#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 -3.27 0.00 5.66 -1.15 -4.69 114.28 110.83 2hqi n THR 2 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2hqi n THR 2 Cb 0.00 -0.05 0.00 0.00 -1.55 0.00 0.00 70.33 68.73 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 -2.46 0.00 -3.37 1.09 6.02 0.56 -3.35 117.38 115.88 2hqi n GLN 3 Ca 0.01 0.00 -0.39 0.00 -0.01 0.00 0.00 57.00 56.61 2hqi n GLN 3 Cb 0.46 0.00 -0.09 0.00 1.02 0.00 0.00 30.24 31.63 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 -2.59 5.16 0.00 5.09 -1.32 -1.26 -1.11 115.64 119.61 2hqi s THR 4 Ca 0.00 0.61 0.00 0.00 -1.21 0.00 0.00 61.69 61.09 2hqi s THR 4 Cb 0.00 -3.71 0.00 0.00 -1.51 0.00 0.00 72.50 67.28 2hqi s THR 4 CO 0.00 0.16 0.00 1.33 -2.21 0.00 0.00 174.62 173.90 2hqi n VAL 5 N 5.07 0.00 -3.61 5.08 0.24 -0.34 -4.91 118.33 119.86 2hqi n VAL 5 Ca -0.08 0.00 -0.37 0.00 -2.04 0.00 0.00 64.34 61.85 2hqi n VAL 5 Cb 0.51 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.81 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 -2.70 5.23 -0.03 3.34 2.01 -0.54 -1.64 115.64 121.30 2hqi s THR 6 Ca 0.00 0.60 0.05 0.00 0.31 0.00 0.00 61.69 62.65 2hqi s THR 6 Cb 0.00 -3.61 -0.03 0.00 0.01 0.00 0.00 72.50 68.87 2hqi s THR 6 CO 0.00 0.54 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.56 2hqi s LEU 7 N -0.68 2.67 -0.49 4.42 1.02 1.02 0.29 118.68 126.93 2hqi s LEU 7 Ca 0.20 -0.26 -0.18 0.00 0.02 0.00 0.00 54.13 53.91 2hqi s LEU 7 Cb -0.15 -1.54 0.06 0.00 0.02 0.00 0.00 46.19 44.58 2hqi s LEU 7 CO 0.09 0.33 0.57 0.00 0.02 0.00 0.00 176.35 177.35 2hqi s ALA 8 N -0.76 3.42 -0.08 4.21 0.00 0.73 0.69 121.76 129.96 2hqi s ALA 8 Ca 0.12 -1.76 -0.26 0.00 0.00 0.00 0.00 51.96 50.06 2hqi s ALA 8 Cb -0.11 -3.28 -0.03 0.00 0.00 0.00 0.00 23.12 19.71 2hqi s ALA 8 CO 0.01 -1.92 0.81 0.54 0.00 0.00 0.00 175.76 175.21 2hqi s VAL 9 N 2.43 4.95 -1.60 0.00 0.11 -1.26 -0.23 120.40 124.81 2hqi s VAL 9 Ca 0.13 1.66 0.30 0.00 -2.93 0.00 0.00 61.98 61.13 2hqi s VAL 9 Cb -0.20 -4.14 0.52 0.00 -1.53 0.00 0.00 36.38 31.04 2hqi s VAL 9 CO 0.11 0.16 1.97 -2.65 -3.33 0.00 0.00 175.10 171.36 2hqi n PRO 10 N 4.25 0.62 -0.14 1.54 -0.02 -1.26 -4.20 135.00 135.79 2hqi n PRO 10 Ca 0.02 -0.13 -0.09 0.00 -2.02 0.00 0.00 63.50 61.29 2hqi n PRO 10 Cb 0.50 -1.50 -0.07 0.00 -0.02 0.00 0.00 33.50 32.42 2hqi n PRO 10 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2hqi h GLY 11 N 4.98 -1.35 -4.30 -1.23 0.00 -1.92 -3.47 103.07 95.78 2hqi h GLY 11 Ca 0.00 0.80 0.00 0.00 0.00 0.00 0.00 47.33 48.13 2hqi h GLY 11 CO 0.00 -0.32 -0.32 1.03 0.00 0.00 0.00 176.54 176.93 2hqi n MET 12 N -4.51 -1.68 -4.02 4.80 2.81 -1.25 -3.12 117.12 110.14 2hqi n MET 12 Ca -0.02 1.23 -0.33 0.00 -1.81 0.00 0.00 57.70 56.78 2hqi n MET 12 Cb 0.22 -1.86 -0.06 0.00 -0.71 0.00 0.00 33.22 30.81 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 1.97 0.00 0.12 2.03 5.66 -1.23 -4.72 114.28 118.12 2hqi n THR 13 Ca -0.01 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 60.97 2hqi n THR 13 Cb 0.01 -0.38 0.14 0.00 -1.55 0.00 0.00 70.33 68.55 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 0.09 0.00 -1.62 0.00 0.00 -1.26 -3.45 120.51 114.27 2hqi n ALA 15 Ca 0.17 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.61 2hqi n ALA 15 Cb 0.79 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.24 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 -1.27 -0.06 0.00 0.00 -1.26 -5.01 120.51 112.91 2hqi n ALA 16 Ca 0.00 -0.04 -0.19 0.00 0.00 0.00 0.00 53.44 53.22 2hqi n ALA 16 Cb 0.00 -0.28 -0.13 0.00 0.00 0.00 0.00 19.45 19.04 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 -0.82 0.57 -0.73 0.00 0.11 -1.89 0.40 132.00 129.63 2hqi h PRO 18 Ca -0.19 -0.06 0.21 0.00 0.11 0.00 0.00 66.00 66.07 2hqi h PRO 18 Cb 1.30 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 2hqi h PRO 18 CO -0.05 0.45 0.57 0.97 -0.21 0.00 0.00 178.00 179.72 2hqi h ILE 19 N 0.57 0.54 0.08 4.15 2.10 -1.82 0.30 117.51 123.43 2hqi h ILE 19 Ca 0.15 0.00 -0.34 0.00 1.08 0.00 0.00 64.86 65.75 2hqi h ILE 19 Cb 0.06 0.59 -0.03 0.00 -1.09 0.00 0.00 36.82 36.36 2hqi h ILE 19 CO -0.02 0.00 -1.90 0.35 -1.08 0.00 0.00 178.15 175.50 2hqi n THR 20 N -4.15 1.72 -0.30 2.19 -2.24 0.11 -3.95 114.28 107.66 2hqi n THR 20 Ca 0.15 -0.71 0.15 0.00 -2.27 0.00 0.00 64.05 61.36 2hqi n THR 20 Cb 0.84 -1.46 0.32 0.00 -2.10 0.00 0.00 70.33 67.93 2hqi n THR 20 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2hqi h VAL 21 N 0.04 0.35 -0.18 2.28 2.07 0.22 0.16 116.25 121.19 2hqi h VAL 21 Ca -0.37 -0.09 0.02 0.00 0.82 0.00 0.00 66.70 67.07 2hqi h VAL 21 Cb 2.03 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.83 2hqi h VAL 21 CO 0.08 0.05 -0.16 0.50 0.02 0.00 0.00 177.57 178.07 2hqi h LYS 22 N 0.27 -0.06 -0.17 1.57 3.64 -1.49 0.94 116.57 121.27 2hqi h LYS 22 Ca 0.58 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.98 2hqi h LYS 22 Cb 1.18 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.00 2hqi h LYS 22 CO -0.62 -0.04 0.05 0.87 -2.27 0.00 0.00 179.45 177.44 2hqi h LYS 23 N -0.06 0.13 -1.47 1.90 1.57 -1.30 -0.77 116.57 116.57 2hqi h LYS 23 Ca 0.03 -0.01 0.45 0.00 -1.87 0.00 0.00 60.65 59.25 2hqi h LYS 23 Cb 0.14 -0.03 -0.10 0.00 0.08 0.00 0.00 32.23 32.32 2hqi h LYS 23 CO -0.20 0.08 1.00 0.00 -0.57 0.00 0.00 179.45 179.76 2hqi h ALA 24 N 1.11 3.07 -0.17 3.86 0.00 0.38 2.50 119.26 130.01 2hqi h ALA 24 Ca 0.08 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2hqi h ALA 24 Cb 0.05 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2hqi h ALA 24 CO -0.09 -1.63 0.00 1.28 0.00 0.00 0.00 179.25 178.81 2hqi n LEU 25 N -4.42 0.11 0.18 0.00 4.77 0.21 -2.61 117.00 115.25 2hqi n LEU 25 Ca 0.37 0.65 0.18 0.00 -0.03 0.00 0.00 56.01 57.18 2hqi n LEU 25 Cb 1.54 -0.47 0.80 0.00 -2.33 0.00 0.00 43.42 42.96 2hqi n LEU 25 CO 0.30 -0.47 1.15 -1.28 -1.33 0.00 0.00 177.39 175.76 2hqi h SER 26 N 0.00 0.00 0.49 -1.43 0.87 -0.99 0.55 113.55 113.04 2hqi h SER 26 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2hqi h SER 26 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2hqi h SER 26 CO 0.00 0.00 0.00 0.29 -0.53 0.00 0.00 176.83 176.59 2hqi n LYS 27 N -3.81 0.37 -0.61 2.24 4.76 0.83 -4.51 118.16 117.43 2hqi n LYS 27 Ca 0.03 0.04 -0.01 0.00 -2.87 0.00 0.00 58.31 55.49 2hqi n LYS 27 Cb 0.39 -1.50 0.01 0.00 -1.84 0.00 0.00 35.03 32.09 2hqi n LYS 27 CO 0.00 0.00 0.00 1.55 -1.37 0.00 0.00 177.40 177.58 2hqi n VAL 28 N -1.29 0.00 -3.06 -0.18 3.14 0.19 -4.99 118.33 112.14 2hqi n VAL 28 Ca 0.12 -0.08 -0.33 0.00 -2.96 0.00 0.00 64.34 61.09 2hqi n VAL 28 Cb 0.21 -1.47 -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 -2.66 4.08 0.00 1.45 0.41 -1.26 -3.63 118.70 117.09 2hqi s GLU 29 Ca 0.04 0.79 0.00 0.00 -0.41 0.00 0.00 54.97 55.39 2hqi s GLU 29 Cb -0.00 -2.41 0.00 0.00 -1.78 0.00 0.00 34.13 29.94 2hqi s GLU 29 CO 0.03 0.13 0.00 0.41 -0.49 0.00 0.00 175.26 175.34 2hqi n GLY 30 N -0.34 2.71 3.40 -1.39 0.00 -1.25 -4.32 105.19 104.00 2hqi n GLY 30 Ca 0.04 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.57 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 0.01 -0.10 1.61 3.14 -1.24 -0.93 118.33 118.82 2hqi n VAL 31 Ca 0.00 -0.06 -0.12 0.00 -2.96 0.00 0.00 64.34 61.20 2hqi n VAL 31 Cb 0.00 -0.71 -0.12 0.00 -1.06 0.00 0.00 33.84 31.96 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 9.57 1.56 -3.09 6.55 7.64 0.19 -4.91 113.62 131.13 2hqi n SER 32 Ca 0.58 -0.06 -0.11 0.00 1.01 0.00 0.00 58.87 60.30 2hqi n SER 32 Cb 0.04 0.28 -0.00 0.00 -1.01 0.00 0.00 64.21 63.53 2hqi n SER 32 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2hqi s LYS 33 N -2.42 2.10 -0.07 1.43 1.02 -1.07 -4.98 119.74 115.74 2hqi s LYS 33 Ca -0.19 -1.52 -0.28 0.00 0.02 0.00 0.00 55.97 53.99 2hqi s LYS 33 Cb 0.06 0.56 0.06 0.00 -0.52 0.00 0.00 37.83 38.00 2hqi s LYS 33 CO 0.60 -0.95 0.64 0.54 -0.92 0.00 0.00 175.35 175.26 2hqi s VAL 34 N -2.66 0.01 -0.39 3.17 0.11 -1.26 -2.60 120.40 116.78 2hqi s VAL 34 Ca 0.20 -0.05 0.03 0.00 -2.93 0.00 0.00 61.98 59.23 2hqi s VAL 34 Cb -0.04 -0.95 0.18 0.00 -1.53 0.00 0.00 36.38 34.05 2hqi s VAL 34 CO 0.14 -0.03 0.77 -1.81 -3.33 0.00 0.00 175.10 170.85 2hqi s ASP 35 N -1.01 -1.15 0.11 3.54 1.01 0.48 -4.91 116.67 114.75 2hqi s ASP 35 Ca -0.10 -0.69 -0.04 0.00 0.71 0.00 0.00 52.55 52.44 2hqi s ASP 35 Cb -0.01 1.47 -0.03 0.00 1.01 0.00 0.00 42.92 45.36 2hqi s ASP 35 CO 0.08 -0.12 0.10 -0.69 0.21 0.00 0.00 175.17 174.76 2hqi s VAL 36 N 1.75 0.13 0.00 -1.27 1.01 -1.26 0.30 120.40 121.06 2hqi s VAL 36 Ca 0.17 -1.69 -0.28 0.00 0.00 0.00 0.00 61.98 60.18 2hqi s VAL 36 Cb -0.01 -1.80 0.10 0.00 0.00 0.00 0.00 36.38 34.67 2hqi s VAL 36 CO -0.09 -0.57 0.87 -0.83 0.00 0.00 0.00 175.10 174.48 2hqi s GLY 37 N -2.98 -0.47 0.00 4.51 0.00 -0.75 -4.76 107.32 102.87 2hqi s GLY 37 Ca 0.16 0.98 0.24 0.00 0.00 0.00 0.00 44.72 46.11 2hqi s GLY 37 CO -0.03 0.32 1.28 0.33 0.00 0.00 0.00 173.10 175.00 2hqi n PHE 38 N -0.25 0.00 -0.24 1.90 7.35 -1.26 -2.97 117.46 121.99 2hqi n PHE 38 Ca -0.09 0.00 0.32 0.00 -0.76 0.00 0.00 57.45 56.92 2hqi n PHE 38 Cb 0.62 -0.12 0.63 0.00 0.35 0.00 0.00 39.48 40.96 2hqi n PHE 38 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 2hqi h GLU 39 N 0.61 0.00 0.00 -4.13 5.08 -1.95 -3.37 114.58 110.81 2hqi h GLU 39 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2hqi h GLU 39 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 2hqi h GLU 39 CO 0.00 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.64 2hqi n LYS 40 N -3.63 0.00 0.00 2.33 4.76 -1.26 -4.91 118.16 115.45 2hqi n LYS 40 Ca 0.23 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.67 2hqi n LYS 40 Cb 1.34 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 34.53 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 -2.58 0.00 -4.09 1.97 -4.01 -1.21 -3.48 116.66 103.27 2hqi n ARG 41 Ca 0.00 0.00 -0.22 0.00 -1.04 0.00 0.00 57.85 56.59 2hqi n ARG 41 Cb 0.00 0.00 -0.17 0.00 -3.04 0.00 0.00 32.46 29.25 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 1.00 -0.62 2.89 0.41 -1.16 -3.99 118.70 117.24 2hqi s GLU 42 Ca 0.00 -0.12 0.01 0.00 -0.41 0.00 0.00 54.97 54.45 2hqi s GLU 42 Cb 0.00 -1.06 0.15 0.00 -1.78 0.00 0.00 34.13 31.44 2hqi s GLU 42 CO 0.00 -0.15 0.40 0.00 -0.49 0.00 0.00 175.26 175.03 2hqi s ALA 43 N 1.25 3.56 -0.55 5.21 0.00 0.22 -1.82 121.76 129.63 2hqi s ALA 43 Ca -0.05 -3.39 -0.25 0.00 0.00 0.00 0.00 51.96 48.26 2hqi s ALA 43 Cb -0.14 -2.42 0.04 0.00 0.00 0.00 0.00 23.12 20.60 2hqi s ALA 43 CO -0.02 -2.08 1.01 0.08 0.00 0.00 0.00 175.76 174.76 2hqi s VAL 44 N -0.44 4.29 0.25 0.00 1.01 0.86 0.34 120.40 126.70 2hqi s VAL 44 Ca 0.19 0.52 -0.04 0.00 0.00 0.00 0.00 61.98 62.64 2hqi s VAL 44 Cb -0.20 -4.58 -0.02 0.00 0.00 0.00 0.00 36.38 31.58 2hqi s VAL 44 CO -0.04 -1.15 0.31 0.68 0.00 0.00 0.00 175.10 174.90 2hqi s VAL 45 N 4.22 0.00 -0.25 2.92 -7.23 -0.65 0.18 120.40 119.59 2hqi s VAL 45 Ca 0.35 -1.74 -0.02 0.00 -1.81 0.00 0.00 61.98 58.76 2hqi s VAL 45 Cb -0.11 -2.42 0.08 0.00 0.56 0.00 0.00 36.38 34.49 2hqi s VAL 45 CO 0.22 0.00 0.06 0.28 -0.31 0.00 0.00 175.10 175.35 2hqi s THR 46 N -3.88 0.69 -0.30 5.32 -1.32 -1.07 -1.20 115.64 113.88 2hqi s THR 46 Ca 0.32 -0.95 -0.00 0.00 -1.21 0.00 0.00 61.69 59.85 2hqi s THR 46 Cb 0.03 -1.33 0.06 0.00 -1.51 0.00 0.00 72.50 69.75 2hqi s THR 46 CO 0.14 -0.42 -0.01 0.72 -2.21 0.00 0.00 174.62 172.84 2hqi s PHE 47 N 1.75 3.33 0.20 9.09 -0.12 -0.27 0.56 117.98 132.52 2hqi s PHE 47 Ca 0.04 -2.11 -0.20 0.00 -0.05 0.00 0.00 56.93 54.60 2hqi s PHE 47 Cb -0.17 -2.22 -0.08 0.00 -0.63 0.00 0.00 43.02 39.92 2hqi s PHE 47 CO -0.17 -0.85 0.71 0.16 -0.05 0.00 0.00 175.22 175.03 2hqi s ASP 48 N 1.24 7.10 0.00 1.98 -4.77 -0.11 -0.32 116.67 121.79 2hqi s ASP 48 Ca -0.04 1.43 -0.02 0.00 -3.30 0.00 0.00 52.55 50.61 2hqi s ASP 48 Cb -0.20 -2.42 -0.10 0.00 -1.09 0.00 0.00 42.92 39.10 2hqi s ASP 48 CO -0.03 0.08 1.75 -0.67 0.70 0.00 0.00 175.17 177.00 2hqi n ASP 49 N 0.92 2.29 0.13 2.11 2.03 -1.21 -3.79 116.55 119.02 2hqi n ASP 49 Ca -0.03 -1.89 0.01 0.00 0.52 0.00 0.00 54.79 53.39 2hqi n ASP 49 Cb 0.51 -0.60 0.05 0.00 -0.72 0.00 0.00 41.12 40.35 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 2.45 1.07 0.00 5.18 2.02 -1.89 -3.39 112.91 118.35 2hqi h THR 50 Ca 0.07 -2.36 -0.01 0.00 0.77 0.00 0.00 66.41 64.88 2hqi h THR 50 Cb 0.64 2.43 -0.01 0.00 -1.74 0.00 0.00 68.15 69.46 2hqi h THR 50 CO 0.34 0.58 -0.02 0.29 0.37 0.00 0.00 175.52 177.08 2hqi n LYS 51 N -3.32 0.00 0.00 6.66 5.02 -1.26 -4.94 118.16 120.33 2hqi n LYS 51 Ca 0.01 -0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 2hqi n LYS 51 Cb 0.74 0.04 0.00 0.00 -0.02 0.00 0.00 35.03 35.79 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 -3.00 7.82 0.00 -1.26 -4.66 120.51 119.41 2hqi n ALA 52 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2hqi n ALA 52 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 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 0.00 0.00 -0.01 0.00 2.88 -1.26 -4.56 113.62 110.66 2hqi n SER 53 Ca 0.00 -0.06 -0.00 0.00 -1.33 0.00 0.00 58.87 57.47 2hqi n SER 53 Cb 0.00 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 0.06 0.00 0.00 2.46 2.07 -1.96 -1.87 116.25 117.02 2hqi h VAL 54 Ca 0.00 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.24 2hqi h VAL 54 Cb 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 2hqi h VAL 54 CO 0.00 0.00 0.00 1.56 0.02 0.00 0.00 177.57 179.15 2hqi h GLN 55 N -0.28 0.00 0.00 1.57 1.08 -1.97 0.20 115.11 115.71 2hqi h GLN 55 Ca 0.00 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.17 2hqi h GLN 55 Cb 0.02 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.45 2hqi h GLN 55 CO 0.00 0.00 -0.18 0.87 -0.95 0.00 0.00 178.83 178.57 2hqi h LYS 56 N 0.00 0.00 -0.25 1.46 1.57 -1.93 -2.18 116.57 115.24 2hqi h LYS 56 Ca 0.00 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 2hqi h LYS 56 Cb 0.30 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 2hqi h LYS 56 CO 0.00 0.73 -0.24 1.37 -0.57 0.00 0.00 179.45 180.74 2hqi h LEU 57 N -1.00 0.64 0.02 2.94 8.10 -1.20 -2.63 115.31 122.18 2hqi h LEU 57 Ca -0.04 -0.47 0.00 0.00 0.11 0.00 0.00 57.88 57.48 2hqi h LEU 57 Cb 0.79 -0.18 -0.00 0.00 -0.44 0.00 0.00 40.66 40.82 2hqi h LEU 57 CO -0.03 0.98 -0.03 0.71 -4.11 0.00 0.00 178.44 175.96 2hqi h THR 58 N 0.31 0.92 -0.76 0.15 1.35 -0.76 0.31 112.91 114.44 2hqi h THR 58 Ca 0.04 0.00 0.15 0.00 -0.55 0.00 0.00 66.41 66.05 2hqi h THR 58 Cb 0.80 0.92 -0.10 0.00 -1.73 0.00 0.00 68.15 68.04 2hqi h THR 58 CO 0.06 0.00 0.29 0.50 -0.25 0.00 0.00 175.52 176.12 2hqi h LYS 59 N -0.07 0.40 -0.55 4.72 3.64 -1.36 0.78 116.57 124.14 2hqi h LYS 59 Ca 0.01 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.28 2hqi h LYS 59 Cb 0.07 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 2hqi h LYS 59 CO -0.02 0.27 0.00 0.00 -2.27 0.00 0.00 179.45 177.43 2hqi h ALA 60 N 1.57 0.97 0.06 5.00 0.00 -1.01 -0.06 119.26 125.79 2hqi h ALA 60 Ca 0.43 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 2hqi h ALA 60 Cb 0.67 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2hqi h ALA 60 CO -0.43 0.63 -0.03 1.79 0.00 0.00 0.00 179.25 181.20 2hqi h THR 61 N 0.86 1.17 -0.60 0.00 1.35 0.16 -2.90 112.91 112.95 2hqi h THR 61 Ca 0.16 -0.83 0.04 0.00 -0.55 0.00 0.00 66.41 65.23 2hqi h THR 61 Cb 0.50 1.71 -0.03 0.00 -1.73 0.00 0.00 68.15 68.60 2hqi h THR 61 CO 0.02 0.21 0.39 0.00 -0.25 0.00 0.00 175.52 175.89 2hqi h ALA 62 N 0.44 1.72 -0.08 6.62 0.00 0.56 0.08 119.26 128.61 2hqi h ALA 62 Ca -0.01 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.90 2hqi h ALA 62 Cb 0.40 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 2hqi h ALA 62 CO 0.01 0.20 0.06 -0.44 0.00 0.00 0.00 179.25 179.09 2hqi h ASP 63 N 0.66 0.00 -0.20 0.00 3.32 -0.81 0.28 116.42 119.67 2hqi h ASP 63 Ca 0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.29 2hqi h ASP 63 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 2hqi h ASP 63 CO -0.07 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.45 2hqi n ALA 64 N -2.50 2.48 0.00 3.45 0.00 0.00 -4.86 120.51 119.08 2hqi n ALA 64 Ca -0.01 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.06 2hqi n ALA 64 Cb 0.17 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.62 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 0.85 2.85 3.23 0.00 0.00 0.97 -4.97 105.19 108.12 2hqi n GLY 65 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.00 3.15 0.00 1.61 1.51 -1.15 -4.90 117.35 115.57 2hqi s TYR 66 Ca 0.00 -1.50 0.00 0.00 -1.01 0.00 0.00 57.07 54.56 2hqi s TYR 66 Cb 0.00 -2.13 0.00 0.00 -0.11 0.00 0.00 41.96 39.72 2hqi s TYR 66 CO 0.00 -0.71 0.00 -2.30 -1.11 0.00 0.00 175.55 171.43 2hqi n PRO 67 N 4.71 3.54 0.00 -1.71 -0.02 -1.25 -2.77 135.00 137.50 2hqi n PRO 67 Ca -0.15 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.33 2hqi n PRO 67 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.94 2hqi n PRO 67 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2hqi n SER 68 N 0.00 0.00 -4.95 2.55 3.41 -1.26 -4.55 113.62 108.82 2hqi n SER 68 Ca 0.00 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.37 2hqi n SER 68 Cb 0.00 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 63.98 2hqi n SER 68 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2hqi s SER 69 N 0.00 5.49 0.41 4.04 0.15 0.68 -4.61 113.70 119.86 2hqi s SER 69 Ca 0.00 0.31 -0.05 0.00 0.70 0.00 0.00 55.95 56.91 2hqi s SER 69 Cb 0.00 -1.32 -0.04 0.00 -1.71 0.00 0.00 66.02 62.94 2hqi s SER 69 CO 0.00 -1.02 0.70 -0.69 1.20 0.00 0.00 173.24 173.43 2hqi s VAL 70 N -2.79 4.94 0.08 4.45 1.01 -1.26 0.26 120.40 127.09 2hqi s VAL 70 Ca 0.54 0.13 -0.26 0.00 0.00 0.00 0.00 61.98 62.38 2hqi s VAL 70 Cb -0.10 -3.82 0.08 0.00 0.00 0.00 0.00 36.38 32.54 2hqi s VAL 70 CO 0.40 -0.64 0.85 -0.54 0.00 0.00 0.00 175.10 175.17 2hqi s LYS 71 N -4.29 1.05 0.00 2.72 1.02 0.82 -4.40 119.74 116.66 2hqi s LYS 71 Ca 0.46 -0.46 0.00 0.00 0.02 0.00 0.00 55.97 55.99 2hqi s LYS 71 Cb -0.10 0.43 0.00 0.00 -0.52 0.00 0.00 37.83 37.64 2hqi s LYS 71 CO 0.38 -0.47 0.00 0.00 -0.92 0.00 0.00 175.35 174.34