#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 4.58 0.00 1.61 -1.08 -1.26 -4.97 116.67 115.55 2qlw s ASP 0 Ca 0.00 0.14 0.00 0.00 -0.52 0.00 0.00 52.55 52.17 2qlw s ASP 0 Cb 0.00 -0.69 0.00 0.00 -1.46 0.00 0.00 42.92 40.77 2qlw s ASP 0 CO 0.00 -1.71 0.00 0.41 0.52 0.00 0.00 175.17 174.39 2qlw n THR 2 N -2.89 -0.67 -2.85 1.71 -1.04 -1.26 -1.50 114.28 105.77 2qlw n THR 2 Ca 0.11 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.73 2qlw n THR 2 Cb 0.60 -0.67 -0.06 0.00 -1.82 0.00 0.00 70.33 68.38 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 -0.63 4.48 0.07 -4.42 1.43 -1.26 -0.85 118.68 117.50 2qlw s LEU 3 Ca 0.00 1.77 0.02 0.00 -1.03 0.00 0.00 54.13 54.90 2qlw s LEU 3 Cb 0.00 -3.71 -0.03 0.00 0.03 0.00 0.00 46.19 42.48 2qlw s LEU 3 CO 0.00 0.06 -0.08 -1.83 0.23 0.00 0.00 176.35 174.73 2qlw s GLU 4 N -1.63 0.69 0.10 1.70 -1.05 0.23 -4.94 118.70 113.80 2qlw s GLU 4 Ca 0.44 -1.02 -0.24 0.00 -0.15 0.00 0.00 54.97 54.00 2qlw s GLU 4 Cb -0.21 -0.32 -0.07 0.00 -0.44 0.00 0.00 34.13 33.09 2qlw s GLU 4 CO 0.26 0.04 0.74 0.15 0.95 0.00 0.00 175.26 177.40 2qlw s LYS 5 N -2.53 4.48 -0.06 -4.83 -0.14 -1.26 -1.40 119.74 114.01 2qlw s LYS 5 Ca 0.00 1.05 0.01 0.00 -1.36 0.00 0.00 55.97 55.67 2qlw s LYS 5 Cb -0.04 -3.30 0.02 0.00 -1.68 0.00 0.00 37.83 32.83 2qlw s LYS 5 CO -0.01 0.45 -0.07 -1.58 -0.76 0.00 0.00 175.35 173.38 2qlw s HIS 6 N -0.65 1.01 0.17 3.18 5.65 0.15 -4.82 115.29 119.98 2qlw s HIS 6 Ca 0.36 -0.34 0.07 0.00 0.25 0.00 0.00 55.06 55.40 2qlw s HIS 6 Cb -0.21 -0.83 -0.04 0.00 -1.18 0.00 0.00 32.58 30.31 2qlw s HIS 6 CO 0.24 -0.25 -0.15 0.00 -0.65 0.00 0.00 174.74 173.93 2qlw s ALA 7 N 0.94 1.84 0.21 1.58 0.00 -1.26 -1.04 121.76 124.03 2qlw s ALA 7 Ca -0.10 -1.50 -0.19 0.00 0.00 0.00 0.00 51.96 50.16 2qlw s ALA 7 Cb -0.15 -0.10 0.03 0.00 0.00 0.00 0.00 23.12 22.91 2qlw s ALA 7 CO 0.00 0.11 0.57 -0.59 0.00 0.00 0.00 175.76 175.86 2qlw s PHE 8 N -2.52 -0.19 0.37 0.00 -0.12 -0.47 -1.04 117.98 114.00 2qlw s PHE 8 Ca 0.17 -0.15 0.06 0.00 -0.05 0.00 0.00 56.93 56.96 2qlw s PHE 8 Cb -0.03 0.48 -0.07 0.00 -0.63 0.00 0.00 43.02 42.76 2qlw s PHE 8 CO 0.05 -0.97 0.02 -1.59 -0.05 0.00 0.00 175.22 172.68 2qlw s LYS 9 N -3.86 1.84 -0.22 1.99 -2.85 0.35 -0.79 119.74 116.19 2qlw s LYS 9 Ca 0.08 -2.03 -0.09 0.00 -1.00 0.00 0.00 55.97 52.94 2qlw s LYS 9 Cb -0.02 -1.38 0.09 0.00 -2.06 0.00 0.00 37.83 34.46 2qlw s LYS 9 CO -0.03 -0.08 0.49 -1.14 0.10 0.00 0.00 175.35 174.69 2qlw s GLN 11 N -3.76 0.42 -0.06 1.78 2.00 -1.26 -1.78 119.66 117.00 2qlw s GLN 11 Ca 0.35 1.08 -0.12 0.00 -2.00 0.00 0.00 55.36 54.67 2qlw s GLN 11 Cb 0.09 0.33 -0.05 0.00 0.80 0.00 0.00 33.01 34.18 2qlw s GLN 11 CO 0.17 -0.21 0.30 -1.17 -0.50 0.00 0.00 175.29 173.88 2qlw s LEU 12 N 2.30 4.41 0.63 3.68 2.96 -0.39 -1.70 118.68 130.57 2qlw s LEU 12 Ca -0.05 0.73 -0.18 0.00 -0.22 0.00 0.00 54.13 54.41 2qlw s LEU 12 Cb -0.10 -2.39 -0.02 0.00 0.50 0.00 0.00 46.19 44.18 2qlw s LEU 12 CO -0.15 0.31 1.23 0.20 -1.32 0.00 0.00 176.35 176.62 2qlw s ASN 13 N -0.81 4.88 0.28 3.68 0.01 0.29 -4.83 114.94 118.45 2qlw s ASN 13 Ca 0.20 2.43 -0.30 0.00 -0.71 0.00 0.00 52.86 54.48 2qlw s ASN 13 Cb -0.15 -2.60 -0.13 0.00 0.41 0.00 0.00 41.25 38.78 2qlw s ASN 13 CO 0.09 -1.81 1.27 -2.65 -1.51 0.00 0.00 177.10 172.49 2qlw n PRO 14 N -1.88 1.85 -1.39 -0.60 -0.02 -1.26 -4.66 135.00 127.04 2qlw n PRO 14 Ca 0.14 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 2qlw n PRO 14 Cb 0.49 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 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 1.50 0.83 1.37 -1.23 0.00 -1.26 -5.17 105.19 101.23 2qlw n GLY 15 Ca 0.09 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.23 0.00 -0.13 1.61 2.13 -1.26 -4.78 120.64 116.98 2qlw n GLU 17 Ca 0.00 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.71 2qlw n GLU 17 Cb 0.44 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 32.13 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 0.53 -0.76 4.31 0.00 -2.00 -1.42 119.26 119.92 2qlw h ALA 18 Ca 0.00 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 2qlw h ALA 18 Cb 0.00 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 2qlw h ALA 18 CO 0.00 0.33 0.24 1.49 0.00 0.00 0.00 179.25 181.31 2qlw h GLU 19 N 0.53 1.17 -0.46 0.00 4.57 -2.00 -0.38 114.58 118.02 2qlw h GLU 19 Ca 0.11 -0.25 0.01 0.00 -1.18 0.00 0.00 59.36 58.05 2qlw h GLU 19 Cb 0.51 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 28.90 2qlw h GLU 19 CO 0.02 0.99 0.30 -0.92 -1.18 0.00 0.00 179.01 178.22 2qlw h TYR 20 N 1.13 0.56 -0.23 0.92 3.20 -1.90 -0.85 116.97 119.80 2qlw h TYR 20 Ca 0.25 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.13 2qlw h TYR 20 Cb 0.30 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.37 2qlw h TYR 20 CO 0.03 0.35 0.15 -0.09 -1.64 0.00 0.00 178.16 176.95 2qlw h ARG 21 N 0.61 0.31 -0.32 1.82 2.43 -1.07 -2.29 114.38 115.87 2qlw h ARG 21 Ca 0.17 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.35 2qlw h ARG 21 Cb -0.05 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.40 2qlw h ARG 21 CO -0.05 0.23 0.14 -0.22 -1.51 0.00 0.00 179.97 178.56 2qlw h LYS 22 N 0.30 0.29 -0.41 0.20 3.64 -0.66 0.07 116.57 119.99 2qlw h LYS 22 Ca 0.09 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.43 2qlw h LYS 22 Cb -0.01 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.73 2qlw h LYS 22 CO -0.02 0.19 0.17 0.00 -2.27 0.00 0.00 179.45 177.53 2qlw h ARG 23 N 0.29 0.58 0.00 1.90 3.08 -1.05 -2.23 114.38 116.96 2qlw h ARG 23 Ca 0.14 -0.07 -0.17 0.00 0.07 0.00 0.00 59.98 59.95 2qlw h ARG 23 Cb 0.08 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 2qlw h ARG 23 CO -0.12 0.48 -0.80 0.45 -1.07 0.00 0.00 179.97 178.90 2qlw h HIS 24 N 0.58 0.00 -0.14 3.04 3.86 -0.97 -2.56 115.15 118.96 2qlw h HIS 24 Ca 0.14 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.34 2qlw h HIS 24 Cb 0.11 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.57 2qlw h HIS 24 CO 0.01 0.80 0.04 -0.44 0.86 0.00 0.00 177.93 179.20 2qlw h ASP 25 N 0.00 0.17 -0.74 2.45 3.32 -0.49 -2.36 116.42 118.77 2qlw h ASP 25 Ca -0.01 -0.01 -0.31 0.00 0.02 0.00 0.00 57.03 56.72 2qlw h ASP 25 Cb 1.49 -0.04 -0.19 0.00 0.22 0.00 0.00 39.33 40.81 2qlw h ASP 25 CO 0.10 0.18 0.34 -0.62 -1.72 0.00 0.00 179.24 177.52 2qlw n GLU 26 N -4.46 2.77 -1.67 3.56 1.02 -0.88 -5.03 120.64 115.95 2qlw n GLU 26 Ca -0.01 -3.07 -0.44 0.00 -0.02 0.00 0.00 57.16 53.63 2qlw n GLU 26 Cb 0.12 -2.11 -0.02 0.00 -0.02 0.00 0.00 31.44 29.42 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 -0.74 1.60 -2.10 -3.67 3.06 -0.89 -4.87 119.36 111.75 2qlw n ILE 27 Ca 0.46 -0.40 -0.42 0.00 -2.50 0.00 0.00 62.75 59.89 2qlw n ILE 27 Cb 1.41 -1.41 -0.03 0.00 0.54 0.00 0.00 39.64 40.15 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 -0.70 3.15 0.33 9.51 0.51 -1.26 -4.91 118.94 125.57 2qlw s TRP 28 Ca 0.61 1.02 0.08 0.00 -2.12 0.00 0.00 56.10 55.69 2qlw s TRP 28 Cb -0.63 -3.73 0.80 0.00 -0.81 0.00 0.00 33.47 29.10 2qlw s TRP 28 CO 0.57 -2.44 1.80 -1.35 -0.51 0.00 0.00 176.95 175.02 2qlw h PRO 29 N 5.78 0.69 -0.08 4.98 0.11 -2.00 -0.97 132.00 140.51 2qlw h PRO 29 Ca -0.44 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.55 2qlw h PRO 29 Cb 1.21 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 2qlw h PRO 29 CO 0.81 0.45 -0.30 1.05 -0.21 0.00 0.00 178.00 179.81 2qlw h GLU 30 N 0.71 0.14 -0.12 1.05 9.09 -1.99 -0.81 114.58 122.65 2qlw h GLU 30 Ca 0.54 -0.05 -0.12 0.00 0.05 0.00 0.00 59.36 59.79 2qlw h GLU 30 Cb 0.92 -0.01 0.00 0.00 -1.65 0.00 0.00 28.75 28.01 2qlw h GLU 30 CO -0.32 0.43 -0.38 1.25 0.05 0.00 0.00 179.01 180.04 2qlw h LEU 31 N 0.12 0.54 -0.48 3.06 5.85 -1.58 -1.93 115.31 120.89 2qlw h LEU 31 Ca 0.02 -0.61 0.07 0.00 0.84 0.00 0.00 57.88 58.19 2qlw h LEU 31 Cb 0.60 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.42 2qlw h LEU 31 CO 0.04 1.05 0.17 0.58 -0.34 0.00 0.00 178.44 179.94 2qlw h VAL 32 N 0.05 0.83 -0.42 1.05 2.07 -1.04 0.34 116.25 119.13 2qlw h VAL 32 Ca -0.01 -0.12 0.02 0.00 0.82 0.00 0.00 66.70 67.41 2qlw h VAL 32 Cb 1.01 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 2qlw h VAL 32 CO 0.08 0.06 0.24 0.44 0.02 0.00 0.00 177.57 178.41 2qlw h ASP 33 N 0.34 0.38 -0.36 0.57 3.32 -1.16 -0.09 116.42 119.42 2qlw h ASP 33 Ca 0.23 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.29 2qlw h ASP 33 Cb 0.25 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 2qlw h ASP 33 CO -0.24 0.27 0.21 0.25 -1.72 0.00 0.00 179.24 178.01 2qlw h LEU 34 N 0.49 0.43 -0.37 1.55 5.85 -0.91 -0.59 115.31 121.76 2qlw h LEU 34 Ca 0.17 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.85 2qlw h LEU 34 Cb 0.03 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 2qlw h LEU 34 CO -0.09 0.37 0.20 -0.07 -0.34 0.00 0.00 178.44 178.51 2qlw h LEU 35 N 0.46 0.31 -0.35 2.25 3.38 -0.59 -1.62 115.31 119.15 2qlw h LEU 35 Ca 0.13 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.13 2qlw h LEU 35 Cb 0.02 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 2qlw h LEU 35 CO -0.02 0.23 0.20 0.45 0.09 0.00 0.00 178.44 179.39 2qlw h HIS 36 N 0.41 0.38 -0.39 1.13 3.86 -0.83 -0.94 115.15 118.76 2qlw h HIS 36 Ca 0.15 0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.38 2qlw h HIS 36 Cb 0.04 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 28.37 2qlw h HIS 36 CO -0.09 0.22 0.26 1.96 0.86 0.00 0.00 177.93 181.14 2qlw h GLN 37 N 0.41 0.51 0.00 2.45 4.20 -0.81 -1.50 115.11 120.38 2qlw h GLN 37 Ca 0.14 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.82 2qlw h GLN 37 Cb 0.01 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.68 2qlw h GLN 37 CO -0.07 0.34 0.00 -1.13 -0.67 0.00 0.00 178.83 177.29 2qlw n SER 38 N -4.48 0.18 0.00 1.46 3.41 -0.64 -4.88 113.62 108.67 2qlw n SER 38 Ca 0.03 0.52 0.00 0.00 -0.26 0.00 0.00 58.87 59.16 2qlw n SER 38 Cb 0.07 -0.57 0.00 0.00 -0.26 0.00 0.00 64.21 63.45 2qlw n SER 38 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qlw n GLY 39 N 1.20 0.84 3.73 5.00 0.00 -0.56 -1.20 105.19 114.20 2qlw n GLY 39 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 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 3.28 0.13 4.61 0.00 -0.40 -4.05 121.76 123.33 2qlw s ALA 40 Ca 0.00 0.52 -0.08 0.00 0.00 0.00 0.00 51.96 52.40 2qlw s ALA 40 Cb 0.00 -3.21 -0.01 0.00 0.00 0.00 0.00 23.12 19.90 2qlw s ALA 40 CO 0.00 0.01 0.22 -1.54 0.00 0.00 0.00 175.76 174.45 2qlw s SER 41 N -0.10 0.10 -1.26 0.00 1.04 -0.35 -3.91 113.70 109.23 2qlw s SER 41 Ca 0.45 -0.80 -0.10 0.00 0.48 0.00 0.00 55.95 55.98 2qlw s SER 41 Cb -0.23 0.38 -0.01 0.00 0.10 0.00 0.00 66.02 66.27 2qlw s SER 41 CO 0.29 -0.81 0.65 -0.67 0.98 0.00 0.00 173.24 173.68 2qlw n ASP 42 N -0.13 -2.83 -4.56 7.02 2.03 -1.26 -1.12 116.55 115.70 2qlw n ASP 42 Ca -0.11 -0.97 -0.38 0.00 0.52 0.00 0.00 54.79 53.86 2qlw n ASP 42 Cb 0.63 -3.43 -0.11 0.00 -0.72 0.00 0.00 41.12 37.48 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 -3.67 3.20 0.13 -0.67 5.04 -1.26 -4.18 117.35 115.93 2qlw s TYR 43 Ca 0.22 -0.00 0.06 0.00 -2.44 0.00 0.00 57.07 54.91 2qlw s TYR 43 Cb -0.08 -2.36 -0.04 0.00 0.35 0.00 0.00 41.96 39.84 2qlw s TYR 43 CO 0.86 -0.21 -0.14 -1.54 -1.34 0.00 0.00 175.55 173.18 2qlw s SER 44 N 1.73 2.01 -0.02 4.32 1.04 -0.40 -5.00 113.70 117.39 2qlw s SER 44 Ca 0.07 -0.83 0.02 0.00 0.48 0.00 0.00 55.95 55.69 2qlw s SER 44 Cb -0.16 -0.07 -0.00 0.00 0.10 0.00 0.00 66.02 65.89 2qlw s SER 44 CO 0.10 -0.16 -0.08 -0.63 0.98 0.00 0.00 173.24 173.44 2qlw s ILE 45 N -2.25 0.70 -0.01 -1.02 1.01 -1.26 -1.28 121.20 117.09 2qlw s ILE 45 Ca 0.10 -0.34 0.02 0.00 0.00 0.00 0.00 60.65 60.43 2qlw s ILE 45 Cb -0.04 -0.61 -0.00 0.00 0.01 0.00 0.00 42.46 41.81 2qlw s ILE 45 CO 0.03 0.21 -0.07 -1.00 0.00 0.00 0.00 174.94 174.11 2qlw s HIS 46 N 0.02 0.68 -0.18 3.97 3.76 0.28 -4.96 115.29 118.85 2qlw s HIS 46 Ca -0.00 -0.13 -0.08 0.00 -0.15 0.00 0.00 55.06 54.70 2qlw s HIS 46 Cb -0.06 -0.44 -0.04 0.00 1.11 0.00 0.00 32.58 33.15 2qlw s HIS 46 CO -0.00 -0.02 0.07 -1.17 -0.85 0.00 0.00 174.74 172.78 2qlw s LEU 47 N -0.14 3.89 -0.52 0.89 2.96 -1.26 -0.32 118.68 124.17 2qlw s LEU 47 Ca 0.02 0.12 -0.22 0.00 -0.22 0.00 0.00 54.13 53.84 2qlw s LEU 47 Cb -0.03 -1.98 0.05 0.00 0.50 0.00 0.00 46.19 44.72 2qlw s LEU 47 CO -0.00 0.20 0.77 -0.62 -1.32 0.00 0.00 176.35 175.37 2qlw s ASP 48 N 0.24 6.29 0.51 3.68 2.15 0.10 -4.94 116.67 124.71 2qlw s ASP 48 Ca 0.05 -0.59 0.27 0.00 0.43 0.00 0.00 52.55 52.70 2qlw s ASP 48 Cb -0.12 -2.36 1.36 0.00 -0.30 0.00 0.00 42.92 41.50 2qlw s ASP 48 CO 0.00 -1.03 2.03 0.03 -0.17 0.00 0.00 175.17 176.03 2qlw h ARG 49 N 9.12 0.00 -0.60 4.34 3.08 -1.96 0.11 114.38 128.47 2qlw h ARG 49 Ca -0.27 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.69 2qlw h ARG 49 Cb 1.09 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.11 2qlw h ARG 49 CO 1.01 0.14 0.02 1.49 -1.07 0.00 0.00 179.97 181.56 2qlw h GLU 50 N 0.00 1.04 -0.00 0.04 4.81 -1.96 -3.32 114.58 115.19 2qlw h GLU 50 Ca -0.00 -0.32 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 2qlw h GLU 50 Cb 0.41 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.68 2qlw h GLU 50 CO 0.02 1.01 -0.36 0.25 -0.73 0.00 0.00 179.01 179.20 2qlw n THR 51 N -4.19 0.00 -2.00 0.32 -2.24 -1.14 -5.00 114.28 100.04 2qlw n THR 51 Ca 0.03 -0.32 -0.17 0.00 -2.27 0.00 0.00 64.05 61.32 2qlw n THR 51 Cb 0.33 1.00 -0.03 0.00 -2.10 0.00 0.00 70.33 69.53 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 -1.17 -5.02 -4.72 3.42 5.03 0.36 -4.94 115.26 108.22 2qlw n ASN 52 Ca 0.01 0.16 -0.41 0.00 0.87 0.00 0.00 54.58 55.21 2qlw n ASN 52 Cb 0.12 -4.07 -0.04 0.00 -1.02 0.00 0.00 39.78 34.77 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 -2.76 4.81 -0.20 3.41 2.01 -1.18 -1.26 115.64 120.46 2qlw s THR 53 Ca 0.00 1.91 -0.11 0.00 0.31 0.00 0.00 61.69 63.80 2qlw s THR 53 Cb 0.00 -4.25 -0.05 0.00 0.01 0.00 0.00 72.50 68.21 2qlw s THR 53 CO 0.00 0.23 0.18 -0.76 -0.69 0.00 0.00 174.62 173.58 2qlw s LEU 54 N 0.64 4.19 -0.26 4.42 1.43 -1.26 -0.72 118.68 127.12 2qlw s LEU 54 Ca 0.47 0.26 -0.06 0.00 -1.03 0.00 0.00 54.13 53.77 2qlw s LEU 54 Cb -0.21 -2.17 -0.01 0.00 0.03 0.00 0.00 46.19 43.83 2qlw s LEU 54 CO 0.26 0.12 0.04 0.12 0.23 0.00 0.00 176.35 177.12 2qlw s PHE 55 N 0.63 3.07 -0.03 0.29 5.36 0.56 -4.24 117.98 123.63 2qlw s PHE 55 Ca 0.10 -0.74 0.01 0.00 -0.96 0.00 0.00 56.93 55.34 2qlw s PHE 55 Cb -0.12 -2.21 -0.03 0.00 -0.34 0.00 0.00 43.02 40.32 2qlw s PHE 55 CO 0.01 -0.48 -0.01 0.20 -1.46 0.00 0.00 175.22 173.49 2qlw s GLY 56 N 1.54 1.85 -0.03 13.12 0.00 0.03 -0.56 107.32 123.27 2qlw s GLY 56 Ca 0.05 -0.91 -0.03 0.00 0.00 0.00 0.00 44.72 43.83 2qlw s GLY 56 CO 0.01 -0.75 0.08 0.54 0.00 0.00 0.00 173.10 172.98 2qlw s VAL 57 N -1.01 -0.01 0.18 1.40 0.11 -0.40 -1.37 120.40 119.30 2qlw s VAL 57 Ca 0.17 0.02 -0.14 0.00 -2.93 0.00 0.00 61.98 59.10 2qlw s VAL 57 Cb -0.11 -0.12 0.01 0.00 -1.53 0.00 0.00 36.38 34.63 2qlw s VAL 57 CO 0.07 0.01 0.42 -1.48 -3.33 0.00 0.00 175.10 170.79 2qlw s LEU 58 N 0.14 0.47 -0.10 2.54 0.05 -0.20 -1.28 118.68 120.30 2qlw s LEU 58 Ca -0.01 -0.64 -0.05 0.00 0.05 0.00 0.00 54.13 53.48 2qlw s LEU 58 Cb -0.02 1.73 -0.04 0.00 -2.05 0.00 0.00 46.19 45.81 2qlw s LEU 58 CO -0.00 -0.98 0.09 -0.89 -0.55 0.00 0.00 176.35 174.01 2qlw s THR 59 N -3.91 5.03 -0.02 5.48 2.01 -0.27 -0.68 115.64 123.27 2qlw s THR 59 Ca 0.12 0.01 -0.22 0.00 0.31 0.00 0.00 61.69 61.91 2qlw s THR 59 Cb 0.01 -3.17 0.05 0.00 0.01 0.00 0.00 72.50 69.40 2qlw s THR 59 CO -0.02 0.60 0.49 0.00 -0.69 0.00 0.00 174.62 175.01 2qlw s ARG 60 N -1.00 0.88 0.68 4.92 1.70 -0.49 -1.21 118.95 124.43 2qlw s ARG 60 Ca 0.15 -0.02 -0.15 0.00 -0.47 0.00 0.00 55.73 55.24 2qlw s ARG 60 Cb -0.12 0.40 0.01 0.00 -0.57 0.00 0.00 34.95 34.68 2qlw s ARG 60 CO 0.04 -0.27 1.12 -1.25 -1.08 0.00 0.00 175.30 173.86 2qlw s PRO 61 N -1.45 2.63 0.28 3.89 0.04 -1.26 -0.60 135.00 138.54 2qlw s PRO 61 Ca -0.11 1.43 0.01 0.00 0.04 0.00 0.00 61.00 62.38 2qlw s PRO 61 Cb -0.02 -1.92 0.57 0.00 0.04 0.00 0.00 34.50 33.16 2qlw s PRO 61 CO 0.06 -1.39 1.83 0.87 0.04 0.00 0.00 177.00 178.40 2qlw h LYS 62 N -0.14 0.94 -1.24 4.56 6.56 -0.94 -2.16 116.57 124.15 2qlw h LYS 62 Ca -0.47 -0.06 -0.69 0.00 -1.06 0.00 0.00 60.65 58.38 2qlw h LYS 62 Cb 1.25 -0.21 -0.28 0.00 -0.57 0.00 0.00 32.23 32.42 2qlw h LYS 62 CO 0.53 0.62 0.90 -0.40 -2.06 0.00 0.00 179.45 179.04 2qlw n ASP 63 N -4.64 7.63 -4.64 0.86 5.75 -0.57 -5.00 116.55 115.95 2qlw n ASP 63 Ca 0.19 -3.78 -0.29 0.00 -0.01 0.00 0.00 54.79 50.90 2qlw n ASP 63 Cb 0.37 -1.00 0.18 0.00 -1.03 0.00 0.00 41.12 39.64 2qlw n ASP 63 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 2qlw s HIS 64 N -3.81 1.90 -0.34 2.11 -3.43 -0.81 -4.97 115.29 105.94 2qlw s HIS 64 Ca 0.61 1.27 -0.01 0.00 -0.80 0.00 0.00 55.06 56.13 2qlw s HIS 64 Cb 0.49 -3.18 0.08 0.00 -1.43 0.00 0.00 32.58 28.53 2qlw s HIS 64 CO -0.10 -2.96 0.07 0.95 -2.00 0.00 0.00 174.74 170.69 2qlw s THR 65 N -2.76 2.92 0.00 -5.38 -4.23 -0.34 -5.01 115.64 100.84 2qlw s THR 65 Ca 0.66 -1.78 0.00 0.00 -1.18 0.00 0.00 61.69 59.39 2qlw s THR 65 Cb -0.21 -2.86 0.00 0.00 1.34 0.00 0.00 72.50 70.77 2qlw s THR 65 CO 0.59 -0.37 0.00 0.00 -0.54 0.00 0.00 174.62 174.30 2qlw n ALA 67 N 4.54 0.00 0.67 3.99 0.00 -1.26 -3.89 120.51 124.56 2qlw n ALA 67 Ca -0.07 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.49 2qlw n ALA 67 Cb 0.42 -0.00 0.19 0.00 0.00 0.00 0.00 19.45 20.07 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 0.63 -0.28 0.00 3.41 -1.26 -4.41 113.62 111.72 2qlw n SER 68 Ca 0.00 0.05 0.03 0.00 -0.26 0.00 0.00 58.87 58.69 2qlw n SER 68 Cb 0.00 0.18 0.25 0.00 -0.26 0.00 0.00 64.21 64.38 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 0.00 0.88 -2.53 1.04 3.38 -1.98 -1.53 115.31 114.57 2qlw h LEU 69 Ca 0.00 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 2qlw h LEU 69 Cb 0.69 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 2qlw h LEU 69 CO 0.00 0.58 0.10 -0.65 0.09 0.00 0.00 178.44 178.56 2qlw h PRO 70 N 1.01 0.00 -0.00 1.13 0.11 -1.96 -1.26 132.00 131.03 2qlw h PRO 70 Ca 0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.47 2qlw h PRO 70 Cb 0.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.24 2qlw h PRO 70 CO -0.12 0.00 -0.13 -0.25 -0.21 0.00 0.00 178.00 177.29 2qlw n ASP 71 N -3.45 0.60 -4.70 -2.05 8.00 -0.58 -4.72 116.55 109.66 2qlw n ASP 71 Ca -0.02 -0.67 -0.39 0.00 0.71 0.00 0.00 54.79 54.43 2qlw n ASP 71 Cb 0.18 -0.03 -0.06 0.00 -0.02 0.00 0.00 41.12 41.19 2qlw n ASP 71 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 2qlw s HIS 72 N -2.46 3.47 0.37 1.24 2.46 -0.48 -4.98 115.29 114.91 2qlw s HIS 72 Ca 0.29 0.90 0.11 0.00 0.47 0.00 0.00 55.06 56.82 2qlw s HIS 72 Cb 0.20 -2.64 0.88 0.00 -0.13 0.00 0.00 32.58 30.89 2qlw s HIS 72 CO 0.48 0.05 1.87 -1.00 -2.47 0.00 0.00 174.74 173.67 2qlw h PRO 73 N 7.01 0.60 -1.07 2.88 0.13 -1.90 -1.54 132.00 138.12 2qlw h PRO 73 Ca -0.38 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2qlw h PRO 73 Cb 1.17 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.16 2qlw h PRO 73 CO 0.75 0.40 0.00 0.28 -0.23 0.00 0.00 178.00 179.20 2qlw n VAL 74 N -4.56 0.17 0.00 1.56 0.31 -1.26 -0.64 118.33 113.92 2qlw n VAL 74 Ca 0.18 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.51 2qlw n VAL 74 Cb 0.52 -0.43 0.00 0.00 -0.91 0.00 0.00 33.84 33.01 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 0.62 0.00 -0.17 5.55 5.02 -0.58 -1.26 118.16 127.34 2qlw n LYS 76 Ca 0.00 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.18 2qlw n LYS 76 Cb 0.12 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.14 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 1.00 -0.65 1.97 1.57 -1.15 -1.01 116.57 118.31 2qlw h LYS 77 Ca 0.00 -0.39 -0.01 0.00 -1.87 0.00 0.00 60.65 58.38 2qlw h LYS 77 Cb 0.00 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 2qlw h LYS 77 CO 0.00 1.07 0.38 2.35 -0.57 0.00 0.00 179.45 182.68 2qlw h TRP 78 N 0.87 0.87 -0.80 -1.35 2.91 -1.43 -0.47 115.95 116.55 2qlw h TRP 78 Ca 0.13 -0.01 0.01 0.00 1.13 0.00 0.00 58.89 60.15 2qlw h TRP 78 Cb 0.71 -0.28 -0.04 0.00 -0.51 0.00 0.00 29.16 29.04 2qlw h TRP 78 CO 0.05 0.60 0.53 -1.49 -1.03 0.00 0.00 178.44 177.10 2qlw h TRP 79 N 0.89 1.00 -0.86 2.65 6.55 -1.75 -1.96 115.95 122.46 2qlw h TRP 79 Ca 0.23 0.02 -0.01 0.00 0.95 0.00 0.00 58.89 60.08 2qlw h TRP 79 Cb -0.00 -0.34 -0.04 0.00 -0.86 0.00 0.00 29.16 27.92 2qlw h TRP 79 CO -0.01 0.63 0.49 0.00 -1.05 0.00 0.00 178.44 178.49 2qlw h ALA 80 N 1.29 1.11 0.00 1.49 0.00 -0.78 -0.72 119.26 121.65 2qlw h ALA 80 Ca 0.29 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2qlw h ALA 80 Cb -0.12 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.32 2qlw h ALA 80 CO -0.07 0.60 0.00 1.58 0.00 0.00 0.00 179.25 181.37 2qlw n HIS 81 N -4.38 0.00 0.00 0.00 -0.00 -0.22 -4.51 115.22 106.11 2qlw n HIS 81 Ca 0.09 -0.01 0.00 0.00 -0.00 0.00 0.00 57.72 57.80 2qlw n HIS 81 Cb 0.09 -0.03 0.00 0.00 -0.00 0.00 0.00 29.99 30.04 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 0.49 0.00 0.32 1.57 0.00 -0.28 -4.84 120.51 117.77 2qlw n ALA 83 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.59 2qlw n ALA 83 Cb 0.05 0.00 0.64 0.00 0.00 0.00 0.00 19.45 20.14 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 -0.62 0.00 2.03 -1.87 -3.45 116.42 112.51 2qlw h ASP 84 Ca 0.00 0.00 -0.44 0.00 -0.73 0.00 0.00 57.03 55.86 2qlw h ASP 84 Cb 0.00 0.00 -0.32 0.00 -0.83 0.00 0.00 39.33 38.18 2qlw h ASP 84 CO 0.00 0.00 -0.55 2.30 -1.03 0.00 0.00 179.24 179.96 2qlw n ILE 85 N -2.59 2.59 -3.63 4.15 -5.35 -1.26 -5.01 119.36 108.26 2qlw n ILE 85 Ca 0.01 -3.83 -0.37 0.00 -0.27 0.00 0.00 62.75 58.29 2qlw n ILE 85 Cb 0.21 -0.93 -0.09 0.00 -1.74 0.00 0.00 39.64 37.09 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 -3.54 3.61 0.13 -1.28 0.00 -0.69 -0.54 121.76 119.46 2qlw s ALA 87 Ca 0.50 -0.81 0.06 0.00 0.00 0.00 0.00 51.96 51.71 2qlw s ALA 87 Cb 0.41 -2.35 -0.04 0.00 0.00 0.00 0.00 23.12 21.15 2qlw s ALA 87 CO 0.01 -0.16 -0.14 0.95 0.00 0.00 0.00 175.76 176.42 2qlw s THR 88 N 0.99 1.39 0.82 0.00 -4.23 -1.26 -1.30 115.64 112.05 2qlw s THR 88 Ca 0.09 -1.79 -0.12 0.00 -1.18 0.00 0.00 61.69 58.70 2qlw s THR 88 Cb -0.13 -1.61 0.08 0.00 1.34 0.00 0.00 72.50 72.18 2qlw s THR 88 CO 0.04 -0.44 1.16 0.20 -0.54 0.00 0.00 174.62 175.04 2qlw s ASN 89 N -2.57 4.40 0.39 3.99 0.01 0.13 -4.72 114.94 116.57 2qlw s ASN 89 Ca 0.11 0.88 0.20 0.00 -0.71 0.00 0.00 52.86 53.34 2qlw s ASN 89 Cb -0.04 -1.44 1.16 0.00 0.41 0.00 0.00 41.25 41.34 2qlw s ASN 89 CO 0.03 -1.98 1.72 -0.65 -1.51 0.00 0.00 177.10 174.71 2qlw h PRO 90 N -1.11 0.32 -0.50 -0.60 0.11 -2.01 -1.24 132.00 126.96 2qlw h PRO 90 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2qlw h PRO 90 Cb 1.32 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2qlw h PRO 90 CO 0.65 0.21 0.00 -0.40 -0.21 0.00 0.00 178.00 178.25 2qlw n ASP 91 N -4.72 1.62 0.00 -2.05 5.68 -1.26 -4.85 116.55 110.96 2qlw n ASP 91 Ca 0.29 -2.11 0.00 0.00 -0.50 0.00 0.00 54.79 52.47 2qlw n ASP 91 Cb 1.01 -0.32 0.00 0.00 -1.14 0.00 0.00 41.12 40.67 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 0.13 0.00 -4.77 -1.12 3.02 -0.47 -4.99 115.26 107.06 2qlw n ASN 92 Ca 0.07 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.26 2qlw n ASN 92 Cb 0.32 -0.13 -0.01 0.00 -0.61 0.00 0.00 39.78 39.35 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 -3.73 6.04 0.39 6.41 1.04 -1.26 -4.67 113.70 117.91 2qlw s SER 93 Ca 0.00 2.22 -0.27 0.00 0.48 0.00 0.00 55.95 58.38 2qlw s SER 93 Cb 0.00 -2.59 -0.10 0.00 0.10 0.00 0.00 66.02 63.43 2qlw s SER 93 CO 0.00 -1.00 1.43 -2.16 0.98 0.00 0.00 173.24 172.49 2qlw s PRO 94 N -2.93 4.05 0.09 4.02 0.04 -1.26 0.18 135.00 139.18 2qlw s PRO 94 Ca 0.67 2.46 -0.32 0.00 0.04 0.00 0.00 61.00 63.85 2qlw s PRO 94 Cb -0.26 -2.90 -0.11 0.00 0.04 0.00 0.00 34.50 31.27 2qlw s PRO 94 CO 0.31 -0.54 1.83 0.28 0.04 0.00 0.00 177.00 178.91 2qlw n VAL 95 N 0.35 0.38 -3.80 -0.36 0.31 -0.42 -4.63 118.33 110.16 2qlw n VAL 95 Ca 0.02 -0.07 -0.13 0.00 -0.01 0.00 0.00 64.34 64.15 2qlw n VAL 95 Cb 0.40 -2.04 -0.11 0.00 -0.91 0.00 0.00 33.84 31.18 2qlw n VAL 95 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 2qlw s GLN 96 N 2.82 0.37 0.03 5.55 0.74 -1.26 -4.12 119.66 123.79 2qlw s GLN 96 Ca 0.83 0.16 0.02 0.00 0.05 0.00 0.00 55.36 56.43 2qlw s GLN 96 Cb -0.53 0.17 -0.02 0.00 1.10 0.00 0.00 33.01 33.73 2qlw s GLN 96 CO 0.40 -0.07 -0.08 -1.12 -0.55 0.00 0.00 175.29 173.87 2qlw s SER 97 N -0.29 0.86 0.38 6.67 0.01 -0.74 -4.97 113.70 115.61 2qlw s SER 97 Ca -0.04 -0.43 -0.24 0.00 1.31 0.00 0.00 55.95 56.56 2qlw s SER 97 Cb -0.03 -0.00 -0.10 0.00 0.21 0.00 0.00 66.02 66.09 2qlw s SER 97 CO 0.01 -0.12 0.95 -1.81 0.41 0.00 0.00 173.24 172.68 2qlw s ASP 98 N -1.18 7.13 0.26 2.44 1.01 -1.26 -0.50 116.67 124.57 2qlw s ASP 98 Ca -0.06 1.77 0.07 0.00 0.71 0.00 0.00 52.55 55.05 2qlw s ASP 98 Cb -0.08 -2.56 -0.04 0.00 1.01 0.00 0.00 42.92 41.26 2qlw s ASP 98 CO 0.00 -0.22 0.20 -0.76 0.21 0.00 0.00 175.17 174.60 2qlw s LEU 99 N -2.61 3.78 -0.19 1.23 1.02 -0.21 -4.88 118.68 116.82 2qlw s LEU 99 Ca 0.56 -0.28 -0.08 0.00 0.02 0.00 0.00 54.13 54.35 2qlw s LEU 99 Cb -0.14 -2.32 -0.04 0.00 0.02 0.00 0.00 46.19 43.71 2qlw s LEU 99 CO 0.19 -0.07 0.07 0.54 0.02 0.00 0.00 176.35 177.10 2qlw s VAL 100 N -2.16 4.82 -0.17 -1.59 0.11 -1.26 -4.49 120.40 115.65 2qlw s VAL 100 Ca 0.34 -0.02 -0.29 0.00 -2.93 0.00 0.00 61.98 59.07 2qlw s VAL 100 Cb -0.08 -3.18 -0.00 0.00 -1.53 0.00 0.00 36.38 31.59 2qlw s VAL 100 CO 0.25 0.44 1.06 -0.89 -3.33 0.00 0.00 175.10 172.64 2qlw s THR 101 N 0.51 4.64 -0.40 5.04 2.01 -1.26 -4.91 115.64 121.27 2qlw s THR 101 Ca 0.04 1.96 0.14 0.00 0.31 0.00 0.00 61.69 64.13 2qlw s THR 101 Cb -0.13 -4.26 -0.18 0.00 0.01 0.00 0.00 72.50 67.94 2qlw s THR 101 CO 0.01 -0.11 0.48 0.18 -0.69 0.00 0.00 174.62 174.49 2qlw n LEU 102 N 5.86 0.39 -3.63 4.42 4.77 -1.26 -5.02 117.00 122.53 2qlw n LEU 102 Ca 0.11 -0.30 -0.11 0.00 -0.03 0.00 0.00 56.01 55.68 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 0.10 0.60 0.12 -1.33 0.00 0.00 177.39 177.40 2qlw s PHE 103 N -2.60 -0.61 0.21 -1.77 5.36 -1.26 -5.31 117.98 112.00 2qlw s PHE 103 Ca 0.01 1.50 0.01 0.00 -0.96 0.00 0.00 56.93 57.49 2qlw s PHE 103 Cb 0.10 0.32 -0.00 0.00 -0.34 0.00 0.00 43.02 43.10 2qlw s PHE 103 CO 0.59 -0.30 0.26 1.58 -1.46 0.00 0.00 175.22 175.88 2qlw n HIS 104 N 2.42 -0.87 0.20 10.12 -0.00 -1.26 -5.11 115.22 120.71 2qlw n HIS 104 Ca -0.13 -1.49 0.02 0.00 -0.00 0.00 0.00 57.72 56.13 2qlw n HIS 104 Cb 0.55 0.28 0.02 0.00 -0.00 0.00 0.00 29.99 30.85 2qlw n HIS 104 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04