#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 0.04 -3.51 0.00 5.66 -1.26 -4.56 114.28 110.66 2hqi n THR 2 Ca 0.00 -0.01 -0.13 0.00 -3.05 0.00 0.00 64.05 60.86 2hqi n THR 2 Cb 0.00 -0.50 -0.04 0.00 -1.55 0.00 0.00 70.33 68.24 2hqi n THR 2 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 2hqi s GLN 3 N 2.38 0.96 -0.33 1.09 -0.21 0.64 -4.74 119.66 119.45 2hqi s GLN 3 Ca 1.01 -0.03 -0.01 0.00 0.02 0.00 0.00 55.36 56.34 2hqi s GLN 3 Cb -1.38 0.45 0.07 0.00 1.00 0.00 0.00 33.01 33.15 2hqi s GLN 3 CO 0.74 -0.36 0.05 -0.08 -2.12 0.00 0.00 175.29 173.52 2hqi s THR 4 N -2.11 2.90 0.00 -0.19 -1.32 -1.26 -0.59 115.64 113.07 2hqi s THR 4 Ca -0.03 -1.71 0.00 0.00 -1.21 0.00 0.00 61.69 58.73 2hqi s THR 4 Cb -0.01 -2.82 0.00 0.00 -1.51 0.00 0.00 72.50 68.17 2hqi s THR 4 CO -0.01 -0.32 0.00 1.33 -2.21 0.00 0.00 174.62 173.41 2hqi n VAL 5 N 4.55 0.00 -3.81 5.08 0.24 -0.58 -4.97 118.33 118.84 2hqi n VAL 5 Ca -0.08 0.00 -0.28 0.00 -2.04 0.00 0.00 64.34 61.94 2hqi n VAL 5 Cb 0.42 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.76 2hqi n VAL 5 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2hqi s THR 6 N -2.90 5.27 -0.01 3.34 2.01 -0.39 -1.68 115.64 121.27 2hqi s THR 6 Ca 0.00 -0.44 0.02 0.00 0.31 0.00 0.00 61.69 61.58 2hqi s THR 6 Cb 0.00 -3.71 -0.00 0.00 0.01 0.00 0.00 72.50 68.80 2hqi s THR 6 CO 0.00 -0.08 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.02 2hqi s LEU 7 N -3.10 1.90 0.18 4.42 1.02 0.86 0.25 118.68 124.21 2hqi s LEU 7 Ca 0.37 -0.14 -0.24 0.00 0.02 0.00 0.00 54.13 54.14 2hqi s LEU 7 Cb -0.11 -0.40 -0.08 0.00 0.02 0.00 0.00 46.19 45.61 2hqi s LEU 7 CO 0.28 0.07 0.76 0.00 0.02 0.00 0.00 176.35 177.48 2hqi s ALA 8 N 0.00 3.44 -0.23 4.21 0.00 1.00 0.92 121.76 131.11 2hqi s ALA 8 Ca 0.00 0.30 -0.02 0.00 0.00 0.00 0.00 51.96 52.25 2hqi s ALA 8 Cb -0.05 -2.91 0.01 0.00 0.00 0.00 0.00 23.12 20.17 2hqi s ALA 8 CO -0.00 0.30 -0.09 0.08 0.00 0.00 0.00 175.76 176.06 2hqi s VAL 9 N -1.25 2.84 0.00 0.00 1.01 -1.25 0.17 120.40 121.92 2hqi s VAL 9 Ca 0.37 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.50 2hqi s VAL 9 Cb -0.21 -2.35 0.00 0.00 0.00 0.00 0.00 36.38 33.82 2hqi s VAL 9 CO 0.24 0.34 0.00 -2.65 0.00 0.00 0.00 175.10 173.03 2hqi n PRO 10 N 4.69 0.00 0.00 2.72 -0.02 -1.25 -3.83 135.00 137.32 2hqi n PRO 10 Ca -0.18 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.30 2hqi n PRO 10 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.97 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 0.58 1.19 4.75 -1.23 0.00 -1.26 -4.28 105.19 104.93 2hqi n GLY 11 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 0.16 1.61 2.81 -1.25 0.25 117.12 120.70 2hqi n MET 12 Ca 0.00 0.00 0.01 0.00 -1.81 0.00 0.00 57.70 55.90 2hqi n MET 12 Cb 0.00 0.00 0.26 0.00 -0.71 0.00 0.00 33.22 32.77 2hqi n MET 12 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2hqi h THR 13 N 0.00 1.29 -1.84 2.03 1.03 -1.89 -3.46 112.91 110.07 2hqi h THR 13 Ca 0.00 -1.75 -0.52 0.00 -0.01 0.00 0.00 66.41 64.13 2hqi h THR 13 Cb 0.00 1.96 0.24 0.00 -1.07 0.00 0.00 68.15 69.28 2hqi h THR 13 CO 0.00 0.49 -1.96 0.00 -0.01 0.00 0.00 175.52 174.04 2hqi n ALA 15 N -3.14 0.00 -3.14 0.00 0.00 -1.26 -4.50 120.51 108.47 2hqi n ALA 15 Ca -0.01 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.22 2hqi n ALA 15 Cb 0.63 0.07 -0.05 0.00 0.00 0.00 0.00 19.45 20.10 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 -2.31 1.63 -0.10 0.00 0.00 -1.26 -4.97 120.51 113.50 2hqi n ALA 16 Ca 0.00 -2.83 -0.18 0.00 0.00 0.00 0.00 53.44 50.42 2hqi n ALA 16 Cb 0.00 -0.93 -0.10 0.00 0.00 0.00 0.00 19.45 18.42 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 -1.00 0.00 -0.71 0.00 0.14 -1.90 -2.09 132.00 126.44 2hqi h PRO 18 Ca -0.26 0.00 0.15 0.00 0.14 0.00 0.00 66.00 66.04 2hqi h PRO 18 Cb 1.15 0.00 -0.11 0.00 0.14 0.00 0.00 31.00 32.18 2hqi h PRO 18 CO -0.16 0.00 0.14 0.82 0.14 0.00 0.00 178.00 178.94 2hqi h ILE 19 N 0.00 0.51 0.13 -3.56 2.04 -1.85 -0.65 117.51 114.13 2hqi h ILE 19 Ca 0.03 -0.08 -0.28 0.00 1.00 0.00 0.00 64.86 65.52 2hqi h ILE 19 Cb 0.24 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 36.58 2hqi h ILE 19 CO -0.00 0.04 -1.31 0.74 0.00 0.00 0.00 178.15 177.62 2hqi h THR 20 N 0.23 1.43 -0.70 -0.27 2.02 -1.60 -3.29 112.91 110.72 2hqi h THR 20 Ca 0.40 -3.00 0.15 0.00 0.77 0.00 0.00 66.41 64.73 2hqi h THR 20 Cb 0.67 2.92 -0.11 0.00 -1.74 0.00 0.00 68.15 69.88 2hqi h THR 20 CO -0.52 0.87 0.07 0.58 0.37 0.00 0.00 175.52 176.90 2hqi h VAL 21 N 0.08 0.46 0.00 3.16 2.07 -1.03 1.92 116.25 122.90 2hqi h VAL 21 Ca -0.16 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.30 2hqi h VAL 21 Cb 1.99 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 32.04 2hqi h VAL 21 CO 0.20 0.03 0.00 1.17 0.02 0.00 0.00 177.57 178.99 2hqi n LYS 22 N -5.25 0.00 -0.35 1.57 4.81 -0.67 0.91 118.16 119.18 2hqi n LYS 22 Ca 0.12 0.71 0.02 0.00 -0.87 0.00 0.00 58.31 58.29 2hqi n LYS 22 Cb 0.43 -1.45 0.17 0.00 0.02 0.00 0.00 35.03 34.20 2hqi n LYS 22 CO 0.00 0.00 0.00 1.57 1.17 0.00 0.00 177.40 180.14 2hqi h LYS 23 N 0.00 1.09 -0.80 1.64 2.10 -1.57 -0.12 116.57 118.91 2hqi h LYS 23 Ca 0.00 -0.07 0.11 0.00 -2.00 0.00 0.00 60.65 58.69 2hqi h LYS 23 Cb 0.00 -0.24 -0.06 0.00 -0.90 0.00 0.00 32.23 31.03 2hqi h LYS 23 CO 0.00 0.72 0.52 0.00 -2.00 0.00 0.00 179.45 178.69 2hqi h ALA 24 N 1.44 1.80 -0.55 0.07 0.00 0.37 0.81 119.26 123.20 2hqi h ALA 24 Ca 0.42 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.33 2hqi h ALA 24 Cb 0.18 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2hqi h ALA 24 CO -0.18 0.02 0.00 1.28 0.00 0.00 0.00 179.25 180.38 2hqi n LEU 25 N -4.51 0.10 0.13 0.00 4.77 0.26 -2.32 117.00 115.43 2hqi n LEU 25 Ca 0.14 0.82 0.07 0.00 -0.03 0.00 0.00 56.01 57.01 2hqi n LEU 25 Cb 0.36 -0.41 0.40 0.00 -2.33 0.00 0.00 43.42 41.44 2hqi n LEU 25 CO 0.32 -0.41 0.76 -1.54 -1.33 0.00 0.00 177.39 175.19 2hqi n SER 26 N -1.73 0.38 0.18 -1.43 3.41 -1.11 -0.39 113.62 112.93 2hqi n SER 26 Ca 0.00 0.63 0.06 0.00 -0.26 0.00 0.00 58.87 59.30 2hqi n SER 26 Cb 0.00 -0.65 0.17 0.00 -0.26 0.00 0.00 64.21 63.47 2hqi n SER 26 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 2hqi h LYS 27 N 0.00 0.00 0.00 4.33 3.64 0.99 -3.42 116.57 122.11 2hqi h LYS 27 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2hqi h LYS 27 Cb 0.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 2hqi h LYS 27 CO 0.00 0.33 0.00 0.28 -2.27 0.00 0.00 179.45 177.79 2hqi n VAL 28 N -3.24 0.00 -2.92 2.00 0.31 0.48 -5.00 118.33 109.96 2hqi n VAL 28 Ca 0.02 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.05 2hqi n VAL 28 Cb 0.62 -1.86 -0.03 0.00 -0.91 0.00 0.00 33.84 31.65 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 -1.29 3.74 0.00 5.55 8.01 -1.26 -3.84 118.70 129.60 2hqi s GLU 29 Ca 0.00 0.37 0.00 0.00 0.01 0.00 0.00 54.97 55.35 2hqi s GLU 29 Cb 0.00 -2.43 0.00 0.00 -4.31 0.00 0.00 34.13 27.39 2hqi s GLU 29 CO 0.00 -0.01 0.00 0.41 0.01 0.00 0.00 175.26 175.67 2hqi n GLY 30 N -1.31 2.25 3.42 -1.39 0.00 -1.26 -4.44 105.19 102.46 2hqi n GLY 30 Ca 0.02 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.00 0.02 -0.07 1.61 3.14 -1.25 0.10 118.33 119.89 2hqi n VAL 31 Ca 0.00 -0.13 -0.11 0.00 -2.96 0.00 0.00 64.34 61.14 2hqi n VAL 31 Cb 0.00 -0.94 -0.06 0.00 -1.06 0.00 0.00 33.84 31.78 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 10.12 2.34 -4.22 6.55 7.64 0.83 -4.85 113.62 132.02 2hqi n SER 32 Ca 0.55 0.01 -0.22 0.00 1.01 0.00 0.00 58.87 60.22 2hqi n SER 32 Cb 0.10 -0.27 -0.13 0.00 -1.01 0.00 0.00 64.21 62.90 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 -2.26 1.06 -0.36 1.43 2.20 -0.85 -4.84 119.74 116.12 2hqi s LYS 33 Ca -0.18 -1.00 0.01 0.00 -0.36 0.00 0.00 55.97 54.44 2hqi s LYS 33 Cb 0.05 -1.19 0.14 0.00 -1.51 0.00 0.00 37.83 35.33 2hqi s LYS 33 CO 0.28 0.28 0.23 0.54 -0.36 0.00 0.00 175.35 176.32 2hqi s VAL 34 N -1.07 0.12 -0.54 4.02 0.11 -1.26 -0.79 120.40 120.99 2hqi s VAL 34 Ca 0.04 -1.74 0.04 0.00 -2.93 0.00 0.00 61.98 57.38 2hqi s VAL 34 Cb -0.09 -1.09 0.14 0.00 -1.53 0.00 0.00 36.38 33.80 2hqi s VAL 34 CO 0.03 -0.99 0.30 -1.81 -3.33 0.00 0.00 175.10 169.30 2hqi s ASP 35 N 1.01 4.32 0.05 3.54 1.11 0.88 -4.96 116.67 122.62 2hqi s ASP 35 Ca 0.19 -3.13 -0.05 0.00 0.18 0.00 0.00 52.55 49.75 2hqi s ASP 35 Cb -0.20 -1.58 -0.02 0.00 1.07 0.00 0.00 42.92 42.19 2hqi s ASP 35 CO -0.01 -0.21 0.08 -0.69 1.18 0.00 0.00 175.17 175.52 2hqi s VAL 36 N -0.44 0.16 -0.00 -1.27 1.01 -1.24 0.28 120.40 118.90 2hqi s VAL 36 Ca 0.18 -1.31 -0.28 0.00 0.00 0.00 0.00 61.98 60.57 2hqi s VAL 36 Cb -0.22 -1.15 0.10 0.00 0.00 0.00 0.00 36.38 35.11 2hqi s VAL 36 CO -0.03 -0.72 0.86 -0.83 0.00 0.00 0.00 175.10 174.38 2hqi s GLY 37 N -2.49 -0.47 0.00 4.51 0.00 -0.41 -4.75 107.32 103.71 2hqi s GLY 37 Ca 0.00 1.05 0.23 0.00 0.00 0.00 0.00 44.72 46.01 2hqi s GLY 37 CO -0.07 0.39 1.17 0.33 0.00 0.00 0.00 173.10 174.92 2hqi n PHE 38 N -0.15 0.00 -0.30 1.90 7.35 -1.26 -2.89 117.46 122.11 2hqi n PHE 38 Ca -0.10 0.00 0.34 0.00 -0.76 0.00 0.00 57.45 56.93 2hqi n PHE 38 Cb 0.62 -0.05 0.65 0.00 0.35 0.00 0.00 39.48 41.05 2hqi n PHE 38 CO 0.00 0.00 0.00 1.49 -0.76 0.00 0.00 176.76 177.49 2hqi h GLU 39 N 1.35 0.00 0.00 -4.13 4.81 -1.95 -3.37 114.58 111.30 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 0.62 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.00 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 -3.69 0.00 0.00 1.92 4.76 -1.26 -5.09 118.16 114.81 2hqi n LYS 40 Ca 0.26 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.70 2hqi n LYS 40 Cb 1.42 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 34.61 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 -1.15 0.00 -4.05 1.97 0.00 -1.25 -4.22 116.66 107.96 2hqi n ARG 41 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 57.85 57.63 2hqi n ARG 41 Cb 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 32.46 32.29 2hqi n ARG 41 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 2hqi s GLU 42 N 0.00 0.92 -0.57 2.89 2.02 -1.14 -3.76 118.70 119.06 2hqi s GLU 42 Ca 0.00 -0.09 0.03 0.00 0.02 0.00 0.00 54.97 54.93 2hqi s GLU 42 Cb 0.00 -1.02 0.14 0.00 0.10 0.00 0.00 34.13 33.36 2hqi s GLU 42 CO 0.00 -0.16 0.33 0.00 0.02 0.00 0.00 175.26 175.46 2hqi s ALA 43 N 1.30 3.45 -0.19 5.21 0.00 0.26 -1.28 121.76 130.51 2hqi s ALA 43 Ca -0.05 -3.37 -0.16 0.00 0.00 0.00 0.00 51.96 48.38 2hqi s ALA 43 Cb -0.14 -2.26 -0.04 0.00 0.00 0.00 0.00 23.12 20.68 2hqi s ALA 43 CO -0.02 -2.05 0.41 0.08 0.00 0.00 0.00 175.76 174.17 2hqi s VAL 44 N -0.45 5.20 0.00 0.00 1.01 0.79 0.30 120.40 127.25 2hqi s VAL 44 Ca 0.18 0.74 0.00 0.00 0.00 0.00 0.00 61.98 62.90 2hqi s VAL 44 Cb -0.22 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.42 2hqi s VAL 44 CO -0.03 0.27 0.00 1.33 0.00 0.00 0.00 175.10 176.67 2hqi n VAL 45 N 4.21 0.00 -3.33 2.92 0.24 -0.68 0.30 118.33 121.99 2hqi n VAL 45 Ca -0.08 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.09 2hqi n VAL 45 Cb 0.51 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.81 2hqi n VAL 45 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2hqi s THR 46 N -2.97 -0.51 -0.43 3.34 2.01 0.03 -1.52 115.64 115.59 2hqi s THR 46 Ca 0.00 -0.58 -0.19 0.00 0.31 0.00 0.00 61.69 61.23 2hqi s THR 46 Cb 0.00 -0.77 0.02 0.00 0.01 0.00 0.00 72.50 71.77 2hqi s THR 46 CO 0.00 -0.41 0.55 0.72 -0.69 0.00 0.00 174.62 174.79 2hqi s PHE 47 N 1.99 3.11 -0.43 4.92 -0.71 0.24 0.29 117.98 127.40 2hqi s PHE 47 Ca 0.13 -0.22 -0.02 0.00 -1.04 0.00 0.00 56.93 55.78 2hqi s PHE 47 Cb -0.13 -3.14 0.20 0.00 -1.21 0.00 0.00 43.02 38.74 2hqi s PHE 47 CO -0.18 -0.79 2.28 -0.40 -1.34 0.00 0.00 175.22 174.79 2hqi n ASP 48 N 5.95 6.68 -2.02 1.98 5.75 0.28 0.23 116.55 135.40 2hqi n ASP 48 Ca -0.04 -3.24 -0.02 0.00 -0.01 0.00 0.00 54.79 51.48 2hqi n ASP 48 Cb 0.48 -1.11 -0.00 0.00 -1.03 0.00 0.00 41.12 39.45 2hqi n ASP 48 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 2hqi n ASP 49 N 0.33 -0.74 0.30 -1.12 2.03 -1.26 -4.44 116.55 111.65 2hqi n ASP 49 Ca 0.42 0.26 0.17 0.00 0.52 0.00 0.00 54.79 56.17 2hqi n ASP 49 Cb 0.56 -0.73 0.93 0.00 -0.72 0.00 0.00 41.12 41.16 2hqi n ASP 49 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 2hqi h THR 50 N -0.04 0.00 0.00 5.18 2.02 -1.82 -3.28 112.91 114.96 2hqi h THR 50 Ca -0.03 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.15 2hqi h THR 50 Cb 0.72 0.75 0.00 0.00 -1.74 0.00 0.00 68.15 67.88 2hqi h THR 50 CO 0.04 0.00 0.00 0.29 0.37 0.00 0.00 175.52 176.22 2hqi n LYS 51 N -2.80 0.00 0.00 6.66 5.02 -1.26 -4.75 118.16 121.03 2hqi n LYS 51 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 2hqi n LYS 51 Cb 0.18 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.19 2hqi n LYS 51 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2hqi n ALA 52 N 0.00 0.00 -3.25 7.82 0.00 -1.24 -4.79 120.51 119.05 2hqi n ALA 52 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 2hqi n ALA 52 Cb 0.39 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.81 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 2.00 0.18 0.10 0.00 0.15 -1.26 -3.99 113.70 110.88 2hqi s SER 53 Ca 0.00 -1.09 -0.21 0.00 0.70 0.00 0.00 55.95 55.34 2hqi s SER 53 Cb 0.00 0.66 -0.06 0.00 -1.71 0.00 0.00 66.02 64.92 2hqi s SER 53 CO 0.00 -1.29 1.37 0.58 1.20 0.00 0.00 173.24 175.10 2hqi h VAL 54 N 2.15 0.00 -0.79 4.45 2.07 -1.92 0.43 116.25 122.64 2hqi h VAL 54 Ca -0.27 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.36 2hqi h VAL 54 Cb 1.25 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.89 2hqi h VAL 54 CO 0.36 0.00 -0.42 -0.61 0.02 0.00 0.00 177.57 176.92 2hqi h GLN 55 N -0.08 -0.10 0.43 1.57 4.15 -1.97 1.05 115.11 120.16 2hqi h GLN 55 Ca 0.09 0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.50 2hqi h GLN 55 Cb 0.31 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.02 2hqi h GLN 55 CO -0.57 -0.07 -0.28 0.87 -1.93 0.00 0.00 178.83 176.86 2hqi h LYS 56 N -0.10 -0.65 0.13 1.69 1.57 -1.42 2.29 116.57 120.07 2hqi h LYS 56 Ca 0.25 0.04 0.01 0.00 -1.87 0.00 0.00 60.65 59.09 2hqi h LYS 56 Cb 0.55 0.15 -0.05 0.00 0.08 0.00 0.00 32.23 32.97 2hqi h LYS 56 CO -0.83 -0.44 -0.52 -0.07 -0.57 0.00 0.00 179.45 177.03 2hqi h LEU 57 N -0.68 -1.55 -1.28 2.94 3.38 0.18 0.40 115.31 118.70 2hqi h LEU 57 Ca -0.05 0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 2hqi h LEU 57 Cb 0.56 0.57 -0.03 0.00 0.09 0.00 0.00 40.66 41.86 2hqi h LEU 57 CO 0.04 -0.56 0.30 0.71 0.09 0.00 0.00 178.44 179.03 2hqi h THR 58 N -0.75 1.18 -0.22 0.22 1.35 0.12 -1.85 112.91 112.96 2hqi h THR 58 Ca -0.00 -0.47 0.03 0.00 -0.55 0.00 0.00 66.41 65.42 2hqi h THR 58 Cb 0.76 0.42 -0.03 0.00 -1.73 0.00 0.00 68.15 67.57 2hqi h THR 58 CO -0.28 0.20 0.05 0.11 -0.25 0.00 0.00 175.52 175.36 2hqi h LYS 59 N 0.80 0.14 -0.72 4.72 1.57 0.54 0.67 116.57 124.30 2hqi h LYS 59 Ca 0.20 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.98 2hqi h LYS 59 Cb 0.04 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.28 2hqi h LYS 59 CO -0.03 0.09 0.47 0.00 -0.57 0.00 0.00 179.45 179.41 2hqi h ALA 60 N 1.15 1.48 -0.01 3.86 0.00 0.34 -0.53 119.26 125.55 2hqi h ALA 60 Ca 0.10 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2hqi h ALA 60 Cb 0.08 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 2hqi h ALA 60 CO -0.12 0.48 -0.01 1.79 0.00 0.00 0.00 179.25 181.39 2hqi h THR 61 N 0.98 1.36 -0.06 0.00 1.35 -0.39 -2.78 112.91 113.36 2hqi h THR 61 Ca 0.26 -1.06 0.02 0.00 -0.55 0.00 0.00 66.41 65.08 2hqi h THR 61 Cb -0.11 2.05 -0.00 0.00 -1.73 0.00 0.00 68.15 68.36 2hqi h THR 61 CO -0.06 0.28 0.08 0.00 -0.25 0.00 0.00 175.52 175.58 2hqi h ALA 62 N 0.56 1.54 0.00 6.62 0.00 0.76 0.37 119.26 129.10 2hqi h ALA 62 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2hqi h ALA 62 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2hqi h ALA 62 CO 0.00 -0.11 0.00 -0.25 0.00 0.00 0.00 179.25 178.89 2hqi n ASP 63 N -3.69 0.60 -1.34 0.00 8.00 -0.25 -1.93 116.55 117.94 2hqi n ASP 63 Ca -0.01 0.66 0.09 0.00 0.71 0.00 0.00 54.79 56.23 2hqi n ASP 63 Cb 0.17 -0.78 0.31 0.00 -0.02 0.00 0.00 41.12 40.80 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 -1.75 2.97 0.00 2.24 0.00 0.12 -4.91 120.51 119.17 2hqi n ALA 64 Ca 0.02 -1.67 0.00 0.00 0.00 0.00 0.00 53.44 51.79 2hqi n ALA 64 Cb 0.20 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 18.78 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 0.73 2.85 3.23 0.00 0.00 -0.81 -4.96 105.19 106.23 2hqi n GLY 65 Ca 0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.58 3.00 0.00 1.61 2.02 -1.22 -4.94 117.35 116.23 2hqi s TYR 66 Ca 0.00 -1.33 0.00 0.00 -0.37 0.00 0.00 57.07 55.37 2hqi s TYR 66 Cb 0.00 -2.07 0.00 0.00 -0.40 0.00 0.00 41.96 39.49 2hqi s TYR 66 CO 0.00 -0.67 0.00 -2.30 -1.57 0.00 0.00 175.55 171.01 2hqi n PRO 67 N 4.72 3.75 -0.32 -1.71 -0.02 -1.25 -2.96 135.00 137.21 2hqi n PRO 67 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 2hqi n PRO 67 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.97 2hqi n PRO 67 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2hqi n SER 68 N 0.00 0.00 -3.62 2.55 7.64 -1.26 -3.86 113.62 115.07 2hqi n SER 68 Ca 0.00 -0.24 -0.07 0.00 1.01 0.00 0.00 58.87 59.57 2hqi n SER 68 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 2hqi n SER 68 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2hqi s SER 69 N 1.03 -0.31 0.23 6.43 0.01 0.44 -4.76 113.70 116.77 2hqi s SER 69 Ca 0.00 -0.21 -0.15 0.00 1.31 0.00 0.00 55.95 56.90 2hqi s SER 69 Cb 0.00 0.48 -0.08 0.00 0.21 0.00 0.00 66.02 66.63 2hqi s SER 69 CO 0.00 -0.84 0.65 0.54 0.41 0.00 0.00 173.24 174.00 2hqi s VAL 70 N -3.34 4.74 -0.20 3.43 0.11 -1.26 -0.00 120.40 123.89 2hqi s VAL 70 Ca 0.08 0.92 -0.06 0.00 -2.93 0.00 0.00 61.98 59.99 2hqi s VAL 70 Cb -0.02 -3.71 0.10 0.00 -1.53 0.00 0.00 36.38 31.22 2hqi s VAL 70 CO -0.04 0.06 0.38 -0.75 -3.33 0.00 0.00 175.10 171.42 2hqi s LYS 71 N -2.41 0.29 0.00 1.54 2.20 0.68 -4.39 119.74 117.66 2hqi s LYS 71 Ca 0.46 0.86 0.00 0.00 -0.36 0.00 0.00 55.97 56.93 2hqi s LYS 71 Cb -0.13 0.07 0.00 0.00 -1.51 0.00 0.00 37.83 36.25 2hqi s LYS 71 CO 0.19 -0.35 0.00 1.04 -0.36 0.00 0.00 175.35 175.88