#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 -0.09 -3.24 0.00 5.66 -1.22 -4.72 114.28 110.68 2hqi n THR 2 Ca 0.00 -0.04 0.00 0.00 -3.05 0.00 0.00 64.05 60.96 2hqi n THR 2 Cb 0.00 -0.41 0.00 0.00 -1.55 0.00 0.00 70.33 68.37 2hqi n THR 2 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2hqi n GLN 3 N -3.19 0.00 -3.01 1.09 6.02 0.38 -2.57 117.38 116.09 2hqi n GLN 3 Ca 0.05 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.61 2hqi n GLN 3 Cb 0.35 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.56 2hqi n GLN 3 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 2hqi s THR 4 N -2.58 4.74 0.00 5.09 -1.32 -1.26 -1.47 115.64 118.84 2hqi s THR 4 Ca 0.00 0.51 0.00 0.00 -1.21 0.00 0.00 61.69 60.99 2hqi s THR 4 Cb 0.00 -4.23 0.00 0.00 -1.51 0.00 0.00 72.50 66.76 2hqi s THR 4 CO 0.00 -0.55 0.00 1.33 -2.21 0.00 0.00 174.62 173.19 2hqi n VAL 5 N 5.91 0.00 -3.26 5.08 0.24 -0.56 -4.95 118.33 120.79 2hqi n VAL 5 Ca 0.01 0.00 -0.18 0.00 -2.04 0.00 0.00 64.34 62.13 2hqi n VAL 5 Cb 0.48 0.00 -0.00 0.00 -1.47 0.00 0.00 33.84 32.85 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 -2.96 3.09 -0.27 3.34 2.01 -0.47 -1.92 115.64 118.47 2hqi s THR 6 Ca 0.00 -1.11 -0.24 0.00 0.31 0.00 0.00 61.69 60.65 2hqi s THR 6 Cb 0.00 -3.07 0.07 0.00 0.01 0.00 0.00 72.50 69.51 2hqi s THR 6 CO 0.00 -0.03 0.72 -0.76 -0.69 0.00 0.00 174.62 173.86 2hqi s LEU 7 N -4.25 -0.76 0.38 4.42 1.02 0.83 -0.46 118.68 119.85 2hqi s LEU 7 Ca 0.51 1.45 -0.11 0.00 0.02 0.00 0.00 54.13 56.00 2hqi s LEU 7 Cb -0.08 2.46 -0.07 0.00 0.02 0.00 0.00 46.19 48.52 2hqi s LEU 7 CO 0.31 -0.25 0.75 0.00 0.02 0.00 0.00 176.35 177.18 2hqi s ALA 8 N 0.49 3.36 -0.26 4.21 0.00 -0.35 0.23 121.76 129.44 2hqi s ALA 8 Ca -0.01 -0.15 0.02 0.00 0.00 0.00 0.00 51.96 51.82 2hqi s ALA 8 Cb -0.05 -2.70 0.07 0.00 0.00 0.00 0.00 23.12 20.44 2hqi s ALA 8 CO -0.01 0.10 -0.06 0.08 0.00 0.00 0.00 175.76 175.87 2hqi s VAL 9 N -2.25 1.84 1.20 0.00 1.01 -1.25 0.13 120.40 121.08 2hqi s VAL 9 Ca 0.52 -1.51 -0.16 0.00 0.00 0.00 0.00 61.98 60.82 2hqi s VAL 9 Cb -0.10 -2.08 0.24 0.00 0.00 0.00 0.00 36.38 34.44 2hqi s VAL 9 CO 0.28 -0.14 0.63 -2.65 0.00 0.00 0.00 175.10 173.21 2hqi n PRO 10 N 4.54 -2.54 0.00 2.72 -0.02 -1.24 -3.42 135.00 135.03 2hqi n PRO 10 Ca -0.11 -0.73 0.00 0.00 -2.02 0.00 0.00 63.50 60.65 2hqi n PRO 10 Cb 0.43 -1.95 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 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 1.54 2.09 5.01 -1.23 0.00 -1.26 -4.36 105.19 106.97 2hqi n GLY 11 Ca 0.03 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.22 -4.00 117.12 116.32 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 0.25 1.51 0.00 0.00 175.97 177.73 2hqi n THR 13 N 0.00 0.00 -0.84 2.03 -2.24 -1.26 -4.54 114.28 107.43 2hqi n THR 13 Ca 0.00 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.88 2hqi n THR 13 Cb 0.00 -0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.20 2hqi n THR 13 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2hqi n ALA 15 N -1.78 3.14 0.00 0.00 0.00 -1.26 -4.67 120.51 115.94 2hqi n ALA 15 Ca -0.00 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.08 2hqi n ALA 15 Cb 0.59 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.88 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 -0.93 0.00 0.08 0.00 0.00 -1.26 -5.04 120.51 113.35 2hqi n ALA 16 Ca 0.11 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.51 2hqi n ALA 16 Cb 0.33 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.77 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 -0.39 0.00 -1.10 0.00 0.10 -1.87 -1.37 132.00 127.37 2hqi h PRO 18 Ca -0.02 0.00 0.32 0.00 0.10 0.00 0.00 66.00 66.40 2hqi h PRO 18 Cb 0.17 0.00 -0.12 0.00 0.10 0.00 0.00 31.00 31.15 2hqi h PRO 18 CO 0.04 0.00 0.68 0.97 0.10 0.00 0.00 178.00 179.79 2hqi h ILE 19 N 0.00 0.37 0.18 4.15 2.10 -1.85 0.23 117.51 122.69 2hqi h ILE 19 Ca 0.06 -0.11 -0.29 0.00 1.08 0.00 0.00 64.86 65.60 2hqi h ILE 19 Cb 0.27 0.02 0.02 0.00 -1.09 0.00 0.00 36.82 36.04 2hqi h ILE 19 CO -0.00 0.06 -1.34 0.71 -1.08 0.00 0.00 178.15 176.50 2hqi h THR 20 N 0.32 1.22 -0.76 2.19 1.35 -1.33 -3.32 112.91 112.56 2hqi h THR 20 Ca 0.69 -2.55 0.18 0.00 -0.55 0.00 0.00 66.41 64.18 2hqi h THR 20 Cb 1.78 2.96 -0.13 0.00 -1.73 0.00 0.00 68.15 71.03 2hqi h THR 20 CO -0.42 0.77 0.04 0.58 -0.25 0.00 0.00 175.52 176.24 2hqi h VAL 21 N -0.11 0.35 -0.41 6.82 2.07 -0.50 -0.47 116.25 124.01 2hqi h VAL 21 Ca -0.26 -0.04 0.04 0.00 0.82 0.00 0.00 66.70 67.26 2hqi h VAL 21 Cb 1.92 0.21 -0.06 0.00 -1.52 0.00 0.00 31.29 31.85 2hqi h VAL 21 CO 0.17 0.02 -0.33 0.50 0.02 0.00 0.00 177.57 177.96 2hqi h LYS 22 N 0.13 -0.11 -1.00 1.57 3.11 -1.38 0.36 116.57 119.24 2hqi h LYS 22 Ca 0.43 0.01 0.10 0.00 -2.81 0.00 0.00 60.65 58.38 2hqi h LYS 22 Cb 0.76 0.02 -0.08 0.00 -1.00 0.00 0.00 32.23 31.94 2hqi h LYS 22 CO -0.65 -0.07 0.64 0.87 -2.81 0.00 0.00 179.45 177.43 2hqi h LYS 23 N -0.11 1.02 -0.67 1.90 1.57 -1.41 -1.07 116.57 117.80 2hqi h LYS 23 Ca 0.07 -0.06 0.14 0.00 -1.87 0.00 0.00 60.65 58.93 2hqi h LYS 23 Cb 0.29 -0.23 -0.11 0.00 0.08 0.00 0.00 32.23 32.26 2hqi h LYS 23 CO -0.44 0.68 0.08 0.00 -0.57 0.00 0.00 179.45 179.20 2hqi h ALA 24 N 1.51 0.77 -0.13 3.86 0.00 0.12 2.11 119.26 127.50 2hqi h ALA 24 Ca 0.47 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.56 2hqi h ALA 24 Cb 0.38 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2hqi h ALA 24 CO -0.23 -0.37 0.00 1.28 0.00 0.00 0.00 179.25 179.93 2hqi n LEU 25 N -5.22 0.01 0.00 0.00 4.77 -0.34 -0.18 117.00 116.03 2hqi n LEU 25 Ca 0.11 0.93 0.01 0.00 -0.03 0.00 0.00 56.01 57.04 2hqi n LEU 25 Cb 0.40 -0.48 0.07 0.00 -2.33 0.00 0.00 43.42 41.09 2hqi n LEU 25 CO 0.12 -0.48 0.47 -1.54 -1.33 0.00 0.00 177.39 174.63 2hqi n SER 26 N -1.93 0.00 -0.00 -1.43 3.41 -1.07 -1.40 113.62 111.20 2hqi n SER 26 Ca 0.00 0.28 0.06 0.00 -0.26 0.00 0.00 58.87 58.95 2hqi n SER 26 Cb 0.00 -0.32 -0.08 0.00 -0.26 0.00 0.00 64.21 63.56 2hqi n SER 26 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 2hqi n LYS 27 N -1.32 2.57 -0.06 4.33 -0.00 0.71 -4.81 118.16 119.59 2hqi n LYS 27 Ca 0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.32 2hqi n LYS 27 Cb 0.03 -1.12 0.00 0.00 -0.00 0.00 0.00 35.03 33.93 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 -1.35 0.00 -3.29 0.58 3.14 0.74 -4.98 118.33 113.17 2hqi n VAL 28 Ca 0.02 0.00 -0.33 0.00 -2.96 0.00 0.00 64.34 61.07 2hqi n VAL 28 Cb 0.21 -1.87 -0.06 0.00 -1.06 0.00 0.00 33.84 31.06 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 -1.18 3.95 0.00 1.45 2.02 -1.26 -3.83 118.70 119.85 2hqi s GLU 29 Ca 0.00 0.50 0.00 0.00 0.02 0.00 0.00 54.97 55.49 2hqi s GLU 29 Cb 0.00 -2.69 0.00 0.00 0.10 0.00 0.00 34.13 31.54 2hqi s GLU 29 CO 0.00 0.32 0.00 0.41 0.02 0.00 0.00 175.26 176.01 2hqi n GLY 30 N 0.13 2.51 1.94 -1.39 0.00 -1.25 -4.39 105.19 102.74 2hqi n GLY 30 Ca -0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.00 0.02 0.00 1.61 0.31 -1.25 0.19 118.33 117.21 2hqi n VAL 31 Ca 0.00 -0.30 0.00 0.00 -0.01 0.00 0.00 64.34 64.03 2hqi n VAL 31 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2hqi n VAL 31 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2hqi n SER 32 N 1.48 0.00 -4.18 4.52 2.88 0.38 -4.48 113.62 114.22 2hqi n SER 32 Ca 0.05 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.43 2hqi n SER 32 Cb 0.28 0.06 -0.10 0.00 -0.75 0.00 0.00 64.21 63.69 2hqi n SER 32 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2hqi s LYS 33 N -1.14 1.40 -0.29 -1.46 1.02 -0.95 -4.90 119.74 113.43 2hqi s LYS 33 Ca 0.00 -1.77 0.03 0.00 0.02 0.00 0.00 55.97 54.26 2hqi s LYS 33 Cb 0.00 -0.05 0.18 0.00 -0.52 0.00 0.00 37.83 37.44 2hqi s LYS 33 CO 0.00 -0.37 0.50 0.54 -0.92 0.00 0.00 175.35 175.10 2hqi s VAL 34 N -3.83 -0.83 -0.48 3.17 0.11 -1.26 -2.37 120.40 114.91 2hqi s VAL 34 Ca 0.38 -0.13 0.03 0.00 -2.93 0.00 0.00 61.98 59.33 2hqi s VAL 34 Cb 0.07 -0.99 0.15 0.00 -1.53 0.00 0.00 36.38 34.08 2hqi s VAL 34 CO 0.14 -0.13 0.31 -1.81 -3.33 0.00 0.00 175.10 170.29 2hqi s ASP 35 N 2.70 3.34 0.03 3.54 1.01 0.81 -4.95 116.67 123.16 2hqi s ASP 35 Ca 0.11 -2.94 -0.22 0.00 0.71 0.00 0.00 52.55 50.21 2hqi s ASP 35 Cb -0.12 -0.98 0.05 0.00 1.01 0.00 0.00 42.92 42.88 2hqi s ASP 35 CO -0.27 -0.21 0.52 0.54 0.21 0.00 0.00 175.17 175.95 2hqi s VAL 36 N -0.02 0.03 0.09 -1.27 0.11 -1.16 0.24 120.40 118.43 2hqi s VAL 36 Ca 0.22 -0.25 -0.26 0.00 -2.93 0.00 0.00 61.98 58.76 2hqi s VAL 36 Cb -0.14 -0.95 0.08 0.00 -1.53 0.00 0.00 36.38 33.83 2hqi s VAL 36 CO -0.07 -0.14 0.93 -0.83 -3.33 0.00 0.00 175.10 171.66 2hqi s GLY 37 N -1.86 -0.33 0.00 6.54 0.00 -0.51 -4.79 107.32 106.37 2hqi s GLY 37 Ca -0.06 0.46 0.23 0.00 0.00 0.00 0.00 44.72 45.34 2hqi s GLY 37 CO -0.00 0.13 1.11 0.33 0.00 0.00 0.00 173.10 174.66 2hqi n PHE 38 N -0.39 0.00 -0.48 1.90 -0.00 -1.26 -2.93 117.46 114.30 2hqi n PHE 38 Ca -0.07 0.00 0.43 0.00 -0.00 0.00 0.00 57.45 57.80 2hqi n PHE 38 Cb 0.61 -0.10 0.73 0.00 -0.00 0.00 0.00 39.48 40.72 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 0.03 0.00 0.00 -4.13 4.57 -1.95 -3.37 114.58 109.72 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 0.50 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.09 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 -3.83 0.00 0.00 1.92 5.02 -1.26 -5.03 118.16 114.98 2hqi n LYS 40 Ca 0.34 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.63 2hqi n LYS 40 Cb 1.68 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 36.69 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 -0.56 0.00 -4.39 1.97 0.00 -1.25 -4.16 116.66 108.27 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 -0.16 0.00 -0.00 0.00 0.00 32.46 32.30 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 1.28 -0.62 2.89 2.02 -1.15 -3.76 118.70 119.36 2hqi s GLU 42 Ca 0.00 -0.27 0.01 0.00 0.02 0.00 0.00 54.97 54.74 2hqi s GLU 42 Cb 0.00 -1.12 0.15 0.00 0.10 0.00 0.00 34.13 33.26 2hqi s GLU 42 CO 0.00 -0.02 0.40 0.00 0.02 0.00 0.00 175.26 175.66 2hqi s ALA 43 N 0.77 3.56 -0.24 5.21 0.00 0.63 -1.42 121.76 130.26 2hqi s ALA 43 Ca -0.13 -3.40 -0.10 0.00 0.00 0.00 0.00 51.96 48.33 2hqi s ALA 43 Cb -0.15 -2.41 -0.05 0.00 0.00 0.00 0.00 23.12 20.51 2hqi s ALA 43 CO 0.02 -2.08 0.16 0.08 0.00 0.00 0.00 175.76 173.94 2hqi s VAL 44 N -0.46 5.30 0.32 0.00 1.01 0.66 0.29 120.40 127.53 2hqi s VAL 44 Ca 0.19 0.16 -0.12 0.00 0.00 0.00 0.00 61.98 62.21 2hqi s VAL 44 Cb -0.20 -3.48 0.05 0.00 0.00 0.00 0.00 36.38 32.76 2hqi s VAL 44 CO -0.04 0.34 0.64 1.33 0.00 0.00 0.00 175.10 177.37 2hqi n VAL 45 N 4.34 0.00 -3.55 2.92 0.24 -0.81 0.28 118.33 121.75 2hqi n VAL 45 Ca -0.15 -0.81 -0.29 0.00 -2.04 0.00 0.00 64.34 61.05 2hqi n VAL 45 Cb 0.52 0.81 -0.14 0.00 -1.47 0.00 0.00 33.84 33.56 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 -2.27 0.26 -0.32 3.34 2.01 -1.00 -1.50 115.64 116.17 2hqi s THR 46 Ca 0.13 -1.34 -0.04 0.00 0.31 0.00 0.00 61.69 60.75 2hqi s THR 46 Cb -0.04 -1.21 0.04 0.00 0.01 0.00 0.00 72.50 71.30 2hqi s THR 46 CO 0.10 -0.83 0.05 0.72 -0.69 0.00 0.00 174.62 173.96 2hqi s PHE 47 N 1.51 3.25 0.50 4.92 -0.12 -0.54 0.14 117.98 127.64 2hqi s PHE 47 Ca 0.13 -1.63 -0.03 0.00 -0.05 0.00 0.00 56.93 55.35 2hqi s PHE 47 Cb -0.19 -2.18 -0.01 0.00 -0.63 0.00 0.00 43.02 40.00 2hqi s PHE 47 CO -0.18 -0.76 0.76 0.16 -0.05 0.00 0.00 175.22 175.15 2hqi s ASP 48 N 1.33 5.89 -0.35 1.98 1.47 0.51 0.14 116.67 127.65 2hqi s ASP 48 Ca -0.03 0.60 -0.03 0.00 1.18 0.00 0.00 52.55 54.26 2hqi s ASP 48 Cb -0.19 -1.80 -0.06 0.00 -0.34 0.00 0.00 42.92 40.53 2hqi s ASP 48 CO 0.01 -0.76 1.67 -0.90 0.68 0.00 0.00 175.17 175.86 2hqi n ASP 49 N -2.27 2.63 0.14 2.11 5.68 -1.06 -3.74 116.55 120.04 2hqi n ASP 49 Ca 0.02 -2.06 0.10 0.00 -0.50 0.00 0.00 54.79 52.34 2hqi n ASP 49 Cb 0.57 -0.73 0.05 0.00 -1.14 0.00 0.00 41.12 39.87 2hqi n ASP 49 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 2hqi h THR 50 N 3.25 0.11 0.00 2.12 2.02 -1.87 -3.43 112.91 115.10 2hqi h THR 50 Ca 0.22 -1.18 0.00 0.00 0.77 0.00 0.00 66.41 66.22 2hqi h THR 50 Cb 0.27 1.77 0.00 0.00 -1.74 0.00 0.00 68.15 68.45 2hqi h THR 50 CO 0.94 0.06 0.00 0.29 0.37 0.00 0.00 175.52 177.18 2hqi n LYS 51 N -2.87 0.00 -1.23 6.66 4.76 -1.26 -4.76 118.16 119.46 2hqi n LYS 51 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2hqi n LYS 51 Cb 0.58 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.77 2hqi n LYS 51 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2hqi n ALA 52 N 0.00 0.00 -3.94 7.82 0.00 -1.26 -4.73 120.51 118.40 2hqi n ALA 52 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 2hqi n ALA 52 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 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 -0.31 -1.13 0.23 0.00 2.88 -1.26 -4.62 113.62 109.40 2hqi n SER 53 Ca 0.00 -2.71 -0.14 0.00 -1.33 0.00 0.00 58.87 54.69 2hqi n SER 53 Cb 0.00 2.15 -0.08 0.00 -0.75 0.00 0.00 64.21 65.54 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 1.91 0.47 -0.04 2.46 2.07 -1.95 0.21 116.25 121.38 2hqi h VAL 54 Ca -0.24 -0.46 -0.02 0.00 0.82 0.00 0.00 66.70 66.81 2hqi h VAL 54 Cb 1.06 0.66 -0.00 0.00 -1.52 0.00 0.00 31.29 31.48 2hqi h VAL 54 CO 0.32 0.07 -0.06 1.56 0.02 0.00 0.00 177.57 179.49 2hqi h GLN 55 N -0.89 0.06 0.44 1.57 4.20 -1.97 0.19 115.11 118.70 2hqi h GLN 55 Ca -0.06 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.62 2hqi h GLN 55 Cb 0.57 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.34 2hqi h GLN 55 CO 0.10 0.12 -0.21 -0.22 -0.67 0.00 0.00 178.83 177.95 2hqi h LYS 56 N 0.06 -0.57 0.14 1.46 3.64 -1.89 0.18 116.57 119.59 2hqi h LYS 56 Ca 0.01 0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 2hqi h LYS 56 Cb 0.14 0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.09 2hqi h LYS 56 CO 0.01 -0.30 -0.08 1.37 -2.27 0.00 0.00 179.45 178.18 2hqi h LEU 57 N -1.08 -0.19 -0.32 5.20 8.10 -0.38 -2.03 115.31 124.61 2hqi h LEU 57 Ca -0.06 0.01 0.04 0.00 0.11 0.00 0.00 57.88 57.98 2hqi h LEU 57 Cb 0.53 0.05 -0.04 0.00 -0.44 0.00 0.00 40.66 40.76 2hqi h LEU 57 CO 0.10 -0.13 0.07 0.71 -4.11 0.00 0.00 178.44 175.08 2hqi h THR 58 N -0.21 0.85 -0.28 0.15 1.35 -0.72 -2.11 112.91 111.95 2hqi h THR 58 Ca -0.02 -0.06 0.06 0.00 -0.55 0.00 0.00 66.41 65.84 2hqi h THR 58 Cb 0.17 0.65 -0.08 0.00 -1.73 0.00 0.00 68.15 67.16 2hqi h THR 58 CO 0.02 0.03 -0.36 0.50 -0.25 0.00 0.00 175.52 175.46 2hqi h LYS 59 N 0.18 -0.34 0.02 4.72 1.63 -0.30 2.16 116.57 124.65 2hqi h LYS 59 Ca 0.15 0.02 0.03 0.00 -0.85 0.00 0.00 60.65 60.00 2hqi h LYS 59 Cb 0.16 0.08 -0.05 0.00 -0.60 0.00 0.00 32.23 31.81 2hqi h LYS 59 CO -0.19 -0.22 -0.47 0.00 -3.45 0.00 0.00 179.45 175.12 2hqi h ALA 60 N 0.49 -0.79 -0.91 5.00 0.00 -0.92 -0.13 119.26 121.99 2hqi h ALA 60 Ca 0.13 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.99 2hqi h ALA 60 Cb 0.57 0.83 -0.05 0.00 0.00 0.00 0.00 17.79 19.13 2hqi h ALA 60 CO -0.47 -1.03 0.60 0.00 0.00 0.00 0.00 179.25 178.36 2hqi h THR 61 N -0.63 1.20 0.00 0.00 1.03 -0.68 0.13 112.91 113.96 2hqi h THR 61 Ca 0.03 -0.41 0.00 0.00 -0.01 0.00 0.00 66.41 66.02 2hqi h THR 61 Cb 0.69 -0.10 0.00 0.00 -1.07 0.00 0.00 68.15 67.67 2hqi h THR 61 CO -0.33 0.22 0.02 0.00 -0.01 0.00 0.00 175.52 175.42 2hqi h ALA 62 N 1.44 1.01 0.00 0.00 0.00 0.52 0.11 119.26 122.35 2hqi h ALA 62 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2hqi h ALA 62 Cb -0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2hqi h ALA 62 CO -0.09 -0.01 0.00 -3.47 0.00 0.00 0.00 179.25 175.68 2hqi n ASP 63 N -2.66 0.00 -0.46 0.00 -0.08 0.45 -2.76 116.55 111.03 2hqi n ASP 63 Ca -0.02 -0.48 0.05 0.00 -1.51 0.00 0.00 54.79 52.83 2hqi n ASP 63 Cb 0.07 -0.14 0.13 0.00 2.34 0.00 0.00 41.12 43.52 2hqi n ASP 63 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2hqi n ALA 64 N -1.14 2.29 0.00 -1.67 0.00 0.38 -4.93 120.51 115.44 2hqi n ALA 64 Ca 0.16 -1.48 0.00 0.00 0.00 0.00 0.00 53.44 52.13 2hqi n ALA 64 Cb 0.15 -0.37 0.00 0.00 0.00 0.00 0.00 19.45 19.23 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 -0.14 2.45 2.96 0.00 0.00 -1.11 -4.95 105.19 104.39 2hqi n GLY 65 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.60 3.36 0.00 1.61 2.02 -1.24 -4.87 117.35 115.63 2hqi s TYR 66 Ca 0.00 -2.77 0.00 0.00 -0.37 0.00 0.00 57.07 53.93 2hqi s TYR 66 Cb 0.00 -2.69 0.00 0.00 -0.40 0.00 0.00 41.96 38.87 2hqi s TYR 66 CO 0.00 -0.93 0.00 -0.35 -1.57 0.00 0.00 175.55 172.70 2hqi n PRO 67 N 4.33 3.73 -0.44 -1.71 -0.04 -1.26 -3.70 135.00 135.91 2hqi n PRO 67 Ca 0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 2hqi n PRO 67 Cb 0.42 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.88 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 -3.70 3.54 2.88 -1.26 -3.70 113.62 111.39 2hqi n SER 68 Ca 0.00 -0.28 -0.08 0.00 -1.33 0.00 0.00 58.87 57.18 2hqi n SER 68 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 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 0.74 -0.35 0.19 -3.46 0.01 0.35 -4.73 113.70 106.45 2hqi s SER 69 Ca 0.00 -0.37 -0.23 0.00 1.31 0.00 0.00 55.95 56.66 2hqi s SER 69 Cb 0.00 0.64 -0.08 0.00 0.21 0.00 0.00 66.02 66.79 2hqi s SER 69 CO 0.00 -1.14 0.76 0.54 0.41 0.00 0.00 173.24 173.81 2hqi s VAL 70 N -3.75 4.43 -0.12 3.43 0.11 -1.26 -1.21 120.40 122.04 2hqi s VAL 70 Ca 0.08 1.57 -0.09 0.00 -2.93 0.00 0.00 61.98 60.60 2hqi s VAL 70 Cb -0.04 -4.04 0.04 0.00 -1.53 0.00 0.00 36.38 30.81 2hqi s VAL 70 CO -0.00 0.41 0.30 -0.54 -3.33 0.00 0.00 175.10 171.93 2hqi s LYS 71 N -1.44 0.32 0.00 1.54 -0.14 0.39 -4.47 119.74 115.94 2hqi s LYS 71 Ca 0.38 0.48 0.00 0.00 -1.36 0.00 0.00 55.97 55.47 2hqi s LYS 71 Cb -0.21 0.09 0.00 0.00 -1.68 0.00 0.00 37.83 36.03 2hqi s LYS 71 CO 0.24 -0.08 0.00 0.94 -0.76 0.00 0.00 175.35 175.69