Cb 0.00 -3.66 -0.04 0.00 0.03 0.00 0.00 46.19 42.52 2qlx s LEU 3 CO 0.00 0.07 -0.06 -1.83 0.23 0.00 0.00 176.35 174.77 2qlx s GLU 4 N -1.32 0.71 0.06 1.70 -1.05 0.06 -4.92 118.70 113.93 2qlx s GLU 4 Ca 0.43 -1.19 -0.19 0.00 -0.15 0.00 0.00 54.97 53.86 2qlx s GLU 4 Cb -0.26 -0.09 -0.06 0.00 -0.44 0.00 0.00 34.13 33.27 2qlx s GLU 4 CO 0.33 -0.03 0.57 0.15 0.95 0.00 0.00 175.26 177.22 2qlx s LYS 5 N -3.44 4.21 -0.15 -4.83 -0.14 -1.26 -1.55 119.74 112.58 2qlx s LYS 5 Ca 0.06 0.73 0.00 0.00 -1.36 0.00 0.00 55.97 55.40 2qlx s LYS 5 Cb 0.03 -3.25 0.03 0.00 -1.68 0.00 0.00 37.83 32.96 2qlx s LYS 5 CO -0.05 0.61 -0.11 -1.58 -0.76 0.00 0.00 175.35 173.45 2qlx s HIS 6 N -0.99 2.00 0.15 3.18 5.65 0.91 -4.86 115.29 121.34 2qlx s HIS 6 Ca 0.29 -1.16 0.09 0.00 0.25 0.00 0.00 55.06 54.53 2qlx s HIS 6 Cb -0.19 -1.49 -0.04 0.00 -1.18 0.00 0.00 32.58 29.68 2qlx s HIS 6 CO 0.19 -0.64 -0.17 0.00 -0.65 0.00 0.00 174.74 173.47 2qlx s ALA 7 N 1.54 2.73 0.18 1.58 0.00 -1.26 -0.97 121.76 125.56 2qlx s ALA 7 Ca 0.03 -1.44 -0.16 0.00 0.00 0.00 0.00 51.96 50.39 2qlx s ALA 7 Cb -0.14 -0.62 0.02 0.00 0.00 0.00 0.00 23.12 22.39 2qlx s ALA 7 CO -0.09 0.53 0.48 -0.59 0.00 0.00 0.00 175.76 176.08 2qlx s PHE 8 N -1.40 -0.07 0.32 0.00 -0.12 -0.23 -1.19 117.98 115.30 2qlx s PHE 8 Ca 0.20 -0.27 0.09 0.00 -0.05 0.00 0.00 56.93 56.90 2qlx s PHE 8 Cb -0.10 0.32 -0.06 0.00 -0.63 0.00 0.00 43.02 42.55 2qlx s PHE 8 CO 0.12 -0.86 -0.08 -1.59 -0.05 0.00 0.00 175.22 172.75 2qlx s LYS 9 N -3.88 1.74 -0.24 1.99 -2.85 -0.05 -0.09 119.74 116.36 2qlx s LYS 9 Ca 0.09 -1.89 -0.11 0.00 -1.00 0.00 0.00 55.97 53.06 2qlx s LYS 9 Cb -0.00 -1.53 0.09 0.00 -2.06 0.00 0.00 37.83 34.33 2qlx s LYS 9 CO -0.04 0.10 0.56 -1.14 0.10 0.00 0.00 175.35 174.93 2qlx s GLN 11 N -3.65 0.52 0.02 1.78 2.00 -1.26 -1.97 119.66 117.10 2qlx s GLN 11 Ca 0.32 1.14 -0.13 0.00 -2.00 0.00 0.00 55.36 54.69 2qlx s GLN 11 Cb 0.03 0.33 -0.06 0.00 0.80 0.00 0.00 33.01 34.11 2qlx s GLN 11 CO 0.15 -0.19 0.40 -1.17 -0.50 0.00 0.00 175.29 173.99 2qlx s LEU 12 N 2.11 4.43 0.57 3.68 2.96 -0.31 -1.02 118.68 131.09 2qlx s LEU 12 Ca -0.07 0.90 -0.18 0.00 -0.22 0.00 0.00 54.13 54.57 2qlx s LEU 12 Cb -0.09 -2.71 -0.05 0.00 0.50 0.00 0.00 46.19 43.84 2qlx s LEU 12 CO -0.16 0.28 1.08 0.20 -1.32 0.00 0.00 176.35 176.42 2qlx s ASN 13 N -1.30 5.79 0.34 3.68 0.01 -0.48 -4.84 114.94 118.14 2qlx s ASN 13 Ca 0.27 1.96 -0.28 0.00 -0.71 0.00 0.00 52.86 54.09 2qlx s ASN 13 Cb -0.16 -2.55 -0.12 0.00 0.41 0.00 0.00 41.25 38.83 2qlx s ASN 13 CO 0.15 -1.16 1.37 -2.65 -1.51 0.00 0.00 177.10 173.29 2qlx n PRO 14 N -1.67 2.29 -1.11 -0.60 -0.02 -1.26 -4.66 135.00 127.97 2qlx n PRO 14 Ca 0.10 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.38 2qlx n PRO 14 Cb 0.52 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 2qlx n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qlx n GLY 15 N 0.89 0.79 0.71 -1.23 0.00 -1.26 -5.17 105.19 99.92 2qlx n GLY 15 Ca 0.05 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.65 2qlx n GLY 15 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2qlx n GLU 17 N -0.92 0.00 -0.22 1.61 2.13 -1.26 -4.83 120.64 117.14 2qlx n GLU 17 Ca 0.00 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.74 2qlx n GLU 17 Cb 0.34 0.00 0.03 0.00 0.27 0.00 0.00 31.44 32.08 2qlx n GLU 17 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2qlx h ALA 18 N 0.00 0.84 -0.14 4.31 0.00 -2.00 -0.81 119.26 121.46 2qlx h ALA 18 Ca 0.00 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 2qlx h ALA 18 Cb 0.00 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 2qlx h ALA 18 CO 0.00 0.62 -0.01 1.49 0.00 0.00 0.00 179.25 181.35 2qlx h GLU 19 N 0.97 0.26 -0.49 0.00 4.57 -1.99 -0.93 114.58 116.97 2qlx h GLU 19 Ca 0.19 -0.09 0.07 0.00 -1.18 0.00 0.00 59.36 58.35 2qlx h GLU 19 Cb 0.47 -0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 28.98 2qlx h GLU 19 CO 0.02 0.51 0.18 -0.92 -1.18 0.00 0.00 179.01 177.62 2qlx h TYR 20 N -0.02 0.31 -0.30 0.92 3.20 -1.91 0.86 116.97 120.02 2qlx h TYR 20 Ca 0.04 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.94 2qlx h TYR 20 Cb 0.40 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.59 2qlx h TYR 20 CO 0.04 0.10 0.20 -0.09 -1.64 0.00 0.00 178.16 176.77 2qlx h ARG 21 N 0.35 0.40 -0.67 1.82 2.43 -1.06 -2.28 114.38 115.37 2qlx h ARG 21 Ca 0.24 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.40 2qlx h ARG 21 Cb 0.25 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.67 2qlx h ARG 21 CO -0.24 0.27 0.43 -0.22 -1.51 0.00 0.00 179.97 178.70 2qlx h LYS 22 N 0.41 0.83 -0.44 0.20 3.11 -0.59 0.14 116.57 120.23 2qlx h LYS 22 Ca 0.11 -0.05 -0.09 0.00 -2.81 0.00 0.00 60.65 57.81 2qlx h LYS 22 Cb -0.04 -0.19 -0.02 0.00 -1.00 0.00 0.00 32.23 30.98 2qlx h LYS 22 CO -0.02 0.55 -0.10 0.00 -2.81 0.00 0.00 179.45 177.07 2qlx h ARG 23 N 0.86 0.78 -0.03 1.90 3.08 -0.67 -2.08 114.38 118.21 2qlx h ARG 23 Ca 0.26 -0.25 -0.14 0.00 0.07 0.00 0.00 59.98 59.92 2qlx h ARG 23 Cb -0.03 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 2qlx h ARG 23 CO -0.08 0.85 -0.62 0.45 -1.07 0.00 0.00 179.97 179.49 2qlx h HIS 24 N 0.71 0.17 -0.67 3.04 3.86 -1.12 -2.79 115.15 118.35 2qlx h HIS 24 Ca 0.12 -0.07 0.08 0.00 -1.16 0.00 0.00 60.37 59.35 2qlx h HIS 24 Cb 0.57 -0.03 -0.04 0.00 1.06 0.00 0.00 27.41 28.97 2qlx h HIS 24 CO 0.03 0.72 0.44 -0.44 0.86 0.00 0.00 177.93 179.54 2qlx h ASP 25 N 0.09 0.52 -0.83 2.45 3.32 -0.58 -2.32 116.42 119.07 2qlx h ASP 25 Ca -0.01 0.01 -0.34 0.00 0.02 0.00 0.00 57.03 56.71 2qlx h ASP 25 Cb 1.12 -0.10 -0.20 0.00 0.22 0.00 0.00 39.33 40.37 2qlx h ASP 25 CO 0.09 0.32 0.42 -0.62 -1.72 0.00 0.00 179.24 177.73 2qlx n GLU 26 N -4.48 3.03 -1.70 3.56 1.02 -0.82 -5.02 120.64 116.23 2qlx n GLU 26 Ca 0.10 -3.06 -0.43 0.00 -0.02 0.00 0.00 57.16 53.76 2qlx n GLU 26 Cb 0.31 -2.18 -0.01 0.00 -0.02 0.00 0.00 31.44 29.54 2qlx n GLU 26 CO 0.00 0.00 0.00 1.51 1.18 0.00 0.00 177.13 179.82 2qlx n ILE 27 N -0.62 1.95 -2.09 -3.67 3.06 -0.88 -4.88 119.36 112.23 2qlx n ILE 27 Ca 0.49 -0.49 -0.42 0.00 -2.50 0.00 0.00 62.75 59.83 2qlx n ILE 27 Cb 1.50 -1.58 -0.03 0.00 0.54 0.00 0.00 39.64 40.07 2qlx n ILE 27 CO 0.00 0.00 0.00 0.26 -2.50 0.00 0.00 176.55 174.31 2qlx s TRP 28 N -1.04 3.13 0.55 9.51 0.51 -1.26 -4.90 118.94 125.43 2qlx s TRP 28 Ca 0.56 0.82 0.21 0.00 -2.12 0.00 0.00 56.10 55.57 2qlx s TRP 28 Cb -0.57 -3.77 1.46 0.00 -0.81 0.00 0.00 33.47 29.79 2qlx s TRP 28 CO 0.62 -2.77 2.17 -1.00 -0.51 0.00 0.00 176.95 175.45 2qlx h PRO 29 N 6.93 0.00 0.00 4.98 0.13 -2.00 -0.51 132.00 141.53 2qlx h PRO 29 Ca -0.42 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.63 2qlx h PRO 29 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 2qlx h PRO 29 CO 0.88 0.00 -0.36 1.05 -0.23 0.00 0.00 178.00 179.34 2qlx h GLU 30 N 0.00 0.00 -0.02 0.86 9.09 -1.99 -1.36 114.58 121.16 2qlx h GLU 30 Ca 0.02 0.00 -0.26 0.00 0.05 0.00 0.00 59.36 59.18 2qlx h GLU 30 Cb 0.09 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 27.21 2qlx h GLU 30 CO -0.00 0.36 -1.00 1.25 0.05 0.00 0.00 179.01 179.68 2qlx h LEU 31 N 0.00 0.85 -0.31 3.06 5.85 -1.49 -2.02 115.31 121.25 2qlx h LEU 31 Ca -0.00 -0.67 0.04 0.00 0.84 0.00 0.00 57.88 58.09 2qlx h LEU 31 Cb 0.65 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.38 2qlx h LEU 31 CO 0.05 1.47 0.08 0.58 -0.34 0.00 0.00 178.44 180.28 2qlx h VAL 32 N 0.39 0.88 -0.30 1.05 2.07 -1.23 -0.48 116.25 118.63 2qlx h VAL 32 Ca -0.11 -0.07 0.05 0.00 0.82 0.00 0.00 66.70 67.39 2qlx h VAL 32 Cb 1.64 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 32.03 2qlx h VAL 32 CO 0.19 0.04 0.02 0.44 0.02 0.00 0.00 177.57 178.28 2qlx h ASP 33 N 0.20 -0.07 -0.44 0.57 3.32 -1.25 -0.74 116.42 118.00 2qlx h ASP 33 Ca 0.14 0.06 0.03 0.00 0.02 0.00 0.00 57.03 57.28 2qlx h ASP 33 Cb 0.13 0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.75 2qlx h ASP 33 CO -0.17 -0.00 0.24 0.25 -1.72 0.00 0.00 179.24 177.85 2qlx h LEU 34 N 0.12 0.38 -0.00 1.55 5.85 -1.12 0.13 115.31 122.21 2qlx h LEU 34 Ca 0.14 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.87 2qlx h LEU 34 Cb 0.17 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.14 2qlx h LEU 34 CO -0.22 0.27 0.00 -0.07 -0.34 0.00 0.00 178.44 178.08 2qlx h LEU 35 N 0.49 0.00 -0.43 2.25 3.38 -0.73 -1.05 115.31 119.22 2qlx h LEU 35 Ca 0.18 -0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.21 2qlx h LEU 35 Cb 0.05 -0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 2qlx h LEU 35 CO -0.11 0.01 0.11 0.45 0.09 0.00 0.00 178.44 178.99 2qlx h HIS 36 N -0.00 0.19 -0.55 1.13 3.86 -0.99 -1.46 115.15 117.33 2qlx h HIS 36 Ca 0.00 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 2qlx h HIS 36 Cb 0.01 -0.02 -0.03 0.00 1.06 0.00 0.00 27.41 28.43 2qlx h HIS 36 CO -0.08 0.04 0.35 1.96 0.86 0.00 0.00 177.93 181.06 2qlx h GLN 37 N 0.25 0.73 0.00 2.45 4.20 -0.54 -1.80 115.11 120.40 2qlx h GLN 37 Ca 0.21 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.87 2qlx h GLN 37 Cb 0.24 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.85 2qlx h GLN 37 CO -0.25 0.50 0.00 0.43 -0.67 0.00 0.00 178.83 178.84 2qlx n SER 38 N -4.44 0.62 0.00 1.46 7.64 -0.44 -4.87 113.62 113.60 2qlx n SER 38 Ca 0.05 0.61 0.00 0.00 1.01 0.00 0.00 58.87 60.54 2qlx n SER 38 Cb 0.06 -0.76 0.00 0.00 -1.01 0.00 0.00 64.21 62.50 2qlx n SER 38 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qlx n GLY 39 N 0.61 0.90 3.75 0.23 0.00 -0.67 -0.72 105.19 109.28 2qlx n GLY 39 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 2qlx n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qlx s ALA 40 N -2.00 3.37 0.16 4.61 0.00 -0.63 -3.95 121.76 123.32 2qlx s ALA 40 Ca 0.00 0.31 -0.10 0.00 0.00 0.00 0.00 51.96 52.17 2qlx s ALA 40 Cb 0.00 -3.01 -0.00 0.00 0.00 0.00 0.00 23.12 20.11 2qlx s ALA 40 CO 0.00 0.09 0.30 -1.54 0.00 0.00 0.00 175.76 174.61 2qlx s SER 41 N -0.18 0.01 -1.31 0.00 1.04 -0.40 -3.79 113.70 109.06 2qlx s SER 41 Ca 0.39 -0.81 -0.07 0.00 0.48 0.00 0.00 55.95 55.94 2qlx s SER 41 Cb -0.21 0.44 -0.00 0.00 0.10 0.00 0.00 66.02 66.35 2qlx s SER 41 CO 0.24 -0.89 0.56 -0.67 0.98 0.00 0.00 173.24 173.46 2qlx n ASP 42 N -0.21 -1.94 -4.60 7.02 2.03 -1.26 -0.99 116.55 116.60 2qlx n ASP 42 Ca -0.08 -1.00 -0.38 0.00 0.52 0.00 0.00 54.79 53.85 2qlx n ASP 42 Cb 0.63 -3.23 -0.10 0.00 -0.72 0.00 0.00 41.12 37.69 2qlx n ASP 42 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 2qlx s TYR 43 N -3.77 3.24 0.09 -0.67 5.04 -1.26 -4.23 117.35 115.79 2qlx s TYR 43 Ca 0.15 0.27 0.05 0.00 -2.44 0.00 0.00 57.07 55.10 2qlx s TYR 43 Cb -0.06 -2.46 -0.03 0.00 0.35 0.00 0.00 41.96 39.76 2qlx s TYR 43 CO 0.87 -0.17 -0.13 -1.54 -1.34 0.00 0.00 175.55 173.24 2qlx s SER 44 N 1.64 1.68 -0.02 4.32 1.04 -0.24 -4.99 113.70 117.13 2qlx s SER 44 Ca 0.11 -0.70 0.03 0.00 0.48 0.00 0.00 55.95 55.87 2qlx s SER 44 Cb -0.16 -0.04 0.00 0.00 0.10 0.00 0.00 66.02 65.92 2qlx s SER 44 CO 0.10 -0.13 -0.09 -0.63 0.98 0.00 0.00 173.24 173.47 2qlx s ILE 45 N -1.71 0.78 0.01 -1.02 1.01 -1.26 -1.08 121.20 117.92 2qlx s ILE 45 Ca 0.02 -0.37 0.03 0.00 0.00 0.00 0.00 60.65 60.32 2qlx s ILE 45 Cb -0.07 -0.68 -0.01 0.00 0.01 0.00 0.00 42.46 41.70 2qlx s ILE 45 CO 0.02 0.24 -0.09 -1.00 0.00 0.00 0.00 174.94 174.10 2qlx s HIS 46 N 0.09 0.82 -0.12 3.97 3.76 -0.24 -4.97 115.29 118.60 2qlx s HIS 46 Ca -0.01 -0.25 -0.03 0.00 -0.15 0.00 0.00 55.06 54.62 2qlx s HIS 46 Cb -0.07 -0.51 -0.03 0.00 1.11 0.00 0.00 32.58 33.08 2qlx s HIS 46 CO 0.00 -0.01 -0.02 -1.17 -0.85 0.00 0.00 174.74 172.69 2qlx s LEU 47 N -0.65 3.39 -0.56 0.89 2.96 -1.26 -0.06 118.68 123.39 2qlx s LEU 47 Ca 0.00 -0.00 -0.21 0.00 -0.22 0.00 0.00 54.13 53.70 2qlx s LEU 47 Cb -0.05 -1.79 0.07 0.00 0.50 0.00 0.00 46.19 44.91 2qlx s LEU 47 CO 0.00 0.27 0.77 -0.62 -1.32 0.00 0.00 176.35 175.46 2qlx s ASP 48 N -0.26 6.23 0.43 3.68 2.15 0.18 -4.95 116.67 124.12 2qlx s ASP 48 Ca 0.05 -0.94 0.13 0.00 0.43 0.00 0.00 52.55 52.23 2qlx s ASP 48 Cb -0.13 -2.35 0.93 0.00 -0.30 0.00 0.00 42.92 41.08 2qlx s ASP 48 CO 0.02 -1.11 1.96 0.03 -0.17 0.00 0.00 175.17 175.90 2qlx h ARG 49 N 9.21 0.04 -0.85 4.34 3.08 -1.96 0.20 114.38 128.44 2qlx h ARG 49 Ca -0.28 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 59.74 2qlx h ARG 49 Cb 1.08 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.09 2qlx h ARG 49 CO 1.06 0.24 0.45 0.93 -1.07 0.00 0.00 179.97 181.58 2qlx h GLU 50 N 0.03 1.19 -0.00 0.04 5.08 -1.97 -3.29 114.58 115.67 2qlx h GLU 50 Ca 0.01 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 2qlx h GLU 50 Cb 0.38 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.40 2qlx h GLU 50 CO 0.03 0.88 -0.27 0.25 -1.00 0.00 0.00 179.01 178.90 2qlx n THR 51 N -4.33 0.00 -1.35 1.13 -2.24 -1.05 -4.99 114.28 101.45 2qlx n THR 51 Ca 0.09 -0.36 -0.13 0.00 -2.27 0.00 0.00 64.05 61.37 2qlx n THR 51 Cb 0.11 1.06 -0.06 0.00 -2.10 0.00 0.00 70.33 69.34 2qlx n THR 51 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2qlx n ASN 52 N -0.65 -4.49 -4.75 3.42 5.03 0.68 -4.95 115.26 109.56 2qlx n ASN 52 Ca 0.03 0.33 -0.41 0.00 0.87 0.00 0.00 54.58 55.40 2qlx n ASN 52 Cb 0.17 -3.77 -0.04 0.00 -1.02 0.00 0.00 39.78 35.12 2qlx n ASN 52 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 2qlx s THR 53 N -2.10 3.52 -0.15 3.41 2.01 -1.23 -1.16 115.64 119.95 2qlx s THR 53 Ca 0.00 1.38 -0.05 0.00 0.31 0.00 0.00 61.69 63.33 2qlx s THR 53 Cb 0.00 -3.88 -0.04 0.00 0.01 0.00 0.00 72.50 68.60 2qlx s THR 53 CO 0.00 0.27 0.03 -0.76 -0.69 0.00 0.00 174.62 173.46 2qlx s LEU 54 N -0.75 3.66 -0.24 4.42 1.43 -1.26 -0.65 118.68 125.30 2qlx s LEU 54 Ca 0.49 0.07 -0.03 0.00 -1.03 0.00 0.00 54.13 53.64 2qlx s LEU 54 Cb -0.32 -1.89 0.01 0.00 0.03 0.00 0.00 46.19 44.02 2qlx s LEU 54 CO 0.39 0.24 -0.06 -0.36 0.23 0.00 0.00 176.35 176.79 2qlx s PHE 55 N -0.03 3.01 -0.02 0.29 0.08 0.92 -4.26 117.98 117.97 2qlx s PHE 55 Ca 0.05 -1.31 0.01 0.00 0.12 0.00 0.00 56.93 55.79 2qlx s PHE 55 Cb -0.12 -2.08 -0.04 0.00 -0.57 0.00 0.00 43.02 40.21 2qlx s PHE 55 CO 0.02 -0.66 0.01 0.20 -0.10 0.00 0.00 175.22 174.68 2qlx s GLY 56 N 1.39 1.89 -0.11 4.36 0.00 0.87 -1.08 107.32 114.63 2qlx s GLY 56 Ca 0.03 -0.92 -0.09 0.00 0.00 0.00 0.00 44.72 43.74 2qlx s GLY 56 CO -0.04 -0.77 0.28 0.54 0.00 0.00 0.00 173.10 173.11 2qlx s VAL 57 N -1.06 -0.01 0.17 1.40 0.11 -0.24 -1.07 120.40 119.69 2qlx s VAL 57 Ca 0.19 0.04 -0.11 0.00 -2.93 0.00 0.00 61.98 59.17 2qlx s VAL 57 Cb -0.12 -0.41 0.00 0.00 -1.53 0.00 0.00 36.38 34.32 2qlx s VAL 57 CO 0.09 0.02 0.34 -1.48 -3.33 0.00 0.00 175.10 170.73 2qlx s LEU 58 N 0.49 0.77 -0.09 2.54 0.05 -0.15 -1.07 118.68 121.22 2qlx s LEU 58 Ca -0.03 -0.77 -0.02 0.00 0.05 0.00 0.00 54.13 53.36 2qlx s LEU 58 Cb -0.04 1.41 -0.03 0.00 -2.05 0.00 0.00 46.19 45.47 2qlx s LEU 58 CO -0.03 -0.93 -0.01 -0.89 -0.55 0.00 0.00 176.35 173.95 2qlx s THR 59 N -3.94 4.24 0.07 5.48 2.01 -0.16 -0.06 115.64 123.27 2qlx s THR 59 Ca 0.15 -0.27 -0.18 0.00 0.31 0.00 0.00 61.69 61.70 2qlx s THR 59 Cb 0.02 -2.78 0.04 0.00 0.01 0.00 0.00 72.50 69.79 2qlx s THR 59 CO -0.01 0.60 0.42 0.00 -0.69 0.00 0.00 174.62 174.93 2qlx s ARG 60 N -0.78 0.97 0.53 4.92 1.70 -0.59 -1.28 118.95 124.42 2qlx s ARG 60 Ca 0.12 -0.45 -0.20 0.00 -0.47 0.00 0.00 55.73 54.73 2qlx s ARG 60 Cb -0.11 0.43 -0.06 0.00 -0.57 0.00 0.00 34.95 34.64 2qlx s ARG 60 CO 0.02 -0.35 1.16 -1.25 -1.08 0.00 0.00 175.30 173.81 2qlx s PRO 61 N -2.83 3.39 0.35 3.89 0.04 -1.26 -0.76 135.00 137.83 2qlx s PRO 61 Ca -0.03 1.72 0.09 0.00 0.04 0.00 0.00 61.00 62.82 2qlx s PRO 61 Cb -0.00 -2.11 0.81 0.00 0.04 0.00 0.00 34.50 33.24 2qlx s PRO 61 CO -0.05 -0.84 1.85 0.87 0.04 0.00 0.00 177.00 178.87 2qlx h LYS 62 N 1.39 0.68 -1.13 4.56 1.57 -1.13 -1.87 116.57 120.64 2qlx h LYS 62 Ca -0.50 -0.04 -0.33 0.00 -1.87 0.00 0.00 60.65 57.91 2qlx h LYS 62 Cb 1.27 -0.15 -0.18 0.00 0.08 0.00 0.00 32.23 33.25 2qlx h LYS 62 CO 0.58 0.45 0.43 -0.25 -0.57 0.00 0.00 179.45 180.08 2qlx n ASP 63 N -4.60 4.49 -4.63 0.86 9.92 -0.09 -5.01 116.55 117.49 2qlx n ASP 63 Ca 0.19 -3.03 -0.29 0.00 -0.53 0.00 0.00 54.79 51.13 2qlx n ASP 63 Cb 0.51 -0.81 0.19 0.00 -0.64 0.00 0.00 41.12 40.37 2qlx n ASP 63 CO 0.00 0.00 0.00 -1.38 0.13 0.00 0.00 177.20 175.95 2qlx s HIS 64 N -2.03 1.87 -0.34 1.24 -3.43 -0.70 -5.03 115.29 106.86 2qlx s HIS 64 Ca 0.35 1.25 -0.02 0.00 -0.80 0.00 0.00 55.06 55.85 2qlx s HIS 64 Cb 0.29 -3.18 0.08 0.00 -1.43 0.00 0.00 32.58 28.33 2qlx s HIS 64 CO 0.04 -3.02 0.08 0.95 -2.00 0.00 0.00 174.74 170.79 2qlx s THR 65 N -2.75 3.06 0.00 -5.38 -4.23 0.10 -5.02 115.64 101.42 2qlx s THR 65 Ca 0.66 -1.70 0.00 0.00 -1.18 0.00 0.00 61.69 59.46 2qlx s THR 65 Cb -0.21 -2.93 0.00 0.00 1.34 0.00 0.00 72.50 70.70 2qlx s THR 65 CO 0.60 -0.37 0.00 0.00 -0.54 0.00 0.00 174.62 174.31 2qlx n ALA 67 N 4.59 0.00 1.11 3.99 0.00 -1.26 -3.85 120.51 125.09 2qlx n ALA 67 Ca -0.08 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.49 2qlx n ALA 67 Cb 0.43 0.00 0.37 0.00 0.00 0.00 0.00 19.45 20.24 2qlx n ALA 67 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2qlx n SER 68 N 0.00 0.56 -0.36 0.00 3.41 -1.26 -4.35 113.62 111.62 2qlx n SER 68 Ca 0.00 -0.35 0.04 0.00 -0.26 0.00 0.00 58.87 58.30 2qlx n SER 68 Cb 0.00 0.09 0.20 0.00 -0.26 0.00 0.00 64.21 64.24 2qlx n SER 68 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2qlx h LEU 69 N 0.36 0.97 -1.84 1.04 3.38 -1.98 -1.63 115.31 115.60 2qlx h LEU 69 Ca 0.00 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2qlx h LEU 69 Cb 0.48 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2qlx h LEU 69 CO 0.00 0.57 0.05 -0.65 0.09 0.00 0.00 178.44 178.50 2qlx h PRO 70 N 1.08 0.00 -0.02 1.13 0.11 -1.96 -0.63 132.00 131.71 2qlx h PRO 70 Ca 0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.57 2qlx h PRO 70 Cb 0.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.42 2qlx h PRO 70 CO -0.22 0.00 -0.29 -0.25 -0.21 0.00 0.00 178.00 177.03 2qlx n ASP 71 N -2.50 2.09 -4.73 -2.05 8.00 -0.61 -4.72 116.55 112.02 2qlx n ASP 71 Ca -0.02 -1.54 -0.40 0.00 0.71 0.00 0.00 54.79 53.54 2qlx n ASP 71 Cb 0.09 0.27 -0.05 0.00 -0.02 0.00 0.00 41.12 41.42 2qlx n ASP 71 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 2qlx s HIS 72 N -2.33 3.65 0.27 1.24 2.46 -0.24 -4.98 115.29 115.36 2qlx s HIS 72 Ca 0.23 1.40 -0.00 0.00 0.47 0.00 0.00 55.06 57.15 2qlx s HIS 72 Cb 0.19 -2.85 0.50 0.00 -0.13 0.00 0.00 32.58 30.29 2qlx s HIS 72 CO 0.48 0.15 1.84 -1.35 -2.47 0.00 0.00 174.74 173.40 2qlx h PRO 73 N 6.31 0.98 -0.78 2.88 0.11 -1.91 -1.95 132.00 137.64 2qlx h PRO 73 Ca -0.42 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2qlx h PRO 73 Cb 1.20 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.09 2qlx h PRO 73 CO 0.73 0.65 0.00 0.28 -0.21 0.00 0.00 178.00 179.45 2qlx n VAL 74 N -4.61 0.02 0.00 3.15 0.31 -1.26 -0.79 118.33 115.14 2qlx n VAL 74 Ca 0.17 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.50 2qlx n VAL 74 Cb 0.31 -0.22 0.00 0.00 -0.91 0.00 0.00 33.84 33.02 2qlx n VAL 74 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2qlx n LYS 76 N 0.67 0.00 -0.26 5.55 5.02 -0.73 -1.16 118.16 127.25 2qlx n LYS 76 Ca 0.00 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.24 2qlx n LYS 76 Cb 0.02 0.00 0.06 0.00 -0.02 0.00 0.00 35.03 35.08 2qlx n LYS 76 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2qlx h LYS 77 N 0.00 0.95 -0.48 1.97 1.57 -1.23 -0.93 116.57 118.42 2qlx h LYS 77 Ca 0.00 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 2qlx h LYS 77 Cb 0.00 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.07 2qlx h LYS 77 CO 0.00 0.63 0.25 2.35 -0.57 0.00 0.00 179.45 182.11 2qlx h TRP 78 N 0.98 0.68 -0.80 -1.35 2.91 -1.39 -1.26 115.95 115.72 2qlx h TRP 78 Ca 0.26 -0.02 -0.04 0.00 1.13 0.00 0.00 58.89 60.22 2qlx h TRP 78 Cb -0.11 -0.21 -0.04 0.00 -0.51 0.00 0.00 29.16 28.29 2qlx h TRP 78 CO -0.02 0.52 0.36 -1.49 -1.03 0.00 0.00 178.44 176.78 2qlx h TRP 79 N 0.64 1.17 -0.87 2.65 6.55 -1.80 -2.52 115.95 121.77 2qlx h TRP 79 Ca 0.17 -0.07 -0.02 0.00 0.95 0.00 0.00 58.89 59.93 2qlx h TRP 79 Cb 0.08 -0.36 -0.04 0.00 -0.86 0.00 0.00 29.16 27.98 2qlx h TRP 79 CO -0.01 0.86 0.48 0.00 -1.05 0.00 0.00 178.44 178.72 2qlx h ALA 80 N 1.24 1.12 0.00 1.49 0.00 -0.82 -1.62 119.26 120.67 2qlx h ALA 80 Ca 0.27 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2qlx h ALA 80 Cb 0.15 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.60 2qlx h ALA 80 CO -0.03 0.62 0.00 1.58 0.00 0.00 0.00 179.25 181.42 2qlx n HIS 81 N -4.36 0.00 0.00 0.00 -0.00 -0.51 -4.58 115.22 105.77 2qlx n HIS 81 Ca 0.09 -0.02 0.00 0.00 -0.00 0.00 0.00 57.72 57.79 2qlx n HIS 81 Cb 0.09 -0.04 0.00 0.00 -0.00 0.00 0.00 29.99 30.04 2qlx n HIS 81 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2qlx n ALA 83 N 0.50 0.00 0.31 1.57 0.00 -0.61 -4.87 120.51 117.41 2qlx n ALA 83 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 2qlx n ALA 83 Cb 0.06 0.00 0.39 0.00 0.00 0.00 0.00 19.45 19.90 2qlx n ALA 83 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 2qlx h ASP 84 N 0.00 0.00 -0.31 0.00 2.03 -1.88 -3.44 116.42 112.82 2qlx h ASP 84 Ca 0.00 0.00 -0.15 0.00 -0.73 0.00 0.00 57.03 56.15 2qlx h ASP 84 Cb 0.00 0.00 -0.09 0.00 -0.83 0.00 0.00 39.33 38.41 2qlx h ASP 84 CO 0.00 0.00 -0.11 2.30 -1.03 0.00 0.00 179.24 180.40 2qlx n ILE 85 N -2.90 2.50 -3.29 4.15 -5.35 -1.26 -5.02 119.36 108.19 2qlx n ILE 85 Ca 0.03 -2.75 -0.40 0.00 -0.27 0.00 0.00 62.75 59.36 2qlx n ILE 85 Cb 0.42 -0.31 -0.08 0.00 -1.74 0.00 0.00 39.64 37.93 2qlx n ILE 85 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2qlx s ALA 87 N -3.22 3.55 0.10 -1.28 0.00 -0.19 -1.38 121.76 119.33 2qlx s ALA 87 Ca 0.44 -0.79 0.06 0.00 0.00 0.00 0.00 51.96 51.66 2qlx s ALA 87 Cb 0.40 -2.86 -0.03 0.00 0.00 0.00 0.00 23.12 20.62 2qlx s ALA 87 CO -0.00 -0.84 -0.15 0.95 0.00 0.00 0.00 175.76 175.71 2qlx s THR 88 N 2.24 1.30 0.78 0.00 -4.23 -1.26 -1.49 115.64 112.99 2qlx s THR 88 Ca 0.18 -1.54 -0.11 0.00 -1.18 0.00 0.00 61.69 59.04 2qlx s THR 88 Cb -0.16 -1.36 0.06 0.00 1.34 0.00 0.00 72.50 72.38 2qlx s THR 88 CO 0.10 -0.30 1.10 0.20 -0.54 0.00 0.00 174.62 175.19 2qlx s ASN 89 N -2.11 4.65 0.44 3.99 0.01 0.11 -4.77 114.94 117.26 2qlx s ASN 89 Ca 0.04 1.26 0.23 0.00 -0.71 0.00 0.00 52.86 53.68 2qlx s ASN 89 Cb -0.07 -2.00 1.22 0.00 0.41 0.00 0.00 41.25 40.81 2qlx s ASN 89 CO 0.03 -1.86 1.80 -0.65 -1.51 0.00 0.00 177.10 174.91 2qlx h PRO 90 N -1.02 0.28 -0.09 -0.60 0.11 -2.02 0.21 132.00 128.88 2qlx h PRO 90 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2qlx h PRO 90 Cb 1.27 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2qlx h PRO 90 CO 0.60 0.18 0.00 -0.40 -0.21 0.00 0.00 178.00 178.18 2qlx n ASP 91 N -4.49 0.65 0.00 -2.05 5.68 -1.26 -4.88 116.55 110.19 2qlx n ASP 91 Ca 0.24 -1.70 0.00 0.00 -0.50 0.00 0.00 54.79 52.83 2qlx n ASP 91 Cb 0.92 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.85 2qlx n ASP 91 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 2qlx n ASN 92 N -0.28 0.00 -4.76 -1.12 3.02 0.73 -4.93 115.26 107.92 2qlx n ASN 92 Ca 0.11 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.28 2qlx n ASN 92 Cb 0.14 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.32 2qlx n ASN 92 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2qlx s SER 93 N -3.46 5.83 0.48 6.41 1.04 -1.26 -4.61 113.70 118.13 2qlx s SER 93 Ca 0.00 2.49 -0.23 0.00 0.48 0.00 0.00 55.95 58.69 2qlx s SER 93 Cb 0.00 -2.62 -0.07 0.00 0.10 0.00 0.00 66.02 63.44 2qlx s SER 93 CO 0.00 -1.16 1.25 -2.84 0.98 0.00 0.00 173.24 171.47 2qlx s PRO 94 N -2.77 3.61 -0.13 4.02 0.02 -1.26 0.06 135.00 138.55 2qlx s PRO 94 Ca 0.66 1.98 -0.29 0.00 0.02 0.00 0.00 61.00 63.37 2qlx s PRO 94 Cb -0.33 -2.43 -0.04 0.00 0.02 0.00 0.00 34.50 31.72 2qlx s PRO 94 CO 0.40 -0.73 1.60 0.08 -0.33 0.00 0.00 177.00 178.02 2qlx s VAL 95 N -1.42 3.70 -0.05 3.83 1.01 -0.56 -4.67 120.40 122.25 2qlx s VAL 95 Ca 0.65 0.82 -0.07 0.00 0.00 0.00 0.00 61.98 63.37 2qlx s VAL 95 Cb -0.34 -3.61 0.01 0.00 0.00 0.00 0.00 36.38 32.45 2qlx s VAL 95 CO 0.41 -0.16 0.18 -1.58 0.00 0.00 0.00 175.10 173.96 2qlx s GLN 96 N 4.26 0.33 0.03 2.72 0.74 -1.26 -4.20 119.66 122.28 2qlx s GLN 96 Ca 0.71 0.04 0.05 0.00 0.05 0.00 0.00 55.36 56.21 2qlx s GLN 96 Cb -0.29 0.15 -0.02 0.00 1.10 0.00 0.00 33.01 33.95 2qlx s GLN 96 CO 0.28 -0.06 -0.15 -1.12 -0.55 0.00 0.00 175.29 173.68 2qlx s SER 97 N -0.42 1.80 0.46 6.67 0.01 -0.83 -4.98 113.70 116.40 2qlx s SER 97 Ca -0.05 -0.44 -0.22 0.00 1.31 0.00 0.00 55.95 56.55 2qlx s SER 97 Cb -0.03 -0.14 -0.08 0.00 0.21 0.00 0.00 66.02 65.98 2qlx s SER 97 CO 0.01 0.08 1.05 -1.81 0.41 0.00 0.00 173.24 172.98 2qlx s ASP 98 N -1.02 6.45 0.27 2.44 1.01 -1.26 -0.87 116.67 123.69 2qlx s ASP 98 Ca 0.03 2.00 0.07 0.00 0.71 0.00 0.00 52.55 55.36 2qlx s ASP 98 Cb -0.08 -2.57 -0.03 0.00 1.01 0.00 0.00 42.92 41.25 2qlx s ASP 98 CO 0.01 -0.71 0.26 -0.76 0.21 0.00 0.00 175.17 174.18 2qlx s LEU 99 N -3.18 3.85 -0.22 1.23 1.43 -0.33 -4.86 118.68 116.60 2qlx s LEU 99 Ca 0.64 -0.25 -0.07 0.00 -1.03 0.00 0.00 54.13 53.42 2qlx s LEU 99 Cb -0.19 -2.41 -0.03 0.00 0.03 0.00 0.00 46.19 43.58 2qlx s LEU 99 CO 0.24 -0.13 0.06 -0.69 0.23 0.00 0.00 176.35 176.05 2qlx s VAL 100 N -2.15 4.42 -0.12 -1.59 1.01 -1.26 -4.52 120.40 116.18 2qlx s VAL 100 Ca 0.35 -0.15 -0.29 0.00 0.00 0.00 0.00 61.98 61.89 2qlx s VAL 100 Cb -0.08 -3.03 -0.03 0.00 0.00 0.00 0.00 36.38 33.25 2qlx s VAL 100 CO 0.26 0.39 1.32 -0.89 0.00 0.00 0.00 175.10 176.18 2qlx s THR 101 N 1.10 4.13 -0.49 3.92 2.01 -1.26 -4.90 115.64 120.15 2qlx s THR 101 Ca 0.04 1.39 0.11 0.00 0.31 0.00 0.00 61.69 63.54 2qlx s THR 101 Cb -0.14 -3.90 -0.12 0.00 0.01 0.00 0.00 72.50 68.35 2qlx s THR 101 CO 0.03 -0.09 0.45 0.18 -0.69 0.00 0.00 174.62 174.50 2qlx n LEU 102 N 6.37 0.49 -3.62 4.42 4.77 -1.26 -5.02 117.00 123.14 2qlx n LEU 102 Ca 0.14 -0.47 -0.12 0.00 -0.03 0.00 0.00 56.01 55.53 2qlx n LEU 102 Cb 0.45 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.47 2qlx n LEU 102 CO 0.57 0.12 0.58 0.12 -1.33 0.00 0.00 177.39 177.45 2qlx s PHE 103 N -2.07 -0.61 0.19 -1.77 5.36 -1.26 -5.30 117.98 112.51 2qlx s PHE 103 Ca 0.04 1.44 -0.01 0.00 -0.96 0.00 0.00 56.93 57.43 2qlx s PHE 103 Cb 0.08 0.33 0.00 0.00 -0.34 0.00 0.00 43.02 43.10 2qlx s PHE 103 CO 0.45 -0.34 0.26 1.58 -1.46 0.00 0.00 175.22 175.71 2qlx n HIS 104 N 2.18 -0.96 0.19 10.12 -0.00 -1.26 -5.11 115.22 120.37 2qlx n HIS 104 Ca -0.14 -1.26 0.02 0.00 -0.00 0.00 0.00 57.72 56.34 2qlx n HIS 104 Cb 0.56 0.29 0.02 0.00 -0.00 0.00 0.00 29.99 30.86 2qlx n HIS 104 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04