#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 1.09 -0.25 0.03 -0.14 0.18 -1.03 119.74 119.62 1hwu s LYS 2 Ca 0.00 -1.14 -0.07 0.00 -1.36 0.00 0.00 55.97 53.40 1hwu s LYS 2 Cb 0.00 -1.32 -0.03 0.00 -1.68 0.00 0.00 37.83 34.80 1hwu s LYS 2 CO 0.00 0.31 0.07 -1.14 -0.76 0.00 0.00 175.35 173.83 1hwu s GLN 3 N -1.89 3.68 -0.27 1.68 0.74 0.47 -0.76 119.66 123.31 1hwu s GLN 3 Ca 0.05 -0.47 -0.10 0.00 0.05 0.00 0.00 55.36 54.90 1hwu s GLN 3 Cb -0.10 -3.33 -0.04 0.00 1.10 0.00 0.00 33.01 30.64 1hwu s GLN 3 CO 0.04 -0.17 0.15 0.08 -0.55 0.00 0.00 175.29 174.85 1hwu s VAL 4 N 1.56 5.05 -0.03 1.34 1.01 0.14 -1.75 120.40 127.73 1hwu s VAL 4 Ca 0.06 0.08 0.03 0.00 0.00 0.00 0.00 61.98 62.15 1hwu s VAL 4 Cb -0.15 -3.39 -0.03 0.00 0.00 0.00 0.00 36.38 32.81 1hwu s VAL 4 CO 0.04 0.29 -0.09 -0.89 0.00 0.00 0.00 175.10 174.44 1hwu s THR 5 N 1.63 3.47 -0.03 3.92 2.01 0.36 -1.83 115.64 125.18 1hwu s THR 5 Ca 0.07 -0.70 0.01 0.00 0.31 0.00 0.00 61.69 61.38 1hwu s THR 5 Cb -0.15 -2.45 0.01 0.00 0.01 0.00 0.00 72.50 69.92 1hwu s THR 5 CO 0.08 0.50 -0.05 0.00 -0.69 0.00 0.00 174.62 174.46 1hwu s ALA 6 N -0.88 0.57 -0.25 7.40 0.00 -0.39 -0.26 121.76 127.94 1hwu s ALA 6 Ca 0.14 -0.11 -0.05 0.00 0.00 0.00 0.00 51.96 51.94 1hwu s ALA 6 Cb -0.11 -0.29 0.00 0.00 0.00 0.00 0.00 23.12 22.72 1hwu s ALA 6 CO 0.04 0.04 0.01 0.42 0.00 0.00 0.00 175.76 176.27 1hwu s ILE 7 N 0.48 3.61 0.27 0.00 -1.09 -0.23 -0.12 121.20 124.13 1hwu s ILE 7 Ca -0.06 -0.61 0.02 0.00 -2.23 0.00 0.00 60.65 57.77 1hwu s ILE 7 Cb -0.10 -2.76 -0.05 0.00 -1.58 0.00 0.00 42.46 37.98 1hwu s ILE 7 CO -0.00 0.26 0.12 0.27 -1.23 0.00 0.00 174.94 174.35 1hwu s ILE 8 N 1.48 0.47 0.23 2.92 -4.36 -0.48 -2.77 121.20 118.69 1hwu s ILE 8 Ca 0.04 -2.00 -0.30 0.00 -0.26 0.00 0.00 60.65 58.13 1hwu s ILE 8 Cb -0.16 -2.59 -0.09 0.00 1.25 0.00 0.00 42.46 40.87 1hwu s ILE 8 CO -0.01 0.00 1.02 -0.54 0.24 0.00 0.00 174.94 175.65 1hwu s LYS 9 N -3.97 4.73 0.39 0.37 1.02 -1.26 -1.60 119.74 119.41 1hwu s LYS 9 Ca 0.37 1.62 0.16 0.00 0.02 0.00 0.00 55.97 58.14 1hwu s LYS 9 Cb 0.07 -3.26 1.04 0.00 -0.52 0.00 0.00 37.83 35.15 1hwu s LYS 9 CO 0.15 0.32 1.80 -1.35 -0.92 0.00 0.00 175.35 175.35 1hwu h PRO 10 N 4.34 0.45 0.00 -1.68 0.11 -1.89 -1.95 132.00 131.37 1hwu h PRO 10 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1hwu h PRO 10 Cb 1.21 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1hwu h PRO 10 CO 0.69 0.30 0.00 0.27 -0.21 0.00 0.00 178.00 179.04 1hwu h PHE 11 N 0.46 0.00 -0.01 0.65 -5.15 -1.98 -2.40 116.94 108.51 1hwu h PHE 11 Ca 0.55 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.32 1hwu h PHE 11 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.47 1hwu h PHE 11 CO -0.00 0.00 -0.02 1.63 -2.00 0.00 0.00 178.31 177.92 1hwu n LYS 12 N -2.31 1.25 0.02 6.09 4.76 -0.73 -4.32 118.16 122.91 1hwu n LYS 12 Ca 0.02 -0.48 -0.10 0.00 -2.87 0.00 0.00 58.31 54.89 1hwu n LYS 12 Cb 0.26 -1.49 -0.04 0.00 -1.84 0.00 0.00 35.03 31.92 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 1.16 -0.39 -0.88 -0.35 6.46 -1.57 0.11 115.31 119.86 1hwu h LEU 13 Ca 0.00 0.07 0.08 0.00 -0.12 0.00 0.00 57.88 57.91 1hwu h LEU 13 Cb 0.29 0.18 -0.07 0.00 -0.73 0.00 0.00 40.66 40.32 1hwu h LEU 13 CO 0.00 -0.17 0.53 0.44 -0.62 0.00 0.00 178.44 178.62 1hwu h ASP 14 N -0.18 0.80 0.24 1.25 3.32 -1.82 0.38 116.42 120.40 1hwu h ASP 14 Ca 0.07 0.03 -0.20 0.00 0.02 0.00 0.00 57.03 56.95 1hwu h ASP 14 Cb 0.28 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.70 1hwu h ASP 14 CO -0.18 0.48 -0.79 -0.33 -1.72 0.00 0.00 179.24 176.70 1hwu h GLU 15 N 0.92 0.45 -0.31 3.56 5.08 -1.69 -1.75 114.58 120.84 1hwu h GLU 15 Ca 0.41 -0.40 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1hwu h GLU 15 Cb 0.29 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 1hwu h GLU 15 CO -0.22 1.04 0.12 0.28 -1.00 0.00 0.00 179.01 179.24 1hwu h VAL 16 N 0.29 1.18 -0.15 3.13 2.07 -0.40 0.11 116.25 122.48 1hwu h VAL 16 Ca -0.05 -0.55 -0.08 0.00 0.82 0.00 0.00 66.70 66.84 1hwu h VAL 16 Cb 1.39 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 32.12 1hwu h VAL 16 CO 0.14 0.19 -0.28 -0.09 0.02 0.00 0.00 177.57 177.55 1hwu h ARG 17 N 0.35 0.28 -0.31 1.57 2.43 -0.69 -0.59 114.38 117.41 1hwu h ARG 17 Ca 0.10 -0.10 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 1hwu h ARG 17 Cb 0.18 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 1hwu h ARG 17 CO -0.01 0.55 -0.00 1.49 -1.51 0.00 0.00 179.97 180.48 1hwu h GLU 18 N 0.25 0.56 -0.25 0.20 4.57 -0.81 -1.96 114.58 117.14 1hwu h GLU 18 Ca 0.04 -0.18 -0.10 0.00 -1.18 0.00 0.00 59.36 57.94 1hwu h GLU 18 Cb 0.63 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.16 1hwu h GLU 18 CO 0.05 0.70 -0.28 1.03 -1.18 0.00 0.00 179.01 179.32 1hwu h SER 19 N 0.35 0.49 -0.43 1.04 0.87 -0.46 -1.50 113.55 113.92 1hwu h SER 19 Ca 0.09 -0.18 -0.00 0.00 -1.23 0.00 0.00 61.79 60.47 1hwu h SER 19 Cb 0.45 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.25 1hwu h SER 19 CO 0.02 0.76 0.26 -0.07 -0.53 0.00 0.00 176.83 177.27 1hwu h LEU 20 N 0.43 0.52 -1.76 2.23 -0.00 -0.93 -2.62 115.31 113.17 1hwu h LEU 20 Ca 0.06 -0.05 0.03 0.00 -0.00 0.00 0.00 57.88 57.92 1hwu h LEU 20 Cb 0.71 -0.13 -0.02 0.00 -0.00 0.00 0.00 40.66 41.23 1hwu h LEU 20 CO 0.05 0.41 0.22 0.00 -0.00 0.00 0.00 178.44 179.13 1hwu h ALA 21 N 1.12 1.92 0.00 1.53 0.00 -0.69 0.17 119.26 123.31 1hwu h ALA 21 Ca 0.16 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1hwu h ALA 21 Cb -0.01 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1hwu h ALA 21 CO -0.03 0.03 -0.05 1.49 0.00 0.00 0.00 179.25 180.70 1hwu h GLU 22 N 0.31 0.00 -0.60 0.00 4.57 -0.91 -1.80 114.58 116.16 1hwu h GLU 22 Ca 0.14 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.32 1hwu h GLU 22 Cb 0.16 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.75 1hwu h GLU 22 CO -0.03 0.05 0.00 1.33 -1.18 0.00 0.00 179.01 179.18 1hwu n VAL 23 N -3.14 1.88 -1.01 0.32 0.24 -0.67 -4.94 118.33 111.01 1hwu n VAL 23 Ca 0.01 -1.25 -0.00 0.00 -2.04 0.00 0.00 64.34 61.06 1hwu n VAL 23 Cb 0.39 0.10 -0.00 0.00 -1.47 0.00 0.00 33.84 32.86 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 0.95 0.45 3.51 7.63 0.00 -0.67 -5.00 105.19 112.05 1hwu n GLY 24 Ca 0.25 -0.75 -0.40 0.00 0.00 0.00 0.00 46.02 45.12 1hwu n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hwu s VAL 25 N -2.01 5.14 0.00 1.61 0.11 0.50 -4.95 120.40 120.79 1hwu s VAL 25 Ca 0.00 -0.29 0.00 0.00 -2.93 0.00 0.00 61.98 58.76 1hwu s VAL 25 Cb 0.00 -3.65 0.00 0.00 -1.53 0.00 0.00 36.38 31.20 1hwu s VAL 25 CO 0.00 -0.01 0.00 0.35 -3.33 0.00 0.00 175.10 172.11 1hwu n THR 26 N 5.08 0.00 -2.63 5.04 -2.24 -1.26 -3.31 114.28 114.96 1hwu n THR 26 Ca -0.13 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.61 1hwu n THR 26 Cb 0.49 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.74 1hwu n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hwu n GLY 27 N 3.45 0.66 3.84 3.38 0.00 -1.26 -4.92 105.19 110.35 1hwu n GLY 27 Ca 0.00 -0.54 -0.32 0.00 0.00 0.00 0.00 46.02 45.16 1hwu n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1hwu s LEU 28 N -1.98 3.66 -0.05 0.99 1.02 -1.26 -4.71 118.68 116.35 1hwu s LEU 28 Ca 0.09 1.54 0.06 0.00 0.02 0.00 0.00 54.13 55.84 1hwu s LEU 28 Cb -0.04 -4.47 -0.02 0.00 0.02 0.00 0.00 46.19 41.68 1hwu s LEU 28 CO 0.11 -0.56 -0.23 -0.89 0.02 0.00 0.00 176.35 174.80 1hwu s THR 29 N -2.58 2.24 -0.04 5.49 2.01 -0.48 -4.97 115.64 117.31 1hwu s THR 29 Ca 0.58 -1.01 0.04 0.00 0.31 0.00 0.00 61.69 61.62 1hwu s THR 29 Cb -0.10 -1.82 -0.00 0.00 0.01 0.00 0.00 72.50 70.59 1hwu s THR 29 CO 0.30 0.57 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.95 1hwu s VAL 30 N -0.33 1.40 -0.02 3.82 1.01 -1.26 -1.18 120.40 123.84 1hwu s VAL 30 Ca 0.02 -0.70 0.04 0.00 0.00 0.00 0.00 61.98 61.33 1hwu s VAL 30 Cb -0.12 -1.21 -0.00 0.00 0.00 0.00 0.00 36.38 35.05 1hwu s VAL 30 CO 0.02 0.41 -0.12 -0.89 0.00 0.00 0.00 175.10 174.51 1hwu s THR 31 N 0.03 1.03 -0.15 3.92 2.01 -0.51 -4.98 115.64 116.99 1hwu s THR 31 Ca -0.03 -0.52 -0.26 0.00 0.31 0.00 0.00 61.69 61.18 1hwu s THR 31 Cb -0.11 -0.88 -0.01 0.00 0.01 0.00 0.00 72.50 71.50 1hwu s THR 31 CO 0.02 0.30 0.88 -1.61 -0.69 0.00 0.00 174.62 173.52 1hwu s GLU 32 N -0.04 4.33 0.33 4.92 2.02 -1.26 -0.14 118.70 128.85 1hwu s GLU 32 Ca 0.00 1.12 0.03 0.00 0.02 0.00 0.00 54.97 56.15 1hwu s GLU 32 Cb -0.08 -3.56 -0.06 0.00 0.10 0.00 0.00 34.13 30.53 1hwu s GLU 32 CO 0.00 -0.32 0.07 0.14 0.02 0.00 0.00 175.26 175.17 1hwu s VAL 33 N 2.11 1.05 -0.12 2.63 -7.23 -0.58 -4.93 120.40 113.32 1hwu s VAL 33 Ca 0.41 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.60 1hwu s VAL 33 Cb -0.17 -2.72 -0.00 0.00 0.56 0.00 0.00 36.38 34.05 1hwu s VAL 33 CO 0.14 0.00 -0.20 -0.54 -0.31 0.00 0.00 175.10 174.19 1hwu s LYS 34 N -3.89 3.14 -0.25 4.82 1.02 -1.26 -0.49 119.74 122.83 1hwu s LYS 34 Ca 0.35 -0.81 -0.11 0.00 0.02 0.00 0.00 55.97 55.42 1hwu s LYS 34 Cb 0.08 -2.45 -0.05 0.00 -0.52 0.00 0.00 37.83 34.89 1hwu s LYS 34 CO 0.15 0.12 0.18 0.20 -0.92 0.00 0.00 175.35 175.08 1hwu s GLY 35 N 0.52 1.98 -0.84 -3.33 0.00 -1.26 -4.94 107.32 99.45 1hwu s GLY 35 Ca -0.13 -0.91 0.01 0.00 0.00 0.00 0.00 44.72 43.69 1hwu s GLY 35 CO 0.05 0.47 1.59 0.69 0.00 0.00 0.00 173.10 175.89 1hwu n PHE 36 N 4.45 3.18 -2.30 1.90 3.01 -1.26 -5.01 117.46 121.44 1hwu n PHE 36 Ca -0.14 -2.92 -0.42 0.00 1.01 0.00 0.00 57.45 54.97 1hwu n PHE 36 Cb 0.52 -0.93 -0.03 0.00 -0.01 0.00 0.00 39.48 39.03 1hwu n PHE 36 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 1hwu s PRO 57 N -4.02 4.36 0.48 -1.08 0.04 -1.26 -5.32 135.00 128.19 1hwu s PRO 57 Ca 0.44 1.90 0.02 0.00 0.04 0.00 0.00 61.00 63.41 1hwu s PRO 57 Cb 0.27 -3.38 -0.01 0.00 0.04 0.00 0.00 34.50 31.42 1hwu s PRO 57 CO -0.19 -0.40 0.06 0.15 0.04 0.00 0.00 177.00 176.67 1hwu s LYS 58 N 1.46 2.11 -0.07 4.56 -0.14 0.35 -4.61 119.74 123.40 1hwu s LYS 58 Ca 0.62 -2.33 0.03 0.00 -1.36 0.00 0.00 55.97 52.92 1hwu s LYS 58 Cb -0.32 -1.10 0.01 0.00 -1.68 0.00 0.00 37.83 34.74 1hwu s LYS 58 CO 0.28 -0.45 -0.16 0.08 -0.76 0.00 0.00 175.35 174.35 1hwu s VAL 59 N -3.02 1.43 -0.08 3.17 1.01 -0.63 -1.53 120.40 120.75 1hwu s VAL 59 Ca 0.12 -0.65 -0.10 0.00 0.00 0.00 0.00 61.98 61.34 1hwu s VAL 59 Cb 0.01 -1.27 -0.05 0.00 0.00 0.00 0.00 36.38 35.08 1hwu s VAL 59 CO 0.07 0.42 0.24 -0.75 0.00 0.00 0.00 175.10 175.08 1hwu s LYS 60 N 0.54 3.64 -0.03 2.72 2.20 0.80 -1.39 119.74 128.21 1hwu s LYS 60 Ca -0.15 0.07 0.07 0.00 -0.36 0.00 0.00 55.97 55.59 1hwu s LYS 60 Cb -0.16 -3.21 -0.01 0.00 -1.51 0.00 0.00 37.83 32.93 1hwu s LYS 60 CO 0.05 0.73 -0.23 0.42 -0.36 0.00 0.00 175.35 175.96 1hwu s ILE 61 N -0.99 1.87 -0.04 5.43 1.01 0.83 -1.43 121.20 127.89 1hwu s ILE 61 Ca 0.18 -0.99 0.03 0.00 0.00 0.00 0.00 60.65 59.87 1hwu s ILE 61 Cb -0.14 -1.57 0.00 0.00 0.01 0.00 0.00 42.46 40.76 1hwu s ILE 61 CO 0.07 0.53 -0.13 -1.61 0.00 0.00 0.00 174.94 173.80 1hwu s GLU 62 N -0.35 1.37 -0.09 2.79 2.02 -0.33 -1.26 118.70 122.85 1hwu s GLU 62 Ca 0.03 -0.44 -0.05 0.00 0.02 0.00 0.00 54.97 54.53 1hwu s GLU 62 Cb -0.11 -1.22 0.04 0.00 0.10 0.00 0.00 34.13 32.94 1hwu s GLU 62 CO 0.01 0.16 0.22 0.54 0.02 0.00 0.00 175.26 176.21 1hwu s VAL 63 N 0.16 -0.03 -0.39 2.63 0.11 -0.76 -1.38 120.40 120.73 1hwu s VAL 63 Ca -0.04 0.12 -0.11 0.00 -2.93 0.00 0.00 61.98 59.02 1hwu s VAL 63 Cb -0.10 -0.33 0.04 0.00 -1.53 0.00 0.00 36.38 34.46 1hwu s VAL 63 CO 0.01 0.05 0.23 -0.69 -3.33 0.00 0.00 175.10 171.38 1hwu s VAL 64 N 0.99 4.53 0.35 2.04 1.01 -1.26 0.27 120.40 128.34 1hwu s VAL 64 Ca -0.07 -1.02 0.09 0.00 0.00 0.00 0.00 61.98 60.97 1hwu s VAL 64 Cb -0.09 -3.61 -0.05 0.00 0.00 0.00 0.00 36.38 32.63 1hwu s VAL 64 CO -0.06 -0.33 0.06 0.68 0.00 0.00 0.00 175.10 175.44 1hwu s VAL 65 N 1.53 2.63 0.41 2.92 -7.23 0.06 -4.91 120.40 115.80 1hwu s VAL 65 Ca 0.02 -1.89 -0.25 0.00 -1.81 0.00 0.00 61.98 58.06 1hwu s VAL 65 Cb -0.21 -2.87 -0.08 0.00 0.56 0.00 0.00 36.38 33.79 1hwu s VAL 65 CO 0.06 -0.16 1.20 -0.62 -0.31 0.00 0.00 175.10 175.26 1hwu s ASP 66 N -3.76 6.44 0.36 4.85 -1.08 -1.26 -0.65 116.67 121.57 1hwu s ASP 66 Ca 0.36 2.40 0.10 0.00 -0.52 0.00 0.00 52.55 54.90 1hwu s ASP 66 Cb 0.00 -2.62 0.86 0.00 -1.46 0.00 0.00 42.92 39.71 1hwu s ASP 66 CO 0.20 -0.74 1.87 0.44 0.52 0.00 0.00 175.17 177.46 1hwu h ASP 67 N 2.58 0.61 0.00 -0.34 3.32 -1.94 0.37 116.42 121.02 1hwu h ASP 67 Ca -0.49 0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.60 1hwu h ASP 67 Cb 1.24 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.71 1hwu h ASP 67 CO 0.62 0.30 0.07 0.50 -1.72 0.00 0.00 179.24 179.01 1hwu h LYS 68 N 0.64 0.00 -0.08 3.56 3.64 -2.03 -3.08 116.57 119.22 1hwu h LYS 68 Ca 0.45 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.83 1hwu h LYS 68 Cb 0.79 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.61 1hwu h LYS 68 CO -0.20 0.00 0.00 1.33 -2.27 0.00 0.00 179.45 178.31 1hwu n VAL 69 N -2.95 1.20 -0.09 2.00 0.24 0.12 -4.71 118.33 114.14 1hwu n VAL 69 Ca -0.03 -1.24 -0.01 0.00 -2.04 0.00 0.00 64.34 61.02 1hwu n VAL 69 Cb 0.13 0.35 0.25 0.00 -1.47 0.00 0.00 33.84 33.09 1hwu n VAL 69 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 1hwu h VAL 70 N 0.50 1.20 -0.14 3.34 2.07 -1.53 -1.32 116.25 120.37 1hwu h VAL 70 Ca 0.00 -0.69 -0.03 0.00 0.82 0.00 0.00 66.70 66.80 1hwu h VAL 70 Cb 0.67 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 31.11 1hwu h VAL 70 CO 0.01 0.26 -0.02 -0.33 0.02 0.00 0.00 177.57 177.51 1hwu h GLU 71 N 0.71 0.26 -0.24 1.57 3.07 -1.84 0.73 114.58 118.85 1hwu h GLU 71 Ca 0.17 -0.09 0.05 0.00 -0.50 0.00 0.00 59.36 58.98 1hwu h GLU 71 Cb 0.22 -0.02 -0.05 0.00 -0.84 0.00 0.00 28.75 28.07 1hwu h GLU 71 CO -0.01 0.53 -0.07 1.96 -1.40 0.00 0.00 179.01 180.03 1hwu h GLN 72 N -0.03 -0.01 -0.79 2.33 4.20 -1.87 -1.59 115.11 117.35 1hwu h GLN 72 Ca 0.04 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.70 1hwu h GLN 72 Cb 0.43 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.18 1hwu h GLN 72 CO 0.01 -0.01 0.31 0.00 -0.67 0.00 0.00 178.83 178.47 1hwu h ALA 73 N 1.23 1.02 -0.43 3.87 0.00 -1.05 -0.27 119.26 123.62 1hwu h ALA 73 Ca 0.12 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 1hwu h ALA 73 Cb 0.19 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1hwu h ALA 73 CO -0.26 0.65 -0.19 0.28 0.00 0.00 0.00 179.25 179.74 1hwu h VAL 74 N 1.15 1.27 -0.50 0.00 2.07 -0.54 -1.21 116.25 118.48 1hwu h VAL 74 Ca 0.26 -1.31 -0.09 0.00 0.82 0.00 0.00 66.70 66.39 1hwu h VAL 74 Cb 0.22 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 1hwu h VAL 74 CO -0.02 0.44 -0.02 -0.78 0.02 0.00 0.00 177.57 177.21 1hwu h ASP 75 N 0.74 0.89 -0.30 0.57 3.58 -1.14 0.12 116.42 120.89 1hwu h ASP 75 Ca 0.11 -0.32 -0.04 0.00 0.42 0.00 0.00 57.03 57.20 1hwu h ASP 75 Cb 0.71 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.50 1hwu h ASP 75 CO 0.05 1.00 0.07 0.00 -2.88 0.00 0.00 179.24 177.48 1hwu h ALA 76 N 0.93 1.41 0.01 -0.78 0.00 -0.70 0.85 119.26 120.97 1hwu h ALA 76 Ca 0.14 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1hwu h ALA 76 Cb 0.55 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1hwu h ALA 76 CO 0.03 0.43 -0.01 0.82 0.00 0.00 0.00 179.25 180.52 1hwu h ILE 77 N 0.56 1.28 -0.35 0.00 2.04 -0.59 -1.43 117.51 119.01 1hwu h ILE 77 Ca 0.13 -0.90 0.05 0.00 1.00 0.00 0.00 64.86 65.14 1hwu h ILE 77 Cb 0.25 1.89 -0.04 0.00 -0.74 0.00 0.00 36.82 38.18 1hwu h ILE 77 CO 0.00 0.23 0.09 0.40 0.00 0.00 0.00 178.15 178.87 1hwu h ILE 78 N -0.40 0.85 -0.52 -0.67 2.04 -0.37 0.21 117.51 118.65 1hwu h ILE 78 Ca -0.00 -0.08 0.10 0.00 1.00 0.00 0.00 64.86 65.89 1hwu h ILE 78 Cb 0.39 0.61 -0.10 0.00 -0.74 0.00 0.00 36.82 36.98 1hwu h ILE 78 CO 0.00 0.04 -0.15 0.11 0.00 0.00 0.00 178.15 178.16 1hwu h LYS 79 N 0.22 -0.02 0.11 2.37 1.57 0.93 -2.95 116.57 118.81 1hwu h LYS 79 Ca 0.16 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.67 1hwu h LYS 79 Cb 0.17 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 1hwu h LYS 79 CO -0.20 -0.01 -1.25 0.00 -0.57 0.00 0.00 179.45 177.42 1hwu h ALA 80 N 1.48 0.14 0.00 3.86 0.00 -0.87 -3.38 119.26 120.49 1hwu h ALA 80 Ca 0.25 -0.92 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1hwu h ALA 80 Cb 0.40 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1hwu h ALA 80 CO -0.54 1.02 -0.58 0.00 0.00 0.00 0.00 179.25 179.15 1hwu n ALA 81 N -2.53 3.31 -2.07 0.00 0.00 0.03 -4.74 120.51 114.51 1hwu n ALA 81 Ca -0.09 -0.32 -0.41 0.00 0.00 0.00 0.00 53.44 52.63 1hwu n ALA 81 Cb 1.02 -1.13 -0.03 0.00 0.00 0.00 0.00 19.45 19.31 1hwu n ALA 81 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1hwu s ARG 82 N -3.07 2.98 -0.14 0.00 3.52 -1.12 -4.75 118.95 116.36 1hwu s ARG 82 Ca 0.09 0.91 -0.20 0.00 -0.13 0.00 0.00 55.73 56.40 1hwu s ARG 82 Cb 0.16 -4.28 -0.24 0.00 -1.56 0.00 0.00 34.95 29.03 1hwu s ARG 82 CO 0.71 -2.30 0.48 1.79 -0.81 0.00 0.00 175.30 175.17 1hwu h THR 83 N 6.80 1.11 0.00 4.11 1.35 -1.92 -3.49 112.91 120.86 1hwu h THR 83 Ca -0.29 -2.32 0.00 0.00 -0.55 0.00 0.00 66.41 63.25 1hwu h THR 83 Cb 1.16 2.66 0.00 0.00 -1.73 0.00 0.00 68.15 70.24 1hwu h THR 83 CO 1.14 0.57 0.00 0.61 -0.25 0.00 0.00 175.52 177.59 1hwu n GLY 84 N 1.63 1.80 3.91 5.82 0.00 -1.26 -5.12 105.19 111.97 1hwu n GLY 84 Ca -0.25 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.50 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 0.00 2.84 0.28 1.61 1.02 -1.26 -5.02 119.74 119.22 1hwu s LYS 85 Ca 0.00 0.05 -0.30 0.00 0.02 0.00 0.00 55.97 55.74 1hwu s LYS 85 Cb 0.00 -2.22 -0.13 0.00 -0.52 0.00 0.00 37.83 34.96 1hwu s LYS 85 CO 0.00 -0.81 1.37 1.51 -0.92 0.00 0.00 175.35 176.51 1hwu n ILE 86 N -2.69 1.36 -0.33 2.17 0.13 -1.26 -3.56 119.36 115.18 1hwu n ILE 86 Ca 0.05 -0.34 0.00 0.00 -1.10 0.00 0.00 62.75 61.36 1hwu n ILE 86 Cb 0.58 -1.55 0.00 0.00 -0.84 0.00 0.00 39.64 37.83 1hwu n ILE 86 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1hwu n GLY 87 N 1.63 0.83 0.34 4.50 0.00 -1.26 -4.99 105.19 106.24 1hwu n GLY 87 Ca 0.09 -0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.28 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 -4.72 1.61 3.32 -1.91 -3.43 116.42 111.29 1hwu h ASP 88 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1hwu h ASP 88 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1hwu h ASP 88 CO 0.00 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.13 1hwu n GLY 89 N -1.20 -1.69 3.41 2.75 0.00 -1.26 -4.50 105.19 102.70 1hwu n GLY 89 Ca -0.02 -2.04 -0.20 0.00 0.00 0.00 0.00 46.02 43.77 1hwu n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hwu s LYS 90 N 0.00 1.58 0.02 1.61 -0.14 -1.11 -4.99 119.74 116.71 1hwu s LYS 90 Ca 0.00 -1.87 0.05 0.00 -1.36 0.00 0.00 55.97 52.78 1hwu s LYS 90 Cb 0.00 -0.68 -0.02 0.00 -1.68 0.00 0.00 37.83 35.45 1hwu s LYS 90 CO 0.00 -0.22 -0.15 0.42 -0.76 0.00 0.00 175.35 174.64 1hwu s ILE 91 N -3.43 1.19 0.06 2.17 1.01 -1.26 -1.06 121.20 119.87 1hwu s ILE 91 Ca 0.37 -0.84 0.03 0.00 0.00 0.00 0.00 60.65 60.20 1hwu s ILE 91 Cb 0.08 -1.03 -0.03 0.00 0.01 0.00 0.00 42.46 41.50 1hwu s ILE 91 CO 0.15 0.18 -0.09 -0.36 0.00 0.00 0.00 174.94 174.81 1hwu s PHE 92 N -0.61 0.86 -0.06 3.97 0.40 0.64 -4.96 117.98 118.21 1hwu s PHE 92 Ca 0.04 -0.55 0.02 0.00 -0.60 0.00 0.00 56.93 55.85 1hwu s PHE 92 Cb -0.07 -0.49 0.01 0.00 0.51 0.00 0.00 43.02 42.98 1hwu s PHE 92 CO 0.00 -0.05 -0.12 0.08 0.70 0.00 0.00 175.22 175.83 1hwu s VAL 93 N -1.69 1.14 0.02 -0.44 1.01 -1.26 -0.48 120.40 118.69 1hwu s VAL 93 Ca -0.04 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.45 1hwu s VAL 93 Cb -0.08 -1.03 -0.02 0.00 0.00 0.00 0.00 36.38 35.25 1hwu s VAL 93 CO 0.00 0.35 -0.03 -1.10 0.00 0.00 0.00 175.10 174.32 1hwu s GLN 94 N 0.60 0.33 0.50 2.72 -0.21 -0.71 -4.98 119.66 117.90 1hwu s GLN 94 Ca -0.13 -0.62 -0.21 0.00 0.02 0.00 0.00 55.36 54.42 1hwu s GLN 94 Cb -0.15 0.07 -0.07 0.00 1.00 0.00 0.00 33.01 33.87 1hwu s GLN 94 CO 0.04 -0.04 1.14 -1.21 -2.12 0.00 0.00 175.29 173.10 1hwu s GLU 95 N -1.45 3.56 -0.18 2.91 0.41 -1.26 -0.39 118.70 122.30 1hwu s GLU 95 Ca -0.15 1.68 0.01 0.00 -0.41 0.00 0.00 54.97 56.09 1hwu s GLU 95 Cb -0.10 -2.20 0.01 0.00 -1.78 0.00 0.00 34.13 30.07 1hwu s GLU 95 CO -0.01 -0.69 -0.18 0.08 -0.49 0.00 0.00 175.26 173.96 1hwu s VAL 96 N -1.67 2.24 0.12 2.63 1.01 -0.19 -4.74 120.40 119.79 1hwu s VAL 96 Ca 0.68 -0.89 -0.17 0.00 0.00 0.00 0.00 61.98 61.61 1hwu s VAL 96 Cb -0.26 -1.94 -0.02 0.00 0.00 0.00 0.00 36.38 34.16 1hwu s VAL 96 CO 0.30 0.53 1.66 -0.33 0.00 0.00 0.00 175.10 177.26 1hwu h GLU 97 N 7.80 0.54 -2.77 2.72 5.08 -1.97 -3.37 114.58 122.61 1hwu h GLU 97 Ca -0.42 -0.10 -0.11 0.00 -1.00 0.00 0.00 59.36 57.72 1hwu h GLU 97 Cb 1.15 -0.08 -0.22 0.00 0.50 0.00 0.00 28.75 30.10 1hwu h GLU 97 CO 0.62 0.53 -0.20 -1.14 -1.00 0.00 0.00 179.01 177.82 1hwu s GLN 98 N -5.51 0.64 -0.10 2.33 2.00 -1.26 -4.93 119.66 112.83 1hwu s GLN 98 Ca -0.13 0.20 0.02 0.00 -2.00 0.00 0.00 55.36 53.45 1hwu s GLN 98 Cb 0.09 0.29 0.01 0.00 0.80 0.00 0.00 33.01 34.21 1hwu s GLN 98 CO 0.74 -0.15 -0.14 0.08 -0.50 0.00 0.00 175.29 175.33 1hwu s VAL 99 N -0.63 1.40 -0.10 1.34 1.01 -1.26 -5.00 120.40 117.16 1hwu s VAL 99 Ca -0.07 -0.60 0.04 0.00 0.00 0.00 0.00 61.98 61.35 1hwu s VAL 99 Cb -0.04 -1.28 0.00 0.00 0.00 0.00 0.00 36.38 35.07 1hwu s VAL 99 CO 0.03 0.42 -0.23 -0.63 0.00 0.00 0.00 175.10 174.70 1hwu s ILE 100 N 0.89 1.95 -0.17 2.22 1.09 -1.26 -0.79 121.20 125.14 1hwu s ILE 100 Ca -0.09 -0.95 -0.24 0.00 -1.10 0.00 0.00 60.65 58.27 1hwu s ILE 100 Cb -0.15 -1.69 -0.02 0.00 -1.06 0.00 0.00 42.46 39.54 1hwu s ILE 100 CO 0.00 0.54 0.77 -0.60 -0.10 0.00 0.00 174.94 175.55 1hwu s ARG 101 N 0.40 4.28 0.20 2.79 3.52 -0.23 -4.99 118.95 124.93 1hwu s ARG 101 Ca -0.18 0.90 -0.10 0.00 -0.13 0.00 0.00 55.73 56.22 1hwu s ARG 101 Cb -0.18 -3.57 0.14 0.00 -1.56 0.00 0.00 34.95 29.78 1hwu s ARG 101 CO 0.08 -0.28 1.80 0.82 -0.81 0.00 0.00 175.30 176.91 1hwu h ILE 102 N 5.16 1.23 -0.72 4.11 2.04 -1.96 0.36 117.51 127.73 1hwu h ILE 102 Ca -0.31 -0.62 -0.07 0.00 1.00 0.00 0.00 64.86 64.86 1hwu h ILE 102 Cb 1.14 0.30 -0.03 0.00 -0.74 0.00 0.00 36.82 37.49 1hwu h ILE 102 CO 0.81 0.27 0.18 -0.09 0.00 0.00 0.00 178.15 179.32 1hwu h ARG 103 N 1.02 1.15 0.00 2.37 2.43 -1.97 -3.30 114.38 116.07 1hwu h ARG 103 Ca 0.25 -0.27 -0.03 0.00 -0.81 0.00 0.00 59.98 59.12 1hwu h ARG 103 Cb 0.08 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 1hwu h ARG 103 CO -0.04 1.01 -1.29 0.25 -1.51 0.00 0.00 179.97 178.39 1hwu n THR 104 N -4.23 0.10 -0.96 0.20 -2.24 -1.21 -5.01 114.28 100.93 1hwu n THR 104 Ca 0.05 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1hwu n THR 104 Cb 0.26 0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.50 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 2.32 0.79 3.56 3.38 0.00 0.13 -5.00 105.19 110.38 1hwu n GLY 105 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.39 0.62 -4.33 1.61 1.02 -1.25 -4.76 120.64 111.17 1hwu n GLU 106 Ca 0.00 0.26 -0.17 0.00 -0.02 0.00 0.00 57.16 57.22 1hwu n GLU 106 Cb 0.00 -2.05 -0.10 0.00 -0.02 0.00 0.00 31.44 29.27 1hwu n GLU 106 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 1hwu s THR 107 N -1.69 1.09 0.00 2.62 -1.32 -1.26 -1.07 115.64 114.01 1hwu s THR 107 Ca 0.73 -2.04 0.00 0.00 -1.21 0.00 0.00 61.69 59.16 1hwu s THR 107 Cb -0.39 -2.31 0.00 0.00 -1.51 0.00 0.00 72.50 68.29 1hwu s THR 107 CO 0.50 -0.36 0.00 0.61 -2.21 0.00 0.00 174.62 173.17 1hwu n GLY 108 N -0.41 1.17 0.39 6.08 0.00 0.03 -3.57 105.19 108.88 1hwu n GLY 108 Ca -0.05 -0.51 0.33 0.00 0.00 0.00 0.00 46.02 45.79 1hwu n GLY 108 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1hwu h PRO 109 N 0.00 0.08 -0.07 1.61 0.11 -1.99 0.63 132.00 132.37 1hwu h PRO 109 Ca 0.00 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1hwu h PRO 109 Cb 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.09 1hwu h PRO 109 CO 0.00 0.05 0.00 -0.40 -0.21 0.00 0.00 178.00 177.44 1hwu n ASP 110 N -4.98 0.64 0.08 -2.05 5.68 -1.23 -2.87 116.55 111.82 1hwu n ASP 110 Ca 0.37 -1.60 0.12 0.00 -0.50 0.00 0.00 54.79 53.17 1hwu n ASP 110 Cb 1.33 -0.05 0.02 0.00 -1.14 0.00 0.00 41.12 41.28 1hwu n ASP 110 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1hwu n ALA 111 N -0.33 2.70 0.00 2.12 0.00 0.22 -4.83 120.51 120.39 1hwu n ALA 111 Ca 0.13 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1hwu n ALA 111 Cb 0.16 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.52 1hwu n ALA 111 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83