#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 0.19 -3.49 0.00 5.66 -1.26 -4.48 114.28 110.90 2hqi n THR 2 Ca 0.00 -0.03 -0.15 0.00 -3.05 0.00 0.00 64.05 60.82 2hqi n THR 2 Cb 0.00 -0.98 -0.04 0.00 -1.55 0.00 0.00 70.33 67.76 2hqi n THR 2 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2hqi s GLN 3 N 2.90 1.07 -0.27 1.09 -2.07 0.44 -4.75 119.66 118.07 2hqi s GLN 3 Ca 0.98 -0.01 0.01 0.00 -1.82 0.00 0.00 55.36 54.52 2hqi s GLN 3 Cb -1.15 0.50 0.05 0.00 -1.09 0.00 0.00 33.01 31.33 2hqi s GLN 3 CO 0.66 -0.39 -0.07 -0.08 -1.32 0.00 0.00 175.29 174.09 2hqi s THR 4 N -2.08 2.48 0.00 3.63 -1.32 -1.26 -0.67 115.64 116.43 2hqi s THR 4 Ca -0.06 -1.52 0.00 0.00 -1.21 0.00 0.00 61.69 58.90 2hqi s THR 4 Cb -0.00 -2.44 0.00 0.00 -1.51 0.00 0.00 72.50 68.55 2hqi s THR 4 CO 0.01 -0.05 0.00 0.52 -2.21 0.00 0.00 174.62 172.90 2hqi n VAL 5 N 4.51 0.00 -3.65 5.08 0.31 -0.54 -4.95 118.33 119.10 2hqi n VAL 5 Ca -0.14 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 63.89 2hqi n VAL 5 Cb 0.43 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.32 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 -2.83 5.16 -0.00 2.52 2.01 -0.50 -1.33 115.64 120.66 2hqi s THR 6 Ca 0.00 -0.08 0.03 0.00 0.31 0.00 0.00 61.69 61.95 2hqi s THR 6 Cb 0.00 -3.67 -0.01 0.00 0.01 0.00 0.00 72.50 68.84 2hqi s THR 6 CO 0.00 -0.06 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.02 2hqi s LEU 7 N -2.94 2.03 0.13 4.42 1.02 0.86 0.27 118.68 124.48 2hqi s LEU 7 Ca 0.41 -0.20 -0.25 0.00 0.02 0.00 0.00 54.13 54.11 2hqi s LEU 7 Cb -0.12 -0.48 -0.07 0.00 0.02 0.00 0.00 46.19 45.54 2hqi s LEU 7 CO 0.26 0.10 0.78 0.00 0.02 0.00 0.00 176.35 177.51 2hqi s ALA 8 N -0.29 3.42 -0.21 4.21 0.00 -0.29 0.11 121.76 128.71 2hqi s ALA 8 Ca 0.03 0.35 -0.04 0.00 0.00 0.00 0.00 51.96 52.30 2hqi s ALA 8 Cb -0.04 -2.98 -0.01 0.00 0.00 0.00 0.00 23.12 20.09 2hqi s ALA 8 CO -0.00 0.22 -0.03 0.08 0.00 0.00 0.00 175.76 176.03 2hqi s VAL 9 N -0.81 3.59 1.02 0.00 1.01 -1.24 0.17 120.40 124.13 2hqi s VAL 9 Ca 0.37 -0.43 -0.16 0.00 0.00 0.00 0.00 61.98 61.76 2hqi s VAL 9 Cb -0.22 -2.63 0.21 0.00 0.00 0.00 0.00 36.38 33.74 2hqi s VAL 9 CO 0.25 0.43 1.21 -2.84 0.00 0.00 0.00 175.10 174.15 2hqi s PRO 10 N 1.26 0.25 0.00 2.72 0.02 -1.25 -4.23 135.00 133.78 2hqi s PRO 10 Ca 0.03 -0.13 0.00 0.00 0.02 0.00 0.00 61.00 60.92 2hqi s PRO 10 Cb -0.14 -1.77 0.00 0.00 0.02 0.00 0.00 34.50 32.60 2hqi s PRO 10 CO -0.01 -2.72 0.00 0.41 -0.33 0.00 0.00 177.00 174.35 2hqi n GLY 11 N -2.56 2.74 5.51 0.52 0.00 -1.26 -4.43 105.19 105.70 2hqi n GLY 11 Ca 0.12 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.92 1.61 2.81 -1.26 -1.52 117.12 116.84 2hqi n MET 12 Ca 0.00 0.00 -0.39 0.00 -1.81 0.00 0.00 57.70 55.50 2hqi n MET 12 Cb 0.00 0.00 0.04 0.00 -0.71 0.00 0.00 33.22 32.55 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 0.00 3.54 -0.05 2.03 5.66 -1.26 -4.61 114.28 119.58 2hqi n THR 13 Ca 0.00 -4.26 0.04 0.00 -3.05 0.00 0.00 64.05 56.78 2hqi n THR 13 Cb 0.00 -1.24 0.23 0.00 -1.55 0.00 0.00 70.33 67.77 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 0.36 0.00 -1.99 0.00 0.00 -1.26 -3.58 120.51 114.04 2hqi n ALA 15 Ca 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.59 2hqi n ALA 15 Cb 0.78 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.23 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 -0.79 0.13 0.00 0.00 -1.26 -5.00 120.51 113.59 2hqi n ALA 16 Ca 0.00 -0.15 -0.22 0.00 0.00 0.00 0.00 53.44 53.07 2hqi n ALA 16 Cb 0.00 -0.39 -0.15 0.00 0.00 0.00 0.00 19.45 18.91 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 0.13 0.31 -0.89 0.00 0.11 -1.91 -2.51 132.00 127.25 2hqi h PRO 18 Ca -0.23 -0.18 0.26 0.00 0.11 0.00 0.00 66.00 65.96 2hqi h PRO 18 Cb 2.12 0.02 -0.04 0.00 0.11 0.00 0.00 31.00 33.21 2hqi h PRO 18 CO 0.26 0.75 0.85 0.82 -0.21 0.00 0.00 178.00 180.47 2hqi h ILE 19 N 0.25 0.24 0.12 4.15 2.04 -1.86 0.56 117.51 123.00 2hqi h ILE 19 Ca 0.01 0.00 -0.35 0.00 1.00 0.00 0.00 64.86 65.52 2hqi h ILE 19 Cb 0.99 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 2hqi h ILE 19 CO 0.08 0.00 -1.92 0.35 0.00 0.00 0.00 178.15 176.66 2hqi n THR 20 N -3.68 1.77 -0.24 -0.27 -2.24 -0.96 -4.10 114.28 104.55 2hqi n THR 20 Ca 0.19 -0.60 0.01 0.00 -2.27 0.00 0.00 64.05 61.38 2hqi n THR 20 Cb 1.14 -1.77 0.09 0.00 -2.10 0.00 0.00 70.33 67.69 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 -0.03 0.30 -0.29 2.28 2.07 0.30 0.68 116.25 121.56 2hqi h VAL 21 Ca -0.41 -0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.13 2hqi h VAL 21 Cb 1.97 0.28 -0.05 0.00 -1.52 0.00 0.00 31.29 31.97 2hqi h VAL 21 CO 0.06 0.00 -0.36 0.50 0.02 0.00 0.00 177.57 177.80 2hqi h LYS 22 N 0.01 -0.22 -0.14 1.57 3.64 -1.52 0.53 116.57 120.44 2hqi h LYS 22 Ca 0.35 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.78 2hqi h LYS 22 Cb 0.55 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 2hqi h LYS 22 CO -0.72 -0.15 0.10 0.87 -2.27 0.00 0.00 179.45 177.28 2hqi h LYS 23 N -0.23 0.02 -0.48 1.90 1.57 -1.23 -1.60 116.57 116.52 2hqi h LYS 23 Ca 0.05 -0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.92 2hqi h LYS 23 Cb 0.37 -0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.60 2hqi h LYS 23 CO -0.40 0.01 0.06 0.00 -0.57 0.00 0.00 179.45 178.56 2hqi h ALA 24 N 1.93 0.51 -0.59 3.86 0.00 0.55 2.37 119.26 127.89 2hqi h ALA 24 Ca 0.07 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2hqi h ALA 24 Cb 0.24 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2hqi h ALA 24 CO -0.00 -0.34 0.00 1.28 0.00 0.00 0.00 179.25 180.19 2hqi n LEU 25 N -5.16 0.19 0.18 0.00 4.77 -0.62 -1.36 117.00 115.00 2hqi n LEU 25 Ca 0.05 0.74 0.16 0.00 -0.03 0.00 0.00 56.01 56.93 2hqi n LEU 25 Cb 0.25 -0.40 0.57 0.00 -2.33 0.00 0.00 43.42 41.51 2hqi n LEU 25 CO 0.19 -0.40 1.14 -1.28 -1.33 0.00 0.00 177.39 175.71 2hqi h SER 26 N 0.00 0.00 0.02 -1.43 0.87 -1.41 1.47 113.55 113.08 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 -0.13 2.29 -0.53 0.00 0.00 176.83 178.46 2hqi n LYS 27 N -3.10 1.65 -0.55 2.24 2.85 0.80 -4.77 118.16 117.28 2hqi n LYS 27 Ca 0.05 -1.20 -0.00 0.00 -1.05 0.00 0.00 58.31 56.11 2hqi n LYS 27 Cb 0.76 -1.48 0.00 0.00 -0.65 0.00 0.00 35.03 33.67 2hqi n LYS 27 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 177.40 178.90 2hqi n VAL 28 N 0.37 0.00 -2.69 0.58 3.14 0.50 -4.99 118.33 115.24 2hqi n VAL 28 Ca 0.15 -0.02 -0.30 0.00 -2.96 0.00 0.00 64.34 61.21 2hqi n VAL 28 Cb 0.45 -1.47 -0.02 0.00 -1.06 0.00 0.00 33.84 31.74 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 -2.52 3.71 0.00 1.45 8.01 -1.26 -3.76 118.70 124.33 2hqi s GLU 29 Ca 0.01 0.45 0.00 0.00 0.01 0.00 0.00 54.97 55.44 2hqi s GLU 29 Cb -0.00 -2.35 0.00 0.00 -4.31 0.00 0.00 34.13 27.47 2hqi s GLU 29 CO 0.01 -0.14 0.00 0.41 0.01 0.00 0.00 175.26 175.55 2hqi n GLY 30 N -1.68 0.86 3.49 -1.39 0.00 -1.26 -4.56 105.19 100.65 2hqi n GLY 30 Ca 0.02 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.86 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 0.00 0.00 1.61 0.31 -1.25 0.15 118.33 117.15 2hqi n VAL 31 Ca 0.00 -0.49 -0.21 0.00 -0.01 0.00 0.00 64.34 63.63 2hqi n VAL 31 Cb 0.00 -0.58 -0.14 0.00 -0.91 0.00 0.00 33.84 32.22 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 11.36 0.35 -5.02 4.52 0.02 -0.13 -3.47 113.55 121.18 2hqi h SER 32 Ca 0.03 -0.85 -0.07 0.00 -0.84 0.00 0.00 61.79 60.06 2hqi h SER 32 Cb 1.09 -0.11 -0.17 0.00 0.14 0.00 0.00 62.40 63.34 2hqi h SER 32 CO 1.41 1.56 -0.02 -0.75 -1.14 0.00 0.00 176.83 177.90 2hqi s LYS 33 N -2.46 0.98 -0.13 3.45 2.20 -1.01 -4.97 119.74 117.80 2hqi s LYS 33 Ca -0.20 -0.25 -0.07 0.00 -0.36 0.00 0.00 55.97 55.09 2hqi s LYS 33 Cb 0.04 0.44 0.05 0.00 -1.51 0.00 0.00 37.83 36.85 2hqi s LYS 33 CO 0.76 -0.34 0.30 0.08 -0.36 0.00 0.00 175.35 175.79 2hqi s VAL 34 N -2.34 -0.03 -0.37 4.02 1.01 -1.26 -0.43 120.40 121.01 2hqi s VAL 34 Ca -0.06 0.11 0.01 0.00 0.00 0.00 0.00 61.98 62.04 2hqi s VAL 34 Cb -0.01 -0.46 0.14 0.00 0.00 0.00 0.00 36.38 36.06 2hqi s VAL 34 CO -0.01 0.04 0.23 -1.81 0.00 0.00 0.00 175.10 173.56 2hqi s ASP 35 N 1.13 2.75 0.12 3.32 1.11 0.78 -4.96 116.67 120.93 2hqi s ASP 35 Ca -0.08 -2.36 0.02 0.00 0.18 0.00 0.00 52.55 50.31 2hqi s ASP 35 Cb -0.08 -0.44 -0.04 0.00 1.07 0.00 0.00 42.92 43.42 2hqi s ASP 35 CO -0.08 -0.28 -0.05 -0.69 1.18 0.00 0.00 175.17 175.24 2hqi s VAL 36 N 0.86 0.74 0.01 -1.27 1.01 -1.25 0.11 120.40 120.61 2hqi s VAL 36 Ca 0.20 -1.96 -0.28 0.00 0.00 0.00 0.00 61.98 59.94 2hqi s VAL 36 Cb -0.19 -1.82 0.10 0.00 0.00 0.00 0.00 36.38 34.47 2hqi s VAL 36 CO -0.03 -0.75 0.87 -0.83 0.00 0.00 0.00 175.10 174.36 2hqi s GLY 37 N -3.09 -0.47 0.01 4.51 0.00 -0.59 -4.78 107.32 102.91 2hqi s GLY 37 Ca 0.16 0.95 0.22 0.00 0.00 0.00 0.00 44.72 46.04 2hqi s GLY 37 CO -0.02 0.31 0.94 1.97 0.00 0.00 0.00 173.10 176.30 2hqi n PHE 38 N -0.26 0.07 -0.55 1.90 -1.74 -1.26 -2.93 117.46 112.69 2hqi n PHE 38 Ca -0.09 0.02 0.46 0.00 -0.56 0.00 0.00 57.45 57.28 2hqi n PHE 38 Cb 0.62 -0.22 0.73 0.00 1.52 0.00 0.00 39.48 42.13 2hqi n PHE 38 CO 0.00 0.00 0.00 0.93 -0.56 0.00 0.00 176.76 177.13 2hqi h GLU 39 N 0.00 0.00 0.00 3.97 5.08 -1.95 -3.36 114.58 118.32 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 0.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.88 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 -3.79 0.00 0.00 2.33 5.02 -1.26 -5.07 118.16 115.38 2hqi n LYS 40 Ca 0.38 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.67 2hqi n LYS 40 Cb 1.83 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 36.84 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 -2.05 0.00 -3.83 1.97 0.00 -1.24 -4.10 116.66 107.40 2hqi n ARG 41 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 57.85 57.66 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 0.23 -0.59 2.89 2.02 -1.15 -3.69 118.70 118.41 2hqi s GLU 42 Ca 0.00 0.16 0.01 0.00 0.02 0.00 0.00 54.97 55.17 2hqi s GLU 42 Cb 0.00 -0.55 0.15 0.00 0.10 0.00 0.00 34.13 33.83 2hqi s GLU 42 CO 0.00 -0.21 0.37 0.00 0.02 0.00 0.00 175.26 175.43 2hqi s ALA 43 N 1.46 3.49 -0.29 5.21 0.00 0.31 -1.54 121.76 130.41 2hqi s ALA 43 Ca -0.04 -3.35 -0.22 0.00 0.00 0.00 0.00 51.96 48.35 2hqi s ALA 43 Cb -0.13 -2.37 -0.01 0.00 0.00 0.00 0.00 23.12 20.61 2hqi s ALA 43 CO -0.03 -2.07 0.72 0.08 0.00 0.00 0.00 175.76 174.47 2hqi s VAL 44 N -0.37 4.88 0.24 0.00 1.01 0.29 0.30 120.40 126.74 2hqi s VAL 44 Ca 0.18 1.15 -0.20 0.00 0.00 0.00 0.00 61.98 63.11 2hqi s VAL 44 Cb -0.21 -4.06 0.03 0.00 0.00 0.00 0.00 36.38 32.14 2hqi s VAL 44 CO -0.03 -0.13 0.63 0.68 0.00 0.00 0.00 175.10 176.25 2hqi s VAL 45 N 2.75 0.01 -0.27 2.92 -7.23 -0.44 0.27 120.40 118.41 2hqi s VAL 45 Ca 0.30 -0.81 -0.02 0.00 -1.81 0.00 0.00 61.98 59.63 2hqi s VAL 45 Cb -0.15 -1.74 0.09 0.00 0.56 0.00 0.00 36.38 35.14 2hqi s VAL 45 CO 0.11 -0.03 0.10 0.28 -0.31 0.00 0.00 175.10 175.24 2hqi s THR 46 N -3.89 0.46 -0.32 5.32 -1.32 0.43 -1.47 115.64 114.86 2hqi s THR 46 Ca 0.10 -0.97 -0.13 0.00 -1.21 0.00 0.00 61.69 59.48 2hqi s THR 46 Cb -0.03 -1.27 -0.03 0.00 -1.51 0.00 0.00 72.50 69.66 2hqi s THR 46 CO 0.01 -0.58 0.27 0.72 -2.21 0.00 0.00 174.62 172.83 2hqi s PHE 47 N 1.85 3.22 -0.85 9.09 -0.12 0.16 0.64 117.98 131.97 2hqi s PHE 47 Ca 0.07 0.00 -0.02 0.00 -0.05 0.00 0.00 56.93 56.93 2hqi s PHE 47 Cb -0.17 -2.51 0.28 0.00 -0.63 0.00 0.00 43.02 39.99 2hqi s PHE 47 CO -0.25 -0.30 2.14 -0.40 -0.05 0.00 0.00 175.22 176.35 2hqi n ASP 48 N 5.19 7.35 -1.83 1.98 5.75 0.39 0.17 116.55 135.54 2hqi n ASP 48 Ca -0.12 -3.65 0.00 0.00 -0.01 0.00 0.00 54.79 51.01 2hqi n ASP 48 Cb 0.50 -1.14 0.00 0.00 -1.03 0.00 0.00 41.12 39.46 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 -0.05 -0.66 0.25 -1.12 -0.08 -1.26 -4.60 116.55 109.04 2hqi n ASP 49 Ca 0.52 0.33 0.16 0.00 -1.51 0.00 0.00 54.79 54.29 2hqi n ASP 49 Cb 0.29 -0.67 0.86 0.00 2.34 0.00 0.00 41.12 43.94 2hqi n ASP 49 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 2hqi h THR 50 N 0.00 0.00 0.00 5.18 2.02 -1.82 -3.30 112.91 114.99 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 0.66 0.70 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 2hqi h THR 50 CO 0.00 0.00 0.00 0.29 0.37 0.00 0.00 175.52 176.18 2hqi n LYS 51 N -2.64 0.00 0.00 6.66 5.02 -1.26 -4.69 118.16 121.25 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 0.10 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.11 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 -2.89 7.82 0.00 -1.24 -4.79 120.51 119.41 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 0.31 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.71 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 0.60 0.14 0.00 0.15 -1.26 -4.03 113.70 111.29 2hqi s SER 53 Ca 0.00 -1.34 -0.18 0.00 0.70 0.00 0.00 55.95 55.12 2hqi s SER 53 Cb 0.00 0.62 -0.00 0.00 -1.71 0.00 0.00 66.02 64.92 2hqi s SER 53 CO 0.00 -1.21 1.75 1.62 1.20 0.00 0.00 173.24 176.59 2hqi h VAL 54 N 2.20 0.92 -0.35 4.45 3.04 -1.92 0.54 116.25 125.12 2hqi h VAL 54 Ca -0.29 -0.07 -0.13 0.00 -1.01 0.00 0.00 66.70 65.20 2hqi h VAL 54 Cb 1.24 0.71 -0.01 0.00 -2.01 0.00 0.00 31.29 31.22 2hqi h VAL 54 CO 0.39 0.04 -0.32 1.56 -1.01 0.00 0.00 177.57 178.23 2hqi h GLN 55 N 0.19 0.77 0.02 4.17 1.08 -1.97 0.13 115.11 119.50 2hqi h GLN 55 Ca 0.12 -0.36 -0.00 0.00 -1.45 0.00 0.00 58.65 56.95 2hqi h GLN 55 Cb 0.09 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.51 2hqi h GLN 55 CO -0.13 0.98 -0.01 0.87 -0.95 0.00 0.00 178.83 179.60 2hqi h LYS 56 N 0.65 -0.02 0.17 1.46 1.57 -1.80 0.23 116.57 118.83 2hqi h LYS 56 Ca 0.07 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 2hqi h LYS 56 Cb 0.85 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.17 2hqi h LYS 56 CO 0.07 0.24 -0.08 1.37 -0.57 0.00 0.00 179.45 180.48 2hqi h LEU 57 N -0.29 -0.20 -0.42 2.94 8.10 0.10 -2.78 115.31 122.77 2hqi h LEU 57 Ca -0.00 -0.21 0.08 0.00 0.11 0.00 0.00 57.88 57.85 2hqi h LEU 57 Cb 0.27 0.05 -0.07 0.00 -0.44 0.00 0.00 40.66 40.48 2hqi h LEU 57 CO 0.00 0.11 0.00 0.71 -4.11 0.00 0.00 178.44 175.16 2hqi h THR 58 N -0.52 0.69 -0.55 0.15 1.35 -0.76 -1.44 112.91 111.84 2hqi h THR 58 Ca -0.02 -0.04 0.09 0.00 -0.55 0.00 0.00 66.41 65.89 2hqi h THR 58 Cb 0.40 0.57 -0.11 0.00 -1.73 0.00 0.00 68.15 67.28 2hqi h THR 58 CO 0.04 0.02 -0.36 0.50 -0.25 0.00 0.00 175.52 175.47 2hqi h LYS 59 N 0.11 -0.20 -0.80 4.72 3.64 -0.44 0.77 116.57 124.38 2hqi h LYS 59 Ca 0.21 0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.70 2hqi h LYS 59 Cb 0.29 0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.08 2hqi h LYS 59 CO -0.34 -0.13 0.44 0.00 -2.27 0.00 0.00 179.45 177.15 2hqi h ALA 60 N 0.83 1.14 -0.31 5.00 0.00 -1.03 0.13 119.26 125.02 2hqi h ALA 60 Ca 0.20 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 2hqi h ALA 60 Cb 0.56 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2hqi h ALA 60 CO -0.65 0.04 0.17 1.79 0.00 0.00 0.00 179.25 180.60 2hqi h THR 61 N 0.72 1.13 0.00 0.00 1.35 0.95 -0.53 112.91 116.54 2hqi h THR 61 Ca 0.39 -0.34 0.00 0.00 -0.55 0.00 0.00 66.41 65.91 2hqi h THR 61 Cb 0.40 0.79 0.00 0.00 -1.73 0.00 0.00 68.15 67.61 2hqi h THR 61 CO -0.27 0.13 0.00 0.00 -0.25 0.00 0.00 175.52 175.14 2hqi n ALA 62 N -2.22 1.48 0.89 6.62 0.00 0.22 -1.70 120.51 125.80 2hqi n ALA 62 Ca -0.01 -0.04 0.13 0.00 0.00 0.00 0.00 53.44 53.52 2hqi n ALA 62 Cb 0.08 -1.17 0.51 0.00 0.00 0.00 0.00 19.45 18.86 2hqi n ALA 62 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2hqi n ASP 63 N -1.49 0.28 -0.87 0.00 2.03 -0.11 -3.25 116.55 113.14 2hqi n ASP 63 Ca 0.03 0.42 0.07 0.00 0.52 0.00 0.00 54.79 55.82 2hqi n ASP 63 Cb 0.12 -0.45 0.22 0.00 -0.72 0.00 0.00 41.12 40.29 2hqi n ASP 63 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2hqi n ALA 64 N -1.58 2.50 0.00 -1.67 0.00 -0.69 -4.93 120.51 114.13 2hqi n ALA 64 Ca 0.06 -1.48 0.00 0.00 0.00 0.00 0.00 53.44 52.02 2hqi n ALA 64 Cb 0.37 -0.61 0.00 0.00 0.00 0.00 0.00 19.45 19.21 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 0.44 2.82 3.22 0.00 0.00 -1.20 -4.95 105.19 105.52 2hqi n GLY 65 Ca 0.17 0.00 -0.36 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 -1.67 3.27 0.00 1.61 2.02 -1.23 -4.93 117.35 116.43 2hqi s TYR 66 Ca 0.00 -1.67 0.00 0.00 -0.37 0.00 0.00 57.07 55.03 2hqi s TYR 66 Cb 0.00 -2.25 0.00 0.00 -0.40 0.00 0.00 41.96 39.31 2hqi s TYR 66 CO 0.00 -0.77 0.00 -0.35 -1.57 0.00 0.00 175.55 172.86 2hqi n PRO 67 N 4.72 3.69 -0.69 -1.71 -0.04 -1.23 -3.72 135.00 136.01 2hqi n PRO 67 Ca -0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 2hqi n PRO 67 Cb 0.44 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.90 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 -3.31 3.54 2.88 -1.26 -3.77 113.62 111.69 2hqi n SER 68 Ca 0.00 -0.40 -0.05 0.00 -1.33 0.00 0.00 58.87 57.09 2hqi n SER 68 Cb 0.00 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.47 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 0.36 -0.03 0.07 -3.46 0.01 0.44 -4.74 113.70 106.35 2hqi s SER 69 Ca 0.00 -0.77 -0.07 0.00 1.31 0.00 0.00 55.95 56.42 2hqi s SER 69 Cb 0.00 0.61 -0.05 0.00 0.21 0.00 0.00 66.02 66.79 2hqi s SER 69 CO 0.00 -1.21 0.34 0.54 0.41 0.00 0.00 173.24 173.33 2hqi s VAL 70 N -2.46 5.19 -0.15 3.43 0.11 -1.26 -1.14 120.40 124.12 2hqi s VAL 70 Ca 0.18 0.22 -0.05 0.00 -2.93 0.00 0.00 61.98 59.41 2hqi s VAL 70 Cb -0.03 -3.61 0.07 0.00 -1.53 0.00 0.00 36.38 31.28 2hqi s VAL 70 CO 0.07 0.25 0.27 -0.75 -3.33 0.00 0.00 175.10 171.61 2hqi s LYS 71 N -2.05 0.17 0.00 1.54 2.36 0.76 -4.12 119.74 118.40 2hqi s LYS 71 Ca 0.33 0.69 0.00 0.00 -2.55 0.00 0.00 55.97 54.44 2hqi s LYS 71 Cb -0.13 -0.18 0.00 0.00 -1.05 0.00 0.00 37.83 36.47 2hqi s LYS 71 CO 0.19 -0.35 0.50 1.04 1.55 0.00 0.00 175.35 178.29