#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qlw s ASP 0 N 0.00 3.77 0.00 1.61 -1.08 -1.26 -4.97 116.67 114.75 2qlw s ASP 0 Ca 0.00 0.59 0.00 0.00 -0.52 0.00 0.00 52.55 52.62 2qlw s ASP 0 Cb 0.00 -0.90 0.00 0.00 -1.46 0.00 0.00 42.92 40.56 2qlw s ASP 0 CO 0.00 -2.35 0.00 0.41 0.52 0.00 0.00 175.17 173.75 2qlw n THR 2 N -3.57 -0.65 -2.68 1.71 -1.04 -1.26 -1.32 114.28 105.46 2qlw n THR 2 Ca 0.11 0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.73 2qlw n THR 2 Cb 0.60 -0.65 -0.06 0.00 -1.82 0.00 0.00 70.33 68.41 2qlw n THR 2 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2qlw s LEU 3 N -0.54 4.52 0.09 -4.42 1.43 -1.26 -0.67 118.68 117.83 2qlw s LEU 3 Ca 0.00 2.00 0.01 0.00 -1.03 0.00 0.00 54.13 55.11 2qlw s LEU 3 Cb 0.00 -3.76 -0.04 0.00 0.03 0.00 0.00 46.19 42.42 2qlw s LEU 3 CO 0.00 -0.01 -0.06 -1.83 0.23 0.00 0.00 176.35 174.68 2qlw s GLU 4 N -1.55 0.79 0.16 1.70 -1.05 0.15 -4.92 118.70 113.98 2qlw s GLU 4 Ca 0.45 -1.30 -0.14 0.00 -0.15 0.00 0.00 54.97 53.84 2qlw s GLU 4 Cb -0.25 -0.14 -0.07 0.00 -0.44 0.00 0.00 34.13 33.23 2qlw s GLU 4 CO 0.32 -0.03 0.55 0.15 0.95 0.00 0.00 175.26 177.19 2qlw s LYS 5 N -3.77 3.95 -0.08 -4.83 -0.14 -1.26 -1.29 119.74 112.32 2qlw s LYS 5 Ca 0.10 0.46 -0.01 0.00 -1.36 0.00 0.00 55.97 55.16 2qlw s LYS 5 Cb 0.05 -2.89 0.03 0.00 -1.68 0.00 0.00 37.83 33.34 2qlw s LYS 5 CO -0.05 0.46 -0.03 -1.58 -0.76 0.00 0.00 175.35 173.38 2qlw s HIS 6 N -1.51 0.91 0.19 3.18 5.65 0.27 -4.87 115.29 119.10 2qlw s HIS 6 Ca 0.39 -0.33 0.11 0.00 0.25 0.00 0.00 55.06 55.48 2qlw s HIS 6 Cb -0.14 -0.89 -0.04 0.00 -1.18 0.00 0.00 32.58 30.32 2qlw s HIS 6 CO 0.19 -0.35 -0.23 0.00 -0.65 0.00 0.00 174.74 173.71 2qlw s ALA 7 N 1.68 2.44 0.17 1.58 0.00 -1.26 -1.05 121.76 125.32 2qlw s ALA 7 Ca 0.02 -1.62 -0.21 0.00 0.00 0.00 0.00 51.96 50.14 2qlw s ALA 7 Cb -0.13 -0.30 0.06 0.00 0.00 0.00 0.00 23.12 22.75 2qlw s ALA 7 CO -0.05 0.38 0.57 -0.59 0.00 0.00 0.00 175.76 176.08 2qlw s PHE 8 N -1.79 -0.42 0.38 0.00 -0.12 -0.43 -1.25 117.98 114.34 2qlw s PHE 8 Ca 0.20 0.16 0.08 0.00 -0.05 0.00 0.00 56.93 57.33 2qlw s PHE 8 Cb -0.07 0.51 -0.07 0.00 -0.63 0.00 0.00 43.02 42.76 2qlw s PHE 8 CO 0.09 -0.86 -0.01 -1.59 -0.05 0.00 0.00 175.22 172.80 2qlw s LYS 9 N -3.78 1.95 -0.20 1.99 -2.85 0.16 -0.65 119.74 116.35 2qlw s LYS 9 Ca 0.03 -1.98 -0.08 0.00 -1.00 0.00 0.00 55.97 52.94 2qlw s LYS 9 Cb -0.01 -1.73 0.08 0.00 -2.06 0.00 0.00 37.83 34.11 2qlw s LYS 9 CO -0.10 0.04 0.45 -1.14 0.10 0.00 0.00 175.35 174.70 2qlw s GLN 11 N -3.69 0.39 0.03 1.78 2.00 -1.26 -1.64 119.66 117.27 2qlw s GLN 11 Ca 0.35 1.02 -0.15 0.00 -2.00 0.00 0.00 55.36 54.57 2qlw s GLN 11 Cb 0.05 0.27 -0.06 0.00 0.80 0.00 0.00 33.01 34.07 2qlw s GLN 11 CO 0.18 -0.21 0.45 -1.17 -0.50 0.00 0.00 175.29 174.04 2qlw s LEU 12 N 2.23 4.47 0.59 3.68 2.96 -0.25 -1.26 118.68 131.09 2qlw s LEU 12 Ca -0.05 1.02 -0.18 0.00 -0.22 0.00 0.00 54.13 54.71 2qlw s LEU 12 Cb -0.11 -2.73 -0.04 0.00 0.50 0.00 0.00 46.19 43.82 2qlw s LEU 12 CO -0.14 0.29 1.14 0.20 -1.32 0.00 0.00 176.35 176.52 2qlw s ASN 13 N -1.18 5.44 0.32 3.68 0.01 -0.53 -4.84 114.94 117.84 2qlw s ASN 13 Ca 0.26 2.16 -0.29 0.00 -0.71 0.00 0.00 52.86 54.29 2qlw s ASN 13 Cb -0.17 -2.58 -0.12 0.00 0.41 0.00 0.00 41.25 38.79 2qlw s ASN 13 CO 0.15 -1.41 1.41 -2.65 -1.51 0.00 0.00 177.10 173.09 2qlw n PRO 14 N -1.68 2.32 -1.00 -0.60 -0.02 -1.26 -4.67 135.00 128.08 2qlw n PRO 14 Ca 0.12 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.41 2qlw n PRO 14 Cb 0.51 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 2qlw n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qlw n GLY 15 N 1.26 0.81 1.50 -1.23 0.00 -1.26 -5.18 105.19 101.09 2qlw n GLY 15 Ca 0.06 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.64 2qlw n GLY 15 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2qlw n GLU 17 N -0.85 0.00 -0.21 1.61 2.13 -1.26 -4.83 120.64 117.23 2qlw n GLU 17 Ca 0.00 0.00 -0.07 0.00 0.66 0.00 0.00 57.16 57.75 2qlw n GLU 17 Cb 0.31 0.00 0.03 0.00 0.27 0.00 0.00 31.44 32.05 2qlw n GLU 17 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2qlw h ALA 18 N 0.00 0.77 -0.45 4.31 0.00 -2.00 -0.82 119.26 121.06 2qlw h ALA 18 Ca 0.00 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 2qlw h ALA 18 Cb 0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2qlw h ALA 18 CO 0.00 0.30 0.07 1.49 0.00 0.00 0.00 179.25 181.10 2qlw h GLU 19 N 0.81 0.76 -0.62 0.00 4.57 -1.99 -1.19 114.58 116.91 2qlw h GLU 19 Ca 0.21 -0.21 -0.01 0.00 -1.18 0.00 0.00 59.36 58.18 2qlw h GLU 19 Cb 0.06 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.53 2qlw h GLU 19 CO -0.03 0.78 0.35 -0.92 -1.18 0.00 0.00 179.01 178.01 2qlw h TYR 20 N 0.62 0.84 -0.24 0.92 3.20 -1.89 -0.55 116.97 119.87 2qlw h TYR 20 Ca 0.14 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.00 2qlw h TYR 20 Cb 0.39 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 2qlw h TYR 20 CO 0.03 0.59 0.15 -0.09 -1.64 0.00 0.00 178.16 177.19 2qlw h ARG 21 N 0.84 0.29 -0.69 1.82 2.43 -1.05 -2.07 114.38 115.96 2qlw h ARG 21 Ca 0.22 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.40 2qlw h ARG 21 Cb 0.02 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.46 2qlw h ARG 21 CO -0.04 0.19 0.43 -0.22 -1.51 0.00 0.00 179.97 178.83 2qlw h LYS 22 N 0.30 0.83 -0.17 0.20 3.11 -0.89 0.49 116.57 120.44 2qlw h LYS 22 Ca 0.09 -0.05 -0.10 0.00 -2.81 0.00 0.00 60.65 57.78 2qlw h LYS 22 Cb -0.02 -0.19 -0.01 0.00 -1.00 0.00 0.00 32.23 31.01 2qlw h LYS 22 CO -0.03 0.55 -0.33 0.00 -2.81 0.00 0.00 179.45 176.83 2qlw h ARG 23 N 0.86 0.35 -0.00 1.90 3.08 -0.90 -2.07 114.38 117.60 2qlw h ARG 23 Ca 0.27 -0.15 -0.17 0.00 0.07 0.00 0.00 59.98 60.00 2qlw h ARG 23 Cb -0.01 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 2qlw h ARG 23 CO -0.10 0.64 -0.79 0.45 -1.07 0.00 0.00 179.97 179.11 2qlw h HIS 24 N 0.30 0.09 -0.71 3.04 3.86 -0.81 -2.74 115.15 118.19 2qlw h HIS 24 Ca 0.04 -0.05 0.06 0.00 -1.16 0.00 0.00 60.37 59.25 2qlw h HIS 24 Cb 0.73 -0.01 -0.04 0.00 1.06 0.00 0.00 27.41 29.15 2qlw h HIS 24 CO 0.02 0.83 0.47 -0.44 0.86 0.00 0.00 177.93 179.66 2qlw h ASP 25 N 0.04 0.68 -0.74 2.45 3.32 -0.53 -2.36 116.42 119.28 2qlw h ASP 25 Ca -0.02 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.76 2qlw h ASP 25 Cb 1.39 -0.15 -0.16 0.00 0.22 0.00 0.00 39.33 40.63 2qlw h ASP 25 CO 0.11 0.45 0.34 -0.62 -1.72 0.00 0.00 179.24 177.80 2qlw n GLU 26 N -4.47 3.15 -1.74 3.56 1.02 -0.81 -5.02 120.64 116.32 2qlw n GLU 26 Ca 0.10 -2.78 -0.41 0.00 -0.02 0.00 0.00 57.16 54.05 2qlw n GLU 26 Cb 0.20 -2.12 0.00 0.00 -0.02 0.00 0.00 31.44 29.50 2qlw n GLU 26 CO 0.00 0.00 0.00 1.51 1.18 0.00 0.00 177.13 179.82 2qlw n ILE 27 N -0.33 2.14 -2.20 -3.67 3.06 -0.89 -4.88 119.36 112.60 2qlw n ILE 27 Ca 0.42 -0.50 -0.42 0.00 -2.50 0.00 0.00 62.75 59.75 2qlw n ILE 27 Cb 1.37 -1.80 -0.03 0.00 0.54 0.00 0.00 39.64 39.73 2qlw n ILE 27 CO 0.00 0.00 0.00 0.26 -2.50 0.00 0.00 176.55 174.31 2qlw s TRP 28 N -1.13 3.25 0.44 9.51 0.51 -1.26 -4.90 118.94 125.36 2qlw s TRP 28 Ca 0.55 1.07 0.14 0.00 -2.12 0.00 0.00 56.10 55.74 2qlw s TRP 28 Cb -0.50 -3.64 1.04 0.00 -0.81 0.00 0.00 33.47 29.55 2qlw s TRP 28 CO 0.62 -2.15 1.99 -1.00 -0.51 0.00 0.00 176.95 175.90 2qlw h PRO 29 N 6.24 0.38 -0.26 4.98 0.13 -2.00 -0.70 132.00 140.77 2qlw h PRO 29 Ca -0.43 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.65 2qlw h PRO 29 Cb 1.21 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 2qlw h PRO 29 CO 0.83 0.25 0.05 0.93 -0.23 0.00 0.00 178.00 179.83 2qlw h GLU 30 N 0.39 0.37 -0.05 0.86 3.07 -2.00 -0.78 114.58 116.45 2qlw h GLU 30 Ca 0.26 -0.05 -0.20 0.00 -0.50 0.00 0.00 59.36 58.87 2qlw h GLU 30 Cb 0.51 -0.07 0.01 0.00 -0.84 0.00 0.00 28.75 28.36 2qlw h GLU 30 CO -0.07 0.36 -0.75 1.25 -1.40 0.00 0.00 179.01 178.39 2qlw h LEU 31 N 0.37 0.74 -0.50 1.33 5.85 -1.53 -1.91 115.31 119.65 2qlw h LEU 31 Ca 0.09 -0.71 0.03 0.00 0.84 0.00 0.00 57.88 58.13 2qlw h LEU 31 Cb 0.16 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 2qlw h LEU 31 CO -0.00 1.34 0.29 0.58 -0.34 0.00 0.00 178.44 180.31 2qlw h VAL 32 N 0.20 1.04 -0.32 1.05 2.07 -1.01 -0.33 116.25 118.96 2qlw h VAL 32 Ca -0.08 -0.20 0.01 0.00 0.82 0.00 0.00 66.70 67.25 2qlw h VAL 32 Cb 1.42 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.58 2qlw h VAL 32 CO 0.15 0.11 0.20 0.44 0.02 0.00 0.00 177.57 178.48 2qlw h ASP 33 N 0.58 0.33 -0.48 0.57 3.32 -1.14 -0.55 116.42 119.04 2qlw h ASP 33 Ca 0.20 -0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.26 2qlw h ASP 33 Cb 0.04 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 2qlw h ASP 33 CO -0.10 0.24 0.31 0.25 -1.72 0.00 0.00 179.24 178.21 2qlw h LEU 34 N 0.40 0.52 -0.40 1.55 5.85 -0.93 -0.25 115.31 122.06 2qlw h LEU 34 Ca 0.12 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 2qlw h LEU 34 Cb -0.02 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 2qlw h LEU 34 CO -0.04 0.37 0.23 -0.07 -0.34 0.00 0.00 178.44 178.59 2qlw h LEU 35 N 0.62 0.48 -0.48 2.25 3.38 -0.78 -1.39 115.31 119.39 2qlw h LEU 35 Ca 0.18 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.12 2qlw h LEU 35 Cb -0.04 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 2qlw h LEU 35 CO -0.06 0.41 0.26 0.45 0.09 0.00 0.00 178.44 179.58 2qlw h HIS 36 N 0.52 0.48 -0.24 1.13 3.86 -0.78 -1.37 115.15 118.73 2qlw h HIS 36 Ca 0.14 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.34 2qlw h HIS 36 Cb 0.02 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.33 2qlw h HIS 36 CO -0.03 0.25 0.02 1.96 0.86 0.00 0.00 177.93 180.99 2qlw h GLN 37 N 0.51 0.36 0.00 2.45 4.20 -0.70 -1.24 115.11 120.68 2qlw h GLN 37 Ca 0.20 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.86 2qlw h GLN 37 Cb 0.08 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.80 2qlw h GLN 37 CO -0.12 0.37 0.00 0.43 -0.67 0.00 0.00 178.83 178.83 2qlw n SER 38 N -4.36 0.19 0.00 1.46 7.64 -0.56 -4.89 113.62 113.11 2qlw n SER 38 Ca 0.01 0.52 0.00 0.00 1.01 0.00 0.00 58.87 60.41 2qlw n SER 38 Cb 0.19 -0.57 0.00 0.00 -1.01 0.00 0.00 64.21 62.81 2qlw n SER 38 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qlw n GLY 39 N 1.11 0.80 3.76 0.23 0.00 -0.47 -1.24 105.19 109.39 2qlw n GLY 39 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 2qlw n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qlw s ALA 40 N -2.00 3.37 0.16 4.61 0.00 -0.57 -4.03 121.76 123.30 2qlw s ALA 40 Ca 0.00 0.45 -0.11 0.00 0.00 0.00 0.00 51.96 52.30 2qlw s ALA 40 Cb 0.00 -3.08 0.00 0.00 0.00 0.00 0.00 23.12 20.04 2qlw s ALA 40 CO 0.00 0.17 0.33 -1.54 0.00 0.00 0.00 175.76 174.72 2qlw s SER 41 N -0.75 -0.02 -1.29 0.00 1.04 -0.19 -3.93 113.70 108.56 2qlw s SER 41 Ca 0.39 -0.75 -0.11 0.00 0.48 0.00 0.00 55.95 55.96 2qlw s SER 41 Cb -0.23 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.34 2qlw s SER 41 CO 0.28 -0.91 0.58 -0.67 0.98 0.00 0.00 173.24 173.49 2qlw n ASP 42 N -0.23 -2.46 -4.60 7.02 2.03 -1.26 -1.06 116.55 116.00 2qlw n ASP 42 Ca -0.09 -1.04 -0.38 0.00 0.52 0.00 0.00 54.79 53.80 2qlw n ASP 42 Cb 0.63 -3.06 -0.10 0.00 -0.72 0.00 0.00 41.12 37.86 2qlw n ASP 42 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 2qlw s TYR 43 N -3.74 3.24 0.10 -0.67 5.04 -1.26 -4.16 117.35 115.90 2qlw s TYR 43 Ca 0.22 0.25 0.05 0.00 -2.44 0.00 0.00 57.07 55.15 2qlw s TYR 43 Cb -0.08 -2.45 -0.04 0.00 0.35 0.00 0.00 41.96 39.74 2qlw s TYR 43 CO 0.89 -0.16 -0.12 -1.54 -1.34 0.00 0.00 175.55 173.27 2qlw s SER 44 N 1.64 1.72 -0.02 4.32 1.04 -0.45 -5.00 113.70 116.95 2qlw s SER 44 Ca 0.10 -0.78 0.04 0.00 0.48 0.00 0.00 55.95 55.79 2qlw s SER 44 Cb -0.16 -0.03 -0.01 0.00 0.10 0.00 0.00 66.02 65.92 2qlw s SER 44 CO 0.10 -0.18 -0.14 -0.63 0.98 0.00 0.00 173.24 173.37 2qlw s ILE 45 N -2.13 1.14 0.01 -1.02 1.01 -1.26 -1.35 121.20 117.61 2qlw s ILE 45 Ca 0.06 -0.58 0.03 0.00 0.00 0.00 0.00 60.65 60.15 2qlw s ILE 45 Cb -0.05 -0.97 -0.01 0.00 0.01 0.00 0.00 42.46 41.44 2qlw s ILE 45 CO 0.02 0.33 -0.08 -1.00 0.00 0.00 0.00 174.94 174.20 2qlw s HIS 46 N -0.11 0.74 -0.11 3.97 3.76 -0.06 -4.97 115.29 118.50 2qlw s HIS 46 Ca 0.01 -0.25 0.00 0.00 -0.15 0.00 0.00 55.06 54.67 2qlw s HIS 46 Cb -0.08 -0.46 -0.02 0.00 1.11 0.00 0.00 32.58 33.13 2qlw s HIS 46 CO 0.00 -0.02 -0.11 -1.17 -0.85 0.00 0.00 174.74 172.59 2qlw s LEU 47 N -0.68 2.86 -0.57 0.89 2.96 -1.26 -0.27 118.68 122.61 2qlw s LEU 47 Ca -0.01 -0.24 -0.21 0.00 -0.22 0.00 0.00 54.13 53.46 2qlw s LEU 47 Cb -0.05 -1.64 0.06 0.00 0.50 0.00 0.00 46.19 45.06 2qlw s LEU 47 CO 0.00 0.22 0.80 -0.62 -1.32 0.00 0.00 176.35 175.43 2qlw s ASP 48 N 0.03 6.24 0.55 3.68 -1.08 0.07 -4.95 116.67 121.21 2qlw s ASP 48 Ca -0.03 -0.85 0.31 0.00 -0.52 0.00 0.00 52.55 51.45 2qlw s ASP 48 Cb -0.14 -2.36 1.62 0.00 -1.46 0.00 0.00 42.92 40.57 2qlw s ASP 48 CO 0.04 -1.14 2.12 0.03 0.52 0.00 0.00 175.17 176.74 2qlw h ARG 49 N 9.24 0.00 -0.54 4.34 3.08 -1.96 0.84 114.38 129.38 2qlw h ARG 49 Ca -0.28 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.67 2qlw h ARG 49 Cb 1.08 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.11 2qlw h ARG 49 CO 1.07 0.08 -0.05 0.93 -1.07 0.00 0.00 179.97 180.93 2qlw h GLU 50 N 0.00 0.99 -0.00 0.04 5.08 -1.97 -3.35 114.58 115.37 2qlw h GLU 50 Ca -0.00 -0.34 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 2qlw h GLU 50 Cb 0.28 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2qlw h GLU 50 CO 0.01 1.01 -0.34 0.25 -1.00 0.00 0.00 179.01 178.94 2qlw n THR 51 N -4.22 0.00 -1.40 1.13 -2.24 -1.07 -5.00 114.28 101.48 2qlw n THR 51 Ca 0.02 -0.33 -0.14 0.00 -2.27 0.00 0.00 64.05 61.33 2qlw n THR 51 Cb 0.36 1.00 -0.06 0.00 -2.10 0.00 0.00 70.33 69.54 2qlw n THR 51 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2qlw n ASN 52 N -1.13 -5.31 -4.73 3.42 5.03 0.26 -4.95 115.26 107.84 2qlw n ASN 52 Ca 0.01 0.34 -0.41 0.00 0.87 0.00 0.00 54.58 55.40 2qlw n ASN 52 Cb 0.12 -4.04 -0.04 0.00 -1.02 0.00 0.00 39.78 34.80 2qlw n ASN 52 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 2qlw s THR 53 N -2.30 3.84 -0.16 3.41 2.01 -1.23 -1.09 115.64 120.11 2qlw s THR 53 Ca 0.00 1.50 -0.08 0.00 0.31 0.00 0.00 61.69 63.43 2qlw s THR 53 Cb 0.00 -3.96 -0.04 0.00 0.01 0.00 0.00 72.50 68.51 2qlw s THR 53 CO 0.00 0.22 0.10 -0.76 -0.69 0.00 0.00 174.62 173.49 2qlw s LEU 54 N 0.02 4.10 -0.20 4.42 1.43 -1.26 -0.75 118.68 126.43 2qlw s LEU 54 Ca 0.52 0.25 -0.02 0.00 -1.03 0.00 0.00 54.13 53.85 2qlw s LEU 54 Cb -0.30 -2.03 -0.00 0.00 0.03 0.00 0.00 46.19 43.89 2qlw s LEU 54 CO 0.34 0.26 -0.08 -0.36 0.23 0.00 0.00 176.35 176.73 2qlw s PHE 55 N -0.11 2.91 0.01 0.29 0.08 0.63 -4.25 117.98 117.53 2qlw s PHE 55 Ca 0.09 -1.04 0.04 0.00 0.12 0.00 0.00 56.93 56.13 2qlw s PHE 55 Cb -0.12 -2.04 -0.03 0.00 -0.57 0.00 0.00 43.02 40.26 2qlw s PHE 55 CO 0.01 -0.56 -0.08 0.20 -0.10 0.00 0.00 175.22 174.68 2qlw s GLY 56 N 1.31 1.73 -0.06 4.36 0.00 0.18 -0.89 107.32 113.96 2qlw s GLY 56 Ca 0.04 -1.05 -0.09 0.00 0.00 0.00 0.00 44.72 43.62 2qlw s GLY 56 CO -0.04 -0.92 0.22 0.54 0.00 0.00 0.00 173.10 172.90 2qlw s VAL 57 N -0.99 0.02 0.18 1.40 0.11 -0.46 -1.32 120.40 119.35 2qlw s VAL 57 Ca 0.17 -0.21 -0.15 0.00 -2.93 0.00 0.00 61.98 58.86 2qlw s VAL 57 Cb -0.11 -0.39 0.02 0.00 -1.53 0.00 0.00 36.38 34.37 2qlw s VAL 57 CO 0.07 -0.11 0.46 -1.48 -3.33 0.00 0.00 175.10 170.71 2qlw s LEU 58 N -0.38 0.30 -0.07 2.54 0.05 -0.21 -1.35 118.68 119.56 2qlw s LEU 58 Ca -0.05 -0.55 -0.03 0.00 0.05 0.00 0.00 54.13 53.55 2qlw s LEU 58 Cb -0.03 1.91 -0.04 0.00 -2.05 0.00 0.00 46.19 45.98 2qlw s LEU 58 CO 0.01 -1.00 0.06 -0.89 -0.55 0.00 0.00 176.35 173.98 2qlw s THR 59 N -3.89 4.72 0.02 5.48 2.01 -0.22 -0.57 115.64 123.19 2qlw s THR 59 Ca 0.10 -0.18 -0.20 0.00 0.31 0.00 0.00 61.69 61.72 2qlw s THR 59 Cb 0.00 -3.05 0.04 0.00 0.01 0.00 0.00 72.50 69.50 2qlw s THR 59 CO -0.03 0.54 0.44 0.00 -0.69 0.00 0.00 174.62 174.88 2qlw s ARG 60 N -1.16 0.90 0.61 4.92 1.70 -0.41 -1.02 118.95 124.49 2qlw s ARG 60 Ca 0.16 -0.22 -0.17 0.00 -0.47 0.00 0.00 55.73 55.04 2qlw s ARG 60 Cb -0.12 0.41 -0.02 0.00 -0.57 0.00 0.00 34.95 34.65 2qlw s ARG 60 CO 0.06 -0.30 1.12 -1.25 -1.08 0.00 0.00 175.30 173.85 2qlw s PRO 61 N -2.03 3.01 0.38 3.89 0.04 -1.26 -0.67 135.00 138.36 2qlw s PRO 61 Ca -0.08 1.49 0.12 0.00 0.04 0.00 0.00 61.00 62.57 2qlw s PRO 61 Cb -0.02 -1.97 0.91 0.00 0.04 0.00 0.00 34.50 33.47 2qlw s PRO 61 CO 0.01 -1.10 1.87 0.87 0.04 0.00 0.00 177.00 178.69 2qlw h LYS 62 N 0.49 0.57 -1.09 4.56 1.57 -0.86 -2.35 116.57 119.47 2qlw h LYS 62 Ca -0.48 -0.03 -0.46 0.00 -1.87 0.00 0.00 60.65 57.81 2qlw h LYS 62 Cb 1.25 -0.13 -0.24 0.00 0.08 0.00 0.00 32.23 33.20 2qlw h LYS 62 CO 0.55 0.38 0.59 -0.25 -0.57 0.00 0.00 179.45 180.15 2qlw n ASP 63 N -4.55 5.12 -4.70 0.86 8.00 -0.44 -5.00 116.55 115.84 2qlw n ASP 63 Ca 0.18 -3.35 -0.30 0.00 0.71 0.00 0.00 54.79 52.02 2qlw n ASP 63 Cb 0.54 -0.87 0.14 0.00 -0.02 0.00 0.00 41.12 40.91 2qlw n ASP 63 CO 0.00 0.00 0.00 -1.38 -0.39 0.00 0.00 177.20 175.43 2qlw s HIS 64 N -2.75 2.16 -0.37 1.24 -3.43 -0.89 -5.02 115.29 106.23 2qlw s HIS 64 Ca 0.47 1.46 -0.03 0.00 -0.80 0.00 0.00 55.06 56.16 2qlw s HIS 64 Cb 0.38 -3.16 0.09 0.00 -1.43 0.00 0.00 32.58 28.46 2qlw s HIS 64 CO 0.05 -2.43 0.14 0.95 -2.00 0.00 0.00 174.74 171.44 2qlw s THR 65 N -2.82 3.26 0.00 -5.38 -4.23 -0.37 -5.02 115.64 101.08 2qlw s THR 65 Ca 0.64 -1.78 0.00 0.00 -1.18 0.00 0.00 61.69 59.37 2qlw s THR 65 Cb -0.19 -3.10 0.00 0.00 1.34 0.00 0.00 72.50 70.55 2qlw s THR 65 CO 0.58 -0.48 0.00 0.00 -0.54 0.00 0.00 174.62 174.18 2qlw n ALA 67 N 4.62 0.00 1.10 3.99 0.00 -1.26 -3.97 120.51 124.99 2qlw n ALA 67 Ca -0.06 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.51 2qlw n ALA 67 Cb 0.42 0.00 0.42 0.00 0.00 0.00 0.00 19.45 20.29 2qlw n ALA 67 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2qlw n SER 68 N 0.00 0.43 -0.31 0.00 3.41 -1.26 -4.31 113.62 111.57 2qlw n SER 68 Ca 0.00 -0.19 -0.01 0.00 -0.26 0.00 0.00 58.87 58.40 2qlw n SER 68 Cb 0.00 -0.00 0.15 0.00 -0.26 0.00 0.00 64.21 64.10 2qlw n SER 68 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2qlw h LEU 69 N 0.23 1.05 -1.84 1.04 3.38 -1.98 -2.30 115.31 114.89 2qlw h LEU 69 Ca 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2qlw h LEU 69 Cb 0.47 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2qlw h LEU 69 CO 0.00 0.78 0.00 -0.65 0.09 0.00 0.00 178.44 178.66 2qlw h PRO 70 N 1.23 0.00 0.00 1.13 0.11 -1.96 -0.72 132.00 131.78 2qlw h PRO 70 Ca 0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.44 2qlw h PRO 70 Cb -0.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.00 2qlw h PRO 70 CO -0.07 0.00 -0.68 -0.25 -0.21 0.00 0.00 178.00 176.79 2qlw n ASP 71 N -2.47 0.62 -4.73 -2.05 8.00 -0.87 -4.75 116.55 110.30 2qlw n ASP 71 Ca -0.02 -0.36 -0.40 0.00 0.71 0.00 0.00 54.79 54.72 2qlw n ASP 71 Cb 0.05 0.47 -0.05 0.00 -0.02 0.00 0.00 41.12 41.57 2qlw n ASP 71 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 2qlw s HIS 72 N -3.04 3.72 0.32 1.24 3.76 -0.28 -4.97 115.29 116.03 2qlw s HIS 72 Ca 0.09 1.54 0.03 0.00 -0.15 0.00 0.00 55.06 56.57 2qlw s HIS 72 Cb 0.16 -2.90 0.63 0.00 1.11 0.00 0.00 32.58 31.58 2qlw s HIS 72 CO 0.75 0.20 1.89 -1.35 -0.85 0.00 0.00 174.74 175.38 2qlw h PRO 73 N 5.95 0.89 -0.58 8.40 0.11 -1.91 -2.37 132.00 142.48 2qlw h PRO 73 Ca -0.43 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2qlw h PRO 73 Cb 1.21 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.12 2qlw h PRO 73 CO 0.72 0.59 0.00 0.28 -0.21 0.00 0.00 178.00 179.38 2qlw n VAL 74 N -4.53 0.00 0.00 3.15 0.31 -1.26 -0.85 118.33 115.15 2qlw n VAL 74 Ca 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.48 2qlw n VAL 74 Cb 0.29 -0.15 0.00 0.00 -0.91 0.00 0.00 33.84 33.07 2qlw n VAL 74 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2qlw n LYS 76 N 0.64 0.00 -0.25 5.55 5.02 -0.89 -1.26 118.16 126.96 2qlw n LYS 76 Ca 0.00 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.22 2qlw n LYS 76 Cb 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 35.03 35.06 2qlw n LYS 76 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2qlw h LYS 77 N 0.00 1.02 -0.37 1.97 1.57 -1.27 -1.18 116.57 118.31 2qlw h LYS 77 Ca 0.00 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 2qlw h LYS 77 Cb 0.00 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 2qlw h LYS 77 CO 0.00 0.83 0.24 2.35 -0.57 0.00 0.00 179.45 182.31 2qlw h TRP 78 N 0.98 0.46 -0.95 -1.35 2.91 -1.44 -0.92 115.95 115.64 2qlw h TRP 78 Ca 0.23 0.01 0.03 0.00 1.13 0.00 0.00 58.89 60.30 2qlw h TRP 78 Cb 0.18 -0.16 -0.05 0.00 -0.51 0.00 0.00 29.16 28.62 2qlw h TRP 78 CO 0.01 0.29 0.62 -1.49 -1.03 0.00 0.00 178.44 176.84 2qlw h TRP 79 N 0.50 1.16 -0.33 2.65 6.55 -1.79 -1.92 115.95 122.78 2qlw h TRP 79 Ca 0.14 0.03 -0.08 0.00 0.95 0.00 0.00 58.89 59.93 2qlw h TRP 79 Cb -0.06 -0.39 -0.02 0.00 -0.86 0.00 0.00 29.16 27.84 2qlw h TRP 79 CO -0.05 0.68 -0.13 0.00 -1.05 0.00 0.00 178.44 177.89 2qlw h ALA 80 N 1.38 1.18 0.00 1.49 0.00 -0.80 -1.53 119.26 120.97 2qlw h ALA 80 Ca 0.37 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2qlw h ALA 80 Cb -0.02 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.63 2qlw h ALA 80 CO -0.12 0.53 0.00 1.58 0.00 0.00 0.00 179.25 181.24 2qlw n HIS 81 N -4.19 0.00 0.00 0.00 -0.00 -0.39 -4.57 115.22 106.08 2qlw n HIS 81 Ca 0.01 -0.02 0.00 0.00 -0.00 0.00 0.00 57.72 57.70 2qlw n HIS 81 Cb 0.34 -0.05 0.00 0.00 -0.00 0.00 0.00 29.99 30.27 2qlw n HIS 81 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2qlw n ALA 83 N 0.38 0.00 0.34 1.57 0.00 -0.58 -4.89 120.51 117.33 2qlw n ALA 83 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 2qlw n ALA 83 Cb 0.11 0.00 0.43 0.00 0.00 0.00 0.00 19.45 19.98 2qlw n ALA 83 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 2qlw h ASP 84 N 0.00 0.00 -0.25 0.00 2.03 -1.88 -3.44 116.42 112.88 2qlw h ASP 84 Ca 0.00 0.00 -0.11 0.00 -0.73 0.00 0.00 57.03 56.19 2qlw h ASP 84 Cb 0.00 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 38.44 2qlw h ASP 84 CO 0.00 0.00 -0.14 2.30 -1.03 0.00 0.00 179.24 180.37 2qlw n ILE 85 N -2.80 2.40 -3.39 4.15 -5.35 -1.26 -5.02 119.36 108.09 2qlw n ILE 85 Ca 0.03 -2.67 -0.39 0.00 -0.27 0.00 0.00 62.75 59.44 2qlw n ILE 85 Cb 0.39 -0.29 -0.09 0.00 -1.74 0.00 0.00 39.64 37.91 2qlw n ILE 85 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2qlw s ALA 87 N -3.16 3.56 0.10 -1.28 0.00 -0.39 -1.45 121.76 119.14 2qlw s ALA 87 Ca 0.42 -0.84 0.06 0.00 0.00 0.00 0.00 51.96 51.60 2qlw s ALA 87 Cb 0.38 -2.72 -0.03 0.00 0.00 0.00 0.00 23.12 20.75 2qlw s ALA 87 CO 0.00 -0.68 -0.14 0.95 0.00 0.00 0.00 175.76 175.89 2qlw s THR 88 N 2.07 1.23 0.79 0.00 -4.23 -1.26 -1.06 115.64 113.18 2qlw s THR 88 Ca 0.15 -1.55 -0.11 0.00 -1.18 0.00 0.00 61.69 59.00 2qlw s THR 88 Cb -0.16 -1.35 0.07 0.00 1.34 0.00 0.00 72.50 72.40 2qlw s THR 88 CO 0.10 -0.34 1.09 0.20 -0.54 0.00 0.00 174.62 175.14 2qlw s ASN 89 N -2.16 4.52 0.47 3.99 0.01 0.60 -4.78 114.94 117.59 2qlw s ASN 89 Ca 0.04 1.34 0.21 0.00 -0.71 0.00 0.00 52.86 53.74 2qlw s ASN 89 Cb -0.07 -2.08 1.22 0.00 0.41 0.00 0.00 41.25 40.73 2qlw s ASN 89 CO 0.03 -1.96 1.92 -0.65 -1.51 0.00 0.00 177.10 174.92 2qlw h PRO 90 N -1.08 0.23 -0.15 -0.60 0.11 -2.01 0.15 132.00 128.65 2qlw h PRO 90 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2qlw h PRO 90 Cb 1.26 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2qlw h PRO 90 CO 0.59 0.16 0.00 -0.40 -0.21 0.00 0.00 178.00 178.13 2qlw n ASP 91 N -4.43 0.44 0.00 -2.05 5.68 -1.26 -4.90 116.55 110.03 2qlw n ASP 91 Ca 0.15 -2.01 0.00 0.00 -0.50 0.00 0.00 54.79 52.43 2qlw n ASP 91 Cb 0.67 -0.09 0.00 0.00 -1.14 0.00 0.00 41.12 40.56 2qlw n ASP 91 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 2qlw n ASN 92 N -0.28 0.00 -4.76 -1.12 3.02 0.51 -4.92 115.26 107.70 2qlw n ASN 92 Ca 0.02 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.19 2qlw n ASN 92 Cb 0.08 -0.46 0.01 0.00 -0.61 0.00 0.00 39.78 38.80 2qlw n ASN 92 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2qlw s SER 93 N -3.16 5.88 0.48 6.41 1.04 -1.26 -4.64 113.70 118.45 2qlw s SER 93 Ca 0.00 2.59 -0.24 0.00 0.48 0.00 0.00 55.95 58.78 2qlw s SER 93 Cb 0.00 -2.63 -0.07 0.00 0.10 0.00 0.00 66.02 63.42 2qlw s SER 93 CO 0.00 -1.14 1.34 -2.84 0.98 0.00 0.00 173.24 171.58 2qlw s PRO 94 N -2.64 3.56 -0.05 4.02 0.02 -1.26 -0.29 135.00 138.36 2qlw s PRO 94 Ca 0.64 2.20 -0.30 0.00 0.02 0.00 0.00 61.00 63.57 2qlw s PRO 94 Cb -0.36 -2.50 -0.05 0.00 0.02 0.00 0.00 34.50 31.61 2qlw s PRO 94 CO 0.44 -0.84 1.63 0.08 -0.33 0.00 0.00 177.00 177.98 2qlw s VAL 95 N -1.30 3.60 -0.00 3.83 1.01 -0.22 -4.67 120.40 122.63 2qlw s VAL 95 Ca 0.64 0.75 -0.07 0.00 0.00 0.00 0.00 61.98 63.30 2qlw s VAL 95 Cb -0.39 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.51 2qlw s VAL 95 CO 0.48 -0.06 0.14 -1.58 0.00 0.00 0.00 175.10 174.08 2qlw s GLN 96 N 3.92 0.45 0.01 2.72 0.74 -1.26 -4.20 119.66 122.03 2qlw s GLN 96 Ca 0.72 -0.33 0.02 0.00 0.05 0.00 0.00 55.36 55.83 2qlw s GLN 96 Cb -0.33 0.19 -0.01 0.00 1.10 0.00 0.00 33.01 33.96 2qlw s GLN 96 CO 0.29 -0.10 -0.06 -1.12 -0.55 0.00 0.00 175.29 173.75 2qlw s SER 97 N -1.21 0.67 0.44 6.67 0.01 -0.65 -4.97 113.70 114.66 2qlw s SER 97 Ca -0.13 -0.20 -0.22 0.00 1.31 0.00 0.00 55.95 56.70 2qlw s SER 97 Cb -0.07 -0.04 -0.09 0.00 0.21 0.00 0.00 66.02 66.03 2qlw s SER 97 CO 0.01 0.00 1.03 -1.81 0.41 0.00 0.00 173.24 172.88 2qlw s ASP 98 N -0.47 6.63 0.23 2.44 1.01 -1.26 -0.67 116.67 124.58 2qlw s ASP 98 Ca -0.01 1.94 0.06 0.00 0.71 0.00 0.00 52.55 55.25 2qlw s ASP 98 Cb -0.04 -2.57 -0.03 0.00 1.01 0.00 0.00 42.92 41.29 2qlw s ASP 98 CO -0.00 -0.58 0.25 -0.76 0.21 0.00 0.00 175.17 174.29 2qlw s LEU 99 N -3.04 4.00 -0.24 1.23 1.43 -0.38 -4.86 118.68 116.83 2qlw s LEU 99 Ca 0.62 -0.11 -0.09 0.00 -1.03 0.00 0.00 54.13 53.52 2qlw s LEU 99 Cb -0.18 -2.55 -0.04 0.00 0.03 0.00 0.00 46.19 43.45 2qlw s LEU 99 CO 0.22 -0.03 0.11 -0.69 0.23 0.00 0.00 176.35 176.19 2qlw s VAL 100 N -2.02 4.87 -0.14 -1.59 1.01 -1.26 -4.54 120.40 116.72 2qlw s VAL 100 Ca 0.33 0.01 -0.29 0.00 0.00 0.00 0.00 61.98 62.03 2qlw s VAL 100 Cb -0.09 -3.27 -0.01 0.00 0.00 0.00 0.00 36.38 33.02 2qlw s VAL 100 CO 0.26 0.35 1.09 -0.89 0.00 0.00 0.00 175.10 175.92 2qlw s THR 101 N 1.20 4.57 -0.46 3.92 2.01 -1.26 -4.90 115.64 120.72 2qlw s THR 101 Ca 0.06 1.88 0.09 0.00 0.31 0.00 0.00 61.69 64.02 2qlw s THR 101 Cb -0.14 -4.21 -0.09 0.00 0.01 0.00 0.00 72.50 68.07 2qlw s THR 101 CO 0.05 -0.08 0.40 0.18 -0.69 0.00 0.00 174.62 174.48 2qlw n LEU 102 N 5.70 0.50 -3.63 4.42 4.77 -1.26 -5.03 117.00 122.47 2qlw n LEU 102 Ca 0.11 -0.53 -0.12 0.00 -0.03 0.00 0.00 56.01 55.44 2qlw n LEU 102 Cb 0.47 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.49 2qlw n LEU 102 CO 0.53 0.12 0.55 0.12 -1.33 0.00 0.00 177.39 177.38 2qlw s PHE 103 N -1.78 -0.67 0.29 -1.77 5.36 -1.26 -5.30 117.98 112.85 2qlw s PHE 103 Ca 0.04 1.63 -0.01 0.00 -0.96 0.00 0.00 56.93 57.62 2qlw s PHE 103 Cb 0.07 0.31 0.00 0.00 -0.34 0.00 0.00 43.02 43.06 2qlw s PHE 103 CO 0.35 -0.32 0.39 1.58 -1.46 0.00 0.00 175.22 175.76 2qlw n HIS 104 N 2.50 -1.23 -0.03 10.12 -0.00 -1.26 -5.11 115.22 120.20 2qlw n HIS 104 Ca -0.13 -1.96 0.00 0.00 -0.00 0.00 0.00 57.72 55.62 2qlw n HIS 104 Cb 0.55 0.44 0.00 0.00 -0.00 0.00 0.00 29.99 30.98 2qlw n HIS 104 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04