#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hwu s LYS 2 N 0.00 1.41 -0.28 2.12 -0.14 0.14 -2.18 119.74 120.82 1hwu s LYS 2 Ca 0.00 -0.93 -0.14 0.00 -1.36 0.00 0.00 55.97 53.54 1hwu s LYS 2 Cb 0.00 -1.52 -0.04 0.00 -1.68 0.00 0.00 37.83 34.59 1hwu s LYS 2 CO 0.00 0.39 0.32 -1.14 -0.76 0.00 0.00 175.35 174.16 1hwu s GLN 3 N -1.14 3.96 -0.17 1.68 0.74 0.90 0.22 119.66 125.85 1hwu s GLN 3 Ca 0.08 -0.10 -0.08 0.00 0.05 0.00 0.00 55.36 55.30 1hwu s GLN 3 Cb -0.09 -3.67 -0.04 0.00 1.10 0.00 0.00 33.01 30.31 1hwu s GLN 3 CO 0.02 -0.27 0.11 0.08 -0.55 0.00 0.00 175.29 174.68 1hwu s VAL 4 N 1.97 5.27 -0.07 1.34 1.01 0.14 -1.21 120.40 128.86 1hwu s VAL 4 Ca 0.12 0.13 0.03 0.00 0.00 0.00 0.00 61.98 62.27 1hwu s VAL 4 Cb -0.16 -3.36 0.00 0.00 0.00 0.00 0.00 36.38 32.87 1hwu s VAL 4 CO 0.10 0.50 -0.17 -0.89 0.00 0.00 0.00 175.10 174.65 1hwu s THR 5 N -0.10 1.47 0.04 3.92 2.01 0.41 -1.67 115.64 121.73 1hwu s THR 5 Ca 0.09 -0.70 0.05 0.00 0.31 0.00 0.00 61.69 61.45 1hwu s THR 5 Cb -0.12 -1.29 -0.02 0.00 0.01 0.00 0.00 72.50 71.08 1hwu s THR 5 CO 0.00 0.43 -0.15 0.00 -0.69 0.00 0.00 174.62 174.21 1hwu s ALA 6 N 0.37 1.25 -0.19 7.40 0.00 -0.57 -0.42 121.76 129.60 1hwu s ALA 6 Ca -0.12 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 50.98 1hwu s ALA 6 Cb -0.15 -0.20 0.02 0.00 0.00 0.00 0.00 23.12 22.79 1hwu s ALA 6 CO 0.05 0.24 -0.18 0.42 0.00 0.00 0.00 175.76 176.29 1hwu s ILE 7 N -0.86 2.14 0.23 0.00 -1.09 -0.29 -0.74 121.20 120.58 1hwu s ILE 7 Ca 0.02 -1.00 0.01 0.00 -2.23 0.00 0.00 60.65 57.45 1hwu s ILE 7 Cb -0.08 -1.95 -0.05 0.00 -1.58 0.00 0.00 42.46 38.80 1hwu s ILE 7 CO 0.01 0.47 0.07 0.27 -1.23 0.00 0.00 174.94 174.53 1hwu s ILE 8 N 1.28 0.53 0.35 2.92 -4.36 0.01 -2.84 121.20 119.08 1hwu s ILE 8 Ca 0.03 -1.99 -0.27 0.00 -0.26 0.00 0.00 60.65 58.16 1hwu s ILE 8 Cb -0.14 -2.47 -0.09 0.00 1.25 0.00 0.00 42.46 41.01 1hwu s ILE 8 CO -0.12 -0.14 1.14 -0.54 0.24 0.00 0.00 174.94 175.52 1hwu s LYS 9 N -4.01 4.33 0.53 0.37 1.02 -1.26 -1.48 119.74 119.24 1hwu s LYS 9 Ca 0.34 1.82 0.19 0.00 0.02 0.00 0.00 55.97 58.33 1hwu s LYS 9 Cb 0.07 -2.89 1.37 0.00 -0.52 0.00 0.00 37.83 35.86 1hwu s LYS 9 CO 0.10 -0.07 2.16 -1.35 -0.92 0.00 0.00 175.35 175.27 1hwu h PRO 10 N 3.15 0.00 -0.02 -1.68 0.11 -1.88 -1.55 132.00 130.13 1hwu h PRO 10 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1hwu h PRO 10 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1hwu h PRO 10 CO 0.64 0.01 0.00 1.97 -0.21 0.00 0.00 178.00 180.42 1hwu n PHE 11 N -4.37 0.02 1.01 0.65 1.16 -1.26 -2.61 117.46 112.07 1hwu n PHE 11 Ca -0.03 -0.01 0.12 0.00 -1.87 0.00 0.00 57.45 55.66 1hwu n PHE 11 Cb 0.10 0.00 0.06 0.00 -1.61 0.00 0.00 39.48 38.03 1hwu n PHE 11 CO 0.00 0.00 0.00 1.63 -1.87 0.00 0.00 176.76 176.52 1hwu n LYS 12 N -0.61 1.71 -0.28 3.97 4.76 -0.58 -4.64 118.16 122.49 1hwu n LYS 12 Ca 0.20 -1.41 -0.00 0.00 -2.87 0.00 0.00 58.31 54.23 1hwu n LYS 12 Cb 0.16 -1.47 0.12 0.00 -1.84 0.00 0.00 35.03 32.00 1hwu n LYS 12 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1hwu h LEU 13 N 3.43 0.75 -0.50 -0.35 5.85 -1.63 0.16 115.31 123.02 1hwu h LEU 13 Ca 0.00 0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.66 1hwu h LEU 13 Cb 0.86 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.73 1hwu h LEU 13 CO 0.00 0.49 0.02 0.44 -0.34 0.00 0.00 178.44 179.05 1hwu h ASP 14 N 0.89 0.86 -0.45 1.25 3.32 -1.85 -0.43 116.42 120.01 1hwu h ASP 14 Ca 0.35 -0.30 -0.09 0.00 0.02 0.00 0.00 57.03 57.01 1hwu h ASP 14 Cb 0.16 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 1hwu h ASP 14 CO -0.17 0.94 -0.03 -0.08 -1.72 0.00 0.00 179.24 178.19 1hwu h GLU 15 N 0.74 0.88 -0.40 3.56 4.81 -1.74 0.25 114.58 122.68 1hwu h GLU 15 Ca 0.15 -0.26 -0.07 0.00 -0.13 0.00 0.00 59.36 59.04 1hwu h GLU 15 Cb 0.49 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 1hwu h GLU 15 CO 0.02 0.89 -0.04 0.28 -0.73 0.00 0.00 179.01 179.44 1hwu h VAL 16 N 0.81 1.27 -0.73 0.32 2.07 -0.44 -2.15 116.25 117.40 1hwu h VAL 16 Ca 0.15 -1.08 -0.06 0.00 0.82 0.00 0.00 66.70 66.52 1hwu h VAL 16 Cb 0.52 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 1hwu h VAL 16 CO 0.03 0.36 0.20 -0.09 0.02 0.00 0.00 177.57 178.09 1hwu h ARG 17 N 0.56 1.14 -0.57 1.57 2.43 -0.59 -1.68 114.38 117.24 1hwu h ARG 17 Ca 0.11 -0.26 0.02 0.00 -0.81 0.00 0.00 59.98 59.04 1hwu h ARG 17 Cb 0.53 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.89 1hwu h ARG 17 CO 0.03 0.99 0.36 1.49 -1.51 0.00 0.00 179.97 181.33 1hwu h GLU 18 N 1.09 0.71 -0.82 0.20 4.22 -0.87 -2.50 114.58 116.61 1hwu h GLU 18 Ca 0.23 -0.04 -0.00 0.00 0.08 0.00 0.00 59.36 59.63 1hwu h GLU 18 Cb 0.34 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.39 1hwu h GLU 18 CO -0.00 0.47 0.51 1.03 -2.18 0.00 0.00 179.01 178.84 1hwu h SER 19 N 0.73 0.97 -0.27 1.04 0.87 -1.13 -2.84 113.55 112.93 1hwu h SER 19 Ca 0.22 -0.04 -0.15 0.00 -1.23 0.00 0.00 61.79 60.58 1hwu h SER 19 Cb -0.03 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 61.68 1hwu h SER 19 CO -0.07 0.73 -0.42 -0.07 -0.53 0.00 0.00 176.83 176.46 1hwu h LEU 20 N 1.13 0.83 -0.92 2.23 4.07 -1.16 -3.00 115.31 118.49 1hwu h LEU 20 Ca 0.30 -0.52 0.08 0.00 0.08 0.00 0.00 57.88 57.82 1hwu h LEU 20 Cb -0.08 -0.24 -0.07 0.00 1.08 0.00 0.00 40.66 41.36 1hwu h LEU 20 CO -0.06 1.19 0.57 0.00 -1.08 0.00 0.00 178.44 179.06 1hwu h ALA 21 N 0.66 1.30 -0.02 1.53 0.00 -1.23 -0.65 119.26 120.86 1hwu h ALA 21 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1hwu h ALA 21 Cb 1.02 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 1hwu h ALA 21 CO 0.10 0.27 0.01 0.93 0.00 0.00 0.00 179.25 180.56 1hwu h GLU 22 N 0.99 0.00 -0.58 0.00 5.08 -1.36 0.78 114.58 119.49 1hwu h GLU 22 Ca 0.42 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.78 1hwu h GLU 22 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1hwu h GLU 22 CO -0.21 0.00 0.00 1.33 -1.00 0.00 0.00 179.01 179.13 1hwu n VAL 23 N -4.18 2.02 -0.75 3.13 0.24 -0.82 -4.97 118.33 113.00 1hwu n VAL 23 Ca -0.03 -1.30 0.00 0.00 -2.04 0.00 0.00 64.34 60.97 1hwu n VAL 23 Cb 0.10 0.03 0.00 0.00 -1.47 0.00 0.00 33.84 32.50 1hwu n VAL 23 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1hwu n GLY 24 N 0.82 0.75 3.54 7.63 0.00 0.27 -4.98 105.19 113.22 1hwu n GLY 24 Ca 0.25 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.87 1hwu n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hwu s VAL 25 N -2.77 5.21 0.00 1.61 1.01 -0.31 -4.94 120.40 120.21 1hwu s VAL 25 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 61.97 1hwu s VAL 25 Cb 0.00 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.61 1hwu s VAL 25 CO 0.00 -0.04 0.00 0.35 0.00 0.00 0.00 175.10 175.41 1hwu n THR 26 N 5.18 0.00 -2.90 3.92 -2.24 -1.26 -2.69 114.28 114.29 1hwu n THR 26 Ca -0.10 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.24 1hwu n THR 26 Cb 0.50 0.13 -0.02 0.00 -2.10 0.00 0.00 70.33 68.84 1hwu n THR 26 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1hwu s GLY 27 N -1.80 2.02 0.18 3.38 0.00 -1.26 -5.01 107.32 104.83 1hwu s GLY 27 Ca 0.00 -2.91 -0.12 0.00 0.00 0.00 0.00 44.72 41.70 1hwu s GLY 27 CO 0.00 2.08 0.54 1.08 0.00 0.00 0.00 173.10 176.79 1hwu s LEU 28 N 2.54 4.25 -0.17 0.66 1.02 -1.26 -4.73 118.68 120.99 1hwu s LEU 28 Ca 0.37 0.97 -0.02 0.00 0.02 0.00 0.00 54.13 55.48 1hwu s LEU 28 Cb -0.04 -3.46 -0.01 0.00 0.02 0.00 0.00 46.19 42.71 1hwu s LEU 28 CO -0.06 0.02 -0.10 -0.89 0.02 0.00 0.00 176.35 175.33 1hwu s THR 29 N -1.64 3.08 -0.15 5.49 2.01 -0.36 -4.96 115.64 119.10 1hwu s THR 29 Ca 0.42 -0.62 -0.00 0.00 0.31 0.00 0.00 61.69 61.80 1hwu s THR 29 Cb -0.13 -2.34 -0.01 0.00 0.01 0.00 0.00 72.50 70.03 1hwu s THR 29 CO 0.20 0.48 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.79 1hwu s VAL 30 N 0.93 2.89 -0.06 3.82 1.01 -1.26 0.93 120.40 128.67 1hwu s VAL 30 Ca -0.02 -0.70 0.04 0.00 0.00 0.00 0.00 61.98 61.30 1hwu s VAL 30 Cb -0.15 -2.23 -0.00 0.00 0.00 0.00 0.00 36.38 34.00 1hwu s VAL 30 CO -0.00 0.51 -0.18 -0.89 0.00 0.00 0.00 175.10 174.53 1hwu s THR 31 N 0.72 1.55 -0.19 3.92 2.01 -0.09 -5.01 115.64 118.56 1hwu s THR 31 Ca -0.06 -0.76 -0.27 0.00 0.31 0.00 0.00 61.69 60.91 1hwu s THR 31 Cb -0.15 -1.34 -0.01 0.00 0.01 0.00 0.00 72.50 71.01 1hwu s THR 31 CO 0.02 0.44 0.92 -1.61 -0.69 0.00 0.00 174.62 173.70 1hwu s GLU 32 N 0.17 4.29 0.41 4.92 0.41 -1.26 -1.22 118.70 126.42 1hwu s GLU 32 Ca -0.08 1.16 0.05 0.00 -0.41 0.00 0.00 54.97 55.69 1hwu s GLU 32 Cb -0.14 -3.60 -0.02 0.00 -1.78 0.00 0.00 34.13 28.60 1hwu s GLU 32 CO 0.04 -0.44 0.16 0.14 -0.49 0.00 0.00 175.26 174.67 1hwu s VAL 33 N 2.52 0.45 0.04 2.63 -7.23 -0.85 -4.94 120.40 113.02 1hwu s VAL 33 Ca 0.41 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.61 1hwu s VAL 33 Cb -0.16 -2.32 -0.02 0.00 0.56 0.00 0.00 36.38 34.44 1hwu s VAL 33 CO 0.11 0.00 -0.09 -0.54 -0.31 0.00 0.00 175.10 174.27 1hwu s LYS 34 N -3.63 0.58 0.28 4.82 1.02 -1.26 -1.47 119.74 120.08 1hwu s LYS 34 Ca 0.25 -0.74 0.00 0.00 0.02 0.00 0.00 55.97 55.50 1hwu s LYS 34 Cb 0.02 -0.42 -0.00 0.00 -0.52 0.00 0.00 37.83 36.91 1hwu s LYS 34 CO 0.17 0.08 0.02 0.41 -0.92 0.00 0.00 175.35 175.11 1hwu n GLY 35 N 1.58 3.79 3.40 -3.33 0.00 0.10 -4.91 105.19 105.81 1hwu n GLY 35 Ca -0.21 -2.25 -0.34 0.00 0.00 0.00 0.00 46.02 43.21 1hwu n GLY 35 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1hwu s PHE 36 N -2.12 2.97 0.23 1.61 0.08 -1.26 -1.14 117.98 118.34 1hwu s PHE 36 Ca 0.02 -0.62 -0.31 0.00 0.12 0.00 0.00 56.93 56.15 1hwu s PHE 36 Cb 0.00 -2.03 -0.11 0.00 -0.57 0.00 0.00 43.02 40.31 1hwu s PHE 36 CO 0.02 -0.30 1.64 0.99 -0.10 0.00 0.00 175.22 177.47 1hwu s THR 43 N 0.94 2.19 0.16 0.64 2.01 -1.26 -4.68 115.64 115.64 1hwu s THR 43 Ca -0.00 0.15 0.07 0.00 0.31 0.00 0.00 61.69 62.22 1hwu s THR 43 Cb -0.15 -3.09 -0.04 0.00 0.01 0.00 0.00 72.50 69.23 1hwu s THR 43 CO 0.01 0.02 -0.15 -0.70 -0.69 0.00 0.00 174.62 173.11 1hwu s GLU 44 N 0.60 1.20 -0.06 4.92 2.12 0.48 -4.94 118.70 123.02 1hwu s GLU 44 Ca 0.70 -1.42 -0.10 0.00 0.36 0.00 0.00 54.97 54.50 1hwu s GLU 44 Cb -0.48 -1.06 -0.05 0.00 0.26 0.00 0.00 34.13 32.81 1hwu s GLU 44 CO 0.37 0.19 0.26 -0.51 -0.54 0.00 0.00 175.26 175.03 1hwu s LEU 45 N -2.88 4.42 -0.15 2.70 1.43 -1.26 -0.03 118.68 122.91 1hwu s LEU 45 Ca 0.16 0.68 -0.04 0.00 -1.03 0.00 0.00 54.13 53.90 1hwu s LEU 45 Cb -0.03 -2.34 0.06 0.00 0.03 0.00 0.00 46.19 43.92 1hwu s LEU 45 CO 0.05 0.36 0.14 -0.47 0.23 0.00 0.00 176.35 176.66 1hwu s TYR 46 N -1.08 -0.03 -1.51 0.29 5.04 0.18 -4.82 117.35 115.42 1hwu s TYR 46 Ca 0.20 0.07 -0.13 0.00 -2.44 0.00 0.00 57.07 54.77 1hwu s TYR 46 Cb -0.14 -0.50 0.08 0.00 0.35 0.00 0.00 41.96 41.75 1hwu s TYR 46 CO 0.09 -0.46 0.97 0.54 -1.34 0.00 0.00 175.55 175.34 1hwu n ARG 47 N 5.30 -5.53 -0.03 4.97 1.74 -1.26 -2.53 116.66 119.32 1hwu n ARG 47 Ca -0.06 0.60 0.00 0.00 -0.77 0.00 0.00 57.85 57.63 1hwu n ARG 47 Cb 0.49 -5.47 0.00 0.00 -1.02 0.00 0.00 32.46 26.46 1hwu n ARG 47 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1hwu n GLY 48 N -1.70 1.20 3.61 -0.13 0.00 -1.26 -5.05 105.19 101.86 1hwu n GLY 48 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 1hwu n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hwu s ALA 49 N -2.45 3.06 0.26 4.61 0.00 -1.05 -5.08 121.76 121.11 1hwu s ALA 49 Ca 0.00 -1.17 -0.27 0.00 0.00 0.00 0.00 51.96 50.53 1hwu s ALA 49 Cb 0.00 -1.02 -0.09 0.00 0.00 0.00 0.00 23.12 22.01 1hwu s ALA 49 CO 0.00 0.65 0.89 -1.21 0.00 0.00 0.00 175.76 176.10 1hwu s GLU 50 N -2.09 4.64 0.01 0.00 2.02 -1.26 -0.64 118.70 121.39 1hwu s GLU 50 Ca 0.22 1.31 0.02 0.00 0.02 0.00 0.00 54.97 56.53 1hwu s GLU 50 Cb -0.11 -3.05 -0.01 0.00 0.10 0.00 0.00 34.13 31.05 1hwu s GLU 50 CO 0.14 0.42 -0.05 0.71 0.02 0.00 0.00 175.26 176.50 1hwu s TYR 51 N -1.38 0.48 -0.19 1.61 1.51 0.95 -4.95 117.35 115.38 1hwu s TYR 51 Ca 0.44 -0.24 -0.16 0.00 -1.01 0.00 0.00 57.07 56.10 1hwu s TYR 51 Cb -0.22 -0.30 -0.04 0.00 -0.11 0.00 0.00 41.96 41.29 1hwu s TYR 51 CO 0.27 -0.04 0.40 0.08 -1.11 0.00 0.00 175.55 175.15 1hwu s VAL 52 N -0.60 5.20 0.28 0.71 1.01 -1.26 -0.39 120.40 125.36 1hwu s VAL 52 Ca -0.03 0.72 -0.02 0.00 0.00 0.00 0.00 61.98 62.65 1hwu s VAL 52 Cb -0.05 -3.73 -0.02 0.00 0.00 0.00 0.00 36.38 32.58 1hwu s VAL 52 CO -0.00 0.27 0.34 0.68 0.00 0.00 0.00 175.10 176.38 1hwu s VAL 53 N 1.19 0.00 -0.28 2.92 -7.23 -1.26 -4.99 120.40 110.75 1hwu s VAL 53 Ca 0.20 -1.76 0.15 0.00 -1.81 0.00 0.00 61.98 58.75 1hwu s VAL 53 Cb -0.15 -2.49 0.48 0.00 0.56 0.00 0.00 36.38 34.78 1hwu s VAL 53 CO 0.08 0.00 1.14 -0.90 -0.31 0.00 0.00 175.10 175.10 1hwu n ASP 54 N -0.93 3.11 -4.74 4.85 5.75 -1.26 -4.77 116.55 118.56 1hwu n ASP 54 Ca 0.02 -2.85 -0.36 0.00 -0.01 0.00 0.00 54.79 51.60 1hwu n ASP 54 Cb 0.63 -0.42 0.06 0.00 -1.03 0.00 0.00 41.12 40.36 1hwu n ASP 54 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 1hwu s PHE 55 N -3.68 2.20 -0.05 2.11 0.08 -1.26 -4.59 117.98 112.80 1hwu s PHE 55 Ca 0.38 1.54 0.06 0.00 0.12 0.00 0.00 56.93 59.03 1hwu s PHE 55 Cb 0.37 -3.52 -0.01 0.00 -0.57 0.00 0.00 43.02 39.28 1hwu s PHE 55 CO -0.01 -2.52 -0.24 -0.51 -0.10 0.00 0.00 175.22 171.84 1hwu s LEU 56 N -4.55 2.04 0.31 -0.37 1.43 -0.29 -4.95 118.68 112.31 1hwu s LEU 56 Ca 0.77 -0.47 -0.27 0.00 -1.03 0.00 0.00 54.13 53.13 1hwu s LEU 56 Cb -0.31 -1.29 -0.09 0.00 0.03 0.00 0.00 46.19 44.52 1hwu s LEU 56 CO 0.39 0.25 1.02 -2.16 0.23 0.00 0.00 176.35 176.07 1hwu s PRO 57 N -0.24 4.54 0.32 1.29 0.04 -1.26 -0.72 135.00 138.97 1hwu s PRO 57 Ca -0.01 1.55 0.04 0.00 0.04 0.00 0.00 61.00 62.62 1hwu s PRO 57 Cb -0.12 -2.94 -0.04 0.00 0.04 0.00 0.00 34.50 31.44 1hwu s PRO 57 CO 0.02 0.20 0.17 0.15 0.04 0.00 0.00 177.00 177.58 1hwu s LYS 58 N -1.82 1.64 -0.05 4.56 -0.14 -0.54 -4.49 119.74 118.90 1hwu s LYS 58 Ca 0.49 -1.95 0.03 0.00 -1.36 0.00 0.00 55.97 53.19 1hwu s LYS 58 Cb -0.25 -0.10 0.00 0.00 -1.68 0.00 0.00 37.83 35.81 1hwu s LYS 58 CO 0.31 -0.47 -0.14 0.08 -0.76 0.00 0.00 175.35 174.36 1hwu s VAL 59 N -3.56 1.24 -0.16 3.17 1.01 -0.55 -2.01 120.40 119.55 1hwu s VAL 59 Ca 0.35 -0.59 -0.11 0.00 0.00 0.00 0.00 61.98 61.63 1hwu s VAL 59 Cb 0.04 -1.09 -0.05 0.00 0.00 0.00 0.00 36.38 35.28 1hwu s VAL 59 CO 0.18 0.37 0.21 -0.75 0.00 0.00 0.00 175.10 175.11 1hwu s LYS 60 N 0.27 4.06 -0.14 2.72 2.20 -0.35 -0.81 119.74 127.67 1hwu s LYS 60 Ca -0.07 -0.05 -0.02 0.00 -0.36 0.00 0.00 55.97 55.47 1hwu s LYS 60 Cb -0.12 -3.37 -0.02 0.00 -1.51 0.00 0.00 37.83 32.81 1hwu s LYS 60 CO 0.03 0.39 -0.08 0.42 -0.36 0.00 0.00 175.35 175.75 1hwu s ILE 61 N 0.04 3.47 -0.02 5.43 1.01 0.08 -0.91 121.20 130.30 1hwu s ILE 61 Ca 0.13 -0.51 0.05 0.00 0.00 0.00 0.00 60.65 60.33 1hwu s ILE 61 Cb -0.12 -2.50 -0.01 0.00 0.01 0.00 0.00 42.46 39.84 1hwu s ILE 61 CO 0.02 0.51 -0.18 -1.61 0.00 0.00 0.00 174.94 173.68 1hwu s GLU 62 N 0.38 1.54 -0.00 2.79 2.02 0.27 -1.51 118.70 124.19 1hwu s GLU 62 Ca -0.07 -0.63 0.01 0.00 0.02 0.00 0.00 54.97 54.30 1hwu s GLU 62 Cb -0.15 -1.45 -0.00 0.00 0.10 0.00 0.00 34.13 32.63 1hwu s GLU 62 CO 0.04 0.35 -0.03 0.14 0.02 0.00 0.00 175.26 175.78 1hwu s VAL 63 N -0.30 0.27 -0.25 2.63 -7.23 -0.67 -1.23 120.40 113.62 1hwu s VAL 63 Ca 0.04 -0.14 -0.06 0.00 -1.81 0.00 0.00 61.98 60.02 1hwu s VAL 63 Cb -0.08 -0.23 -0.01 0.00 0.56 0.00 0.00 36.38 36.62 1hwu s VAL 63 CO 0.00 0.08 0.03 -0.69 -0.31 0.00 0.00 175.10 174.21 1hwu s VAL 64 N -0.03 3.85 0.33 1.32 1.01 -1.26 0.25 120.40 125.86 1hwu s VAL 64 Ca 0.01 -0.47 0.03 0.00 0.00 0.00 0.00 61.98 61.54 1hwu s VAL 64 Cb -0.02 -2.85 -0.05 0.00 0.00 0.00 0.00 36.38 33.46 1hwu s VAL 64 CO -0.00 0.28 0.10 0.68 0.00 0.00 0.00 175.10 176.15 1hwu s VAL 65 N 1.52 0.78 0.42 2.92 -7.23 0.13 -4.93 120.40 114.01 1hwu s VAL 65 Ca 0.05 -2.00 -0.25 0.00 -1.81 0.00 0.00 61.98 57.97 1hwu s VAL 65 Cb -0.16 -2.61 -0.08 0.00 0.56 0.00 0.00 36.38 34.10 1hwu s VAL 65 CO 0.01 0.00 1.20 -0.62 -0.31 0.00 0.00 175.10 175.38 1hwu s ASP 66 N -3.46 6.38 0.43 4.85 -1.08 -1.26 0.26 116.67 122.78 1hwu s ASP 66 Ca 0.33 2.42 0.19 0.00 -0.52 0.00 0.00 52.55 54.98 1hwu s ASP 66 Cb 0.06 -2.62 1.13 0.00 -1.46 0.00 0.00 42.92 40.04 1hwu s ASP 66 CO 0.15 -0.78 1.84 0.44 0.52 0.00 0.00 175.17 177.34 1hwu h ASP 67 N 2.51 0.37 0.38 -0.34 3.32 -1.93 -0.45 116.42 120.29 1hwu h ASP 67 Ca -0.49 0.05 -0.07 0.00 0.02 0.00 0.00 57.03 56.53 1hwu h ASP 67 Cb 1.24 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.76 1hwu h ASP 67 CO 0.62 0.13 -0.35 0.11 -1.72 0.00 0.00 179.24 178.03 1hwu h LYS 68 N 0.36 0.00 0.00 3.56 6.56 -2.03 -3.09 116.57 121.94 1hwu h LYS 68 Ca 0.49 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 60.08 1hwu h LYS 68 Cb 1.31 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.97 1hwu h LYS 68 CO -0.18 0.35 -0.38 0.28 -2.06 0.00 0.00 179.45 177.47 1hwu n VAL 69 N -4.06 0.17 -0.08 0.50 0.31 -0.18 -4.57 118.33 110.42 1hwu n VAL 69 Ca -0.02 -0.11 -0.09 0.00 -0.01 0.00 0.00 64.34 64.11 1hwu n VAL 69 Cb 0.40 -0.11 -0.01 0.00 -0.91 0.00 0.00 33.84 33.20 1hwu n VAL 69 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1hwu h VAL 70 N 0.00 1.05 -0.23 2.52 2.07 -1.54 -1.20 116.25 118.92 1hwu h VAL 70 Ca 0.00 -0.13 -0.13 0.00 0.82 0.00 0.00 66.70 67.26 1hwu h VAL 70 Cb 0.60 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 1hwu h VAL 70 CO 0.00 0.07 -0.40 -0.33 0.02 0.00 0.00 177.57 176.93 1hwu h GLU 71 N 0.38 0.55 0.00 1.57 4.39 -1.82 0.29 114.58 119.94 1hwu h GLU 71 Ca 0.11 -0.28 -0.14 0.00 0.34 0.00 0.00 59.36 59.40 1hwu h GLU 71 Cb -0.02 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.61 1hwu h GLU 71 CO -0.04 0.86 -0.66 -0.56 -1.16 0.00 0.00 179.01 177.45 1hwu h GLN 72 N 0.45 0.00 -0.38 2.33 3.07 -1.84 -1.56 115.11 117.19 1hwu h GLN 72 Ca 0.04 0.00 -0.12 0.00 0.09 0.00 0.00 58.65 58.66 1hwu h GLN 72 Cb 0.90 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.45 1hwu h GLN 72 CO 0.08 0.66 -0.22 0.00 0.09 0.00 0.00 178.83 179.43 1hwu h ALA 73 N 1.34 0.54 -0.31 0.06 0.00 -0.25 -1.69 119.26 118.96 1hwu h ALA 73 Ca -0.01 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 1hwu h ALA 73 Cb 1.29 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1hwu h ALA 73 CO 0.09 0.52 0.11 0.28 0.00 0.00 0.00 179.25 180.24 1hwu h VAL 74 N 0.63 1.19 -0.33 0.00 2.07 -0.33 -0.92 116.25 118.56 1hwu h VAL 74 Ca 0.08 -0.60 0.03 0.00 0.82 0.00 0.00 66.70 67.04 1hwu h VAL 74 Cb 0.78 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 31.53 1hwu h VAL 74 CO 0.06 0.20 0.13 -0.78 0.02 0.00 0.00 177.57 177.21 1hwu h ASP 75 N 0.34 0.16 -0.99 0.57 3.58 -1.27 -0.81 116.42 118.01 1hwu h ASP 75 Ca 0.10 0.03 0.04 0.00 0.42 0.00 0.00 57.03 57.62 1hwu h ASP 75 Cb 0.21 0.01 -0.06 0.00 1.72 0.00 0.00 39.33 41.21 1hwu h ASP 75 CO -0.01 0.13 0.65 0.00 -2.88 0.00 0.00 179.24 177.13 1hwu h ALA 76 N 1.20 1.36 -0.20 -0.78 0.00 -0.93 -2.11 119.26 117.79 1hwu h ALA 76 Ca 0.15 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 1hwu h ALA 76 Cb 0.10 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.54 1hwu h ALA 76 CO -0.14 0.55 -0.40 0.82 0.00 0.00 0.00 179.25 180.08 1hwu h ILE 77 N 1.25 1.33 0.15 0.00 2.04 0.15 -2.85 117.51 119.58 1hwu h ILE 77 Ca 0.39 -1.63 0.01 0.00 1.00 0.00 0.00 64.86 64.64 1hwu h ILE 77 Cb 0.00 1.86 -0.03 0.00 -0.74 0.00 0.00 36.82 37.91 1hwu h ILE 77 CO -0.12 0.51 -0.26 0.40 0.00 0.00 0.00 178.15 178.67 1hwu h ILE 78 N 0.31 0.42 -0.81 -0.67 2.04 -1.09 0.57 117.51 118.28 1hwu h ILE 78 Ca 0.01 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.88 1hwu h ILE 78 Cb 1.00 0.42 -0.04 0.00 -0.74 0.00 0.00 36.82 37.47 1hwu h ILE 78 CO 0.09 0.00 0.54 0.11 0.00 0.00 0.00 178.15 178.89 1hwu h LYS 79 N -0.49 1.03 0.06 2.37 1.57 -1.39 -2.28 116.57 117.43 1hwu h LYS 79 Ca 0.02 -0.06 -0.25 0.00 -1.87 0.00 0.00 60.65 58.49 1hwu h LYS 79 Cb 0.50 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 1hwu h LYS 79 CO -0.13 0.68 -1.17 0.00 -0.57 0.00 0.00 179.45 178.26 1hwu h ALA 80 N 1.51 0.27 0.00 3.86 0.00 -1.14 -3.36 119.26 120.39 1hwu h ALA 80 Ca 0.31 -0.94 -0.01 0.00 0.00 0.00 0.00 54.91 54.26 1hwu h ALA 80 Cb -0.07 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1hwu h ALA 80 CO -0.08 1.15 -0.86 0.00 0.00 0.00 0.00 179.25 179.47 1hwu h ALA 81 N 0.80 0.59 -2.50 0.00 0.00 0.28 -3.42 119.26 115.01 1hwu h ALA 81 Ca -0.09 -0.07 -0.53 0.00 0.00 0.00 0.00 54.91 54.22 1hwu h ALA 81 Cb 1.88 0.02 0.02 0.00 0.00 0.00 0.00 17.79 19.71 1hwu h ALA 81 CO 0.16 0.08 0.84 0.50 0.00 0.00 0.00 179.25 180.83 1hwu s ARG 82 N -3.30 4.26 -0.02 0.00 3.52 -0.87 -4.85 118.95 117.68 1hwu s ARG 82 Ca 0.01 2.18 0.18 0.00 -0.13 0.00 0.00 55.73 57.96 1hwu s ARG 82 Cb 0.09 -3.37 -0.25 0.00 -1.56 0.00 0.00 34.95 29.86 1hwu s ARG 82 CO 0.77 -0.57 0.48 0.25 -0.81 0.00 0.00 175.30 175.42 1hwu n THR 83 N 4.27 0.00 -0.31 4.11 -2.24 -1.26 -4.99 114.28 113.86 1hwu n THR 83 Ca 0.13 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 1hwu n THR 83 Cb 0.41 0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.98 1hwu n THR 83 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hwu n GLY 84 N 1.47 0.67 3.96 3.38 0.00 -1.26 -5.06 105.19 108.35 1hwu n GLY 84 Ca -0.02 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.82 1hwu n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hwu s LYS 85 N -0.69 2.83 0.30 1.61 -0.14 -1.26 -5.08 119.74 117.31 1hwu s LYS 85 Ca 0.00 -1.25 -0.29 0.00 -1.36 0.00 0.00 55.97 53.07 1hwu s LYS 85 Cb 0.00 -2.66 -0.10 0.00 -1.68 0.00 0.00 37.83 33.39 1hwu s LYS 85 CO 0.00 -0.13 1.16 0.42 -0.76 0.00 0.00 175.35 176.04 1hwu s ILE 86 N -2.33 3.25 0.00 2.17 1.01 -1.26 -3.25 121.20 120.80 1hwu s ILE 86 Ca 0.49 1.25 0.00 0.00 0.00 0.00 0.00 60.65 62.39 1hwu s ILE 86 Cb -0.08 -3.79 0.00 0.00 0.01 0.00 0.00 42.46 38.61 1hwu s ILE 86 CO 0.31 0.28 0.00 0.61 0.00 0.00 0.00 174.94 176.14 1hwu n GLY 87 N 1.03 0.82 0.26 6.18 0.00 -1.26 -4.96 105.19 107.26 1hwu n GLY 87 Ca -0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.11 1hwu n GLY 87 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1hwu h ASP 88 N 0.00 0.00 0.00 1.61 5.19 -1.93 -3.42 116.42 117.87 1hwu h ASP 88 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1hwu h ASP 88 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1hwu h ASP 88 CO 0.00 0.08 0.00 0.61 -3.12 0.00 0.00 179.24 176.81 1hwu n GLY 89 N -1.19 -0.28 3.45 2.75 0.00 -1.26 -4.22 105.19 104.44 1hwu n GLY 89 Ca -0.03 -2.16 -0.16 0.00 0.00 0.00 0.00 46.02 43.68 1hwu n GLY 89 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hwu s LYS 90 N 0.00 1.01 -0.03 1.61 -2.85 -1.13 -5.00 119.74 113.35 1hwu s LYS 90 Ca 0.00 0.06 0.07 0.00 -1.00 0.00 0.00 55.97 55.10 1hwu s LYS 90 Cb 0.00 0.47 -0.02 0.00 -2.06 0.00 0.00 37.83 36.22 1hwu s LYS 90 CO 0.00 -0.33 -0.23 0.42 0.10 0.00 0.00 175.35 175.31 1hwu s ILE 91 N -1.59 2.33 0.02 3.79 1.01 -1.26 -1.14 121.20 124.36 1hwu s ILE 91 Ca -0.10 -1.00 -0.02 0.00 0.00 0.00 0.00 60.65 59.53 1hwu s ILE 91 Cb -0.01 -1.84 -0.01 0.00 0.01 0.00 0.00 42.46 40.61 1hwu s ILE 91 CO 0.06 0.58 0.02 0.72 0.00 0.00 0.00 174.94 176.32 1hwu s PHE 92 N -0.63 0.20 -0.11 3.97 -0.71 0.44 -4.97 117.98 116.16 1hwu s PHE 92 Ca 0.10 -0.41 0.00 0.00 -1.04 0.00 0.00 56.93 55.58 1hwu s PHE 92 Cb -0.10 -0.15 -0.02 0.00 -1.21 0.00 0.00 43.02 41.54 1hwu s PHE 92 CO -0.00 -0.22 -0.10 0.08 -1.34 0.00 0.00 175.22 173.63 1hwu s VAL 93 N -1.44 3.36 0.06 -2.49 1.01 -1.26 -0.44 120.40 119.20 1hwu s VAL 93 Ca -0.16 -0.57 0.04 0.00 0.00 0.00 0.00 61.98 61.29 1hwu s VAL 93 Cb -0.09 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.86 1hwu s VAL 93 CO -0.00 0.55 -0.11 -1.10 0.00 0.00 0.00 175.10 174.43 1hwu s GLN 94 N -0.09 0.69 0.48 2.72 -0.21 -0.35 -4.98 119.66 117.93 1hwu s GLN 94 Ca -0.01 -0.89 -0.21 0.00 0.02 0.00 0.00 55.36 54.27 1hwu s GLN 94 Cb -0.14 -0.57 -0.07 0.00 1.00 0.00 0.00 33.01 33.23 1hwu s GLN 94 CO 0.03 0.12 1.11 -1.21 -2.12 0.00 0.00 175.29 173.22 1hwu s GLU 95 N -1.75 3.70 -0.27 2.91 0.41 -1.26 -0.07 118.70 122.36 1hwu s GLU 95 Ca -0.05 1.60 0.00 0.00 -0.41 0.00 0.00 54.97 56.12 1hwu s GLU 95 Cb -0.09 -2.24 0.05 0.00 -1.78 0.00 0.00 34.13 30.06 1hwu s GLU 95 CO 0.01 -0.56 -0.06 0.08 -0.49 0.00 0.00 175.26 174.25 1hwu s VAL 96 N -1.72 2.62 0.42 2.63 1.01 -0.93 -4.70 120.40 119.73 1hwu s VAL 96 Ca 0.66 -1.43 0.09 0.00 0.00 0.00 0.00 61.98 61.31 1hwu s VAL 96 Cb -0.24 -2.48 0.23 0.00 0.00 0.00 0.00 36.38 33.89 1hwu s VAL 96 CO 0.28 -0.02 2.02 -0.33 0.00 0.00 0.00 175.10 177.06 1hwu h GLU 97 N 7.91 0.36 -1.90 2.72 5.08 -1.96 -3.41 114.58 123.37 1hwu h GLU 97 Ca -0.23 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1hwu h GLU 97 Cb 1.06 -0.07 -0.22 0.00 0.50 0.00 0.00 28.75 30.02 1hwu h GLU 97 CO 0.51 0.31 0.19 -1.14 -1.00 0.00 0.00 179.01 177.89 1hwu s GLN 98 N -5.18 0.73 -0.12 2.33 2.00 -1.26 -5.05 119.66 113.12 1hwu s GLN 98 Ca -0.07 0.94 0.02 0.00 -2.00 0.00 0.00 55.36 54.25 1hwu s GLN 98 Cb 0.17 0.33 0.01 0.00 0.80 0.00 0.00 33.01 34.31 1hwu s GLN 98 CO 0.72 -0.10 -0.19 0.08 -0.50 0.00 0.00 175.29 175.31 1hwu s VAL 99 N 0.56 1.77 -0.07 1.34 1.01 -1.26 -5.13 120.40 118.61 1hwu s VAL 99 Ca -0.01 -0.81 0.05 0.00 0.00 0.00 0.00 61.98 61.21 1hwu s VAL 99 Cb -0.05 -1.58 -0.01 0.00 0.00 0.00 0.00 36.38 34.74 1hwu s VAL 99 CO -0.04 0.49 -0.23 -0.63 0.00 0.00 0.00 175.10 174.69 1hwu s ILE 100 N 0.84 2.20 -0.11 2.22 1.09 -1.26 -4.13 121.20 122.05 1hwu s ILE 100 Ca -0.08 -1.00 -0.21 0.00 -1.10 0.00 0.00 60.65 58.26 1hwu s ILE 100 Cb -0.15 -1.82 -0.04 0.00 -1.06 0.00 0.00 42.46 39.39 1hwu s ILE 100 CO -0.00 0.57 0.60 -0.60 -0.10 0.00 0.00 174.94 175.40 1hwu s ARG 101 N -0.07 4.36 -0.00 2.79 3.52 0.40 -4.99 118.95 124.95 1hwu s ARG 101 Ca -0.06 0.66 -0.25 0.00 -0.13 0.00 0.00 55.73 55.95 1hwu s ARG 101 Cb -0.14 -3.46 -0.18 0.00 -1.56 0.00 0.00 34.95 29.60 1hwu s ARG 101 CO 0.05 0.06 1.30 0.82 -0.81 0.00 0.00 175.30 176.71 1hwu h ILE 102 N 4.81 1.14 -0.80 4.11 2.04 -1.96 -0.71 117.51 126.13 1hwu h ILE 102 Ca -0.39 -0.85 0.19 0.00 1.00 0.00 0.00 64.86 64.80 1hwu h ILE 102 Cb 1.18 1.68 -0.12 0.00 -0.74 0.00 0.00 36.82 38.82 1hwu h ILE 102 CO 0.76 0.21 0.23 -0.09 0.00 0.00 0.00 178.15 179.26 1hwu h ARG 103 N -0.51 0.28 0.00 2.37 2.43 -1.98 -3.33 114.38 113.64 1hwu h ARG 103 Ca -0.01 -0.02 -0.35 0.00 -0.81 0.00 0.00 59.98 58.79 1hwu h ARG 103 Cb 0.43 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.86 1hwu h ARG 103 CO 0.02 0.18 -2.16 0.25 -1.51 0.00 0.00 179.97 176.76 1hwu n THR 104 N -5.15 1.26 0.00 0.20 -2.24 -1.25 -5.02 114.28 102.08 1hwu n THR 104 Ca 0.17 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 1hwu n THR 104 Cb 0.54 -1.84 0.00 0.00 -2.10 0.00 0.00 70.33 66.93 1hwu n THR 104 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hwu n GLY 105 N 1.60 0.88 3.72 3.38 0.00 -0.27 -5.06 105.19 109.43 1hwu n GLY 105 Ca -0.42 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.21 1hwu n GLY 105 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1hwu n GLU 106 N -1.03 1.63 0.00 1.61 1.02 -1.25 -4.71 120.64 117.90 1hwu n GLU 106 Ca 0.00 0.60 0.00 0.00 -0.02 0.00 0.00 57.16 57.74 1hwu n GLU 106 Cb 0.00 -2.49 0.00 0.00 -0.02 0.00 0.00 31.44 28.93 1hwu n GLU 106 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56