#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 -3.56 0.00 5.66 -1.26 -4.70 114.28 110.43 2hqi n THR 2 Ca 0.00 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.87 2hqi n THR 2 Cb 0.00 -0.45 -0.05 0.00 -1.55 0.00 0.00 70.33 68.27 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 5.69 0.78 -0.29 1.09 -0.21 0.59 -4.75 119.66 122.55 2hqi s GLN 3 Ca 1.10 0.19 -0.16 0.00 0.02 0.00 0.00 55.36 56.52 2hqi s GLN 3 Cb -1.34 0.37 -0.03 0.00 1.00 0.00 0.00 33.01 33.01 2hqi s GLN 3 CO 0.58 -0.24 0.42 -0.08 -2.12 0.00 0.00 175.29 173.85 2hqi s THR 4 N -1.13 5.13 0.00 -0.19 -1.32 -1.26 -1.76 115.64 115.10 2hqi s THR 4 Ca -0.05 0.50 0.00 0.00 -1.21 0.00 0.00 61.69 60.93 2hqi s THR 4 Cb -0.00 -3.78 0.00 0.00 -1.51 0.00 0.00 72.50 67.20 2hqi s THR 4 CO 0.05 0.04 0.00 0.52 -2.21 0.00 0.00 174.62 173.02 2hqi n VAL 5 N 5.20 0.00 -3.98 5.08 0.31 -0.43 -4.97 118.33 119.53 2hqi n VAL 5 Ca -0.07 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 63.94 2hqi n VAL 5 Cb 0.50 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 33.38 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 5.10 -0.05 2.52 2.01 -0.49 -1.62 115.64 120.24 2hqi s THR 6 Ca 0.00 -0.37 0.03 0.00 0.31 0.00 0.00 61.69 61.66 2hqi s THR 6 Cb 0.00 -3.41 0.01 0.00 0.01 0.00 0.00 72.50 69.11 2hqi s THR 6 CO 0.00 0.26 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.31 2hqi s LEU 7 N -2.08 1.72 0.10 4.42 1.02 0.83 0.27 118.68 124.96 2hqi s LEU 7 Ca 0.28 -0.28 -0.25 0.00 0.02 0.00 0.00 54.13 53.90 2hqi s LEU 7 Cb -0.12 -0.79 -0.07 0.00 0.02 0.00 0.00 46.19 45.23 2hqi s LEU 7 CO 0.20 0.06 0.78 0.00 0.02 0.00 0.00 176.35 177.41 2hqi s ALA 8 N 0.45 3.40 -0.07 4.21 0.00 0.38 0.17 121.76 130.29 2hqi s ALA 8 Ca -0.10 0.34 -0.09 0.00 0.00 0.00 0.00 51.96 52.11 2hqi s ALA 8 Cb -0.13 -3.00 -0.05 0.00 0.00 0.00 0.00 23.12 19.95 2hqi s ALA 8 CO 0.03 0.16 0.22 0.08 0.00 0.00 0.00 175.76 176.25 2hqi s VAL 9 N -0.55 5.36 -2.50 0.00 1.01 -1.23 0.25 120.40 122.75 2hqi s VAL 9 Ca 0.38 0.35 0.27 0.00 0.00 0.00 0.00 61.98 62.98 2hqi s VAL 9 Cb -0.22 -3.50 0.46 0.00 0.00 0.00 0.00 36.38 33.12 2hqi s VAL 9 CO 0.25 0.57 1.64 -2.65 0.00 0.00 0.00 175.10 174.91 2hqi n PRO 10 N 1.80 1.68 -0.27 2.72 -0.02 -1.26 -3.85 135.00 135.80 2hqi n PRO 10 Ca -0.17 -1.07 0.03 0.00 -2.02 0.00 0.00 63.50 60.27 2hqi n PRO 10 Cb 0.54 -1.48 0.13 0.00 -0.02 0.00 0.00 33.50 32.67 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 1.22 1.70 0.00 -1.23 0.00 -1.26 -4.61 105.19 101.01 2hqi n GLY 11 Ca 0.17 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 0.21 0.00 -0.81 1.61 0.00 -1.25 -0.78 117.12 116.10 2hqi n MET 12 Ca 0.09 0.38 -0.08 0.00 0.00 0.00 0.00 57.70 58.09 2hqi n MET 12 Cb 0.51 -0.86 -0.08 0.00 0.00 0.00 0.00 33.22 32.79 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 -0.78 2.57 -4.05 3.17 5.66 -1.26 -4.81 114.28 114.77 2hqi n THR 13 Ca 0.00 -1.17 -0.22 0.00 -3.05 0.00 0.00 64.05 59.61 2hqi n THR 13 Cb 0.00 -1.72 -0.05 0.00 -1.55 0.00 0.00 70.33 67.02 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 -1.19 4.10 -2.57 0.00 0.00 -1.26 -4.03 120.51 115.56 2hqi n ALA 15 Ca -0.05 -1.62 -0.05 0.00 0.00 0.00 0.00 53.44 51.71 2hqi n ALA 15 Cb 0.59 -2.87 0.02 0.00 0.00 0.00 0.00 19.45 17.19 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 4.20 -0.45 0.05 0.00 0.00 -1.26 -4.97 120.51 118.08 2hqi n ALA 16 Ca 0.36 0.04 -0.22 0.00 0.00 0.00 0.00 53.44 53.62 2hqi n ALA 16 Cb 0.14 -1.39 -0.15 0.00 0.00 0.00 0.00 19.45 18.05 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 -0.14 0.00 -0.74 0.00 0.11 -1.90 -1.51 132.00 127.82 2hqi h PRO 18 Ca -0.28 0.00 0.18 0.00 0.11 0.00 0.00 66.00 66.01 2hqi h PRO 18 Cb 1.89 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.96 2hqi h PRO 18 CO 0.14 0.07 0.51 0.97 -0.21 0.00 0.00 178.00 179.49 2hqi h ILE 19 N 0.00 0.72 0.12 4.15 2.10 -1.83 -0.62 117.51 122.15 2hqi h ILE 19 Ca -0.00 -0.08 -0.35 0.00 1.08 0.00 0.00 64.86 65.51 2hqi h ILE 19 Cb 0.29 0.46 -0.02 0.00 -1.09 0.00 0.00 36.82 36.46 2hqi h ILE 19 CO 0.01 0.04 -1.90 0.71 -1.08 0.00 0.00 178.15 175.93 2hqi h THR 20 N 0.24 0.72 -0.85 2.19 1.35 -1.47 -3.35 112.91 111.74 2hqi h THR 20 Ca 0.36 -2.43 0.21 0.00 -0.55 0.00 0.00 66.41 64.01 2hqi h THR 20 Cb 1.09 2.55 -0.13 0.00 -1.73 0.00 0.00 68.15 69.93 2hqi h THR 20 CO -0.08 0.85 0.26 0.58 -0.25 0.00 0.00 175.52 176.88 2hqi h VAL 21 N 0.07 0.40 0.00 6.82 2.07 -0.83 1.43 116.25 126.21 2hqi h VAL 21 Ca -0.39 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.04 2hqi h VAL 21 Cb 2.04 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.92 2hqi h VAL 21 CO 0.11 0.05 0.00 1.17 0.02 0.00 0.00 177.57 178.92 2hqi n LYS 22 N -5.16 0.00 -0.36 1.57 4.81 -0.69 -0.04 118.16 118.28 2hqi n LYS 22 Ca 0.20 0.81 -0.00 0.00 -0.87 0.00 0.00 58.31 58.45 2hqi n LYS 22 Cb 0.62 -1.47 0.14 0.00 0.02 0.00 0.00 35.03 34.34 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 1.19 -0.88 1.64 2.10 -1.46 -1.16 116.57 118.00 2hqi h LYS 23 Ca 0.00 -0.07 0.23 0.00 -2.00 0.00 0.00 60.65 58.81 2hqi h LYS 23 Cb 0.00 -0.27 -0.14 0.00 -0.90 0.00 0.00 32.23 30.92 2hqi h LYS 23 CO 0.00 0.79 0.26 0.00 -2.00 0.00 0.00 179.45 178.50 2hqi h ALA 24 N 1.40 1.30 -1.49 0.07 0.00 0.33 1.85 119.26 122.73 2hqi h ALA 24 Ca 0.39 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.51 2hqi h ALA 24 Cb 0.01 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2hqi h ALA 24 CO -0.13 -0.46 0.00 1.28 0.00 0.00 0.00 179.25 179.95 2hqi n LEU 25 N -5.20 0.58 -0.06 0.00 4.77 0.94 -2.74 117.00 115.29 2hqi n LEU 25 Ca 0.22 0.56 0.21 0.00 -0.03 0.00 0.00 56.01 56.96 2hqi n LEU 25 Cb 0.68 -0.25 0.38 0.00 -2.33 0.00 0.00 43.42 41.90 2hqi n LEU 25 CO 0.07 -0.25 1.19 0.77 -1.33 0.00 0.00 177.39 177.84 2hqi h SER 26 N 0.00 0.00 1.01 -1.43 4.64 -1.18 2.11 113.55 118.70 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 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2hqi h SER 26 CO 0.00 0.00 -0.04 0.29 -0.87 0.00 0.00 176.83 176.21 2hqi n LYS 27 N -3.11 0.03 -0.22 4.77 4.76 0.63 -4.73 118.16 120.29 2hqi n LYS 27 Ca 0.16 0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.62 2hqi n LYS 27 Cb 1.31 -1.53 0.00 0.00 -1.84 0.00 0.00 35.03 32.97 2hqi n LYS 27 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2hqi n VAL 28 N -1.57 0.00 -3.41 -0.18 0.31 0.71 -5.04 118.33 109.16 2hqi n VAL 28 Ca 0.07 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 64.02 2hqi n VAL 28 Cb 0.35 -1.49 -0.06 0.00 -0.91 0.00 0.00 33.84 31.73 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 -0.18 4.13 0.00 5.55 8.01 -1.26 -4.04 118.70 130.91 2hqi s GLU 29 Ca 0.00 0.45 0.00 0.00 0.01 0.00 0.00 54.97 55.43 2hqi s GLU 29 Cb 0.00 -3.31 0.00 0.00 -4.31 0.00 0.00 34.13 26.51 2hqi s GLU 29 CO 0.00 0.46 0.00 0.41 0.01 0.00 0.00 175.26 176.14 2hqi n GLY 30 N 2.44 2.74 3.19 -1.39 0.00 -1.26 -4.21 105.19 106.70 2hqi n GLY 30 Ca -0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.54 2hqi n GLY 30 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2hqi n VAL 31 N -0.51 0.99 0.08 1.61 0.31 -1.21 -1.23 118.33 118.38 2hqi n VAL 31 Ca 0.00 -0.79 -0.18 0.00 -0.01 0.00 0.00 64.34 63.35 2hqi n VAL 31 Cb 0.00 -2.09 -0.10 0.00 -0.91 0.00 0.00 33.84 30.74 2hqi n VAL 31 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2hqi h SER 32 N 8.55 0.68 -3.31 4.52 0.02 -0.73 -3.36 113.55 119.92 2hqi h SER 32 Ca 0.32 -0.61 -0.56 0.00 -0.84 0.00 0.00 61.79 60.10 2hqi h SER 32 Cb 0.56 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.84 2hqi h SER 32 CO 1.84 1.43 -0.06 -0.75 -1.14 0.00 0.00 176.83 178.16 2hqi s LYS 33 N -3.04 4.07 -0.36 3.45 2.20 -1.14 -4.87 119.74 120.05 2hqi s LYS 33 Ca -0.07 0.60 0.01 0.00 -0.36 0.00 0.00 55.97 56.15 2hqi s LYS 33 Cb 0.07 -3.03 0.15 0.00 -1.51 0.00 0.00 37.83 33.51 2hqi s LYS 33 CO 0.90 0.53 0.26 0.54 -0.36 0.00 0.00 175.35 177.22 2hqi s VAL 34 N -1.35 0.05 -0.57 4.02 0.11 -1.26 -1.93 120.40 119.47 2hqi s VAL 34 Ca 0.35 -1.66 0.04 0.00 -2.93 0.00 0.00 61.98 57.78 2hqi s VAL 34 Cb -0.17 -1.03 0.14 0.00 -1.53 0.00 0.00 36.38 33.80 2hqi s VAL 34 CO 0.19 -0.93 0.33 -0.62 -3.33 0.00 0.00 175.10 170.74 2hqi s ASP 35 N 1.03 4.46 0.06 3.54 2.15 0.82 -4.96 116.67 123.77 2hqi s ASP 35 Ca 0.20 -3.25 -0.06 0.00 0.43 0.00 0.00 52.55 49.87 2hqi s ASP 35 Cb -0.18 -1.64 -0.01 0.00 -0.30 0.00 0.00 42.92 40.78 2hqi s ASP 35 CO -0.02 -0.19 0.12 -0.69 -0.17 0.00 0.00 175.17 174.21 2hqi s VAL 36 N -0.61 0.15 -0.03 1.11 1.01 -1.23 0.29 120.40 121.09 2hqi s VAL 36 Ca 0.19 -1.24 -0.29 0.00 0.00 0.00 0.00 61.98 60.64 2hqi s VAL 36 Cb -0.20 -1.17 0.10 0.00 0.00 0.00 0.00 36.38 35.11 2hqi s VAL 36 CO -0.05 -0.68 0.89 -0.83 0.00 0.00 0.00 175.10 174.43 2hqi s GLY 37 N -2.53 -0.45 0.00 4.51 0.00 -0.23 -4.75 107.32 103.87 2hqi s GLY 37 Ca 0.01 1.17 0.24 0.00 0.00 0.00 0.00 44.72 46.13 2hqi s GLY 37 CO -0.08 0.46 1.23 0.33 0.00 0.00 0.00 173.10 175.05 2hqi n PHE 38 N -0.05 0.00 -0.30 1.90 7.35 -1.26 -2.88 117.46 122.22 2hqi n PHE 38 Ca -0.10 0.00 0.35 0.00 -0.76 0.00 0.00 57.45 56.94 2hqi n PHE 38 Cb 0.61 -0.06 0.67 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 1.43 0.00 0.00 -4.13 4.22 -1.95 -3.38 114.58 110.78 2hqi h GLU 39 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 2hqi h GLU 39 Cb 0.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.87 2hqi h GLU 39 CO 0.00 0.00 0.00 1.63 -2.18 0.00 0.00 179.01 178.46 2hqi n LYS 40 N -3.72 0.00 0.00 1.92 5.02 -1.26 -5.09 118.16 115.03 2hqi n LYS 40 Ca 0.26 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.55 2hqi n LYS 40 Cb 1.41 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 36.42 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 -0.71 0.00 -4.32 1.97 0.00 -1.25 -4.27 116.66 108.08 2hqi n ARG 41 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 57.85 57.62 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 1.26 -0.53 2.89 2.02 -1.14 -3.51 118.70 119.69 2hqi s GLU 42 Ca 0.00 -0.25 0.04 0.00 0.02 0.00 0.00 54.97 54.78 2hqi s GLU 42 Cb 0.00 -1.15 0.14 0.00 0.10 0.00 0.00 34.13 33.22 2hqi s GLU 42 CO 0.00 -0.05 0.29 0.00 0.02 0.00 0.00 175.26 175.52 2hqi s ALA 43 N 0.89 3.20 -0.14 5.21 0.00 0.44 -1.07 121.76 130.29 2hqi s ALA 43 Ca -0.11 -3.25 -0.17 0.00 0.00 0.00 0.00 51.96 48.43 2hqi s ALA 43 Cb -0.15 -2.12 -0.04 0.00 0.00 0.00 0.00 23.12 20.81 2hqi s ALA 43 CO 0.01 -2.04 0.43 0.08 0.00 0.00 0.00 175.76 174.25 2hqi s VAL 44 N -0.36 5.21 0.00 0.00 1.01 0.83 0.29 120.40 127.37 2hqi s VAL 44 Ca 0.18 0.84 0.00 0.00 0.00 0.00 0.00 61.98 63.01 2hqi s VAL 44 Cb -0.23 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.38 2hqi s VAL 44 CO -0.02 0.32 0.00 1.33 0.00 0.00 0.00 175.10 176.73 2hqi n VAL 45 N 3.80 0.00 -3.54 2.92 0.24 -0.64 0.29 118.33 121.39 2hqi n VAL 45 Ca -0.08 0.00 -0.22 0.00 -2.04 0.00 0.00 64.34 62.00 2hqi n VAL 45 Cb 0.51 0.00 -0.15 0.00 -1.47 0.00 0.00 33.84 32.74 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 -2.99 -0.21 -0.42 3.34 2.01 -0.81 -1.32 115.64 115.24 2hqi s THR 46 Ca 0.00 -0.21 -0.12 0.00 0.31 0.00 0.00 61.69 61.67 2hqi s THR 46 Cb 0.00 -0.68 0.05 0.00 0.01 0.00 0.00 72.50 71.89 2hqi s THR 46 CO 0.00 -0.30 0.29 0.72 -0.69 0.00 0.00 174.62 174.64 2hqi s PHE 47 N 2.23 3.27 -0.39 4.92 -0.71 -0.72 -0.01 117.98 126.57 2hqi s PHE 47 Ca 0.05 -1.05 0.00 0.00 -1.04 0.00 0.00 56.93 54.90 2hqi s PHE 47 Cb -0.16 -2.80 0.37 0.00 -1.21 0.00 0.00 43.02 39.23 2hqi s PHE 47 CO -0.14 -0.73 1.85 -0.40 -1.34 0.00 0.00 175.22 174.46 2hqi n ASP 48 N 5.06 5.46 -1.88 1.98 5.68 -0.36 0.22 116.55 132.70 2hqi n ASP 48 Ca -0.11 -3.24 0.00 0.00 -0.50 0.00 0.00 54.79 50.94 2hqi n ASP 48 Cb 0.45 -0.90 0.00 0.00 -1.14 0.00 0.00 41.12 39.53 2hqi n ASP 48 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 2hqi n ASP 49 N -0.35 -0.69 0.13 -1.12 -0.08 -1.26 -4.49 116.55 108.69 2hqi n ASP 49 Ca 0.42 0.34 0.12 0.00 -1.51 0.00 0.00 54.79 54.16 2hqi n ASP 49 Cb 0.91 -0.69 0.49 0.00 2.34 0.00 0.00 41.12 44.17 2hqi n ASP 49 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 2hqi n THR 50 N -1.73 0.81 -1.92 5.18 -1.04 -1.26 -4.00 114.28 110.31 2hqi n THR 50 Ca 0.00 0.20 0.00 0.00 -2.04 0.00 0.00 64.05 62.21 2hqi n THR 50 Cb 0.34 -1.13 0.00 0.00 -1.82 0.00 0.00 70.33 67.73 2hqi n THR 50 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2hqi n LYS 51 N -2.26 0.00 0.00 -2.82 5.02 -1.26 -4.89 118.16 111.95 2hqi n LYS 51 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 2hqi n LYS 51 Cb 0.24 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.25 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 -3.11 7.82 0.00 -1.26 -4.75 120.51 119.21 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 0.47 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.88 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 0.13 0.08 0.00 0.15 -1.26 -4.05 113.70 110.75 2hqi s SER 53 Ca 0.00 -1.08 -0.31 0.00 0.70 0.00 0.00 55.95 55.26 2hqi s SER 53 Cb 0.00 0.61 -0.16 0.00 -1.71 0.00 0.00 66.02 64.76 2hqi s SER 53 CO 0.00 -1.19 1.63 0.58 1.20 0.00 0.00 173.24 175.45 2hqi h VAL 54 N 2.23 0.35 -0.34 4.45 2.07 -1.91 0.54 116.25 123.64 2hqi h VAL 54 Ca -0.27 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.27 2hqi h VAL 54 Cb 1.25 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 2hqi h VAL 54 CO 0.37 0.00 0.23 -0.61 0.02 0.00 0.00 177.57 177.58 2hqi h GLN 55 N -0.77 0.34 0.49 1.57 4.15 -1.97 0.35 115.11 119.26 2hqi h GLN 55 Ca -0.05 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.32 2hqi h GLN 55 Cb 0.64 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.25 2hqi h GLN 55 CO 0.05 0.23 -0.23 -0.22 -1.93 0.00 0.00 178.83 176.72 2hqi h LYS 56 N 0.35 -0.63 0.12 1.69 3.64 -1.73 -0.55 116.57 119.47 2hqi h LYS 56 Ca 0.14 0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.57 2hqi h LYS 56 Cb 0.11 0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 2hqi h LYS 56 CO -0.03 -0.40 -0.15 1.37 -2.27 0.00 0.00 179.45 177.98 2hqi h LEU 57 N -1.16 -0.39 -0.28 5.20 8.10 0.30 -2.02 115.31 125.06 2hqi h LEU 57 Ca -0.07 0.04 0.07 0.00 0.11 0.00 0.00 57.88 58.03 2hqi h LEU 57 Cb 0.52 0.14 -0.07 0.00 -0.44 0.00 0.00 40.66 40.81 2hqi h LEU 57 CO 0.11 -0.22 -0.21 0.71 -4.11 0.00 0.00 178.44 174.72 2hqi h THR 58 N -0.31 0.43 -0.76 0.15 1.35 -0.41 0.14 112.91 113.51 2hqi h THR 58 Ca 0.01 0.00 0.17 0.00 -0.55 0.00 0.00 66.41 66.05 2hqi h THR 58 Cb 0.30 0.43 -0.13 0.00 -1.73 0.00 0.00 68.15 67.03 2hqi h THR 58 CO -0.06 0.00 0.07 0.11 -0.25 0.00 0.00 175.52 175.39 2hqi h LYS 59 N -0.20 0.14 -0.17 4.72 1.79 -0.67 0.74 116.57 122.93 2hqi h LYS 59 Ca 0.15 -0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.61 2hqi h LYS 59 Cb 0.43 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.04 2hqi h LYS 59 CO -0.40 0.09 0.07 0.00 -1.08 0.00 0.00 179.45 178.14 2hqi h ALA 60 N 1.69 0.22 -0.07 3.86 0.00 -0.25 -1.26 119.26 123.45 2hqi h ALA 60 Ca 0.42 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.27 2hqi h ALA 60 Cb 0.75 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 2hqi h ALA 60 CO -0.62 -0.20 -0.10 1.79 0.00 0.00 0.00 179.25 180.11 2hqi h THR 61 N 0.13 0.72 -0.91 0.00 1.35 0.20 -0.36 112.91 114.04 2hqi h THR 61 Ca 0.06 0.00 0.16 0.00 -0.55 0.00 0.00 66.41 66.08 2hqi h THR 61 Cb 0.15 0.72 -0.07 0.00 -1.73 0.00 0.00 68.15 67.21 2hqi h THR 61 CO -0.01 0.00 0.59 0.00 -0.25 0.00 0.00 175.52 175.85 2hqi h ALA 62 N 0.89 1.89 -0.15 6.62 0.00 0.54 0.27 119.26 129.32 2hqi h ALA 62 Ca 0.06 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 2hqi h ALA 62 Cb 0.23 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2hqi h ALA 62 CO -0.16 -0.16 -0.28 0.22 0.00 0.00 0.00 179.25 178.87 2hqi h ASP 63 N 0.64 0.29 0.16 0.00 3.58 0.11 -1.49 116.42 119.71 2hqi h ASP 63 Ca 0.47 -0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.83 2hqi h ASP 63 Cb 0.85 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.82 2hqi h ASP 63 CO -0.23 0.57 0.00 0.00 -2.88 0.00 0.00 179.24 176.70 2hqi n ALA 64 N -2.48 2.23 0.00 -0.78 0.00 0.93 -4.84 120.51 115.58 2hqi n ALA 64 Ca -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2hqi n ALA 64 Cb 0.39 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.49 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 0.43 2.54 3.26 0.00 0.00 -0.56 -5.02 105.19 105.84 2hqi n GLY 65 Ca 0.14 -0.51 -0.34 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.38 2.83 0.00 1.61 1.51 -1.12 -4.89 117.35 115.90 2hqi s TYR 66 Ca 0.00 -1.10 0.00 0.00 -1.01 0.00 0.00 57.07 54.96 2hqi s TYR 66 Cb 0.00 -1.95 0.00 0.00 -0.11 0.00 0.00 41.96 39.90 2hqi s TYR 66 CO 0.00 -0.54 0.00 -0.35 -1.11 0.00 0.00 175.55 173.55 2hqi n PRO 67 N 4.32 3.76 0.00 -1.71 -0.04 -1.25 -2.84 135.00 137.24 2hqi n PRO 67 Ca -0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 2hqi n PRO 67 Cb 0.51 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.97 2hqi n PRO 67 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2hqi n SER 68 N 0.00 0.00 -3.53 3.54 2.88 -1.26 -4.14 113.62 111.11 2hqi n SER 68 Ca 0.00 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.49 2hqi n SER 68 Cb 0.00 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 1.61 -0.12 0.18 -3.46 0.01 0.69 -4.65 113.70 107.97 2hqi s SER 69 Ca 0.00 -0.65 -0.13 0.00 1.31 0.00 0.00 55.95 56.47 2hqi s SER 69 Cb 0.00 0.61 -0.07 0.00 0.21 0.00 0.00 66.02 66.77 2hqi s SER 69 CO 0.00 -1.17 0.56 0.54 0.41 0.00 0.00 173.24 173.58 2hqi s VAL 70 N -2.99 4.86 -0.17 3.43 0.11 -1.26 -0.47 120.40 123.91 2hqi s VAL 70 Ca 0.15 0.75 -0.08 0.00 -2.93 0.00 0.00 61.98 59.87 2hqi s VAL 70 Cb -0.03 -3.70 0.07 0.00 -1.53 0.00 0.00 36.38 31.18 2hqi s VAL 70 CO 0.06 0.14 0.39 -0.75 -3.33 0.00 0.00 175.10 171.60 2hqi s LYS 71 N -2.23 0.33 0.00 1.54 2.20 0.76 -4.05 119.74 118.29 2hqi s LYS 71 Ca 0.41 0.84 0.03 0.00 -0.36 0.00 0.00 55.97 56.89 2hqi s LYS 71 Cb -0.14 0.07 0.03 0.00 -1.51 0.00 0.00 37.83 36.28 2hqi s LYS 71 CO 0.20 -0.20 0.61 1.04 -0.36 0.00 0.00 175.35 176.64