#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 -0.70 -3.72 0.00 5.66 -1.26 -4.84 114.28 109.42 2hqi n THR 2 Ca 0.00 0.11 -0.05 0.00 -3.05 0.00 0.00 64.05 61.06 2hqi n THR 2 Cb 0.00 -1.30 -0.02 0.00 -1.55 0.00 0.00 70.33 67.47 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 -0.22 1.24 -0.38 1.09 -0.21 0.51 -4.57 119.66 117.12 2hqi s GLN 3 Ca 0.00 -0.65 -0.03 0.00 0.02 0.00 0.00 55.36 54.70 2hqi s GLN 3 Cb 0.00 0.45 0.09 0.00 1.00 0.00 0.00 33.01 34.55 2hqi s GLN 3 CO 0.00 -0.57 0.14 -0.08 -2.12 0.00 0.00 175.29 172.67 2hqi s THR 4 N -3.39 3.21 0.00 -0.19 -1.32 -1.26 -1.07 115.64 111.62 2hqi s THR 4 Ca 0.10 -1.85 0.00 0.00 -1.21 0.00 0.00 61.69 58.74 2hqi s THR 4 Cb -0.02 -3.10 0.00 0.00 -1.51 0.00 0.00 72.50 67.87 2hqi s THR 4 CO 0.01 -0.52 0.00 0.52 -2.21 0.00 0.00 174.62 172.42 2hqi n VAL 5 N 4.60 0.00 -3.59 5.08 0.31 -0.61 -4.97 118.33 119.15 2hqi n VAL 5 Ca -0.05 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 63.95 2hqi n VAL 5 Cb 0.42 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 33.30 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 -2.81 5.10 -0.01 2.52 2.01 -0.48 -1.62 115.64 120.34 2hqi s THR 6 Ca 0.00 0.30 0.02 0.00 0.31 0.00 0.00 61.69 62.32 2hqi s THR 6 Cb 0.00 -3.63 -0.00 0.00 0.01 0.00 0.00 72.50 68.88 2hqi s THR 6 CO 0.00 0.15 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.25 2hqi s LEU 7 N -2.30 1.90 -0.14 4.42 1.02 0.86 0.27 118.68 124.72 2hqi s LEU 7 Ca 0.38 -0.13 -0.03 0.00 0.02 0.00 0.00 54.13 54.36 2hqi s LEU 7 Cb -0.13 -0.39 -0.03 0.00 0.02 0.00 0.00 46.19 45.66 2hqi s LEU 7 CO 0.21 0.07 -0.04 0.00 0.02 0.00 0.00 176.35 176.61 2hqi s ALA 8 N 0.01 3.03 0.86 4.21 0.00 -0.62 0.29 121.76 129.53 2hqi s ALA 8 Ca 0.00 -0.82 -0.06 0.00 0.00 0.00 0.00 51.96 51.08 2hqi s ALA 8 Cb -0.05 -1.52 0.12 0.00 0.00 0.00 0.00 23.12 21.66 2hqi s ALA 8 CO -0.00 0.28 0.72 1.33 0.00 0.00 0.00 175.76 178.09 2hqi n VAL 9 N 3.28 0.00 0.26 0.00 0.24 -1.04 -0.36 118.33 120.70 2hqi n VAL 9 Ca -0.17 -0.70 0.03 0.00 -2.04 0.00 0.00 64.34 61.45 2hqi n VAL 9 Cb 0.53 -1.49 -0.03 0.00 -1.47 0.00 0.00 33.84 31.37 2hqi n VAL 9 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 2hqi n PRO 10 N -2.46 5.11 0.15 7.34 -0.04 -1.26 -4.65 135.00 139.19 2hqi n PRO 10 Ca 0.10 -0.02 -0.13 0.00 -0.04 0.00 0.00 63.50 63.41 2hqi n PRO 10 Cb 0.34 -0.76 -0.06 0.00 -0.04 0.00 0.00 33.50 32.98 2hqi n PRO 10 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2hqi h GLY 11 N 1.28 -0.43 -5.49 0.55 0.00 -1.90 -3.48 103.07 93.60 2hqi h GLY 11 Ca 0.00 0.22 0.01 0.00 0.00 0.00 0.00 47.33 47.56 2hqi h GLY 11 CO 0.00 -0.19 -0.86 1.03 0.00 0.00 0.00 176.54 176.52 2hqi n MET 12 N -5.32 -3.10 -4.31 4.80 2.81 -1.26 -3.15 117.12 107.59 2hqi n MET 12 Ca -0.08 2.44 -0.35 0.00 -1.81 0.00 0.00 57.70 57.90 2hqi n MET 12 Cb 0.23 -3.10 -0.09 0.00 -0.71 0.00 0.00 33.22 29.56 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 2.10 -0.48 0.09 2.03 5.66 -1.18 -4.74 114.28 117.76 2hqi n THR 13 Ca -0.22 -0.24 -0.02 0.00 -3.05 0.00 0.00 64.05 60.52 2hqi n THR 13 Cb 0.35 -0.71 0.15 0.00 -1.55 0.00 0.00 70.33 68.56 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 0.10 0.00 -1.51 0.00 0.00 -1.26 -3.72 120.51 114.12 2hqi n ALA 15 Ca 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.61 2hqi n ALA 15 Cb 0.80 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.25 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 -0.85 0.01 0.00 0.00 -1.26 -4.99 120.51 113.43 2hqi n ALA 16 Ca 0.00 -0.07 -0.22 0.00 0.00 0.00 0.00 53.44 53.16 2hqi n ALA 16 Cb 0.00 -0.23 -0.14 0.00 0.00 0.00 0.00 19.45 19.08 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 -0.16 0.00 -0.48 0.00 0.11 -1.90 -2.34 132.00 127.24 2hqi h PRO 18 Ca -0.36 0.00 0.14 0.00 0.11 0.00 0.00 66.00 65.89 2hqi h PRO 18 Cb 1.88 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.97 2hqi h PRO 18 CO 0.07 0.35 0.62 0.82 -0.21 0.00 0.00 178.00 179.64 2hqi h ILE 19 N 0.00 0.23 0.09 4.15 2.04 -1.85 0.26 117.51 122.43 2hqi h ILE 19 Ca -0.00 0.00 -0.33 0.00 1.00 0.00 0.00 64.86 65.53 2hqi h ILE 19 Cb 0.91 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 37.45 2hqi h ILE 19 CO 0.05 0.00 -1.77 0.71 0.00 0.00 0.00 178.15 177.13 2hqi h THR 20 N 0.00 0.72 -0.82 -0.27 1.35 -1.60 -3.36 112.91 108.93 2hqi h THR 20 Ca 0.23 -2.30 0.20 0.00 -0.55 0.00 0.00 66.41 63.99 2hqi h THR 20 Cb 1.47 2.43 -0.14 0.00 -1.73 0.00 0.00 68.15 70.18 2hqi h THR 20 CO -0.00 0.73 0.11 0.58 -0.25 0.00 0.00 175.52 176.68 2hqi h VAL 21 N -0.25 0.31 -0.12 6.82 2.07 -0.47 0.53 116.25 125.14 2hqi h VAL 21 Ca -0.40 -0.05 0.01 0.00 0.82 0.00 0.00 66.70 67.08 2hqi h VAL 21 Cb 1.82 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 2hqi h VAL 21 CO 0.00 0.03 -0.16 0.50 0.02 0.00 0.00 177.57 177.96 2hqi h LYS 22 N 0.15 -0.11 -0.76 1.57 3.64 -1.49 0.26 116.57 119.82 2hqi h LYS 22 Ca 0.48 0.01 0.12 0.00 -1.27 0.00 0.00 60.65 59.99 2hqi h LYS 22 Cb 0.92 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.71 2hqi h LYS 22 CO -0.68 -0.07 0.50 0.87 -2.27 0.00 0.00 179.45 177.80 2hqi h LYS 23 N -0.11 0.56 -0.62 1.90 1.57 -1.23 -0.75 116.57 117.89 2hqi h LYS 23 Ca 0.02 -0.03 0.13 0.00 -1.87 0.00 0.00 60.65 58.89 2hqi h LYS 23 Cb 0.17 -0.13 -0.10 0.00 0.08 0.00 0.00 32.23 32.25 2hqi h LYS 23 CO -0.17 0.37 0.07 0.00 -0.57 0.00 0.00 179.45 179.15 2hqi h ALA 24 N 1.63 0.68 -0.08 3.86 0.00 0.34 2.38 119.26 128.07 2hqi h ALA 24 Ca 0.36 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.43 2hqi h ALA 24 Cb 0.61 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2hqi h ALA 24 CO -0.13 -0.36 0.00 1.28 0.00 0.00 0.00 179.25 180.04 2hqi n LEU 25 N -5.21 0.02 0.08 0.00 4.77 -0.31 -0.86 117.00 115.50 2hqi n LEU 25 Ca 0.09 0.85 0.04 0.00 -0.03 0.00 0.00 56.01 56.97 2hqi n LEU 25 Cb 0.35 -0.49 0.22 0.00 -2.33 0.00 0.00 43.42 41.18 2hqi n LEU 25 CO 0.14 -0.49 0.65 -1.54 -1.33 0.00 0.00 177.39 174.82 2hqi n SER 26 N -1.96 0.21 -0.67 -1.43 3.41 -1.09 0.17 113.62 112.27 2hqi n SER 26 Ca 0.00 0.52 0.09 0.00 -0.26 0.00 0.00 58.87 59.23 2hqi n SER 26 Cb 0.00 -0.53 0.06 0.00 -0.26 0.00 0.00 64.21 63.48 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 -1.76 1.61 -0.27 4.33 -0.00 0.80 -4.80 118.16 118.08 2hqi n LYS 27 Ca -0.01 -1.43 0.00 0.00 -0.00 0.00 0.00 58.31 56.87 2hqi n LYS 27 Cb 0.13 -1.36 0.00 0.00 -0.00 0.00 0.00 35.03 33.81 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 0.77 0.00 -3.40 0.58 3.14 0.13 -4.97 118.33 114.57 2hqi n VAL 28 Ca 0.10 0.00 -0.33 0.00 -2.96 0.00 0.00 64.34 61.15 2hqi n VAL 28 Cb 0.45 -1.50 -0.06 0.00 -1.06 0.00 0.00 33.84 31.67 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 -0.66 3.87 0.00 1.45 8.01 -1.26 -3.88 118.70 126.23 2hqi s GLU 29 Ca 0.00 0.35 0.00 0.00 0.01 0.00 0.00 54.97 55.33 2hqi s GLU 29 Cb 0.00 -2.77 0.00 0.00 -4.31 0.00 0.00 34.13 27.05 2hqi s GLU 29 CO 0.00 0.39 0.00 0.41 0.01 0.00 0.00 175.26 176.07 2hqi n GLY 30 N 0.28 2.17 1.79 -1.39 0.00 -1.25 -4.40 105.19 102.40 2hqi n GLY 30 Ca -0.02 0.00 -0.22 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 0.13 0.01 1.61 0.31 -1.25 0.27 118.33 117.41 2hqi n VAL 31 Ca 0.00 -0.27 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 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 1.34 -0.12 -4.08 4.52 2.88 0.13 -4.43 113.62 113.84 2hqi n SER 32 Ca 0.05 0.03 -0.19 0.00 -1.33 0.00 0.00 58.87 57.43 2hqi n SER 32 Cb 0.24 0.52 -0.14 0.00 -0.75 0.00 0.00 64.21 64.08 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 -2.00 0.83 -0.22 -1.46 2.47 -0.95 -4.88 119.74 113.54 2hqi s LYS 33 Ca 0.00 -0.56 -0.04 0.00 -1.56 0.00 0.00 55.97 53.80 2hqi s LYS 33 Cb 0.00 -0.80 0.08 0.00 -1.46 0.00 0.00 37.83 35.64 2hqi s LYS 33 CO 0.00 0.21 0.10 0.54 0.16 0.00 0.00 175.35 176.35 2hqi s VAL 34 N -0.60 0.01 -0.47 4.02 0.11 -1.26 0.22 120.40 122.43 2hqi s VAL 34 Ca 0.02 -0.45 0.03 0.00 -2.93 0.00 0.00 61.98 58.64 2hqi s VAL 34 Cb -0.06 -0.79 0.15 0.00 -1.53 0.00 0.00 36.38 34.14 2hqi s VAL 34 CO 0.00 -0.44 0.29 -1.81 -3.33 0.00 0.00 175.10 169.81 2hqi s ASP 35 N 2.08 3.51 0.04 3.54 1.01 0.76 -4.96 116.67 122.64 2hqi s ASP 35 Ca 0.04 -2.87 -0.03 0.00 0.71 0.00 0.00 52.55 50.41 2hqi s ASP 35 Cb -0.16 -1.04 -0.02 0.00 1.01 0.00 0.00 42.92 42.71 2hqi s ASP 35 CO -0.19 -0.23 0.02 -0.69 0.21 0.00 0.00 175.17 174.30 2hqi s VAL 36 N 0.05 0.15 0.00 -1.27 1.01 -1.25 0.30 120.40 119.40 2hqi s VAL 36 Ca 0.21 -1.27 -0.29 0.00 0.00 0.00 0.00 61.98 60.63 2hqi s VAL 36 Cb -0.17 -0.93 0.10 0.00 0.00 0.00 0.00 36.38 35.38 2hqi s VAL 36 CO -0.05 -0.70 0.92 -0.83 0.00 0.00 0.00 175.10 174.43 2hqi s GLY 37 N -2.21 -0.43 0.22 4.51 0.00 0.81 -4.76 107.32 105.46 2hqi s GLY 37 Ca -0.04 0.94 0.24 0.00 0.00 0.00 0.00 44.72 45.87 2hqi s GLY 37 CO -0.05 0.31 1.50 0.27 0.00 0.00 0.00 173.10 175.13 2hqi h PHE 38 N 2.00 0.00 -0.67 1.90 -0.00 -1.86 -2.75 116.94 115.56 2hqi h PHE 38 Ca -0.22 0.00 0.20 0.00 -0.00 0.00 0.00 57.97 57.95 2hqi h PHE 38 Cb 1.24 0.00 -0.03 0.00 -0.00 0.00 0.00 35.95 37.16 2hqi h PHE 38 CO 0.27 0.00 0.82 0.93 -0.00 0.00 0.00 178.31 180.33 2hqi h GLU 39 N 0.00 0.00 0.00 6.09 5.08 -1.94 -3.12 114.58 120.68 2hqi h GLU 39 Ca 0.00 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.20 2hqi h GLU 39 Cb 0.81 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.94 2hqi h GLU 39 CO 0.00 0.00 -0.11 1.63 -1.00 0.00 0.00 179.01 179.53 2hqi n LYS 40 N -3.41 0.67 -3.34 2.33 5.02 -1.25 -4.71 118.16 113.47 2hqi n LYS 40 Ca 0.14 -1.28 -0.23 0.00 -2.02 0.00 0.00 58.31 54.92 2hqi n LYS 40 Cb 1.05 -0.17 -0.05 0.00 -0.02 0.00 0.00 35.03 35.84 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 -0.30 -0.87 -4.19 1.97 -4.01 -1.21 -4.85 116.66 103.20 2hqi n ARG 41 Ca -0.11 0.07 -0.34 0.00 -1.04 0.00 0.00 57.85 56.43 2hqi n ARG 41 Cb 0.74 -2.55 -0.12 0.00 -3.04 0.00 0.00 32.46 27.49 2hqi n ARG 41 CO 0.00 0.00 0.00 -1.83 -3.04 0.00 0.00 177.63 172.76 2hqi s GLU 42 N -4.86 3.63 -0.45 2.89 -1.05 -1.04 -2.49 118.70 115.34 2hqi s GLU 42 Ca 0.36 -0.52 0.02 0.00 -0.15 0.00 0.00 54.97 54.68 2hqi s GLU 42 Cb -0.21 -3.01 0.14 0.00 -0.44 0.00 0.00 34.13 30.61 2hqi s GLU 42 CO 0.59 0.10 0.27 0.00 0.95 0.00 0.00 175.26 177.17 2hqi s ALA 43 N 0.76 2.06 -0.10 -0.84 0.00 0.84 -0.13 121.76 124.36 2hqi s ALA 43 Ca -0.00 -2.60 -0.20 0.00 0.00 0.00 0.00 51.96 49.15 2hqi s ALA 43 Cb -0.14 -1.84 -0.04 0.00 0.00 0.00 0.00 23.12 21.09 2hqi s ALA 43 CO 0.02 -2.06 0.55 0.08 0.00 0.00 0.00 175.76 174.35 2hqi s VAL 44 N 0.23 5.14 0.39 0.00 1.01 0.89 0.30 120.40 128.36 2hqi s VAL 44 Ca 0.20 1.11 -0.13 0.00 0.00 0.00 0.00 61.98 63.16 2hqi s VAL 44 Cb -0.19 -3.89 0.05 0.00 0.00 0.00 0.00 36.38 32.36 2hqi s VAL 44 CO -0.04 0.31 0.75 0.68 0.00 0.00 0.00 175.10 176.80 2hqi s VAL 45 N 0.64 0.00 -0.35 2.92 -7.23 -0.64 0.27 120.40 116.01 2hqi s VAL 45 Ca 0.30 -1.09 0.00 0.00 -1.81 0.00 0.00 61.98 59.37 2hqi s VAL 45 Cb -0.16 -2.90 0.14 0.00 0.56 0.00 0.00 36.38 34.02 2hqi s VAL 45 CO 0.13 0.00 0.24 -0.89 -0.31 0.00 0.00 175.10 174.27 2hqi s THR 46 N -2.32 -0.01 -0.30 5.32 2.01 0.13 -1.58 115.64 118.90 2hqi s THR 46 Ca 0.18 -1.40 -0.11 0.00 0.31 0.00 0.00 61.69 60.66 2hqi s THR 46 Cb -0.04 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.43 2hqi s THR 46 CO 0.13 -0.86 0.19 0.72 -0.69 0.00 0.00 174.62 174.12 2hqi s PHE 47 N 1.31 3.21 0.50 4.92 -0.12 -0.23 0.17 117.98 127.74 2hqi s PHE 47 Ca 0.16 -0.07 0.06 0.00 -0.05 0.00 0.00 56.93 57.04 2hqi s PHE 47 Cb -0.20 -2.40 0.04 0.00 -0.63 0.00 0.00 43.02 39.83 2hqi s PHE 47 CO -0.05 -0.26 0.68 0.16 -0.05 0.00 0.00 175.22 175.70 2hqi s ASP 48 N 1.73 5.39 -0.22 1.98 1.47 0.77 0.19 116.67 127.97 2hqi s ASP 48 Ca 0.07 -0.41 -0.03 0.00 1.18 0.00 0.00 52.55 53.35 2hqi s ASP 48 Cb -0.16 -0.48 -0.09 0.00 -0.34 0.00 0.00 42.92 41.85 2hqi s ASP 48 CO 0.10 -1.02 1.80 -0.90 0.68 0.00 0.00 175.17 175.82 2hqi n ASP 49 N -2.09 2.63 0.10 2.11 5.75 -1.26 -3.74 116.55 120.04 2hqi n ASP 49 Ca 0.10 -2.01 0.12 0.00 -0.01 0.00 0.00 54.79 52.99 2hqi n ASP 49 Cb 0.60 -0.70 0.18 0.00 -1.03 0.00 0.00 41.12 40.17 2hqi n ASP 49 CO 0.00 0.00 0.00 0.74 -0.11 0.00 0.00 177.20 177.83 2hqi h THR 50 N 2.91 0.00 0.00 2.12 2.02 -1.87 -3.44 112.91 114.65 2hqi h THR 50 Ca 0.17 -0.64 0.00 0.00 0.77 0.00 0.00 66.41 66.71 2hqi h THR 50 Cb 0.46 1.33 0.00 0.00 -1.74 0.00 0.00 68.15 68.20 2hqi h THR 50 CO 0.69 0.00 0.00 0.29 0.37 0.00 0.00 175.52 176.87 2hqi n LYS 51 N -2.36 0.00 -1.53 6.66 4.76 -1.26 -4.65 118.16 119.78 2hqi n LYS 51 Ca 0.03 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.47 2hqi n LYS 51 Cb 0.47 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.66 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 -2.54 7.82 0.00 -1.26 -4.69 120.51 119.83 2hqi n ALA 52 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 2hqi n ALA 52 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 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 -0.62 0.99 0.08 0.00 0.15 -1.26 -4.48 113.70 108.56 2hqi s SER 53 Ca 0.00 -1.54 -0.19 0.00 0.70 0.00 0.00 55.95 54.92 2hqi s SER 53 Cb 0.00 0.56 -0.09 0.00 -1.71 0.00 0.00 66.02 64.78 2hqi s SER 53 CO 0.00 -1.11 1.53 1.62 1.20 0.00 0.00 173.24 176.48 2hqi h VAL 54 N 2.23 1.24 0.00 4.45 3.04 -1.92 0.39 116.25 125.68 2hqi h VAL 54 Ca -0.28 -0.84 -0.04 0.00 -1.01 0.00 0.00 66.70 64.53 2hqi h VAL 54 Cb 1.24 1.36 -0.01 0.00 -2.01 0.00 0.00 31.29 31.88 2hqi h VAL 54 CO 0.40 0.26 -0.21 -0.61 -1.01 0.00 0.00 177.57 176.40 2hqi h GLN 55 N 0.16 0.00 0.02 4.17 4.15 -1.98 -2.18 115.11 119.45 2hqi h GLN 55 Ca 0.06 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.48 2hqi h GLN 55 Cb 0.37 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.06 2hqi h GLN 55 CO 0.01 0.21 -0.01 0.87 -1.93 0.00 0.00 178.83 177.98 2hqi h LYS 56 N 0.00 -0.03 0.11 1.69 1.57 -1.85 -1.69 116.57 116.36 2hqi h LYS 56 Ca -0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2hqi h LYS 56 Cb 0.92 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.24 2hqi h LYS 56 CO 0.03 0.69 -0.05 1.37 -0.57 0.00 0.00 179.45 180.92 2hqi h LEU 57 N -0.90 -0.13 -0.51 2.94 8.10 -0.27 -2.46 115.31 122.08 2hqi h LEU 57 Ca -0.00 0.00 0.07 0.00 0.11 0.00 0.00 57.88 58.06 2hqi h LEU 57 Cb 0.74 0.03 -0.06 0.00 -0.44 0.00 0.00 40.66 40.93 2hqi h LEU 57 CO 0.01 -0.09 0.20 0.71 -4.11 0.00 0.00 178.44 175.15 2hqi h THR 58 N -0.15 0.85 -0.67 0.15 1.35 -1.51 -1.10 112.91 111.83 2hqi h THR 58 Ca -0.01 -0.13 0.13 0.00 -0.55 0.00 0.00 66.41 65.84 2hqi h THR 58 Cb 0.11 0.43 -0.13 0.00 -1.73 0.00 0.00 68.15 66.83 2hqi h THR 58 CO 0.02 0.07 -0.23 0.50 -0.25 0.00 0.00 175.52 175.63 2hqi h LYS 59 N 0.39 -0.05 -0.90 4.72 3.11 -0.85 1.10 116.57 124.09 2hqi h LYS 59 Ca 0.24 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 58.07 2hqi h LYS 59 Cb 0.24 0.01 -0.04 0.00 -1.00 0.00 0.00 32.23 31.44 2hqi h LYS 59 CO -0.23 -0.03 0.49 0.00 -2.81 0.00 0.00 179.45 176.86 2hqi h ALA 60 N 1.47 1.16 -0.75 5.00 0.00 -0.95 -1.06 119.26 124.13 2hqi h ALA 60 Ca 0.31 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 2hqi h ALA 60 Cb 0.53 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2hqi h ALA 60 CO -0.72 0.67 0.32 1.79 0.00 0.00 0.00 179.25 181.32 2hqi h THR 61 N 1.27 1.25 0.00 0.00 1.35 0.16 -1.04 112.91 115.90 2hqi h THR 61 Ca 0.32 -0.76 0.00 0.00 -0.55 0.00 0.00 66.41 65.42 2hqi h THR 61 Cb 0.03 0.35 0.00 0.00 -1.73 0.00 0.00 68.15 66.80 2hqi h THR 61 CO -0.05 0.31 0.00 0.00 -0.25 0.00 0.00 175.52 175.53 2hqi h ALA 62 N 1.16 1.00 -0.03 6.62 0.00 0.17 -2.14 119.26 126.04 2hqi h ALA 62 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2hqi h ALA 62 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2hqi h ALA 62 CO -0.02 0.00 0.00 -3.47 0.00 0.00 0.00 179.25 175.76 2hqi n ASP 63 N -2.63 1.06 -0.35 0.00 -0.08 -0.40 -3.49 116.55 110.65 2hqi n ASP 63 Ca 0.01 -1.40 0.03 0.00 -1.51 0.00 0.00 54.79 51.93 2hqi n ASP 63 Cb 0.27 -0.02 0.07 0.00 2.34 0.00 0.00 41.12 43.78 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 -0.16 2.25 0.00 -1.67 0.00 -0.81 -4.96 120.51 115.16 2hqi n ALA 64 Ca 0.20 -0.88 0.00 0.00 0.00 0.00 0.00 53.44 52.75 2hqi n ALA 64 Cb 0.27 -0.26 0.00 0.00 0.00 0.00 0.00 19.45 19.46 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 0.23 3.04 3.17 0.00 0.00 -1.23 -4.97 105.19 105.43 2hqi n GLY 65 Ca 0.06 -0.40 -0.35 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.04 3.26 0.00 1.61 1.51 -1.19 -4.94 117.35 115.57 2hqi s TYR 66 Ca 0.00 -1.86 0.00 0.00 -1.01 0.00 0.00 57.07 54.20 2hqi s TYR 66 Cb 0.00 -2.11 0.00 0.00 -0.11 0.00 0.00 41.96 39.74 2hqi s TYR 66 CO 0.00 -0.80 0.00 -2.30 -1.11 0.00 0.00 175.55 171.34 2hqi n PRO 67 N 4.63 3.31 -3.89 -1.71 -0.02 -1.16 -3.78 135.00 132.38 2hqi n PRO 67 Ca -0.13 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.26 2hqi n PRO 67 Cb 0.43 0.00 -0.01 0.00 -0.02 0.00 0.00 33.50 33.90 2hqi n PRO 67 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2hqi s SER 68 N -0.85 0.05 0.28 2.55 0.15 -1.26 -4.02 113.70 110.60 2hqi s SER 68 Ca 0.00 -1.02 -0.11 0.00 0.70 0.00 0.00 55.95 55.52 2hqi s SER 68 Cb 0.00 0.75 0.00 0.00 -1.71 0.00 0.00 66.02 65.06 2hqi s SER 68 CO 0.00 -1.45 0.51 -0.44 1.20 0.00 0.00 173.24 173.06 2hqi s SER 69 N -3.05 0.11 0.36 5.45 0.01 0.51 -4.89 113.70 112.21 2hqi s SER 69 Ca 0.18 -1.06 -0.16 0.00 1.31 0.00 0.00 55.95 56.22 2hqi s SER 69 Cb -0.04 0.63 -0.09 0.00 0.21 0.00 0.00 66.02 66.73 2hqi s SER 69 CO 0.11 -1.22 0.80 0.68 0.41 0.00 0.00 173.24 174.01 2hqi s VAL 70 N -3.67 4.61 -0.12 3.43 -7.23 -1.26 -1.59 120.40 114.57 2hqi s VAL 70 Ca 0.23 1.06 -0.04 0.00 -1.81 0.00 0.00 61.98 61.42 2hqi s VAL 70 Cb -0.01 -3.62 0.06 0.00 0.56 0.00 0.00 36.38 33.37 2hqi s VAL 70 CO 0.11 -0.26 0.23 -0.75 -0.31 0.00 0.00 175.10 174.13 2hqi s LYS 71 N -3.13 0.12 0.00 4.82 2.36 0.75 -4.28 119.74 120.38 2hqi s LYS 71 Ca 0.56 0.68 0.00 0.00 -2.55 0.00 0.00 55.97 54.66 2hqi s LYS 71 Cb -0.10 -0.14 0.00 0.00 -1.05 0.00 0.00 37.83 36.54 2hqi s LYS 71 CO 0.18 -0.30 0.00 1.04 1.55 0.00 0.00 175.35 177.81