#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 0.01 -3.50 0.00 5.66 -1.26 -4.57 114.28 110.63 2hqi n THR 2 Ca 0.00 -0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 60.84 2hqi n THR 2 Cb 0.00 -0.27 -0.05 0.00 -1.55 0.00 0.00 70.33 68.46 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 0.72 1.12 -0.35 1.09 -0.21 0.67 -4.75 119.66 117.94 2hqi s GLN 3 Ca 0.93 -0.04 0.02 0.00 0.02 0.00 0.00 55.36 56.28 2hqi s GLN 3 Cb -1.25 0.52 0.11 0.00 1.00 0.00 0.00 33.01 33.39 2hqi s GLN 3 CO 0.60 -0.40 0.10 -0.08 -2.12 0.00 0.00 175.29 173.38 2hqi s THR 4 N -2.16 1.76 0.00 -0.19 -1.32 -1.26 -0.39 115.64 112.08 2hqi s THR 4 Ca -0.07 -2.12 0.00 0.00 -1.21 0.00 0.00 61.69 58.29 2hqi s THR 4 Cb -0.00 -2.30 0.00 0.00 -1.51 0.00 0.00 72.50 68.69 2hqi s THR 4 CO 0.01 -0.67 0.00 0.52 -2.21 0.00 0.00 174.62 172.28 2hqi n VAL 5 N 4.30 0.00 -3.34 5.08 0.31 -0.71 -4.96 118.33 119.01 2hqi n VAL 5 Ca 0.02 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.93 2hqi n VAL 5 Cb 0.41 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 33.25 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 -2.87 5.11 0.10 2.52 2.01 -0.47 -1.01 115.64 121.03 2hqi s THR 6 Ca 0.00 -0.22 -0.26 0.00 0.31 0.00 0.00 61.69 61.52 2hqi s THR 6 Cb 0.00 -3.97 -0.06 0.00 0.01 0.00 0.00 72.50 68.47 2hqi s THR 6 CO 0.00 -0.32 0.79 -0.76 -0.69 0.00 0.00 174.62 173.64 2hqi s LEU 7 N 2.10 4.51 -0.13 4.42 1.02 0.82 0.27 118.68 131.70 2hqi s LEU 7 Ca 0.12 1.57 -0.26 0.00 0.02 0.00 0.00 54.13 55.58 2hqi s LEU 7 Cb -0.17 -3.30 -0.02 0.00 0.02 0.00 0.00 46.19 42.72 2hqi s LEU 7 CO 0.13 0.08 0.84 0.00 0.02 0.00 0.00 176.35 177.42 2hqi s ALA 8 N -0.47 3.45 0.10 4.21 0.00 -0.18 0.33 121.76 129.19 2hqi s ALA 8 Ca 0.38 0.13 -0.11 0.00 0.00 0.00 0.00 51.96 52.37 2hqi s ALA 8 Cb -0.22 -3.22 -0.06 0.00 0.00 0.00 0.00 23.12 19.62 2hqi s ALA 8 CO 0.25 -0.52 0.44 0.08 0.00 0.00 0.00 175.76 176.01 2hqi s VAL 9 N 1.83 5.03 -2.65 0.00 1.01 -1.03 0.12 120.40 124.70 2hqi s VAL 9 Ca 0.40 0.55 0.24 0.00 0.00 0.00 0.00 61.98 63.17 2hqi s VAL 9 Cb -0.17 -3.67 0.35 0.00 0.00 0.00 0.00 36.38 32.89 2hqi s VAL 9 CO 0.15 0.27 1.39 -2.65 0.00 0.00 0.00 175.10 174.27 2hqi n PRO 10 N 0.86 2.30 -0.02 2.72 -0.02 -1.26 -4.10 135.00 135.48 2hqi n PRO 10 Ca -0.07 -1.93 0.02 0.00 -2.02 0.00 0.00 63.50 59.50 2hqi n PRO 10 Cb 0.52 -1.48 0.08 0.00 -0.02 0.00 0.00 33.50 32.60 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 1.39 -0.83 0.09 -1.23 0.00 -1.26 -4.41 105.19 98.93 2hqi n GLY 11 Ca 0.17 -0.05 -0.02 0.00 0.00 0.00 0.00 46.02 46.11 2hqi n GLY 11 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2hqi n MET 12 N -0.43 -0.09 -0.83 1.61 0.00 -1.26 -0.13 117.12 115.99 2hqi n MET 12 Ca 0.03 1.01 -0.08 0.00 0.00 0.00 0.00 57.70 58.65 2hqi n MET 12 Cb 0.04 -1.50 -0.11 0.00 0.00 0.00 0.00 33.22 31.64 2hqi n MET 12 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 2hqi n THR 13 N -3.42 2.65 -4.73 3.17 5.66 -1.26 -4.81 114.28 111.54 2hqi n THR 13 Ca 0.00 -1.17 -0.24 0.00 -3.05 0.00 0.00 64.05 59.59 2hqi n THR 13 Cb 0.05 -1.83 -0.16 0.00 -1.55 0.00 0.00 70.33 66.84 2hqi n THR 13 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2hqi h ALA 15 N 6.13 3.22 0.00 0.00 0.00 -1.87 -3.33 119.26 123.40 2hqi h ALA 15 Ca -0.34 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2hqi h ALA 15 Cb 1.17 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2hqi h ALA 15 CO 0.48 -1.69 0.00 0.00 0.00 0.00 0.00 179.25 178.04 2hqi n ALA 16 N -2.71 0.00 -0.09 0.00 0.00 -1.26 -5.04 120.51 111.41 2hqi n ALA 16 Ca 0.29 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.53 2hqi n ALA 16 Cb 1.43 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 20.76 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 -0.99 0.00 -0.72 0.00 0.14 -1.89 -0.88 132.00 127.67 2hqi h PRO 18 Ca -0.24 0.00 0.15 0.00 0.14 0.00 0.00 66.00 66.05 2hqi h PRO 18 Cb 1.22 0.00 -0.10 0.00 0.14 0.00 0.00 31.00 32.26 2hqi h PRO 18 CO -0.14 0.00 0.18 0.97 0.14 0.00 0.00 178.00 179.15 2hqi h ILE 19 N 0.00 0.55 -0.14 -3.56 6.09 -1.86 0.24 117.51 118.83 2hqi h ILE 19 Ca 0.03 -0.10 -0.13 0.00 -1.37 0.00 0.00 64.86 63.29 2hqi h ILE 19 Cb 0.26 0.24 0.00 0.00 0.47 0.00 0.00 36.82 37.80 2hqi h ILE 19 CO -0.00 0.05 -0.42 0.71 -3.07 0.00 0.00 178.15 175.42 2hqi h THR 20 N 0.28 1.35 -0.72 2.19 1.35 -1.36 -3.15 112.91 112.87 2hqi h THR 20 Ca 0.40 -1.70 0.15 0.00 -0.55 0.00 0.00 66.41 64.71 2hqi h THR 20 Cb 0.66 2.05 -0.13 0.00 -1.73 0.00 0.00 68.15 69.01 2hqi h THR 20 CO -0.48 0.52 -0.07 0.58 -0.25 0.00 0.00 175.52 175.81 2hqi h VAL 21 N 0.16 0.33 -0.19 6.82 2.07 -0.91 1.13 116.25 125.67 2hqi h VAL 21 Ca -0.01 -0.02 0.02 0.00 0.82 0.00 0.00 66.70 67.51 2hqi h VAL 21 Cb 1.04 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 2hqi h VAL 21 CO 0.09 0.01 -0.18 0.50 0.02 0.00 0.00 177.57 178.01 2hqi h LYS 22 N 0.06 -0.08 -0.17 1.57 3.64 -1.04 0.50 116.57 121.05 2hqi h LYS 22 Ca 0.37 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.76 2hqi h LYS 22 Cb 0.62 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.45 2hqi h LYS 22 CO -0.68 -0.06 0.10 0.87 -2.27 0.00 0.00 179.45 177.42 2hqi h LYS 23 N -0.09 0.23 -0.75 1.90 1.57 -1.25 -1.28 116.57 116.90 2hqi h LYS 23 Ca 0.03 -0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.85 2hqi h LYS 23 Cb 0.17 -0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.37 2hqi h LYS 23 CO -0.22 0.16 0.45 0.00 -0.57 0.00 0.00 179.45 179.27 2hqi h ALA 24 N 1.88 1.02 0.04 3.86 0.00 0.57 2.08 119.26 128.70 2hqi h ALA 24 Ca 0.06 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2hqi h ALA 24 Cb -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.59 2hqi h ALA 24 CO -0.01 0.18 -0.02 -0.07 0.00 0.00 0.00 179.25 179.33 2hqi h LEU 25 N 0.84 -0.04 -1.83 0.00 3.38 0.92 -1.20 115.31 117.38 2hqi h LEU 25 Ca 0.33 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.38 2hqi h LEU 25 Cb 0.14 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 2hqi h LEU 25 CO -0.16 -0.02 0.29 0.77 0.09 0.00 0.00 178.44 179.41 2hqi h SER 26 N -0.06 0.18 0.17 -0.43 4.64 -1.44 0.45 113.55 117.06 2hqi h SER 26 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2hqi h SER 26 Cb 0.04 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2hqi h SER 26 CO 0.01 0.11 0.00 2.29 -0.87 0.00 0.00 176.83 178.37 2hqi n LYS 27 N -4.46 0.76 -0.93 4.77 -0.00 0.70 -4.51 118.16 114.49 2hqi n LYS 27 Ca 0.06 0.01 -0.06 0.00 -0.00 0.00 0.00 58.31 58.32 2hqi n LYS 27 Cb 0.36 -1.50 0.03 0.00 -0.00 0.00 0.00 35.03 33.92 2hqi n LYS 27 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.40 178.95 2hqi n VAL 28 N -1.09 0.00 -3.07 0.58 3.14 0.16 -4.98 118.33 113.07 2hqi n VAL 28 Ca 0.19 -0.34 -0.35 0.00 -2.96 0.00 0.00 64.34 60.89 2hqi n VAL 28 Cb 0.14 -1.40 -0.06 0.00 -1.06 0.00 0.00 33.84 31.45 2hqi n VAL 28 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 2hqi s GLU 29 N -3.16 4.18 0.00 1.45 2.02 -1.26 -3.59 118.70 118.33 2hqi s GLU 29 Ca 0.16 0.85 0.00 0.00 0.02 0.00 0.00 54.97 56.00 2hqi s GLU 29 Cb -0.01 -2.65 0.00 0.00 0.10 0.00 0.00 34.13 31.58 2hqi s GLU 29 CO 0.11 0.26 0.00 0.41 0.02 0.00 0.00 175.26 176.06 2hqi n GLY 30 N 0.19 2.10 3.51 -1.39 0.00 -1.26 -4.14 105.19 104.19 2hqi n GLY 30 Ca 0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.00 -0.11 1.61 3.14 -1.24 -0.05 118.33 119.68 2hqi n VAL 31 Ca 0.00 -0.39 -0.23 0.00 -2.96 0.00 0.00 64.34 60.76 2hqi n VAL 31 Cb 0.00 -0.50 -0.11 0.00 -1.06 0.00 0.00 33.84 32.17 2hqi n VAL 31 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 2hqi n SER 32 N 8.85 1.88 -4.02 6.55 2.88 0.70 -4.91 113.62 125.55 2hqi n SER 32 Ca 0.63 0.41 -0.15 0.00 -1.33 0.00 0.00 58.87 58.44 2hqi n SER 32 Cb 0.17 -0.94 -0.13 0.00 -0.75 0.00 0.00 64.21 62.56 2hqi n SER 32 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 2hqi s LYS 33 N -2.39 0.50 -0.22 -1.46 2.47 -0.93 -4.91 119.74 112.81 2hqi s LYS 33 Ca -0.31 -0.49 -0.03 0.00 -1.56 0.00 0.00 55.97 53.59 2hqi s LYS 33 Cb 0.07 -0.38 0.07 0.00 -1.46 0.00 0.00 37.83 36.13 2hqi s LYS 33 CO 0.57 0.09 0.05 0.54 0.16 0.00 0.00 175.35 176.76 2hqi s VAL 34 N -0.77 0.57 -0.43 4.02 0.11 -1.26 0.25 120.40 122.87 2hqi s VAL 34 Ca -0.04 -0.71 0.02 0.00 -2.93 0.00 0.00 61.98 58.33 2hqi s VAL 34 Cb -0.06 -1.14 0.15 0.00 -1.53 0.00 0.00 36.38 33.80 2hqi s VAL 34 CO 0.00 -0.30 0.29 -1.81 -3.33 0.00 0.00 175.10 169.95 2hqi s ASP 35 N 1.83 2.91 0.13 3.54 1.01 0.78 -4.93 116.67 121.93 2hqi s ASP 35 Ca 0.01 -2.76 -0.07 0.00 0.71 0.00 0.00 52.55 50.44 2hqi s ASP 35 Cb -0.17 -0.74 -0.01 0.00 1.01 0.00 0.00 42.92 43.01 2hqi s ASP 35 CO -0.12 -0.23 0.20 0.54 0.21 0.00 0.00 175.17 175.77 2hqi s VAL 36 N 0.28 0.11 0.09 -1.27 0.11 -1.25 0.32 120.40 118.78 2hqi s VAL 36 Ca 0.23 -1.43 -0.26 0.00 -2.93 0.00 0.00 61.98 57.59 2hqi s VAL 36 Cb -0.13 -1.69 0.08 0.00 -1.53 0.00 0.00 36.38 33.11 2hqi s VAL 36 CO -0.07 -0.49 0.91 -0.83 -3.33 0.00 0.00 175.10 171.29 2hqi s GLY 37 N -2.94 -0.34 0.00 6.54 0.00 -0.47 -4.82 107.32 105.30 2hqi s GLY 37 Ca 0.13 0.48 0.24 0.00 0.00 0.00 0.00 44.72 45.58 2hqi s GLY 37 CO -0.04 0.14 1.32 0.33 0.00 0.00 0.00 173.10 174.85 2hqi n PHE 38 N -0.38 0.00 -0.12 1.90 7.35 -1.26 -2.91 117.46 122.04 2hqi n PHE 38 Ca -0.08 0.00 0.27 0.00 -0.76 0.00 0.00 57.45 56.88 2hqi n PHE 38 Cb 0.61 -0.06 0.59 0.00 0.35 0.00 0.00 39.48 40.97 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 1.80 0.00 0.00 -4.13 4.57 -1.95 -3.35 114.58 111.52 2hqi h GLU 39 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2hqi h GLU 39 Cb 0.63 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.22 2hqi h GLU 39 CO 0.00 0.00 0.00 1.63 -1.18 0.00 0.00 179.01 179.46 2hqi n LYS 40 N -3.49 0.00 0.00 1.92 5.02 -1.26 -5.07 118.16 115.28 2hqi n LYS 40 Ca 0.18 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.47 2hqi n LYS 40 Cb 1.19 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 36.20 2hqi n LYS 40 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 2hqi n ARG 41 N -2.69 0.00 -4.23 1.97 -4.01 -1.23 -4.05 116.66 102.42 2hqi n ARG 41 Ca 0.00 0.00 -0.17 0.00 -1.04 0.00 0.00 57.85 56.64 2hqi n ARG 41 Cb 0.00 0.00 -0.14 0.00 -3.04 0.00 0.00 32.46 29.28 2hqi n ARG 41 CO 0.00 0.00 0.00 -1.21 -3.04 0.00 0.00 177.63 173.38 2hqi s GLU 42 N 0.00 0.62 -0.32 2.89 2.02 -1.15 -2.48 118.70 120.28 2hqi s GLU 42 Ca 0.00 -0.45 -0.01 0.00 0.02 0.00 0.00 54.97 54.53 2hqi s GLU 42 Cb 0.00 -0.56 0.11 0.00 0.10 0.00 0.00 34.13 33.78 2hqi s GLU 42 CO 0.00 0.14 0.13 0.00 0.02 0.00 0.00 175.26 175.55 2hqi s ALA 43 N -0.55 1.30 -0.99 5.21 0.00 0.15 -1.36 121.76 125.53 2hqi s ALA 43 Ca -0.00 -1.62 -0.21 0.00 0.00 0.00 0.00 51.96 50.12 2hqi s ALA 43 Cb -0.05 -1.59 0.08 0.00 0.00 0.00 0.00 23.12 21.56 2hqi s ALA 43 CO 0.00 -1.74 1.33 0.08 0.00 0.00 0.00 175.76 175.43 2hqi s VAL 44 N 1.58 4.24 0.17 0.00 1.01 0.94 0.29 120.40 128.62 2hqi s VAL 44 Ca 0.11 -1.10 0.02 0.00 0.00 0.00 0.00 61.98 61.01 2hqi s VAL 44 Cb -0.18 -4.95 -0.05 0.00 0.00 0.00 0.00 36.38 31.20 2hqi s VAL 44 CO -0.24 -1.77 -0.02 -0.69 0.00 0.00 0.00 175.10 172.38 2hqi s VAL 45 N 4.06 0.79 -0.33 2.92 1.01 -0.18 0.27 120.40 128.95 2hqi s VAL 45 Ca 0.41 -1.99 0.00 0.00 0.00 0.00 0.00 61.98 60.40 2hqi s VAL 45 Cb -0.02 -2.08 0.10 0.00 0.00 0.00 0.00 36.38 34.39 2hqi s VAL 45 CO -0.10 -0.52 0.10 -0.89 0.00 0.00 0.00 175.10 173.69 2hqi s THR 46 N -3.58 1.21 -0.41 3.92 2.01 0.68 -1.74 115.64 117.74 2hqi s THR 46 Ca 0.23 -1.69 -0.17 0.00 0.31 0.00 0.00 61.69 60.37 2hqi s THR 46 Cb 0.05 -1.90 0.02 0.00 0.01 0.00 0.00 72.50 70.68 2hqi s THR 46 CO 0.03 -0.68 0.41 0.72 -0.69 0.00 0.00 174.62 174.41 2hqi s PHE 47 N 1.37 3.19 -0.75 4.92 -0.71 0.48 0.25 117.98 126.73 2hqi s PHE 47 Ca 0.11 -0.36 -0.03 0.00 -1.04 0.00 0.00 56.93 55.61 2hqi s PHE 47 Cb -0.18 -2.82 0.25 0.00 -1.21 0.00 0.00 43.02 39.06 2hqi s PHE 47 CO -0.20 -0.65 2.26 -0.40 -1.34 0.00 0.00 175.22 174.89 2hqi n ASP 48 N 5.51 7.21 -1.75 1.98 5.75 0.93 0.24 116.55 136.43 2hqi n ASP 48 Ca -0.08 -3.62 0.00 0.00 -0.01 0.00 0.00 54.79 51.08 2hqi n ASP 48 Cb 0.48 -1.13 0.00 0.00 -1.03 0.00 0.00 41.12 39.43 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 -0.01 -0.60 0.27 -1.12 2.03 -1.26 -4.53 116.55 111.32 2hqi n ASP 49 Ca 0.52 0.30 0.18 0.00 0.52 0.00 0.00 54.79 56.31 2hqi n ASP 49 Cb 0.33 -0.68 0.88 0.00 -0.72 0.00 0.00 41.12 40.93 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 0.00 0.18 0.00 5.18 2.02 -1.80 -3.30 112.91 115.18 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 0.60 0.76 -0.00 0.00 -1.74 0.00 0.00 68.15 67.77 2hqi h THR 50 CO 0.00 0.00 -0.01 0.29 0.37 0.00 0.00 175.52 176.17 2hqi n LYS 51 N -3.28 0.00 -0.26 6.66 5.02 -1.26 -4.74 118.16 120.30 2hqi n LYS 51 Ca 0.00 -0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 2hqi n LYS 51 Cb 0.35 0.02 0.00 0.00 -0.02 0.00 0.00 35.03 35.39 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 -3.56 7.82 0.00 -1.25 -4.70 120.51 118.82 2hqi n ALA 52 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.42 2hqi n ALA 52 Cb 0.27 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.74 2hqi n ALA 52 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2hqi n SER 53 N -0.32 -1.56 0.43 0.00 2.88 -1.26 -4.31 113.62 109.48 2hqi n SER 53 Ca 0.00 -2.12 -0.17 0.00 -1.33 0.00 0.00 58.87 55.25 2hqi n SER 53 Cb 0.00 2.61 -0.08 0.00 -0.75 0.00 0.00 64.21 65.99 2hqi n SER 53 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 2hqi h VAL 54 N 1.69 0.00 0.00 2.46 2.07 -1.96 2.06 116.25 122.57 2hqi h VAL 54 Ca -0.23 -0.11 -0.05 0.00 0.82 0.00 0.00 66.70 67.13 2hqi h VAL 54 Cb 0.86 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 2hqi h VAL 54 CO 0.29 0.00 -0.26 1.56 0.02 0.00 0.00 177.57 179.19 2hqi h GLN 55 N -1.21 0.00 0.01 1.57 4.20 -1.97 0.18 115.11 117.89 2hqi h GLN 55 Ca -0.11 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.60 2hqi h GLN 55 Cb 0.85 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.63 2hqi h GLN 55 CO 0.19 0.26 -0.01 0.87 -0.67 0.00 0.00 178.83 179.47 2hqi h LYS 56 N 0.00 -0.02 -0.39 1.46 1.57 -1.88 -0.44 116.57 116.88 2hqi h LYS 56 Ca -0.00 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.67 2hqi h LYS 56 Cb 0.76 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.06 2hqi h LYS 56 CO 0.03 0.74 -0.16 1.37 -0.57 0.00 0.00 179.45 180.86 2hqi h LEU 57 N -0.95 0.82 0.25 2.94 8.10 0.33 -2.74 115.31 124.06 2hqi h LEU 57 Ca -0.00 -0.39 -0.01 0.00 0.11 0.00 0.00 57.88 57.58 2hqi h LEU 57 Cb 0.77 -0.22 0.00 0.00 -0.44 0.00 0.00 40.66 40.76 2hqi h LEU 57 CO 0.00 1.03 -0.12 0.71 -4.11 0.00 0.00 178.44 175.95 2hqi h THR 58 N 0.60 0.80 -0.77 0.15 1.35 -0.72 -2.45 112.91 111.87 2hqi h THR 58 Ca 0.09 -0.36 0.17 0.00 -0.55 0.00 0.00 66.41 65.76 2hqi h THR 58 Cb 0.71 1.01 -0.14 0.00 -1.73 0.00 0.00 68.15 67.99 2hqi h THR 58 CO 0.05 0.08 -0.11 0.50 -0.25 0.00 0.00 175.52 175.79 2hqi h LYS 59 N -0.52 0.03 -0.83 4.72 1.63 -1.05 1.64 116.57 122.20 2hqi h LYS 59 Ca -0.03 -0.00 0.08 0.00 -0.85 0.00 0.00 60.65 59.84 2hqi h LYS 59 Cb 0.39 -0.01 -0.06 0.00 -0.60 0.00 0.00 32.23 31.96 2hqi h LYS 59 CO 0.06 0.02 0.54 0.00 -3.45 0.00 0.00 179.45 176.62 2hqi h ALA 60 N 1.75 1.66 -0.13 5.00 0.00 -1.28 0.19 119.26 126.45 2hqi h ALA 60 Ca 0.39 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.22 2hqi h ALA 60 Cb 0.65 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 2hqi h ALA 60 CO -0.75 0.20 -0.20 1.79 0.00 0.00 0.00 179.25 180.29 2hqi h THR 61 N 0.85 1.37 0.00 0.00 1.35 0.25 -2.71 112.91 114.02 2hqi h THR 61 Ca 0.37 -1.43 0.00 0.00 -0.55 0.00 0.00 66.41 64.80 2hqi h THR 61 Cb 0.33 2.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.75 2hqi h THR 61 CO -0.14 0.42 0.00 0.00 -0.25 0.00 0.00 175.52 175.55 2hqi h ALA 62 N 0.56 1.00 -0.49 6.62 0.00 0.14 -1.62 119.26 125.47 2hqi h ALA 62 Ca 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2hqi h ALA 62 Cb 0.76 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 2hqi h ALA 62 CO 0.05 0.00 0.19 0.22 0.00 0.00 0.00 179.25 179.71 2hqi h ASP 63 N 0.00 0.64 -0.17 0.00 1.82 -0.66 -0.63 116.42 117.42 2hqi h ASP 63 Ca 0.00 -0.08 0.00 0.00 -0.39 0.00 0.00 57.03 56.56 2hqi h ASP 63 Cb 0.03 -0.16 0.00 0.00 0.68 0.00 0.00 39.33 39.88 2hqi h ASP 63 CO 0.00 0.58 0.00 0.00 -1.61 0.00 0.00 179.24 178.21 2hqi n ALA 64 N -2.46 2.55 0.00 -0.78 0.00 -0.61 -4.83 120.51 114.37 2hqi n ALA 64 Ca 0.04 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.13 2hqi n ALA 64 Cb 0.16 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.61 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 0.65 3.17 3.32 0.00 0.00 -0.24 -4.98 105.19 107.11 2hqi n GLY 65 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.93 3.14 0.00 1.61 1.51 -1.22 -4.92 117.35 115.53 2hqi s TYR 66 Ca 0.00 -1.05 0.00 0.00 -1.01 0.00 0.00 57.07 55.01 2hqi s TYR 66 Cb 0.00 -2.23 0.00 0.00 -0.11 0.00 0.00 41.96 39.62 2hqi s TYR 66 CO 0.00 -0.59 0.00 -0.35 -1.11 0.00 0.00 175.55 173.50 2hqi n PRO 67 N 4.84 3.70 -0.81 -1.71 -0.04 -1.26 -2.59 135.00 137.14 2hqi n PRO 67 Ca -0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 2hqi n PRO 67 Cb 0.48 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.94 2hqi n PRO 67 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2hqi n SER 68 N 0.00 0.00 -0.95 3.54 3.41 -1.26 -4.17 113.62 114.19 2hqi n SER 68 Ca 0.00 -0.74 0.00 0.00 -0.26 0.00 0.00 58.87 57.87 2hqi n SER 68 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2hqi n SER 68 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2hqi n SER 69 N -0.68 0.00 -4.81 4.04 7.64 0.33 -4.82 113.62 115.32 2hqi n SER 69 Ca 0.00 -0.95 -0.34 0.00 1.01 0.00 0.00 58.87 58.59 2hqi n SER 69 Cb 0.00 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.13 2hqi n SER 69 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2hqi s VAL 70 N -2.87 4.99 0.27 0.44 0.11 -1.26 -1.02 120.40 121.06 2hqi s VAL 70 Ca 0.00 -0.20 -0.19 0.00 -2.93 0.00 0.00 61.98 58.66 2hqi s VAL 70 Cb 0.00 -3.24 0.07 0.00 -1.53 0.00 0.00 36.38 31.68 2hqi s VAL 70 CO 0.00 0.44 0.95 -0.75 -3.33 0.00 0.00 175.10 172.41 2hqi s LYS 71 N -1.50 1.70 0.00 1.54 2.47 0.77 -4.05 119.74 120.67 2hqi s LYS 71 Ca 0.21 -1.10 0.00 0.00 -1.56 0.00 0.00 55.97 53.51 2hqi s LYS 71 Cb -0.12 0.47 0.00 0.00 -1.46 0.00 0.00 37.83 36.72 2hqi s LYS 71 CO 0.11 -0.80 0.01 0.94 0.16 0.00 0.00 175.35 175.77