#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hqi n THR 2 N 0.00 0.00 -3.70 0.00 5.66 -1.26 -4.68 114.28 110.30 2hqi n THR 2 Ca 0.00 0.06 -0.29 0.00 -3.05 0.00 0.00 64.05 60.76 2hqi n THR 2 Cb 0.00 -0.19 -0.13 0.00 -1.55 0.00 0.00 70.33 68.46 2hqi n THR 2 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 175.07 170.44 2hqi s GLN 3 N -2.07 1.29 -0.71 1.09 -0.44 0.73 -4.72 119.66 114.81 2hqi s GLN 3 Ca 0.00 -2.03 0.05 0.00 -2.50 0.00 0.00 55.36 50.88 2hqi s GLN 3 Cb 0.00 -2.30 0.17 0.00 -1.64 0.00 0.00 33.01 29.24 2hqi s GLN 3 CO 0.00 -1.18 0.50 -0.08 0.50 0.00 0.00 175.29 175.04 2hqi s THR 4 N 0.31 2.94 0.00 -0.34 -1.32 -1.25 0.19 115.64 116.17 2hqi s THR 4 Ca 0.18 -4.29 0.00 0.00 -1.21 0.00 0.00 61.69 56.37 2hqi s THR 4 Cb -0.22 -2.93 0.00 0.00 -1.51 0.00 0.00 72.50 67.84 2hqi s THR 4 CO -0.01 -1.01 0.00 0.52 -2.21 0.00 0.00 174.62 171.91 2hqi n VAL 5 N 1.96 0.00 -2.72 5.08 0.31 -0.85 -4.96 118.33 117.15 2hqi n VAL 5 Ca 0.20 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.24 2hqi n VAL 5 Cb 0.35 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.27 2hqi n VAL 5 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 2hqi s THR 6 N -2.88 4.86 0.02 2.52 2.01 0.47 -1.95 115.64 120.70 2hqi s THR 6 Ca 0.00 0.36 -0.00 0.00 0.31 0.00 0.00 61.69 62.36 2hqi s THR 6 Cb 0.00 -3.81 -0.02 0.00 0.01 0.00 0.00 72.50 68.68 2hqi s THR 6 CO 0.00 -0.72 -0.03 -0.76 -0.69 0.00 0.00 174.62 172.43 2hqi s LEU 7 N -4.38 2.23 0.25 4.42 1.02 0.69 0.26 118.68 123.16 2hqi s LEU 7 Ca 0.49 -0.50 -0.21 0.00 0.02 0.00 0.00 54.13 53.92 2hqi s LEU 7 Cb -0.10 0.12 -0.09 0.00 0.02 0.00 0.00 46.19 46.13 2hqi s LEU 7 CO 0.40 -0.31 0.79 0.00 0.02 0.00 0.00 176.35 177.25 2hqi s ALA 8 N -1.51 3.35 -0.70 4.21 0.00 0.26 0.85 121.76 128.23 2hqi s ALA 8 Ca -0.16 0.27 0.05 0.00 0.00 0.00 0.00 51.96 52.12 2hqi s ALA 8 Cb -0.10 -2.92 0.17 0.00 0.00 0.00 0.00 23.12 20.27 2hqi s ALA 8 CO -0.01 0.28 0.49 0.08 0.00 0.00 0.00 175.76 176.60 2hqi s VAL 9 N -1.55 2.79 1.01 0.00 1.01 -1.23 -0.77 120.40 121.66 2hqi s VAL 9 Ca 0.45 -4.23 -0.22 0.00 0.00 0.00 0.00 61.98 57.98 2hqi s VAL 9 Cb -0.17 -2.84 -0.12 0.00 0.00 0.00 0.00 36.38 33.25 2hqi s VAL 9 CO 0.22 -1.02 -0.91 -2.65 0.00 0.00 0.00 175.10 170.74 2hqi n PRO 10 N 1.98 -0.24 0.00 2.72 -0.02 -1.25 -3.62 135.00 134.58 2hqi n PRO 10 Ca 0.20 -0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 2hqi n PRO 10 Cb 0.36 -1.17 0.00 0.00 -0.02 0.00 0.00 33.50 32.66 2hqi n PRO 10 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2hqi n GLY 11 N 3.11 2.83 5.00 -1.23 0.00 -1.26 -4.01 105.19 109.63 2hqi n GLY 11 Ca -0.01 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.28 2hqi n GLY 11 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2hqi n MET 12 N 0.00 0.00 0.00 1.61 2.81 -1.24 -2.23 117.12 118.08 2hqi n MET 12 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 2hqi n MET 12 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.51 2hqi n MET 12 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 2hqi n THR 13 N 0.00 0.00 0.20 2.03 5.66 -1.26 -4.36 114.28 116.55 2hqi n THR 13 Ca 0.00 0.00 0.13 0.00 -3.05 0.00 0.00 64.05 61.13 2hqi n THR 13 Cb 0.00 0.00 0.66 0.00 -1.55 0.00 0.00 70.33 69.44 2hqi n THR 13 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2hqi n ALA 15 N -1.82 0.00 0.00 0.00 0.00 -1.26 -4.96 120.51 112.47 2hqi n ALA 15 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2hqi n ALA 15 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.50 2hqi n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hqi n ALA 16 N 0.00 0.00 0.01 0.00 0.00 -1.26 -5.05 120.51 114.21 2hqi n ALA 16 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 2hqi n ALA 16 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 2hqi n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hqi h PRO 18 N -0.15 0.35 -1.16 0.00 0.13 -1.87 -2.64 132.00 126.66 2hqi h PRO 18 Ca -0.37 -0.26 0.33 0.00 -0.87 0.00 0.00 66.00 64.83 2hqi h PRO 18 Cb 1.89 0.05 -0.06 0.00 0.13 0.00 0.00 31.00 33.00 2hqi h PRO 18 CO 0.06 0.88 0.81 0.82 -0.23 0.00 0.00 178.00 180.35 2hqi h ILE 19 N 0.26 0.42 0.18 -3.56 2.04 -1.87 0.37 117.51 115.35 2hqi h ILE 19 Ca -0.01 -0.04 -0.35 0.00 1.00 0.00 0.00 64.86 65.46 2hqi h ILE 19 Cb 1.19 0.30 0.01 0.00 -0.74 0.00 0.00 36.82 37.58 2hqi h ILE 19 CO 0.11 0.02 -1.76 0.71 0.00 0.00 0.00 178.15 177.23 2hqi h THR 20 N 0.11 0.92 -0.72 -0.27 1.35 -1.68 -3.35 112.91 109.27 2hqi h THR 20 Ca 0.59 -2.49 0.14 0.00 -0.55 0.00 0.00 66.41 64.09 2hqi h THR 20 Cb 2.09 2.75 -0.13 0.00 -1.73 0.00 0.00 68.15 71.12 2hqi h THR 20 CO -0.11 0.86 -0.25 0.58 -0.25 0.00 0.00 175.52 176.35 2hqi h VAL 21 N 0.09 0.20 -0.13 6.82 2.07 0.05 1.09 116.25 126.45 2hqi h VAL 21 Ca -0.35 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.18 2hqi h VAL 21 Cb 2.08 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 32.03 2hqi h VAL 21 CO 0.17 0.00 -0.15 0.50 0.02 0.00 0.00 177.57 178.11 2hqi h LYS 22 N -0.05 -0.09 -0.51 1.57 3.11 -1.52 0.20 116.57 119.29 2hqi h LYS 22 Ca 0.32 0.01 0.06 0.00 -2.81 0.00 0.00 60.65 58.22 2hqi h LYS 22 Cb 0.55 0.02 -0.05 0.00 -1.00 0.00 0.00 32.23 31.75 2hqi h LYS 22 CO -0.76 -0.06 0.22 0.87 -2.81 0.00 0.00 179.45 176.92 2hqi h LYS 23 N -0.09 0.42 -0.96 1.90 1.57 -1.42 -0.56 116.57 117.42 2hqi h LYS 23 Ca 0.02 -0.03 0.30 0.00 -1.87 0.00 0.00 60.65 59.07 2hqi h LYS 23 Cb 0.15 -0.09 -0.15 0.00 0.08 0.00 0.00 32.23 32.21 2hqi h LYS 23 CO -0.17 0.28 0.44 0.00 -0.57 0.00 0.00 179.45 179.43 2hqi h ALA 24 N 1.31 1.72 -0.08 3.86 0.00 0.27 2.16 119.26 128.50 2hqi h ALA 24 Ca 0.24 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.36 2hqi h ALA 24 Cb 0.21 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2hqi h ALA 24 CO -0.21 -0.56 0.00 1.28 0.00 0.00 0.00 179.25 179.77 2hqi n LEU 25 N -5.14 0.01 0.00 0.00 4.77 0.56 -1.85 117.00 115.36 2hqi n LEU 25 Ca 0.28 0.91 0.01 0.00 -0.03 0.00 0.00 56.01 57.19 2hqi n LEU 25 Cb 0.90 -0.49 0.06 0.00 -2.33 0.00 0.00 43.42 41.56 2hqi n LEU 25 CO 0.07 -0.49 0.51 -0.24 -1.33 0.00 0.00 177.39 175.92 2hqi n SER 26 N -1.96 0.00 0.09 -1.43 2.88 -0.72 -1.66 113.62 110.83 2hqi n SER 26 Ca 0.00 0.43 -0.17 0.00 -1.33 0.00 0.00 58.87 57.80 2hqi n SER 26 Cb 0.00 -0.44 -0.14 0.00 -0.75 0.00 0.00 64.21 62.88 2hqi n SER 26 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 2hqi h LYS 27 N 0.00 0.28 0.00 -1.46 3.64 0.39 -3.43 116.57 115.99 2hqi h LYS 27 Ca 0.00 -0.49 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 2hqi h LYS 27 Cb 0.04 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 2hqi h LYS 27 CO 0.00 1.20 0.00 0.28 -2.27 0.00 0.00 179.45 178.66 2hqi n VAL 28 N -3.52 0.00 -2.28 2.00 0.31 -0.66 -4.99 118.33 109.18 2hqi n VAL 28 Ca -0.11 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 63.93 2hqi n VAL 28 Cb 1.04 -1.42 0.01 0.00 -0.91 0.00 0.00 33.84 32.55 2hqi n VAL 28 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2hqi s GLU 29 N -2.19 3.41 0.00 5.55 8.01 -1.26 -3.87 118.70 128.35 2hqi s GLU 29 Ca 0.00 0.38 0.00 0.00 0.01 0.00 0.00 54.97 55.36 2hqi s GLU 29 Cb 0.00 -2.23 0.00 0.00 -4.31 0.00 0.00 34.13 27.59 2hqi s GLU 29 CO 0.00 -0.47 0.00 0.41 0.01 0.00 0.00 175.26 175.21 2hqi n GLY 30 N -2.54 3.13 3.12 -1.39 0.00 -1.25 -4.56 105.19 101.71 2hqi n GLY 30 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 2hqi n GLY 30 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2hqi n VAL 31 N -1.90 0.10 0.06 1.61 3.14 -1.25 0.06 118.33 120.15 2hqi n VAL 31 Ca 0.00 -0.48 0.00 0.00 -2.96 0.00 0.00 64.34 60.90 2hqi n VAL 31 Cb 0.00 -0.07 0.00 0.00 -1.06 0.00 0.00 33.84 32.71 2hqi n VAL 31 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 2hqi n SER 32 N 2.76 -1.00 -3.89 6.55 7.64 -1.09 -4.67 113.62 119.91 2hqi n SER 32 Ca 0.02 0.30 -0.21 0.00 1.01 0.00 0.00 58.87 59.99 2hqi n SER 32 Cb 0.53 1.18 -0.17 0.00 -1.01 0.00 0.00 64.21 64.74 2hqi n SER 32 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2hqi s LYS 33 N -2.00 0.91 -0.41 1.43 2.36 -0.30 -4.92 119.74 116.81 2hqi s LYS 33 Ca 0.00 -0.11 0.01 0.00 -2.55 0.00 0.00 55.97 53.33 2hqi s LYS 33 Cb 0.00 -0.95 0.14 0.00 -1.05 0.00 0.00 37.83 35.97 2hqi s LYS 33 CO 0.00 -0.11 0.23 0.54 1.55 0.00 0.00 175.35 177.55 2hqi s VAL 34 N 1.09 1.05 -0.92 4.02 0.11 -1.26 0.26 120.40 124.75 2hqi s VAL 34 Ca -0.08 -2.29 -0.14 0.00 -2.93 0.00 0.00 61.98 56.54 2hqi s VAL 34 Cb -0.14 -1.74 0.21 0.00 -1.53 0.00 0.00 36.38 33.18 2hqi s VAL 34 CO -0.01 -0.91 0.92 -0.62 -3.33 0.00 0.00 175.10 171.15 2hqi s ASP 35 N 0.59 6.87 0.07 3.54 2.15 0.87 -4.92 116.67 125.84 2hqi s ASP 35 Ca 0.17 -2.78 0.01 0.00 0.43 0.00 0.00 52.55 50.38 2hqi s ASP 35 Cb -0.24 -2.25 -0.04 0.00 -0.30 0.00 0.00 42.92 40.09 2hqi s ASP 35 CO 0.00 -0.60 -0.06 -0.69 -0.17 0.00 0.00 175.17 173.65 2hqi s VAL 36 N 0.34 0.54 0.03 1.11 1.01 -1.26 0.27 120.40 122.44 2hqi s VAL 36 Ca 0.24 -1.71 -0.28 0.00 0.00 0.00 0.00 61.98 60.23 2hqi s VAL 36 Cb -0.09 -1.39 0.10 0.00 0.00 0.00 0.00 36.38 35.00 2hqi s VAL 36 CO -0.08 -0.80 0.86 -0.83 0.00 0.00 0.00 175.10 174.25 2hqi s GLY 37 N -2.68 -0.46 0.01 4.51 0.00 -0.63 -4.77 107.32 103.29 2hqi s GLY 37 Ca 0.06 0.88 0.23 0.00 0.00 0.00 0.00 44.72 45.88 2hqi s GLY 37 CO -0.05 0.29 1.04 0.33 0.00 0.00 0.00 173.10 174.71 2hqi n PHE 38 N -0.28 0.06 -0.43 1.90 -0.00 -1.26 -2.87 117.46 114.58 2hqi n PHE 38 Ca -0.09 0.02 0.40 0.00 -0.00 0.00 0.00 57.45 57.77 2hqi n PHE 38 Cb 0.62 -0.19 0.71 0.00 -0.00 0.00 0.00 39.48 40.62 2hqi n PHE 38 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.76 178.25 2hqi h GLU 39 N 0.00 0.00 0.00 -4.13 4.81 -1.95 -3.35 114.58 109.95 2hqi h GLU 39 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2hqi h GLU 39 Cb 0.58 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.96 2hqi h GLU 39 CO 0.00 0.00 0.00 1.63 -0.73 0.00 0.00 179.01 179.91 2hqi n LYS 40 N -3.80 0.00 0.00 1.92 4.76 -1.26 -5.01 118.16 114.76 2hqi n LYS 40 Ca 0.32 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.76 2hqi n LYS 40 Cb 1.60 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 34.79 2hqi n LYS 40 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 2hqi n ARG 41 N -2.82 0.00 -3.77 1.97 1.85 -1.21 -3.99 116.66 108.69 2hqi n ARG 41 Ca 0.00 0.00 -0.15 0.00 -1.00 0.00 0.00 57.85 56.70 2hqi n ARG 41 Cb 0.00 0.00 -0.16 0.00 -1.05 0.00 0.00 32.46 31.25 2hqi n ARG 41 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 2hqi s GLU 42 N 0.00 -0.01 -0.53 2.89 0.41 -1.14 -3.51 118.70 116.82 2hqi s GLU 42 Ca 0.00 0.22 0.04 0.00 -0.41 0.00 0.00 54.97 54.82 2hqi s GLU 42 Cb 0.00 -0.22 0.13 0.00 -1.78 0.00 0.00 34.13 32.26 2hqi s GLU 42 CO 0.00 -0.16 0.27 0.00 -0.49 0.00 0.00 175.26 174.88 2hqi s ALA 43 N 1.04 3.30 -0.49 5.21 0.00 0.25 -1.61 121.76 129.46 2hqi s ALA 43 Ca -0.09 -3.29 -0.21 0.00 0.00 0.00 0.00 51.96 48.38 2hqi s ALA 43 Cb -0.12 -2.15 0.04 0.00 0.00 0.00 0.00 23.12 20.89 2hqi s ALA 43 CO -0.03 -2.03 0.69 0.08 0.00 0.00 0.00 175.76 174.47 2hqi s VAL 44 N -0.35 4.77 0.14 0.00 1.01 0.76 0.25 120.40 126.98 2hqi s VAL 44 Ca 0.18 -0.13 -0.03 0.00 0.00 0.00 0.00 61.98 61.99 2hqi s VAL 44 Cb -0.25 -4.31 -0.03 0.00 0.00 0.00 0.00 36.38 31.79 2hqi s VAL 44 CO -0.01 -0.79 0.13 0.68 0.00 0.00 0.00 175.10 175.11 2hqi s VAL 45 N 2.94 0.09 -0.41 2.92 -7.23 -0.82 0.30 120.40 118.20 2hqi s VAL 45 Ca 0.21 -1.75 0.02 0.00 -1.81 0.00 0.00 61.98 58.64 2hqi s VAL 45 Cb -0.16 -1.98 0.13 0.00 0.56 0.00 0.00 36.38 34.92 2hqi s VAL 45 CO 0.16 -0.41 0.20 -0.89 -0.31 0.00 0.00 175.10 173.85 2hqi s THR 46 N -4.02 1.33 0.37 5.32 2.01 0.73 -2.02 115.64 119.36 2hqi s THR 46 Ca 0.22 -2.30 0.02 0.00 0.31 0.00 0.00 61.69 59.94 2hqi s THR 46 Cb 0.06 -1.95 0.02 0.00 0.01 0.00 0.00 72.50 70.65 2hqi s THR 46 CO 0.01 -0.84 0.18 2.22 -0.69 0.00 0.00 174.62 175.50 2hqi n PHE 47 N 3.85 -0.23 -3.50 4.92 1.16 0.50 -1.15 117.46 123.00 2hqi n PHE 47 Ca 0.06 -1.67 -0.16 0.00 -1.87 0.00 0.00 57.45 53.80 2hqi n PHE 47 Cb 0.36 -0.28 -0.05 0.00 -1.61 0.00 0.00 39.48 37.90 2hqi n PHE 47 CO 0.00 0.00 0.00 0.16 -1.87 0.00 0.00 176.76 175.05 2hqi s ASP 48 N -3.14 -0.64 0.00 5.98 -4.77 0.11 0.26 116.67 114.47 2hqi s ASP 48 Ca 0.14 0.54 0.25 0.00 -3.30 0.00 0.00 52.55 50.18 2hqi s ASP 48 Cb -0.01 0.55 1.33 0.00 -1.09 0.00 0.00 42.92 43.71 2hqi s ASP 48 CO 0.09 -0.70 1.85 -0.90 0.70 0.00 0.00 175.17 176.21 2hqi n ASP 49 N 0.59 0.00 -0.25 2.11 5.75 -1.26 -3.38 116.55 120.11 2hqi n ASP 49 Ca -0.19 -0.26 0.32 0.00 -0.01 0.00 0.00 54.79 54.65 2hqi n ASP 49 Cb 0.59 -0.21 0.65 0.00 -1.03 0.00 0.00 41.12 41.12 2hqi n ASP 49 CO 0.00 0.00 0.00 0.74 -0.11 0.00 0.00 177.20 177.83 2hqi h THR 50 N 0.00 0.18 0.00 2.12 2.02 -1.94 -1.42 112.91 113.87 2hqi h THR 50 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2hqi h THR 50 Cb 0.17 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 66.83 2hqi h THR 50 CO 0.00 0.00 -0.07 1.17 0.37 0.00 0.00 175.52 176.99 2hqi n LYS 51 N -3.68 0.00 0.00 6.66 4.81 -1.24 -5.08 118.16 119.63 2hqi n LYS 51 Ca 0.24 -0.47 0.00 0.00 -0.87 0.00 0.00 58.31 57.20 2hqi n LYS 51 Cb 1.34 -0.41 0.00 0.00 0.02 0.00 0.00 35.03 35.98 2hqi n LYS 51 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2hqi n ALA 52 N 0.00 0.00 -3.57 3.14 0.00 -0.54 -4.42 120.51 115.12 2hqi n ALA 52 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 2hqi n ALA 52 Cb 0.53 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.95 2hqi n ALA 52 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2hqi s SER 53 N 1.86 -0.33 0.01 0.00 0.15 -1.26 -4.08 113.70 110.05 2hqi s SER 53 Ca 0.00 -0.43 -0.25 0.00 0.70 0.00 0.00 55.95 55.97 2hqi s SER 53 Cb 0.00 0.65 -0.18 0.00 -1.71 0.00 0.00 66.02 64.79 2hqi s SER 53 CO 0.00 -1.17 1.31 0.58 1.20 0.00 0.00 173.24 175.17 2hqi h VAL 54 N 2.06 0.96 -0.89 4.45 2.07 -1.95 -2.30 116.25 120.65 2hqi h VAL 54 Ca -0.26 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 66.57 2hqi h VAL 54 Cb 1.27 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 32.37 2hqi h VAL 54 CO 0.31 0.16 0.56 1.56 0.02 0.00 0.00 177.57 180.18 2hqi h GLN 55 N -0.57 1.20 0.17 1.57 7.50 -1.97 -1.13 115.11 121.88 2hqi h GLN 55 Ca -0.02 -0.09 0.01 0.00 0.50 0.00 0.00 58.65 59.05 2hqi h GLN 55 Cb 0.43 -0.26 -0.03 0.00 0.05 0.00 0.00 27.48 27.67 2hqi h GLN 55 CO 0.04 0.82 -0.31 0.87 -1.50 0.00 0.00 178.83 178.75 2hqi h LYS 56 N 1.22 -0.54 0.42 1.46 1.57 -1.93 2.05 116.57 120.82 2hqi h LYS 56 Ca 0.32 0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 59.12 2hqi h LYS 56 Cb -0.09 0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.34 2hqi h LYS 56 CO -0.06 -0.36 -0.24 -0.07 -0.57 0.00 0.00 179.45 178.15 2hqi h LEU 57 N -0.56 -0.60 -1.60 2.94 3.38 -1.04 -0.19 115.31 117.65 2hqi h LEU 57 Ca 0.02 0.03 0.18 0.00 0.09 0.00 0.00 57.88 58.20 2hqi h LEU 57 Cb 0.56 0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.43 2hqi h LEU 57 CO -0.15 -0.38 0.55 0.71 0.09 0.00 0.00 178.44 179.26 2hqi h THR 58 N -0.61 0.72 0.52 0.22 1.35 -1.14 -1.53 112.91 112.42 2hqi h THR 58 Ca -0.06 -0.12 -0.03 0.00 -0.55 0.00 0.00 66.41 65.65 2hqi h THR 58 Cb 0.49 0.33 0.01 0.00 -1.73 0.00 0.00 68.15 67.24 2hqi h THR 58 CO 0.07 0.07 -0.25 0.50 -0.25 0.00 0.00 175.52 175.66 2hqi h LYS 59 N 0.36 -0.67 -0.61 4.72 3.64 0.38 1.38 116.57 125.78 2hqi h LYS 59 Ca 0.41 0.05 0.13 0.00 -1.27 0.00 0.00 60.65 59.97 2hqi h LYS 59 Cb 1.07 0.15 -0.10 0.00 -0.41 0.00 0.00 32.23 32.94 2hqi h LYS 59 CO -0.13 -0.40 -0.01 0.00 -2.27 0.00 0.00 179.45 176.64 2hqi h ALA 60 N -0.38 0.58 -0.42 5.00 0.00 -0.04 0.40 119.26 124.40 2hqi h ALA 60 Ca -0.07 0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 2hqi h ALA 60 Cb 0.58 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2hqi h ALA 60 CO 0.12 -0.40 -0.17 0.00 0.00 0.00 0.00 179.25 178.81 2hqi h THR 61 N 0.11 1.28 0.00 0.00 1.03 -1.18 -1.89 112.91 112.25 2hqi h THR 61 Ca 0.31 -1.30 0.00 0.00 -0.01 0.00 0.00 66.41 65.42 2hqi h THR 61 Cb 0.51 1.22 0.00 0.00 -1.07 0.00 0.00 68.15 68.81 2hqi h THR 61 CO -0.53 0.44 0.00 0.00 -0.01 0.00 0.00 175.52 175.42 2hqi n ALA 62 N -2.48 1.44 1.48 0.00 0.00 0.47 -1.37 120.51 120.06 2hqi n ALA 62 Ca -0.01 -0.03 0.14 0.00 0.00 0.00 0.00 53.44 53.53 2hqi n ALA 62 Cb 0.41 -1.14 0.52 0.00 0.00 0.00 0.00 19.45 19.24 2hqi n ALA 62 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2hqi n ASP 63 N -1.45 1.45 -0.08 0.00 8.00 0.12 -3.72 116.55 120.86 2hqi n ASP 63 Ca 0.03 -1.51 0.01 0.00 0.71 0.00 0.00 54.79 54.03 2hqi n ASP 63 Cb 0.09 -0.02 0.03 0.00 -0.02 0.00 0.00 41.12 41.21 2hqi n ASP 63 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2hqi n ALA 64 N 0.14 2.04 0.00 2.24 0.00 -0.47 -4.96 120.51 119.50 2hqi n ALA 64 Ca 0.19 -1.12 0.00 0.00 0.00 0.00 0.00 53.44 52.51 2hqi n ALA 64 Cb 0.34 -0.08 0.00 0.00 0.00 0.00 0.00 19.45 19.71 2hqi n ALA 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hqi n GLY 65 N -0.44 2.83 3.31 0.00 0.00 -1.24 -4.97 105.19 104.67 2hqi n GLY 65 Ca 0.02 -0.16 -0.37 0.00 0.00 0.00 0.00 46.02 45.52 2hqi n GLY 65 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2hqi s TYR 66 N -1.95 3.14 0.00 1.61 2.02 -1.23 -4.96 117.35 115.98 2hqi s TYR 66 Ca 0.00 -1.14 0.00 0.00 -0.37 0.00 0.00 57.07 55.56 2hqi s TYR 66 Cb 0.00 -2.21 0.00 0.00 -0.40 0.00 0.00 41.96 39.35 2hqi s TYR 66 CO 0.00 -0.62 0.00 -2.30 -1.57 0.00 0.00 175.55 171.06 2hqi n PRO 67 N 4.82 3.77 -2.47 -1.71 -0.02 -1.24 -3.51 135.00 134.64 2hqi n PRO 67 Ca -0.15 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.28 2hqi n PRO 67 Cb 0.48 0.00 -0.01 0.00 -0.02 0.00 0.00 33.50 33.94 2hqi n PRO 67 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2hqi n SER 68 N 0.00 -0.37 -3.56 2.55 2.88 -1.26 -3.81 113.62 110.04 2hqi n SER 68 Ca 0.00 -1.65 -0.08 0.00 -1.33 0.00 0.00 58.87 55.81 2hqi n SER 68 Cb 0.00 0.74 -0.02 0.00 -0.75 0.00 0.00 64.21 64.18 2hqi n SER 68 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2hqi s SER 69 N -1.72 -0.36 0.40 -3.46 0.01 0.05 -4.83 113.70 103.79 2hqi s SER 69 Ca 0.11 -0.12 -0.13 0.00 1.31 0.00 0.00 55.95 57.11 2hqi s SER 69 Cb -0.00 0.47 -0.08 0.00 0.21 0.00 0.00 66.02 66.62 2hqi s SER 69 CO 0.08 -0.79 0.81 0.54 0.41 0.00 0.00 173.24 174.28 2hqi s VAL 70 N -3.33 4.69 -0.27 3.43 0.11 -1.26 0.93 120.40 124.69 2hqi s VAL 70 Ca 0.06 0.87 -0.12 0.00 -2.93 0.00 0.00 61.98 59.86 2hqi s VAL 70 Cb -0.01 -3.69 0.10 0.00 -1.53 0.00 0.00 36.38 31.25 2hqi s VAL 70 CO -0.06 -0.44 0.62 -0.54 -3.33 0.00 0.00 175.10 171.34 2hqi s LYS 71 N -3.60 0.58 0.00 1.54 -0.14 0.71 -4.29 119.74 114.54 2hqi s LYS 71 Ca 0.54 1.27 0.00 0.00 -1.36 0.00 0.00 55.97 56.42 2hqi s LYS 71 Cb -0.10 0.48 0.00 0.00 -1.68 0.00 0.00 37.83 36.53 2hqi s LYS 71 CO 0.26 -0.19 0.42 0.00 -0.76 0.00 0.00 175.35 175.09