#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q9l s LYS 2 N 0.00 4.01 0.34 2.12 1.02 -1.26 -4.90 119.74 121.06 2q9l s LYS 2 Ca 0.00 1.99 0.04 0.00 0.02 0.00 0.00 55.97 58.02 2q9l s LYS 2 Cb 0.00 -2.71 0.60 0.00 -0.52 0.00 0.00 37.83 35.20 2q9l s LYS 2 CO 0.00 -0.41 1.88 1.25 -0.92 0.00 0.00 175.35 177.16 2q9l h LEU 3 N 2.65 0.51 -0.76 3.17 5.85 -2.03 0.37 115.31 125.08 2q9l h LEU 3 Ca -0.49 -0.09 -0.13 0.00 0.84 0.00 0.00 57.88 58.01 2q9l h LEU 3 Cb 1.24 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.12 2q9l h LEU 3 CO 0.62 0.57 -0.60 0.77 -0.34 0.00 0.00 178.44 179.46 2q9l h SER 4 N 0.53 0.00 -0.17 1.25 4.64 -1.99 -2.07 113.55 115.74 2q9l h SER 4 Ca 0.12 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.29 2q9l h SER 4 Cb 0.30 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.38 2q9l h SER 4 CO 0.01 0.60 -0.41 -0.33 -0.87 0.00 0.00 176.83 175.83 2q9l h GLU 5 N 0.00 0.72 -0.12 4.77 5.08 -1.78 -1.42 114.58 121.82 2q9l h GLU 5 Ca -0.01 -0.38 -0.01 0.00 -1.00 0.00 0.00 59.36 57.97 2q9l h GLU 5 Cb 1.09 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 2q9l h GLU 5 CO 0.08 1.00 0.06 1.25 -1.00 0.00 0.00 179.01 180.39 2q9l h LEU 6 N 0.58 0.16 -0.62 1.33 5.85 -0.81 0.14 115.31 121.93 2q9l h LEU 6 Ca 0.05 -0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.67 2q9l h LEU 6 Cb 0.96 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.90 2q9l h LEU 6 CO 0.09 0.25 0.37 -0.61 -0.34 0.00 0.00 178.44 178.20 2q9l h GLN 7 N 0.06 0.68 0.01 1.25 4.15 -1.38 -0.53 115.11 119.35 2q9l h GLN 7 Ca 0.04 -0.04 -0.19 0.00 0.77 0.00 0.00 58.65 59.23 2q9l h GLN 7 Cb 0.14 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.65 2q9l h GLN 7 CO -0.00 0.45 -0.91 0.66 -1.93 0.00 0.00 178.83 177.10 2q9l h SER 8 N 0.70 0.06 -0.56 -0.69 4.64 -1.17 -1.16 113.55 115.37 2q9l h SER 8 Ca 0.26 -0.06 -0.08 0.00 -0.47 0.00 0.00 61.79 61.44 2q9l h SER 8 Cb 0.09 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.14 2q9l h SER 8 CO -0.13 0.94 0.03 0.45 -0.87 0.00 0.00 176.83 177.24 2q9l h HIS 9 N 0.02 1.06 -0.21 4.77 3.86 -0.53 -1.15 115.15 122.98 2q9l h HIS 9 Ca -0.02 -0.17 -0.08 0.00 -1.16 0.00 0.00 60.37 58.94 2q9l h HIS 9 Cb 1.59 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 29.77 2q9l h HIS 9 CO 0.01 0.95 -0.21 0.82 0.86 0.00 0.00 177.93 180.36 2q9l h ILE 10 N 0.86 1.24 -0.06 2.45 2.04 -1.07 -2.92 117.51 120.05 2q9l h ILE 10 Ca 0.16 -1.10 -0.11 0.00 1.00 0.00 0.00 64.86 64.82 2q9l h ILE 10 Cb 0.51 1.31 -0.01 0.00 -0.74 0.00 0.00 36.82 37.88 2q9l h ILE 10 CO 0.02 0.35 -0.45 0.50 0.00 0.00 0.00 178.15 178.57 2q9l h LYS 11 N 0.33 0.14 0.00 2.37 3.64 -0.93 -1.40 116.57 120.73 2q9l h LYS 11 Ca 0.06 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 2q9l h LYS 11 Cb 0.56 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.37 2q9l h LYS 11 CO 0.04 0.57 -0.15 0.93 -2.27 0.00 0.00 179.45 178.57 2q9l h GLU 12 N 0.12 0.00 0.00 1.90 5.08 -1.02 -3.33 114.58 117.34 2q9l h GLU 12 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2q9l h GLU 12 Cb 0.85 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.10 2q9l h GLU 12 CO 0.07 0.15 -0.06 1.19 -1.00 0.00 0.00 179.01 179.36 2q9l n PHE 13 N -4.36 0.00 -2.91 4.33 3.72 -1.14 -4.89 117.46 112.20 2q9l n PHE 13 Ca -0.03 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.29 2q9l n PHE 13 Cb 0.22 -0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.74 2q9l n PHE 13 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2q9l s ASP 14 N -1.11 -0.89 -0.31 4.37 2.15 -0.54 -5.10 116.67 115.25 2q9l s ASP 14 Ca 0.00 -1.91 -0.02 0.00 0.43 0.00 0.00 52.55 51.05 2q9l s ASP 14 Cb 0.01 1.46 0.11 0.00 -0.30 0.00 0.00 42.92 44.19 2q9l s ASP 14 CO 0.04 -0.08 0.13 -0.47 -0.17 0.00 0.00 175.17 174.62 2q9l s TYR 15 N 0.80 0.91 -0.55 -5.34 5.04 -1.26 -4.56 117.35 112.39 2q9l s TYR 15 Ca 0.29 -1.32 0.04 0.00 -2.44 0.00 0.00 57.07 53.64 2q9l s TYR 15 Cb 0.00 -1.22 0.16 0.00 0.35 0.00 0.00 41.96 41.25 2q9l s TYR 15 CO -0.08 -0.84 0.38 0.00 -1.34 0.00 0.00 175.55 173.67 2q9l s ALA 16 N 1.74 2.73 -0.13 3.97 0.00 -1.26 -4.98 121.76 123.83 2q9l s ALA 16 Ca 0.11 -3.13 0.29 0.00 0.00 0.00 0.00 51.96 49.22 2q9l s ALA 16 Cb -0.18 -1.94 1.31 0.00 0.00 0.00 0.00 23.12 22.31 2q9l s ALA 16 CO -0.27 -2.05 1.86 -1.00 0.00 0.00 0.00 175.76 174.30 2q9l h PRO 17 N 5.83 0.00 -0.01 0.00 0.13 -1.96 0.64 132.00 136.63 2q9l h PRO 17 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 2q9l h PRO 17 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 2q9l h PRO 17 CO 0.56 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.72 2q9l n GLU 18 N -2.57 1.07 -2.62 0.86 1.02 -1.26 -3.87 120.64 113.27 2q9l n GLU 18 Ca 0.00 -0.10 -0.26 0.00 -0.02 0.00 0.00 57.16 56.78 2q9l n GLU 18 Cb 0.19 -1.41 -0.01 0.00 -0.02 0.00 0.00 31.44 30.19 2q9l n GLU 18 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2q9l n GLN 19 N -0.79 3.30 0.21 3.49 6.02 0.22 -4.85 117.38 124.97 2q9l n GLN 19 Ca 0.19 -4.56 0.06 0.00 -0.01 0.00 0.00 57.00 52.69 2q9l n GLN 19 Cb 0.12 -2.22 0.56 0.00 1.02 0.00 0.00 30.24 29.72 2q9l n GLN 19 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 2q9l h SER 20 N 2.70 0.07 -0.17 1.08 4.64 -1.73 -2.88 113.55 117.27 2q9l h SER 20 Ca 0.24 -0.01 -0.13 0.00 -0.47 0.00 0.00 61.79 61.42 2q9l h SER 20 Cb 0.81 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 2q9l h SER 20 CO 0.83 0.12 -0.41 -0.33 -0.87 0.00 0.00 176.83 176.16 2q9l h GLU 21 N 0.08 0.58 -0.94 4.77 4.39 -1.94 -2.82 114.58 118.69 2q9l h GLU 21 Ca 0.02 -0.40 0.13 0.00 0.34 0.00 0.00 59.36 59.45 2q9l h GLU 21 Cb 0.11 0.06 -0.14 0.00 -0.10 0.00 0.00 28.75 28.68 2q9l h GLU 21 CO 0.00 1.01 -0.45 1.25 -1.16 0.00 0.00 179.01 179.66 2q9l h HIS 22 N 0.23 -1.35 -0.54 4.33 -0.00 -1.91 0.37 115.15 116.28 2q9l h HIS 22 Ca -0.00 0.11 -0.08 0.00 -0.00 0.00 0.00 60.37 60.40 2q9l h HIS 22 Cb 1.02 0.72 -0.02 0.00 -0.00 0.00 0.00 27.41 29.13 2q9l h HIS 22 CO 0.10 -0.40 0.03 1.88 -0.00 0.00 0.00 177.93 179.54 2q9l h TYR 23 N -0.03 0.95 -0.20 5.26 -1.99 -1.51 -0.29 116.97 119.16 2q9l h TYR 23 Ca 0.27 -0.13 -0.07 0.00 2.00 0.00 0.00 58.73 60.79 2q9l h TYR 23 Cb 0.54 -0.26 -0.00 0.00 2.00 0.00 0.00 36.73 39.00 2q9l h TYR 23 CO -0.90 0.85 -0.16 0.35 -0.00 0.00 0.00 178.16 178.30 2q9l h PHE 24 N 0.84 0.56 -0.51 4.88 3.57 -1.10 -0.82 116.94 124.36 2q9l h PHE 24 Ca 0.16 -0.16 0.10 0.00 3.53 0.00 0.00 57.97 61.60 2q9l h PHE 24 Cb 0.45 -0.12 -0.08 0.00 2.79 0.00 0.00 35.95 38.99 2q9l h PHE 24 CO 0.03 0.80 0.02 0.74 -2.23 0.00 0.00 178.31 177.67 2q9l h PHE 25 N 0.15 0.01 -0.57 0.41 0.04 -0.07 -2.36 116.94 114.55 2q9l h PHE 25 Ca 0.04 0.04 -0.02 0.00 2.80 0.00 0.00 57.97 60.82 2q9l h PHE 25 Cb 0.69 0.07 -0.03 0.00 2.20 0.00 0.00 35.95 38.89 2q9l h PHE 25 CO 0.07 -0.10 0.26 0.87 -0.60 0.00 0.00 178.31 178.82 2q9l h LYS 26 N 0.14 0.83 -0.28 1.51 1.79 -0.85 -1.70 116.57 118.01 2q9l h LYS 26 Ca 0.26 -0.13 0.07 0.00 -2.18 0.00 0.00 60.65 58.66 2q9l h LYS 26 Cb 0.38 -0.14 -0.08 0.00 -1.58 0.00 0.00 32.23 30.81 2q9l h LYS 26 CO -0.41 0.69 -0.26 1.25 -1.08 0.00 0.00 179.45 179.64 2q9l h LEU 27 N 0.77 -0.83 -0.85 2.94 5.85 -0.77 -0.72 115.31 121.70 2q9l h LEU 27 Ca 0.19 0.15 -0.02 0.00 0.84 0.00 0.00 57.88 59.04 2q9l h LEU 27 Cb 0.14 0.39 -0.04 0.00 0.37 0.00 0.00 40.66 41.53 2q9l h LEU 27 CO -0.02 -0.29 0.45 0.40 -0.34 0.00 0.00 178.44 178.64 2q9l h ILE 28 N -0.25 1.25 -0.46 4.05 1.08 -1.18 -1.34 117.51 120.66 2q9l h ILE 28 Ca 0.15 -0.65 0.08 0.00 -0.39 0.00 0.00 64.86 64.05 2q9l h ILE 28 Cb 0.48 0.12 -0.07 0.00 -3.07 0.00 0.00 36.82 34.28 2q9l h ILE 28 CO -0.42 0.29 0.07 -0.33 -0.69 0.00 0.00 178.15 177.07 2q9l h GLU 29 N 1.19 0.19 -0.48 2.37 5.08 -0.69 -1.30 114.58 120.94 2q9l h GLU 29 Ca 0.30 -0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 58.51 2q9l h GLU 29 Cb 0.05 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 2q9l h GLU 29 CO -0.05 0.13 -0.22 0.93 -1.00 0.00 0.00 179.01 178.80 2q9l h GLU 30 N 0.20 1.01 -0.91 2.33 4.39 -0.41 -0.86 114.58 120.32 2q9l h GLU 30 Ca 0.23 -0.43 0.04 0.00 0.34 0.00 0.00 59.36 59.54 2q9l h GLU 30 Cb 0.31 -0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 28.87 2q9l h GLU 30 CO -0.32 1.11 0.59 0.28 -1.16 0.00 0.00 179.01 179.51 2q9l h VAL 31 N 0.86 1.13 -0.49 3.13 2.07 -1.18 0.15 116.25 121.93 2q9l h VAL 31 Ca 0.11 -0.39 0.01 0.00 0.82 0.00 0.00 66.70 67.25 2q9l h VAL 31 Cb 0.81 -0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 2q9l h VAL 31 CO 0.07 0.20 0.32 1.23 0.02 0.00 0.00 177.57 179.42 2q9l h GLY 32 N 1.12 0.69 1.57 2.17 0.00 -0.80 -1.04 103.07 106.78 2q9l h GLY 32 Ca 0.37 -0.25 -0.09 0.00 0.00 0.00 0.00 47.33 47.36 2q9l h GLY 32 CO -0.13 0.25 -0.20 0.83 0.00 0.00 0.00 176.54 177.28 2q9l h GLU 33 N 0.66 0.50 -0.36 4.80 5.08 -0.72 -2.64 114.58 121.90 2q9l h GLU 33 Ca 0.18 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2q9l h GLU 33 Cb -0.07 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 2q9l h GLU 33 CO -0.04 0.68 0.18 1.25 -1.00 0.00 0.00 179.01 180.08 2q9l h LEU 34 N 0.45 0.47 -0.77 1.33 5.85 -0.47 -1.68 115.31 120.50 2q9l h LEU 34 Ca 0.07 -0.12 0.13 0.00 0.84 0.00 0.00 57.88 58.80 2q9l h LEU 34 Cb 0.61 -0.12 -0.09 0.00 0.37 0.00 0.00 40.66 41.43 2q9l h LEU 34 CO 0.04 0.46 0.35 -1.28 -0.34 0.00 0.00 178.44 177.68 2q9l h SER 35 N 0.45 0.39 -0.41 1.25 0.87 -1.03 -1.07 113.55 114.00 2q9l h SER 35 Ca 0.13 0.09 -0.03 0.00 -1.23 0.00 0.00 61.79 60.75 2q9l h SER 35 Cb 0.11 0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.09 2q9l h SER 35 CO -0.02 0.18 0.14 -0.08 -0.53 0.00 0.00 176.83 176.52 2q9l h GLU 36 N 0.53 0.63 -0.65 2.24 4.81 -1.12 -1.45 114.58 119.56 2q9l h GLU 36 Ca 0.41 -0.13 -0.07 0.00 -0.13 0.00 0.00 59.36 59.44 2q9l h GLU 36 Cb 0.57 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.83 2q9l h GLU 36 CO -0.36 0.62 0.12 0.66 -0.73 0.00 0.00 179.01 179.32 2q9l h SER 37 N 0.51 1.01 -0.38 1.04 4.64 -0.62 -1.16 113.55 118.59 2q9l h SER 37 Ca 0.13 -0.22 -0.09 0.00 -0.47 0.00 0.00 61.79 61.14 2q9l h SER 37 Cb 0.24 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.06 2q9l h SER 37 CO -0.01 0.99 -0.10 0.40 -0.87 0.00 0.00 176.83 177.24 2q9l h ILE 38 N 1.00 1.28 -0.93 0.95 2.04 -1.18 -1.60 117.51 119.07 2q9l h ILE 38 Ca 0.20 -1.19 0.05 0.00 1.00 0.00 0.00 64.86 64.92 2q9l h ILE 38 Cb 0.40 1.27 -0.06 0.00 -0.74 0.00 0.00 36.82 37.69 2q9l h ILE 38 CO 0.01 0.40 0.60 -0.09 0.00 0.00 0.00 178.15 179.06 2q9l h ARG 39 N 0.54 1.09 -0.00 2.37 2.43 -1.05 -1.21 114.38 118.55 2q9l h ARG 39 Ca 0.09 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 2q9l h ARG 39 Cb 0.62 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 2q9l h ARG 39 CO 0.04 0.72 -0.02 1.63 -1.51 0.00 0.00 179.97 180.84 2q9l n LYS 40 N -4.53 0.40 -2.16 0.20 5.02 -0.46 -4.93 118.16 111.71 2q9l n LYS 40 Ca 0.13 -0.02 -0.07 0.00 -2.02 0.00 0.00 58.31 56.33 2q9l n LYS 40 Cb 0.13 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 33.64 2q9l n LYS 40 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2q9l n GLY 41 N 1.31 0.11 2.62 0.72 0.00 -0.46 -4.93 105.19 104.56 2q9l n GLY 41 Ca 0.13 -0.59 -0.41 0.00 0.00 0.00 0.00 46.02 45.15 2q9l n GLY 41 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2q9l n LYS 42 N -1.66 3.98 -2.62 1.61 5.02 -0.66 -4.93 118.16 118.90 2q9l n LYS 42 Ca -0.08 -3.26 -0.21 0.00 -2.02 0.00 0.00 58.31 52.75 2q9l n LYS 42 Cb 0.56 -2.82 0.10 0.00 -0.02 0.00 0.00 35.03 32.85 2q9l n LYS 42 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2q9l n SER 43 N 3.11 1.55 0.00 4.39 7.64 -1.26 -1.05 113.62 128.00 2q9l n SER 43 Ca 0.55 -2.22 0.00 0.00 1.01 0.00 0.00 58.87 58.21 2q9l n SER 43 Cb 0.30 -0.54 0.00 0.00 -1.01 0.00 0.00 64.21 62.96 2q9l n SER 43 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2q9l n GLY 44 N -2.12 -2.27 3.19 0.23 0.00 -1.26 -4.86 105.19 98.10 2q9l n GLY 44 Ca 0.16 -1.79 -0.38 0.00 0.00 0.00 0.00 46.02 44.01 2q9l n GLY 44 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2q9l s GLN 45 N -0.26 2.34 0.49 1.61 2.00 -1.26 -4.57 119.66 120.02 2q9l s GLN 45 Ca 0.00 -1.55 -0.21 0.00 -2.00 0.00 0.00 55.36 51.60 2q9l s GLN 45 Cb 0.00 -3.58 -0.08 0.00 0.80 0.00 0.00 33.01 30.15 2q9l s GLN 45 CO 0.00 -0.93 1.06 -1.25 -0.50 0.00 0.00 175.29 173.67 2q9l s PRO 46 N 1.28 3.74 1.18 1.67 0.04 -1.26 -5.06 135.00 136.59 2q9l s PRO 46 Ca 0.03 1.44 -0.20 0.00 0.04 0.00 0.00 61.00 62.32 2q9l s PRO 46 Cb -0.22 -2.13 0.29 0.00 0.04 0.00 0.00 34.50 32.48 2q9l s PRO 46 CO -0.01 -0.49 1.01 0.25 0.04 0.00 0.00 177.00 177.80 2q9l n THR 47 N -0.93 0.00 -0.30 1.26 -2.24 -1.26 -4.85 114.28 105.95 2q9l n THR 47 Ca 0.09 -0.42 -0.05 0.00 -2.27 0.00 0.00 64.05 61.41 2q9l n THR 47 Cb 0.52 -1.20 0.07 0.00 -2.10 0.00 0.00 70.33 67.62 2q9l n THR 47 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2q9l h LEU 48 N 0.00 1.03 -0.05 3.22 5.85 -2.01 -2.67 115.31 120.68 2q9l h LEU 48 Ca -0.39 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.24 2q9l h LEU 48 Cb 1.19 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.96 2q9l h LEU 48 CO 0.25 0.83 -0.13 -0.90 -0.34 0.00 0.00 178.44 178.15 2q9l n ASP 49 N -4.40 0.21 -0.06 1.25 5.75 -1.26 -3.00 116.55 115.04 2q9l n ASP 49 Ca 0.08 0.03 0.11 0.00 -0.01 0.00 0.00 54.79 55.00 2q9l n ASP 49 Cb 0.09 -0.22 0.11 0.00 -1.03 0.00 0.00 41.12 40.07 2q9l n ASP 49 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2q9l n GLU 50 N -1.35 0.18 -0.12 0.11 1.02 -1.04 -4.72 120.64 114.72 2q9l n GLU 50 Ca 0.09 -0.13 -0.08 0.00 -0.02 0.00 0.00 57.16 57.02 2q9l n GLU 50 Cb 0.31 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.23 2q9l n GLU 50 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2q9l h LEU 51 N 0.31 0.44 -9.30 -4.62 5.85 -1.39 -3.40 115.31 103.20 2q9l h LEU 51 Ca 0.00 -0.04 -0.55 0.00 0.84 0.00 0.00 57.88 58.13 2q9l h LEU 51 Cb 0.52 -0.11 0.02 0.00 0.37 0.00 0.00 40.66 41.46 2q9l h LEU 51 CO 0.00 0.35 1.24 1.17 -0.34 0.00 0.00 178.44 180.86 2q9l n LYS 52 N -4.80 2.66 -0.62 1.25 4.81 -1.26 -1.74 118.16 118.45 2q9l n LYS 52 Ca -0.00 0.96 0.00 0.00 -0.87 0.00 0.00 58.31 58.40 2q9l n LYS 52 Cb 0.04 -2.97 0.00 0.00 0.02 0.00 0.00 35.03 32.12 2q9l n LYS 52 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2q9l n GLY 53 N 4.66 0.78 3.85 3.14 0.00 -1.26 -5.04 105.19 111.32 2q9l n GLY 53 Ca 0.22 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 2q9l n GLY 53 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2q9l s SER 54 N -2.70 6.52 0.31 1.61 1.04 -0.71 -4.64 113.70 115.12 2q9l s SER 54 Ca 0.00 1.46 0.03 0.00 0.48 0.00 0.00 55.95 57.92 2q9l s SER 54 Cb 0.00 -2.47 0.62 0.00 0.10 0.00 0.00 66.02 64.27 2q9l s SER 54 CO 0.00 -0.62 1.87 0.58 0.98 0.00 0.00 173.24 176.05 2q9l h VAL 55 N 0.67 0.94 -0.05 5.02 2.07 -1.36 -2.48 116.25 121.06 2q9l h VAL 55 Ca -0.46 -0.32 0.01 0.00 0.82 0.00 0.00 66.70 66.75 2q9l h VAL 55 Cb 1.19 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 2q9l h VAL 55 CO 0.62 0.17 0.00 0.00 0.02 0.00 0.00 177.57 178.38 2q9l h ALA 56 N 1.55 0.04 -0.01 1.67 0.00 -1.81 0.81 119.26 121.51 2q9l h ALA 56 Ca 0.45 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.39 2q9l h ALA 56 Cb 0.46 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2q9l h ALA 56 CO -0.21 -0.48 -0.04 1.49 0.00 0.00 0.00 179.25 180.00 2q9l h GLU 57 N 0.02 -0.07 -0.37 0.00 4.81 -1.70 -1.52 114.58 115.74 2q9l h GLU 57 Ca 0.02 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.19 2q9l h GLU 57 Cb 0.02 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 2q9l h GLU 57 CO -0.04 -0.05 -0.04 0.93 -0.73 0.00 0.00 179.01 179.08 2q9l h GLU 58 N -0.07 0.61 -0.25 1.92 4.39 -1.36 0.23 114.58 120.04 2q9l h GLU 58 Ca 0.02 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.57 2q9l h GLU 58 Cb 0.10 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 2q9l h GLU 58 CO -0.06 0.67 0.16 -0.07 -1.16 0.00 0.00 179.01 178.55 2q9l h LEU 59 N 0.57 0.30 -0.51 1.33 3.38 -0.65 -1.46 115.31 118.26 2q9l h LEU 59 Ca 0.11 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 2q9l h LEU 59 Cb 0.43 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 2q9l h LEU 59 CO 0.02 0.24 0.25 0.22 0.09 0.00 0.00 178.44 179.25 2q9l h TYR 60 N 0.33 0.74 -0.51 1.13 3.20 -0.73 -1.80 116.97 119.33 2q9l h TYR 60 Ca 0.09 -0.04 -0.05 0.00 3.14 0.00 0.00 58.73 61.87 2q9l h TYR 60 Cb -0.01 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.01 2q9l h TYR 60 CO -0.05 0.58 0.10 -0.44 -1.64 0.00 0.00 178.16 176.71 2q9l h ASP 61 N 0.68 0.73 -0.38 -2.11 3.32 -0.40 0.16 116.42 118.43 2q9l h ASP 61 Ca 0.18 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 2q9l h ASP 61 Cb 0.12 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 2q9l h ASP 61 CO -0.02 0.74 0.19 0.58 -1.72 0.00 0.00 179.24 179.00 2q9l h VAL 62 N 0.76 1.16 -0.39 -1.35 2.07 -1.17 -2.94 116.25 114.39 2q9l h VAL 62 Ca 0.16 -0.46 0.05 0.00 0.82 0.00 0.00 66.70 67.27 2q9l h VAL 62 Cb 0.31 0.78 -0.05 0.00 -1.52 0.00 0.00 31.29 30.82 2q9l h VAL 62 CO 0.00 0.17 0.12 0.25 0.02 0.00 0.00 177.57 178.13 2q9l h LEU 63 N 0.47 0.10 -0.55 2.57 5.85 -0.34 -0.42 115.31 122.99 2q9l h LEU 63 Ca 0.13 0.05 0.10 0.00 0.84 0.00 0.00 57.88 59.00 2q9l h LEU 63 Cb 0.11 0.05 -0.11 0.00 0.37 0.00 0.00 40.66 41.08 2q9l h LEU 63 CO -0.02 0.09 -0.28 0.22 -0.34 0.00 0.00 178.44 178.11 2q9l h TYR 64 N 0.26 -0.76 0.00 1.25 3.20 -0.71 -0.97 116.97 119.24 2q9l h TYR 64 Ca 0.18 0.06 -0.12 0.00 3.14 0.00 0.00 58.73 61.99 2q9l h TYR 64 Cb 0.18 0.42 -0.02 0.00 1.54 0.00 0.00 36.73 38.85 2q9l h TYR 64 CO -0.16 -0.35 -0.58 1.88 -1.64 0.00 0.00 178.16 177.30 2q9l h TYR 65 N -0.15 0.00 0.08 -3.82 -1.99 -1.26 0.25 116.97 110.08 2q9l h TYR 65 Ca 0.23 0.00 0.02 0.00 2.00 0.00 0.00 58.73 60.99 2q9l h TYR 65 Cb 0.53 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.22 2q9l h TYR 65 CO -0.58 0.58 -0.23 0.28 -0.00 0.00 0.00 178.16 178.22 2q9l h VAL 66 N 0.00 0.47 -0.51 -2.88 2.07 -0.45 0.99 116.25 115.94 2q9l h VAL 66 Ca -0.01 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 2q9l h VAL 66 Cb 1.07 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 2q9l h VAL 66 CO 0.08 0.00 0.25 0.00 0.02 0.00 0.00 177.57 177.91 2q9l h ALA 68 N 1.09 0.95 -0.59 0.00 0.00 -0.39 -1.30 119.26 119.02 2q9l h ALA 68 Ca 0.18 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 2q9l h ALA 68 Cb 0.11 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2q9l h ALA 68 CO -0.02 0.67 0.06 -0.07 0.00 0.00 0.00 179.25 179.90 2q9l h LEU 69 N 1.09 0.97 -0.22 0.00 3.38 -0.61 -2.36 115.31 117.56 2q9l h LEU 69 Ca 0.23 -0.28 0.05 0.00 0.09 0.00 0.00 57.88 57.97 2q9l h LEU 69 Cb 0.37 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.82 2q9l h LEU 69 CO 0.00 1.00 -0.09 0.00 0.09 0.00 0.00 178.44 179.45 2q9l h ALA 70 N 1.00 0.10 -0.08 1.53 0.00 -0.48 0.16 119.26 121.49 2q9l h ALA 70 Ca 0.18 0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.21 2q9l h ALA 70 Cb 0.47 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 2q9l h ALA 70 CO 0.02 -0.51 -0.27 -0.91 0.00 0.00 0.00 179.25 177.58 2q9l h ASN 71 N -0.06 -0.83 -0.90 0.00 2.35 -1.17 0.44 115.58 115.42 2q9l h ASN 71 Ca 0.11 0.12 0.11 0.00 -0.55 0.00 0.00 56.30 56.10 2q9l h ASN 71 Cb 0.23 0.35 -0.07 0.00 0.05 0.00 0.00 38.32 38.88 2q9l h ASN 71 CO -0.26 -0.33 0.58 0.40 -1.65 0.00 0.00 177.43 176.17 2q9l h ILE 72 N -0.37 0.93 -0.51 2.81 1.08 -1.12 -2.43 117.51 117.90 2q9l h ILE 72 Ca 0.09 -0.29 0.00 0.00 -0.39 0.00 0.00 64.86 64.27 2q9l h ILE 72 Cb 0.49 0.02 0.00 0.00 -3.07 0.00 0.00 36.82 34.26 2q9l h ILE 72 CO -0.29 0.15 0.00 1.41 -0.69 0.00 0.00 178.15 178.73 2q9l n HIS 73 N -4.55 0.67 -1.75 1.37 8.25 0.54 -4.92 115.22 114.84 2q9l n HIS 73 Ca 0.16 -0.34 -0.10 0.00 -0.26 0.00 0.00 57.72 57.18 2q9l n HIS 73 Cb 0.36 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.44 2q9l n HIS 73 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2q9l n GLY 74 N 1.42 0.55 3.71 -1.41 0.00 -0.65 -4.99 105.19 103.81 2q9l n GLY 74 Ca 0.19 -0.51 -0.38 0.00 0.00 0.00 0.00 46.02 45.32 2q9l n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2q9l s VAL 75 N -2.45 5.18 -0.40 1.61 1.01 0.15 -5.01 120.40 120.49 2q9l s VAL 75 Ca 0.00 0.92 -0.17 0.00 0.00 0.00 0.00 61.98 62.73 2q9l s VAL 75 Cb 0.00 -3.81 0.01 0.00 0.00 0.00 0.00 36.38 32.58 2q9l s VAL 75 CO 0.00 0.29 0.42 0.21 0.00 0.00 0.00 175.10 176.02 2q9l s ASN 76 N 0.76 6.20 0.14 3.32 3.84 -1.26 -4.19 114.94 123.75 2q9l s ASN 76 Ca 0.25 -0.54 -0.07 0.00 0.21 0.00 0.00 52.86 52.71 2q9l s ASN 76 Cb -0.15 -2.22 -0.05 0.00 -0.55 0.00 0.00 41.25 38.28 2q9l s ASN 76 CO 0.10 -0.52 1.37 -0.07 -2.79 0.00 0.00 177.10 175.19 2q9l h LEU 77 N 8.98 0.73 -0.76 3.21 3.38 -1.95 -1.80 115.31 127.11 2q9l h LEU 77 Ca -0.27 -0.47 -0.07 0.00 0.09 0.00 0.00 57.88 57.16 2q9l h LEU 77 Cb 1.12 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.63 2q9l h LEU 77 CO 0.77 1.24 0.14 -0.08 0.09 0.00 0.00 178.44 180.60 2q9l h GLU 78 N 0.42 1.08 -0.08 1.13 4.81 -1.93 0.14 114.58 120.15 2q9l h GLU 78 Ca -0.04 -0.27 -0.17 0.00 -0.13 0.00 0.00 59.36 58.75 2q9l h GLU 78 Cb 1.34 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 2q9l h GLU 78 CO 0.14 0.97 -0.68 -0.22 -0.73 0.00 0.00 179.01 178.49 2q9l h LYS 79 N 1.02 0.36 -0.22 1.92 1.63 -1.98 -2.72 116.57 116.59 2q9l h LYS 79 Ca 0.21 -0.28 -0.04 0.00 -0.85 0.00 0.00 60.65 59.69 2q9l h LYS 79 Cb 0.39 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.07 2q9l h LYS 79 CO 0.01 0.91 -0.01 1.15 -3.45 0.00 0.00 179.45 178.06 2q9l h THR 80 N 0.25 1.26 -0.83 1.00 2.02 -1.09 -2.52 112.91 113.00 2q9l h THR 80 Ca -0.02 -0.91 0.19 0.00 0.77 0.00 0.00 66.41 66.44 2q9l h THR 80 Cb 1.24 1.42 -0.12 0.00 -1.74 0.00 0.00 68.15 68.95 2q9l h THR 80 CO 0.11 0.28 0.28 -0.74 0.37 0.00 0.00 175.52 175.82 2q9l h HIS 81 N 0.16 0.45 -0.26 3.16 -0.00 -0.72 -1.29 115.15 116.66 2q9l h HIS 81 Ca 0.06 0.04 -0.03 0.00 -0.00 0.00 0.00 60.37 60.45 2q9l h HIS 81 Cb 0.42 -0.07 -0.01 0.00 -0.00 0.00 0.00 27.41 27.75 2q9l h HIS 81 CO 0.04 -0.08 0.04 0.93 -0.00 0.00 0.00 177.93 178.86 2q9l h GLU 82 N 0.32 0.42 -0.65 5.26 5.08 -1.26 -1.94 114.58 121.82 2q9l h GLU 82 Ca 0.49 -0.11 0.01 0.00 -1.00 0.00 0.00 59.36 58.75 2q9l h GLU 82 Cb 0.90 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.07 2q9l h GLU 82 CO -0.54 0.54 0.43 -0.07 -1.00 0.00 0.00 179.01 178.37 2q9l h LEU 83 N 0.23 0.72 -1.11 1.33 3.38 -1.00 -1.82 115.31 117.04 2q9l h LEU 83 Ca 0.08 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 2q9l h LEU 83 Cb 0.32 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 2q9l h LEU 83 CO 0.00 0.52 0.04 0.11 0.09 0.00 0.00 178.44 179.21 2q9l h LYS 84 N 0.85 0.67 -0.69 1.13 1.79 -0.92 -2.23 116.57 117.17 2q9l h LYS 84 Ca 0.24 -0.15 0.03 0.00 -2.18 0.00 0.00 60.65 58.59 2q9l h LYS 84 Cb -0.06 -0.10 -0.04 0.00 -1.58 0.00 0.00 32.23 30.45 2q9l h LYS 84 CO -0.06 0.66 0.46 0.93 -1.08 0.00 0.00 179.45 180.35 2q9l h GLU 85 N 0.64 0.84 0.03 3.15 4.39 -0.56 -0.04 114.58 123.03 2q9l h GLU 85 Ca 0.14 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.78 2q9l h GLU 85 Cb 0.34 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 2q9l h GLU 85 CO 0.01 0.55 -0.01 0.28 -1.16 0.00 0.00 179.01 178.68 2q9l h VAL 86 N 0.86 1.29 -0.89 3.13 2.07 -1.09 -2.68 116.25 118.95 2q9l h VAL 86 Ca 0.27 -1.06 0.11 0.00 0.82 0.00 0.00 66.70 66.84 2q9l h VAL 86 Cb 0.01 2.00 -0.08 0.00 -1.52 0.00 0.00 31.29 31.70 2q9l h VAL 86 CO -0.07 0.27 0.52 -0.07 0.02 0.00 0.00 177.57 178.24 2q9l h LEU 87 N -0.51 0.75 -0.02 2.57 3.38 -1.30 -1.99 115.31 118.19 2q9l h LEU 87 Ca -0.00 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2q9l h LEU 87 Cb 0.47 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.13 2q9l h LEU 87 CO 0.01 0.41 0.00 0.59 0.09 0.00 0.00 178.44 179.53 2q9l n ASN 88 N -4.71 0.05 -0.06 -0.43 5.03 -0.04 -2.70 115.26 112.39 2q9l n ASN 88 Ca 0.16 0.51 -0.06 0.00 0.87 0.00 0.00 54.58 56.06 2q9l n ASN 88 Cb 0.32 -0.52 -0.15 0.00 -1.02 0.00 0.00 39.78 38.41 2q9l n ASN 88 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 2q9l n LYS 89 N -1.55 0.67 0.00 3.52 5.02 -0.94 -5.07 118.16 119.82 2q9l n LYS 89 Ca 0.05 0.02 0.15 0.00 -2.02 0.00 0.00 58.31 56.52 2q9l n LYS 89 Cb 0.27 -1.58 0.70 0.00 -0.02 0.00 0.00 35.03 34.40 2q9l n LYS 89 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16