#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hqj s ILE 3 N 0.00 4.28 -0.12 -0.61 1.01 -1.26 -1.50 121.20 123.00 3hqj s ILE 3 Ca 0.00 1.84 -0.24 0.00 0.00 0.00 0.00 60.65 62.25 3hqj s ILE 3 Cb 0.00 -4.18 -0.27 0.00 0.01 0.00 0.00 42.46 38.03 3hqj s ILE 3 CO 0.00 0.26 0.69 0.58 0.00 0.00 0.00 174.94 176.46 3hqj h VAL 4 N 4.10 1.46 -1.88 2.92 2.07 -0.76 -3.47 116.25 120.69 3hqj h VAL 4 Ca -0.43 -2.39 0.28 0.00 0.82 0.00 0.00 66.70 64.98 3hqj h VAL 4 Cb 1.21 3.06 -0.09 0.00 -1.52 0.00 0.00 31.29 33.95 3hqj h VAL 4 CO 0.74 0.61 0.74 -0.83 0.02 0.00 0.00 177.57 178.85 3hqj s GLY 5 N -4.50 -0.26 0.04 2.17 0.00 -1.19 -4.33 107.32 99.25 3hqj s GLY 5 Ca -0.19 0.33 0.02 0.00 0.00 0.00 0.00 44.72 44.89 3hqj s GLY 5 CO 0.73 1.31 -0.08 0.54 0.00 0.00 0.00 173.10 175.60 3hqj s VAL 6 N -2.50 0.59 0.04 1.40 0.11 -1.26 -1.36 120.40 117.42 3hqj s VAL 6 Ca 0.17 -0.96 -0.01 0.00 -2.93 0.00 0.00 61.98 58.25 3hqj s VAL 6 Cb 0.02 -0.62 -0.03 0.00 -1.53 0.00 0.00 36.38 34.22 3hqj s VAL 6 CO -0.01 -0.28 -0.01 -0.83 -3.33 0.00 0.00 175.10 170.64 3hqj s GLY 7 N -1.35 0.34 0.04 6.54 0.00 -0.25 -3.51 107.32 109.13 3hqj s GLY 7 Ca -0.07 -0.87 0.00 0.00 0.00 0.00 0.00 44.72 43.79 3hqj s GLY 7 CO 0.00 -0.96 -0.04 -1.50 0.00 0.00 0.00 173.10 170.60 3hqj s ILE 8 N -2.73 0.28 -0.17 0.90 2.07 -1.26 -1.35 121.20 118.93 3hqj s ILE 8 Ca -0.04 -1.30 -0.14 0.00 -1.41 0.00 0.00 60.65 57.76 3hqj s ILE 8 Cb -0.01 -0.82 0.05 0.00 0.13 0.00 0.00 42.46 41.81 3hqj s ILE 8 CO -0.06 -0.66 0.45 -0.62 -1.91 0.00 0.00 174.94 172.15 3hqj s ASP 9 N -2.05 -0.50 -0.09 4.50 2.15 -0.82 -4.67 116.67 115.19 3hqj s ASP 9 Ca -0.06 0.93 -0.02 0.00 0.43 0.00 0.00 52.55 53.83 3hqj s ASP 9 Cb -0.03 0.91 -0.03 0.00 -0.30 0.00 0.00 42.92 43.46 3hqj s ASP 9 CO -0.04 -0.17 0.00 -0.76 -0.17 0.00 0.00 175.17 174.04 3hqj s LEU 10 N 0.54 3.56 -0.07 -1.34 1.43 -1.26 -1.99 118.68 119.55 3hqj s LEU 10 Ca -0.02 0.12 0.01 0.00 -1.03 0.00 0.00 54.13 53.21 3hqj s LEU 10 Cb -0.04 -1.82 0.02 0.00 0.03 0.00 0.00 46.19 44.38 3hqj s LEU 10 CO -0.03 0.36 -0.08 -0.69 0.23 0.00 0.00 176.35 176.14 3hqj s VAL 11 N -0.77 0.91 -0.21 -1.59 1.01 -0.23 -5.00 120.40 114.51 3hqj s VAL 11 Ca 0.12 -0.31 -0.29 0.00 0.00 0.00 0.00 61.98 61.50 3hqj s VAL 11 Cb -0.11 -0.88 -0.02 0.00 0.00 0.00 0.00 36.38 35.36 3hqj s VAL 11 CO 0.02 0.32 1.42 -0.55 0.00 0.00 0.00 175.10 176.31 3hqj s SER 12 N 1.04 6.67 0.06 3.32 0.15 -1.26 -0.71 113.70 122.97 3hqj s SER 12 Ca -0.08 1.59 -0.24 0.00 0.70 0.00 0.00 55.95 57.92 3hqj s SER 12 Cb -0.14 -2.54 -0.17 0.00 -1.71 0.00 0.00 66.02 61.46 3hqj s SER 12 CO -0.00 -1.02 1.60 0.40 1.20 0.00 0.00 173.24 175.42 3hqj h ILE 13 N 5.83 1.02 -0.68 6.45 2.04 -1.17 0.14 117.51 131.14 3hqj h ILE 13 Ca -0.30 -0.29 -0.06 0.00 1.00 0.00 0.00 64.86 65.21 3hqj h ILE 13 Cb 1.12 1.21 -0.03 0.00 -0.74 0.00 0.00 36.82 38.39 3hqj h ILE 13 CO 1.00 0.07 0.18 -0.65 0.00 0.00 0.00 178.15 178.74 3hqj h PRO 14 N -0.21 1.07 -0.45 2.37 0.11 -1.93 0.92 132.00 133.88 3hqj h PRO 14 Ca -0.01 -0.24 -0.10 0.00 0.11 0.00 0.00 66.00 65.76 3hqj h PRO 14 Cb 0.18 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.13 3hqj h PRO 14 CO 0.01 0.94 -0.12 -0.44 -0.21 0.00 0.00 178.00 178.19 3hqj h ASP 15 N 1.02 0.82 -0.61 -2.05 3.32 -1.91 -1.78 116.42 115.24 3hqj h ASP 15 Ca 0.22 -0.25 -0.02 0.00 0.02 0.00 0.00 57.03 56.99 3hqj h ASP 15 Cb 0.34 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.64 3hqj h ASP 15 CO -0.00 0.95 0.29 0.15 -1.72 0.00 0.00 179.24 178.91 3hqj h PHE 16 N 0.74 0.88 -0.57 4.55 3.57 -0.32 -1.43 116.94 124.36 3hqj h PHE 16 Ca 0.12 -0.04 0.06 0.00 3.53 0.00 0.00 57.97 61.63 3hqj h PHE 16 Cb 0.61 -0.27 -0.05 0.00 2.79 0.00 0.00 35.95 39.03 3hqj h PHE 16 CO 0.03 0.67 0.29 0.00 -2.23 0.00 0.00 178.31 177.07 3hqj h ALA 17 N 1.12 0.74 -0.51 2.41 0.00 -0.49 -1.07 119.26 121.46 3hqj h ALA 17 Ca 0.21 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.04 3hqj h ALA 17 Cb 0.12 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3hqj h ALA 17 CO -0.03 -0.06 -0.10 1.49 0.00 0.00 0.00 179.25 180.55 3hqj h GLU 18 N 0.54 0.97 -0.79 0.00 4.81 -1.15 -2.08 114.58 116.88 3hqj h GLU 18 Ca 0.26 -0.36 -0.05 0.00 -0.13 0.00 0.00 59.36 59.08 3hqj h GLU 18 Cb 0.18 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 3hqj h GLU 18 CO -0.18 1.03 0.31 1.96 -0.73 0.00 0.00 179.01 181.40 3hqj h GLN 19 N 0.84 1.18 0.00 1.92 1.08 -0.82 -2.91 115.11 116.40 3hqj h GLN 19 Ca 0.13 -0.22 0.00 0.00 -1.45 0.00 0.00 58.65 57.12 3hqj h GLN 19 Cb 0.66 -0.19 0.00 0.00 -0.05 0.00 0.00 27.48 27.90 3hqj h GLN 19 CO 0.05 0.96 -0.02 -0.39 -0.95 0.00 0.00 178.83 178.48 3hqj h VAL 20 N 1.15 0.00 0.00 -0.54 -1.51 -1.16 -3.51 116.25 110.68 3hqj h VAL 20 Ca 0.26 -0.73 0.00 0.00 -1.23 0.00 0.00 66.70 65.00 3hqj h VAL 20 Cb 0.23 1.72 0.00 0.00 -2.13 0.00 0.00 31.29 31.10 3hqj h VAL 20 CO -0.02 0.00 0.00 0.47 -1.23 0.00 0.00 177.57 176.79 3hqj n ASP 21 N -2.66 0.00 0.00 4.19 8.00 -0.79 -5.10 116.55 120.20 3hqj n ASP 21 Ca 0.05 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.55 3hqj n ASP 21 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.58 3hqj n ASP 21 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3hqj n THR 30 N 0.00 0.00 -4.60 -3.53 -2.24 -1.26 -4.95 114.28 97.70 3hqj n THR 30 Ca 0.00 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.45 3hqj n THR 30 Cb 0.00 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.12 3hqj n THR 30 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3hqj s PHE 31 N -2.74 2.84 0.71 4.78 0.08 -1.26 -3.13 117.98 119.26 3hqj s PHE 31 Ca 0.00 -0.06 -0.11 0.00 0.12 0.00 0.00 56.93 56.88 3hqj s PHE 31 Cb 0.00 -1.63 0.02 0.00 -0.57 0.00 0.00 43.02 40.84 3hqj s PHE 31 CO 0.00 0.32 1.09 0.95 -0.10 0.00 0.00 175.22 177.48 3hqj s THR 32 N -0.89 3.60 0.25 0.64 -4.23 -1.26 -4.85 115.64 108.90 3hqj s THR 32 Ca 0.15 0.52 -0.03 0.00 -1.18 0.00 0.00 61.69 61.14 3hqj s THR 32 Cb -0.11 -3.46 0.23 0.00 1.34 0.00 0.00 72.50 70.50 3hqj s THR 32 CO 0.04 -0.68 1.83 -0.65 -0.54 0.00 0.00 174.62 174.63 3hqj h PRO 33 N -0.68 0.89 -0.08 3.99 0.11 -2.00 0.16 132.00 134.39 3hqj h PRO 33 Ca -0.45 -0.05 0.03 0.00 0.11 0.00 0.00 66.00 65.63 3hqj h PRO 33 Cb 1.25 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 32.13 3hqj h PRO 33 CO 0.63 0.59 -0.08 0.78 -0.21 0.00 0.00 178.00 179.70 3hqj h GLY 34 N 0.92 -0.02 0.73 -0.55 0.00 -1.96 0.26 103.07 102.45 3hqj h GLY 34 Ca 0.41 0.10 0.03 0.00 0.00 0.00 0.00 47.33 47.87 3hqj h GLY 34 CO -0.22 -0.09 0.03 0.83 0.00 0.00 0.00 176.54 177.09 3hqj h GLU 35 N -0.10 0.11 -0.67 4.80 5.08 -1.62 0.36 114.58 122.54 3hqj h GLU 35 Ca 0.06 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 3hqj h GLU 35 Cb 0.19 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 3hqj h GLU 35 CO -0.14 0.07 0.37 0.00 -1.00 0.00 0.00 179.01 178.32 3hqj h ARG 36 N 0.12 0.93 -0.01 2.33 3.08 -0.75 -0.42 114.38 119.65 3hqj h ARG 36 Ca 0.10 -0.11 0.02 0.00 0.07 0.00 0.00 59.98 60.07 3hqj h ARG 36 Cb 0.11 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 29.94 3hqj h ARG 36 CO -0.14 0.70 -0.14 -0.09 -1.07 0.00 0.00 179.97 179.22 3hqj h ARG 37 N 0.92 -0.22 -0.93 0.04 2.43 -0.35 -2.31 114.38 113.95 3hqj h ARG 37 Ca 0.24 0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.47 3hqj h ARG 37 Cb 0.03 0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 29.58 3hqj h ARG 37 CO -0.04 -0.15 0.61 -0.44 -1.51 0.00 0.00 179.97 178.44 3hqj h ASP 38 N -0.23 0.97 0.57 -3.80 3.32 -0.64 -2.57 116.42 114.05 3hqj h ASP 38 Ca 0.05 -0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.00 3hqj h ASP 38 Cb 0.30 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 3hqj h ASP 38 CO -0.15 0.65 -0.48 0.00 -1.72 0.00 0.00 179.24 177.53 3hqj h ALA 39 N 1.48 1.12 -2.92 3.45 0.00 -0.94 -3.51 119.26 117.94 3hqj h ALA 39 Ca 0.39 -0.44 -0.65 0.00 0.00 0.00 0.00 54.91 54.21 3hqj h ALA 39 Cb 0.11 -0.08 -0.20 0.00 0.00 0.00 0.00 17.79 17.62 3hqj h ALA 39 CO -0.13 0.60 -0.57 -1.54 0.00 0.00 0.00 179.25 177.60 3hqj s SER 40 N -6.78 5.56 -0.21 0.00 1.04 -0.88 -3.83 113.70 108.60 3hqj s SER 40 Ca -0.02 -0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.29 3hqj s SER 40 Cb 0.13 -2.02 0.00 0.00 0.10 0.00 0.00 66.02 64.23 3hqj s SER 40 CO 0.73 -0.05 0.00 -1.54 0.98 0.00 0.00 173.24 173.36 3hqj n SER 45 N 4.99 -2.21 0.07 7.02 3.41 -1.26 -4.93 113.62 120.72 3hqj n SER 45 Ca -0.15 0.05 0.01 0.00 -0.26 0.00 0.00 58.87 58.52 3hqj n SER 45 Cb 0.52 -1.76 0.33 0.00 -0.26 0.00 0.00 64.21 63.04 3hqj n SER 45 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hqj h ALA 46 N 0.31 1.40 -0.35 7.33 0.00 -2.00 -3.26 119.26 122.68 3hqj h ALA 46 Ca -0.04 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 54.68 3hqj h ALA 46 Cb 0.41 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 3hqj h ALA 46 CO 0.06 0.42 0.10 0.00 0.00 0.00 0.00 179.25 179.82 3hqj h ALA 47 N 1.55 0.39 -0.75 0.00 0.00 -1.95 0.29 119.26 118.79 3hqj h ALA 47 Ca 0.06 0.05 0.13 0.00 0.00 0.00 0.00 54.91 55.16 3hqj h ALA 47 Cb 0.42 0.05 -0.14 0.00 0.00 0.00 0.00 17.79 18.13 3hqj h ALA 47 CO 0.02 -0.30 -0.30 -0.09 0.00 0.00 0.00 179.25 178.58 3hqj h ARG 48 N 0.23 -0.07 -0.18 0.00 2.43 -1.89 0.91 114.38 115.81 3hqj h ARG 48 Ca 0.16 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.19 3hqj h ARG 48 Cb 0.16 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 3hqj h ARG 48 CO -0.19 -0.05 -0.47 0.45 -1.51 0.00 0.00 179.97 178.21 3hqj h HIS 49 N -0.07 0.82 -0.62 2.20 3.86 -1.36 -2.07 115.15 117.90 3hqj h HIS 49 Ca 0.31 -0.32 -0.06 0.00 -1.16 0.00 0.00 60.37 59.14 3hqj h HIS 49 Cb 0.57 -0.14 -0.03 0.00 1.06 0.00 0.00 27.41 28.87 3hqj h HIS 49 CO -0.69 1.09 0.15 -0.07 0.86 0.00 0.00 177.93 179.27 3hqj h LEU 50 N 0.31 0.95 -0.65 2.43 3.38 -0.81 -2.31 115.31 118.60 3hqj h LEU 50 Ca -0.01 -0.24 0.04 0.00 0.09 0.00 0.00 57.88 57.76 3hqj h LEU 50 Cb 1.08 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.54 3hqj h LEU 50 CO 0.10 0.94 0.39 0.00 0.09 0.00 0.00 178.44 179.96 3hqj h ALA 51 N 1.04 0.86 -0.15 1.53 0.00 -0.77 0.19 119.26 121.96 3hqj h ALA 51 Ca 0.19 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 3hqj h ALA 51 Cb 0.36 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3hqj h ALA 51 CO 0.00 0.13 -0.40 0.00 0.00 0.00 0.00 179.25 178.98 3hqj h ALA 52 N 1.30 1.05 -0.43 0.00 0.00 -1.27 0.09 119.26 120.00 3hqj h ALA 52 Ca 0.27 -0.41 -0.13 0.00 0.00 0.00 0.00 54.91 54.63 3hqj h ALA 52 Cb 0.07 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3hqj h ALA 52 CO -0.13 0.60 -0.26 0.00 0.00 0.00 0.00 179.25 179.46 3hqj h ARG 53 N 0.27 0.92 -0.25 0.00 3.08 -1.07 -0.73 114.38 116.60 3hqj h ARG 53 Ca 0.03 -0.41 0.02 0.00 0.07 0.00 0.00 59.98 59.69 3hqj h ARG 53 Cb 0.82 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.83 3hqj h ARG 53 CO 0.07 1.06 0.10 2.35 -1.07 0.00 0.00 179.97 182.48 3hqj h TRP 54 N 0.78 0.18 -0.91 3.04 2.91 -0.36 -1.37 115.95 120.23 3hqj h TRP 54 Ca 0.09 0.01 0.06 0.00 1.13 0.00 0.00 58.89 60.19 3hqj h TRP 54 Cb 0.82 -0.04 -0.06 0.00 -0.51 0.00 0.00 29.16 29.37 3hqj h TRP 54 CO 0.05 0.09 0.57 0.00 -1.03 0.00 0.00 178.44 178.12 3hqj h ALA 55 N 1.15 1.25 -0.31 2.65 0.00 -0.86 -1.12 119.26 122.03 3hqj h ALA 55 Ca 0.11 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 3hqj h ALA 55 Cb 0.06 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3hqj h ALA 55 CO -0.10 0.35 0.02 0.00 0.00 0.00 0.00 179.25 179.51 3hqj h ALA 56 N 1.42 0.41 -0.39 0.00 0.00 -0.84 0.83 119.26 120.68 3hqj h ALA 56 Ca 0.39 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 55.11 3hqj h ALA 56 Cb 0.15 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3hqj h ALA 56 CO -0.17 0.15 0.20 0.87 0.00 0.00 0.00 179.25 180.30 3hqj h LYS 57 N 0.34 0.40 -0.91 0.00 1.57 -1.02 -1.49 116.57 115.45 3hqj h LYS 57 Ca 0.09 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 3hqj h LYS 57 Cb 0.41 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.58 3hqj h LYS 57 CO 0.01 0.26 0.54 0.93 -0.57 0.00 0.00 179.45 180.63 3hqj h GLU 58 N 0.41 1.24 -0.59 3.15 4.39 -1.06 -1.05 114.58 121.06 3hqj h GLU 58 Ca 0.16 -0.12 -0.05 0.00 0.34 0.00 0.00 59.36 59.70 3hqj h GLU 58 Cb 0.06 -0.26 -0.02 0.00 -0.10 0.00 0.00 28.75 28.43 3hqj h GLU 58 CO -0.11 0.87 0.19 0.00 -1.16 0.00 0.00 179.01 178.79 3hqj h ALA 59 N 1.34 0.77 -0.29 3.43 0.00 -0.55 -0.47 119.26 123.50 3hqj h ALA 59 Ca 0.33 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3hqj h ALA 59 Cb -0.04 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3hqj h ALA 59 CO -0.06 0.44 0.11 0.28 0.00 0.00 0.00 179.25 180.02 3hqj h VAL 60 N 0.84 1.18 -0.54 0.00 2.07 -0.88 -0.73 116.25 118.18 3hqj h VAL 60 Ca 0.19 -0.57 0.03 0.00 0.82 0.00 0.00 66.70 67.18 3hqj h VAL 60 Cb 0.29 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 3hqj h VAL 60 CO -0.01 0.19 0.31 0.40 0.02 0.00 0.00 177.57 178.49 3hqj h ILE 61 N 0.32 1.03 -0.69 4.57 2.04 -1.04 -0.91 117.51 122.82 3hqj h ILE 61 Ca 0.10 -0.21 -0.06 0.00 1.00 0.00 0.00 64.86 65.69 3hqj h ILE 61 Cb 0.20 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 36.61 3hqj h ILE 61 CO -0.01 0.11 0.19 0.11 0.00 0.00 0.00 178.15 178.56 3hqj h LYS 62 N 0.61 1.10 -0.52 2.37 1.57 -0.77 0.74 116.57 121.66 3hqj h LYS 62 Ca 0.22 -0.25 -0.04 0.00 -1.87 0.00 0.00 60.65 58.72 3hqj h LYS 62 Cb 0.06 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 3hqj h LYS 62 CO -0.12 0.96 0.18 0.00 -0.57 0.00 0.00 179.45 179.90 3hqj h ALA 63 N 1.09 0.68 0.18 3.86 0.00 -0.80 0.64 119.26 124.91 3hqj h ALA 63 Ca 0.22 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3hqj h ALA 63 Cb 0.34 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3hqj h ALA 63 CO -0.00 0.32 -0.09 2.35 0.00 0.00 0.00 179.25 181.83 3hqj h TRP 64 N 0.71 -0.23 -0.95 0.00 7.01 -0.88 -3.11 115.95 118.50 3hqj h TRP 64 Ca 0.17 -0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.20 3hqj h TRP 64 Cb 0.24 0.08 -0.06 0.00 -2.10 0.00 0.00 29.16 27.32 3hqj h TRP 64 CO 0.01 0.17 0.62 1.03 -2.79 0.00 0.00 178.44 177.48 3hqj h SER 65 N -0.91 1.03 -0.90 2.65 0.87 -0.93 -0.07 113.55 115.30 3hqj h SER 65 Ca -0.03 -0.01 0.22 0.00 -1.23 0.00 0.00 61.79 60.74 3hqj h SER 65 Cb 0.50 -0.24 -0.06 0.00 -0.44 0.00 0.00 62.40 62.16 3hqj h SER 65 CO 0.04 0.71 0.60 1.23 -0.53 0.00 0.00 176.83 178.89 3hqj h GLY 66 N 1.20 0.71 1.54 5.77 0.00 -0.95 0.16 103.07 111.51 3hqj h GLY 66 Ca 0.38 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.56 3hqj h GLY 66 CO -0.12 -0.01 0.00 -1.14 0.00 0.00 0.00 176.54 175.27 3hqj n SER 67 N -4.47 0.00 -1.92 0.19 3.41 -0.04 -3.56 113.62 107.22 3hqj n SER 67 Ca 0.19 -0.03 -0.23 0.00 -0.26 0.00 0.00 58.87 58.54 3hqj n SER 67 Cb 0.75 -0.27 0.07 0.00 -0.26 0.00 0.00 64.21 64.51 3hqj n SER 67 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3hqj n ARG 68 N -1.27 3.00 -1.60 4.33 1.74 0.55 -5.05 116.66 118.36 3hqj n ARG 68 Ca 0.10 -3.74 -0.49 0.00 -0.77 0.00 0.00 57.85 52.94 3hqj n ARG 68 Cb 0.16 -2.19 -0.05 0.00 -1.02 0.00 0.00 32.46 29.36 3hqj n ARG 68 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3hqj n PHE 69 N -0.85 1.59 -0.97 -1.55 7.35 -1.23 -1.17 117.46 120.63 3hqj n PHE 69 Ca 0.47 0.59 0.00 0.00 -0.76 0.00 0.00 57.45 57.74 3hqj n PHE 69 Cb 0.90 -2.35 0.00 0.00 0.35 0.00 0.00 39.48 38.38 3hqj n PHE 69 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3hqj n ALA 70 N 2.17 0.00 -2.75 3.13 0.00 -1.26 -5.00 120.51 116.81 3hqj n ALA 70 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.28 3hqj n ALA 70 Cb 0.24 -0.78 -0.07 0.00 0.00 0.00 0.00 19.45 18.83 3hqj n ALA 70 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3hqj s GLN 71 N -1.02 2.92 0.27 0.00 -0.21 -0.32 -5.09 119.66 116.21 3hqj s GLN 71 Ca 0.00 -0.58 -0.31 0.00 0.02 0.00 0.00 55.36 54.49 3hqj s GLN 71 Cb 0.00 -2.76 -0.12 0.00 1.00 0.00 0.00 33.01 31.13 3hqj s GLN 71 CO 0.00 0.62 1.64 0.50 -2.12 0.00 0.00 175.29 175.93 3hqj s ARG 72 N -1.88 4.12 0.66 2.91 3.52 -1.26 -4.95 118.95 122.06 3hqj s ARG 72 Ca 0.24 2.60 -0.17 0.00 -0.13 0.00 0.00 55.73 58.26 3hqj s ARG 72 Cb -0.12 -3.04 -0.02 0.00 -1.56 0.00 0.00 34.95 30.21 3hqj s ARG 72 CO 0.15 -0.68 0.99 -2.30 -0.81 0.00 0.00 175.30 172.65 3hqj n PRO 73 N 2.78 0.75 -0.13 5.12 -0.02 -1.26 -5.13 135.00 137.11 3hqj n PRO 73 Ca 0.11 0.31 0.03 0.00 -2.02 0.00 0.00 63.50 61.92 3hqj n PRO 73 Cb 0.37 -2.22 0.04 0.00 -0.02 0.00 0.00 33.50 31.66 3hqj n PRO 73 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 3hqj n MET 74 N -1.45 1.24 0.00 -0.52 1.56 -1.26 -5.26 117.12 111.43 3hqj n MET 74 Ca 0.14 -1.50 0.00 0.00 -0.27 0.00 0.00 57.70 56.06 3hqj n MET 74 Cb 0.48 -0.94 0.00 0.00 2.15 0.00 0.00 33.22 34.92 3hqj n MET 74 CO 0.00 0.00 0.00 1.51 -0.73 0.00 0.00 175.97 176.75 3hqj n ILE 79 N -0.57 0.00 -0.25 1.12 3.06 -1.26 -5.07 119.36 116.39 3hqj n ILE 79 Ca 0.05 0.00 -0.03 0.00 -2.50 0.00 0.00 62.75 60.26 3hqj n ILE 79 Cb 0.51 0.00 0.13 0.00 0.54 0.00 0.00 39.64 40.82 3hqj n ILE 79 CO 0.00 0.00 0.00 0.45 -2.50 0.00 0.00 176.55 174.50 3hqj h HIS 80 N 0.00 1.09 0.00 9.51 3.86 -1.94 -2.06 115.15 125.61 3hqj h HIS 80 Ca 0.00 -0.05 -0.04 0.00 -1.16 0.00 0.00 60.37 59.11 3hqj h HIS 80 Cb 0.00 -0.34 -0.01 0.00 1.06 0.00 0.00 27.41 28.12 3hqj h HIS 80 CO 0.00 0.80 -0.20 -0.09 0.86 0.00 0.00 177.93 179.30 3hqj h ARG 81 N 1.08 0.00 -0.00 2.45 2.43 -1.94 -2.65 114.38 115.75 3hqj h ARG 81 Ca 0.26 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.43 3hqj h ARG 81 Cb 0.13 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 3hqj h ARG 81 CO -0.03 0.20 -0.03 -0.25 -1.51 0.00 0.00 179.97 178.36 3hqj n ASP 82 N -4.14 0.15 -4.13 -3.80 8.00 -0.78 -4.32 116.55 107.52 3hqj n ASP 82 Ca -0.02 -0.51 -0.38 0.00 0.71 0.00 0.00 54.79 54.59 3hqj n ASP 82 Cb 0.27 -0.15 -0.09 0.00 -0.02 0.00 0.00 41.12 41.12 3hqj n ASP 82 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3hqj s ILE 83 N -2.38 3.78 -0.19 0.53 -1.09 -1.00 -1.11 121.20 119.74 3hqj s ILE 83 Ca 0.34 -2.52 -0.08 0.00 -2.23 0.00 0.00 60.65 56.16 3hqj s ILE 83 Cb 0.21 -3.49 -0.04 0.00 -1.58 0.00 0.00 42.46 37.55 3hqj s ILE 83 CO 0.44 -0.82 0.08 -0.70 -1.23 0.00 0.00 174.94 172.70 3hqj s GLU 84 N 0.47 4.00 -0.41 2.79 2.12 0.21 -4.83 118.70 123.06 3hqj s GLU 84 Ca 0.13 -0.32 -0.24 0.00 0.36 0.00 0.00 54.97 54.90 3hqj s GLU 84 Cb -0.21 -3.26 0.02 0.00 0.26 0.00 0.00 34.13 30.93 3hqj s GLU 84 CO -0.04 0.26 0.82 0.08 -0.54 0.00 0.00 175.26 175.84 3hqj s VAL 85 N 0.43 4.65 -0.05 3.70 1.01 -1.26 -0.36 120.40 128.52 3hqj s VAL 85 Ca 0.04 0.75 -0.10 0.00 0.00 0.00 0.00 61.98 62.67 3hqj s VAL 85 Cb -0.12 -4.29 -0.05 0.00 0.00 0.00 0.00 36.38 31.92 3hqj s VAL 85 CO 0.00 -0.59 0.27 -0.69 0.00 0.00 0.00 175.10 174.09 3hqj s VAL 86 N 3.29 5.29 0.04 2.92 1.01 0.15 -4.56 120.40 128.54 3hqj s VAL 86 Ca 0.32 0.44 0.07 0.00 0.00 0.00 0.00 61.98 62.81 3hqj s VAL 86 Cb -0.12 -3.55 -0.03 0.00 0.00 0.00 0.00 36.38 32.68 3hqj s VAL 86 CO 0.20 0.55 -0.17 0.42 0.00 0.00 0.00 175.10 176.10 3hqj s THR 87 N -1.11 2.86 0.07 3.92 -4.23 -1.26 -0.58 115.64 115.31 3hqj s THR 87 Ca 0.21 -1.14 -0.01 0.00 -1.18 0.00 0.00 61.69 59.57 3hqj s THR 87 Cb -0.14 -2.21 0.01 0.00 1.34 0.00 0.00 72.50 71.51 3hqj s THR 87 CO 0.10 0.35 0.09 -0.90 -0.54 0.00 0.00 174.62 173.72 3hqj n ASP 88 N 1.57 0.05 0.20 3.99 5.68 -0.78 -4.86 116.55 122.41 3hqj n ASP 88 Ca -0.16 -1.06 0.15 0.00 -0.50 0.00 0.00 54.79 53.21 3hqj n ASP 88 Cb 0.52 -0.07 0.62 0.00 -1.14 0.00 0.00 41.12 41.06 3hqj n ASP 88 CO 0.00 0.00 0.00 0.24 -1.33 0.00 0.00 177.20 176.11 3hqj h MET 89 N 0.00 0.00 -0.35 0.11 2.86 -2.01 -1.46 114.93 114.08 3hqj h MET 89 Ca -0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 3hqj h MET 89 Cb 0.09 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.75 3hqj h MET 89 CO 0.03 0.00 0.00 0.91 1.06 0.00 0.00 176.91 178.91 3hqj n TRP 90 N -2.61 0.44 -0.97 -0.22 8.01 -1.26 -4.98 117.44 115.86 3hqj n TRP 90 Ca 0.01 -0.22 0.00 0.00 -1.31 0.00 0.00 57.50 55.98 3hqj n TRP 90 Cb 0.23 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.53 3hqj n TRP 90 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3hqj n GLY 91 N 1.47 0.50 3.74 6.99 0.00 -0.55 -5.03 105.19 112.31 3hqj n GLY 91 Ca 0.19 -0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 3hqj n GLY 91 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hqj s ARG 92 N -0.34 4.38 0.22 1.61 0.52 -1.26 -4.71 118.95 119.37 3hqj s ARG 92 Ca 0.00 2.09 -0.21 0.00 -0.52 0.00 0.00 55.73 57.10 3hqj s ARG 92 Cb 0.00 -3.18 -0.08 0.00 0.52 0.00 0.00 34.95 32.21 3hqj s ARG 92 CO 0.00 -0.26 0.74 -1.25 0.02 0.00 0.00 175.30 174.54 3hqj s PRO 93 N -0.26 4.30 -0.11 3.54 0.04 -1.26 -1.87 135.00 139.38 3hqj s PRO 93 Ca 0.56 0.92 -0.09 0.00 0.04 0.00 0.00 61.00 62.43 3hqj s PRO 93 Cb -0.37 -2.92 0.03 0.00 0.04 0.00 0.00 34.50 31.28 3hqj s PRO 93 CO 0.40 0.41 0.29 0.50 0.04 0.00 0.00 177.00 178.64 3hqj s ARG 94 N -1.88 0.32 -0.00 4.56 3.52 0.25 -4.87 118.95 120.84 3hqj s ARG 94 Ca 0.42 0.45 -0.22 0.00 -0.13 0.00 0.00 55.73 56.25 3hqj s ARG 94 Cb -0.17 0.10 -0.05 0.00 -1.56 0.00 0.00 34.95 33.27 3hqj s ARG 94 CO 0.22 -0.07 0.65 0.08 -0.81 0.00 0.00 175.30 175.36 3hqj s VAL 95 N 0.43 4.89 -0.12 7.11 1.01 -1.26 0.35 120.40 132.81 3hqj s VAL 95 Ca -0.02 1.36 0.03 0.00 0.00 0.00 0.00 61.98 63.35 3hqj s VAL 95 Cb -0.04 -3.99 0.01 0.00 0.00 0.00 0.00 36.38 32.36 3hqj s VAL 95 CO -0.02 0.38 -0.22 -0.60 0.00 0.00 0.00 175.10 174.64 3hqj s ARG 96 N -0.01 2.95 0.02 2.72 3.52 0.52 -4.93 118.95 123.73 3hqj s ARG 96 Ca 0.34 -0.84 -0.05 0.00 -0.13 0.00 0.00 55.73 55.05 3hqj s ARG 96 Cb -0.19 -2.31 -0.05 0.00 -1.56 0.00 0.00 34.95 30.85 3hqj s ARG 96 CO 0.19 0.08 0.24 -0.51 -0.81 0.00 0.00 175.30 174.49 3hqj s LEU 97 N 0.59 4.36 0.40 -0.88 1.43 -1.26 -0.62 118.68 122.71 3hqj s LEU 97 Ca -0.13 0.47 0.05 0.00 -1.03 0.00 0.00 54.13 53.49 3hqj s LEU 97 Cb -0.17 -2.72 -0.02 0.00 0.03 0.00 0.00 46.19 43.31 3hqj s LEU 97 CO 0.03 0.23 0.17 0.42 0.23 0.00 0.00 176.35 177.43 3hqj s THR 98 N -1.35 0.44 0.00 5.49 -4.23 -0.27 -4.82 115.64 110.90 3hqj s THR 98 Ca 0.29 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.80 3hqj s THR 98 Cb -0.13 -2.34 0.00 0.00 1.34 0.00 0.00 72.50 71.37 3hqj s THR 98 CO 0.18 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.87 3hqj n GLY 99 N -0.88 0.43 0.25 3.99 0.00 -1.26 -2.67 105.19 105.06 3hqj n GLY 99 Ca -0.04 -0.83 -0.14 0.00 0.00 0.00 0.00 46.02 45.02 3hqj n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hqj h ALA 100 N -0.64 0.49 0.00 4.61 0.00 -1.99 -2.70 119.26 119.04 3hqj h ALA 100 Ca 0.00 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 3hqj h ALA 100 Cb 0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 3hqj h ALA 100 CO 0.00 0.64 -0.06 -0.84 0.00 0.00 0.00 179.25 178.99 3hqj h ILE 101 N 0.67 0.83 -0.14 0.00 -0.00 -1.94 -1.83 117.51 115.09 3hqj h ILE 101 Ca 0.04 -0.22 -0.08 0.00 -0.00 0.00 0.00 64.86 64.60 3hqj h ILE 101 Cb 1.05 1.13 -0.01 0.00 -0.00 0.00 0.00 36.82 38.98 3hqj h ILE 101 CO 0.10 0.06 -0.25 0.00 -0.00 0.00 0.00 178.15 178.06 3hqj h ALA 102 N 1.94 1.31 0.34 0.16 0.00 -1.25 -1.44 119.26 120.32 3hqj h ALA 102 Ca -0.00 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 3hqj h ALA 102 Cb 0.12 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3hqj h ALA 102 CO 0.01 0.47 -0.16 0.93 0.00 0.00 0.00 179.25 180.49 3hqj h GLU 103 N 0.23 -0.43 -0.89 0.00 5.08 -1.33 -2.73 114.58 114.50 3hqj h GLU 103 Ca 0.04 0.03 0.09 0.00 -1.00 0.00 0.00 59.36 58.52 3hqj h GLU 103 Cb 0.58 0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.86 3hqj h GLU 103 CO 0.04 -0.12 0.57 1.88 -1.00 0.00 0.00 179.01 180.39 3hqj h TYR 104 N -0.80 0.96 -0.69 4.33 0.05 -1.25 -2.41 116.97 117.17 3hqj h TYR 104 Ca -0.05 0.03 -0.30 0.00 0.05 0.00 0.00 58.73 58.46 3hqj h TYR 104 Cb 0.52 -0.31 -0.18 0.00 1.01 0.00 0.00 36.73 37.77 3hqj h TYR 104 CO 0.02 0.46 0.30 1.28 -1.05 0.00 0.00 178.16 179.17 3hqj n LEU 105 N -4.52 5.64 -0.30 3.88 4.77 -0.56 -4.79 117.00 121.12 3hqj n LEU 105 Ca 0.15 -3.49 0.12 0.00 -0.03 0.00 0.00 56.01 52.76 3hqj n LEU 105 Cb 0.28 -0.73 0.27 0.00 -2.33 0.00 0.00 43.42 40.91 3hqj n LEU 105 CO 0.31 1.00 0.89 0.00 -1.33 0.00 0.00 177.39 178.27 3hqj h ALA 106 N 1.56 1.19 -0.32 -1.18 0.00 -1.10 -1.83 119.26 117.57 3hqj h ALA 106 Ca 0.37 0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.53 3hqj h ALA 106 Cb 2.28 0.40 0.00 0.00 0.00 0.00 0.00 17.79 20.47 3hqj h ALA 106 CO 0.74 -0.50 0.00 -0.25 0.00 0.00 0.00 179.25 179.24 3hqj n ASP 107 N -5.31 3.10 -4.73 0.00 8.00 -1.26 -4.97 116.55 111.39 3hqj n ASP 107 Ca 0.21 -1.94 -0.38 0.00 0.71 0.00 0.00 54.79 53.39 3hqj n ASP 107 Cb 0.68 -0.21 -0.06 0.00 -0.02 0.00 0.00 41.12 41.51 3hqj n ASP 107 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3hqj s VAL 108 N -1.59 5.17 -0.09 2.53 1.01 -0.69 -4.53 120.40 122.22 3hqj s VAL 108 Ca 0.37 0.95 -0.18 0.00 0.00 0.00 0.00 61.98 63.12 3hqj s VAL 108 Cb 0.22 -3.81 -0.05 0.00 0.00 0.00 0.00 36.38 32.74 3hqj s VAL 108 CO 0.31 0.34 0.48 -0.89 0.00 0.00 0.00 175.10 175.34 3hqj s THR 109 N 0.50 5.13 -0.16 3.92 2.01 0.26 -4.92 115.64 122.39 3hqj s THR 109 Ca 0.26 0.98 -0.03 0.00 0.31 0.00 0.00 61.69 63.21 3hqj s THR 109 Cb -0.15 -3.82 -0.02 0.00 0.01 0.00 0.00 72.50 68.52 3hqj s THR 109 CO 0.11 0.37 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.72 3hqj s ILE 110 N 0.30 3.62 -0.12 1.82 1.01 -1.26 -1.24 121.20 125.34 3hqj s ILE 110 Ca 0.26 -0.45 -0.00 0.00 0.00 0.00 0.00 60.65 60.47 3hqj s ILE 110 Cb -0.16 -2.58 -0.02 0.00 0.01 0.00 0.00 42.46 39.71 3hqj s ILE 110 CO 0.12 0.49 -0.11 -1.00 0.00 0.00 0.00 174.94 174.43 3hqj s HIS 111 N 0.55 2.84 0.11 3.97 3.76 0.06 -4.72 115.29 121.85 3hqj s HIS 111 Ca -0.04 -0.46 0.02 0.00 -0.15 0.00 0.00 55.06 54.43 3hqj s HIS 111 Cb -0.15 -1.82 -0.04 0.00 1.11 0.00 0.00 32.58 31.68 3hqj s HIS 111 CO 0.03 -0.08 -0.07 0.14 -0.85 0.00 0.00 174.74 173.90 3hqj s VAL 112 N 0.10 0.82 -0.07 -0.90 -7.23 -1.26 -0.63 120.40 111.23 3hqj s VAL 112 Ca -0.05 -1.97 -0.12 0.00 -1.81 0.00 0.00 61.98 58.03 3hqj s VAL 112 Cb -0.14 -1.74 0.03 0.00 0.56 0.00 0.00 36.38 35.08 3hqj s VAL 112 CO 0.04 -0.83 0.31 -0.55 -0.31 0.00 0.00 175.10 173.76 3hqj s SER 113 N -3.08 -0.26 0.13 4.85 0.15 -0.56 -4.95 113.70 109.98 3hqj s SER 113 Ca 0.13 0.39 0.09 0.00 0.70 0.00 0.00 55.95 57.26 3hqj s SER 113 Cb 0.05 0.50 -0.04 0.00 -1.71 0.00 0.00 66.02 64.82 3hqj s SER 113 CO -0.03 -0.25 -0.21 -0.76 1.20 0.00 0.00 173.24 173.19 3hqj s LEU 114 N -0.48 2.35 -0.01 3.45 1.02 -1.26 -1.75 118.68 122.00 3hqj s LEU 114 Ca -0.06 -0.76 -0.17 0.00 0.02 0.00 0.00 54.13 53.17 3hqj s LEU 114 Cb -0.04 -0.92 0.03 0.00 0.02 0.00 0.00 46.19 45.28 3hqj s LEU 114 CO 0.02 0.05 0.35 0.28 0.02 0.00 0.00 176.35 177.07 3hqj s THR 115 N -1.45 0.05 -0.10 5.49 -1.32 -0.31 -5.00 115.64 113.01 3hqj s THR 115 Ca 0.11 -0.44 -0.04 0.00 -1.21 0.00 0.00 61.69 60.11 3hqj s THR 115 Cb -0.09 -0.70 0.05 0.00 -1.51 0.00 0.00 72.50 70.25 3hqj s THR 115 CO 0.05 -0.24 0.21 -1.38 -2.21 0.00 0.00 174.62 171.05 3hqj s HIS 116 N -1.49 -0.28 -0.04 9.09 -3.43 -1.26 -0.33 115.29 117.55 3hqj s HIS 116 Ca -0.12 0.72 -0.02 0.00 -0.80 0.00 0.00 55.06 54.84 3hqj s HIS 116 Cb -0.04 -0.08 0.03 0.00 -1.43 0.00 0.00 32.58 31.06 3hqj s HIS 116 CO 0.04 -0.26 0.06 -2.00 -2.00 0.00 0.00 174.74 170.58 3hqj s GLU 117 N 1.79 -0.04 7.56 -0.38 2.56 -0.03 -4.99 118.70 125.17 3hqj s GLU 117 Ca -0.04 0.36 0.00 0.00 0.00 0.00 0.00 54.97 55.30 3hqj s GLU 117 Cb -0.11 -0.54 0.00 0.00 2.00 0.00 0.00 34.13 35.48 3hqj s GLU 117 CO -0.07 -0.33 0.00 0.41 -0.56 0.00 0.00 175.26 174.71 3hqj n GLY 118 N 5.28 3.69 0.30 -1.50 0.00 -1.26 -2.05 105.19 109.65 3hqj n GLY 118 Ca -0.03 -0.05 0.07 0.00 0.00 0.00 0.00 46.02 46.01 3hqj n GLY 118 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hqj n ASP 119 N 5.43 0.90 -4.02 1.61 5.68 -1.26 -4.86 116.55 120.04 3hqj n ASP 119 Ca 0.00 -1.74 -0.25 0.00 -0.50 0.00 0.00 54.79 52.30 3hqj n ASP 119 Cb 0.00 -0.08 -0.17 0.00 -1.14 0.00 0.00 41.12 39.73 3hqj n ASP 119 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3hqj s THR 120 N -1.84 1.16 0.13 2.12 2.01 -0.87 -0.54 115.64 117.82 3hqj s THR 120 Ca 0.23 -0.48 0.04 0.00 0.31 0.00 0.00 61.69 61.79 3hqj s THR 120 Cb 0.12 -1.07 -0.04 0.00 0.01 0.00 0.00 72.50 71.52 3hqj s THR 120 CO 0.18 0.36 0.12 0.00 -0.69 0.00 0.00 174.62 174.59 3hqj s ALA 121 N 0.77 3.58 0.12 7.40 0.00 0.11 -0.85 121.76 132.89 3hqj s ALA 121 Ca -0.12 -1.13 -0.06 0.00 0.00 0.00 0.00 51.96 50.65 3hqj s ALA 121 Cb -0.15 -1.40 -0.02 0.00 0.00 0.00 0.00 23.12 21.54 3hqj s ALA 121 CO 0.02 0.61 0.16 0.00 0.00 0.00 0.00 175.76 176.55 3hqj s ALA 122 N -1.60 0.19 0.04 0.00 0.00 0.55 -1.07 121.76 119.87 3hqj s ALA 122 Ca 0.30 -0.98 -0.16 0.00 0.00 0.00 0.00 51.96 51.12 3hqj s ALA 122 Cb -0.11 0.67 0.03 0.00 0.00 0.00 0.00 23.12 23.71 3hqj s ALA 122 CO 0.23 -0.53 0.36 0.00 0.00 0.00 0.00 175.76 175.82 3hqj s ALA 123 N -3.95 -0.87 0.05 0.00 0.00 -0.84 -1.16 121.76 114.99 3hqj s ALA 123 Ca 0.14 0.20 0.05 0.00 0.00 0.00 0.00 51.96 52.35 3hqj s ALA 123 Cb 0.05 0.30 -0.02 0.00 0.00 0.00 0.00 23.12 23.45 3hqj s ALA 123 CO -0.04 -0.42 -0.14 0.54 0.00 0.00 0.00 175.76 175.70 3hqj s VAL 124 N -2.37 1.12 0.01 0.00 0.11 -0.72 -1.93 120.40 116.61 3hqj s VAL 124 Ca -0.06 -1.07 0.02 0.00 -2.93 0.00 0.00 61.98 57.94 3hqj s VAL 124 Cb -0.01 -1.03 -0.01 0.00 -1.53 0.00 0.00 36.38 33.80 3hqj s VAL 124 CO -0.02 -0.04 -0.06 0.00 -3.33 0.00 0.00 175.10 171.65 3hqj s ALA 125 N -0.94 0.44 -0.08 1.54 0.00 -0.46 -1.49 121.76 120.77 3hqj s ALA 125 Ca 0.01 -0.41 0.01 0.00 0.00 0.00 0.00 51.96 51.57 3hqj s ALA 125 Cb -0.08 -0.04 0.02 0.00 0.00 0.00 0.00 23.12 23.02 3hqj s ALA 125 CO 0.01 0.05 -0.10 0.42 0.00 0.00 0.00 175.76 176.14 3hqj s ILE 126 N -0.61 1.03 -0.14 0.00 1.01 0.20 -1.09 121.20 121.60 3hqj s ILE 126 Ca -0.03 -0.38 -0.07 0.00 0.00 0.00 0.00 60.65 60.18 3hqj s ILE 126 Cb -0.05 -0.98 -0.04 0.00 0.01 0.00 0.00 42.46 41.39 3hqj s ILE 126 CO -0.00 0.34 0.10 -0.76 0.00 0.00 0.00 174.94 174.62 3hqj s LEU 127 N 1.03 4.10 -0.03 2.97 1.02 -0.47 -0.76 118.68 126.54 3hqj s LEU 127 Ca -0.08 0.29 0.01 0.00 0.02 0.00 0.00 54.13 54.38 3hqj s LEU 127 Cb -0.15 -2.01 0.02 0.00 0.02 0.00 0.00 46.19 44.07 3hqj s LEU 127 CO -0.01 0.32 -0.04 -0.70 0.02 0.00 0.00 176.35 175.95 3hqj s GLU 128 N -0.49 0.61 0.00 1.70 2.12 -0.37 0.00 118.70 122.27 3hqj s GLU 128 Ca 0.11 -0.09 0.00 0.00 0.36 0.00 0.00 54.97 55.35 3hqj s GLU 128 Cb -0.12 -0.65 0.00 0.00 0.26 0.00 0.00 34.13 33.63 3hqj s GLU 128 CO 0.02 -0.04 0.00 0.00 -0.54 0.00 0.00 175.26 174.70 3hqj n ALA 129 N 3.77 0.00 0.53 6.30 0.00 -0.56 -0.57 120.51 129.98 3hqj n ALA 129 Ca -0.23 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.28 3hqj n ALA 129 Cb 0.52 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.03 3hqj n ALA 129 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20