#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 1.20 -0.22 0.03 -0.14 0.16 -0.64 119.74 120.12 1hwu s LYS 2 Ca 0.00 -1.22 -0.11 0.00 -1.36 0.00 0.00 55.97 53.27 1hwu s LYS 2 Cb 0.00 -1.50 -0.05 0.00 -1.68 0.00 0.00 37.83 34.60 1hwu s LYS 2 CO 0.00 0.35 0.20 -1.14 -0.76 0.00 0.00 175.35 173.99 1hwu s GLN 3 N -2.01 4.12 -0.21 1.68 0.74 0.14 -0.83 119.66 123.28 1hwu s GLN 3 Ca 0.09 -0.17 -0.07 0.00 0.05 0.00 0.00 55.36 55.25 1hwu s GLN 3 Cb -0.10 -3.51 -0.03 0.00 1.10 0.00 0.00 33.01 30.47 1hwu s GLN 3 CO 0.05 0.09 0.05 0.08 -0.55 0.00 0.00 175.29 175.02 1hwu s VAL 4 N 0.95 4.44 -0.08 1.34 1.01 0.72 -1.46 120.40 127.31 1hwu s VAL 4 Ca 0.10 -0.14 0.05 0.00 0.00 0.00 0.00 61.98 61.98 1hwu s VAL 4 Cb -0.13 -3.03 -0.00 0.00 0.00 0.00 0.00 36.38 33.21 1hwu s VAL 4 CO 0.04 0.40 -0.23 -0.89 0.00 0.00 0.00 175.10 174.42 1hwu s THR 5 N 1.01 1.96 -0.04 3.92 2.01 -0.52 -1.37 115.64 122.62 1hwu s THR 5 Ca 0.04 -0.98 0.03 0.00 0.31 0.00 0.00 61.69 61.08 1hwu s THR 5 Cb -0.14 -1.69 0.01 0.00 0.01 0.00 0.00 72.50 70.69 1hwu s THR 5 CO 0.03 0.54 -0.11 0.00 -0.69 0.00 0.00 174.62 174.39 1hwu s ALA 6 N 0.17 1.10 -0.45 7.40 0.00 -0.04 -1.18 121.76 128.76 1hwu s ALA 6 Ca -0.13 -0.41 -0.11 0.00 0.00 0.00 0.00 51.96 51.31 1hwu s ALA 6 Cb -0.16 -0.43 0.09 0.00 0.00 0.00 0.00 23.12 22.62 1hwu s ALA 6 CO 0.06 0.16 0.32 0.42 0.00 0.00 0.00 175.76 176.72 1hwu s ILE 7 N 0.31 4.47 0.50 0.00 -1.09 -0.53 -0.56 121.20 124.29 1hwu s ILE 7 Ca -0.06 -1.43 0.02 0.00 -2.23 0.00 0.00 60.65 56.95 1hwu s ILE 7 Cb -0.11 -3.77 -0.02 0.00 -1.58 0.00 0.00 42.46 36.97 1hwu s ILE 7 CO 0.02 -0.60 0.03 0.27 -1.23 0.00 0.00 174.94 173.43 1hwu s ILE 8 N 1.46 1.33 0.33 2.92 -4.36 0.79 -3.04 121.20 120.63 1hwu s ILE 8 Ca 0.04 -1.96 -0.27 0.00 -0.26 0.00 0.00 60.65 58.20 1hwu s ILE 8 Cb -0.24 -2.29 -0.09 0.00 1.25 0.00 0.00 42.46 41.09 1hwu s ILE 8 CO 0.02 0.00 1.01 -0.54 0.24 0.00 0.00 174.94 175.68 1hwu s LYS 9 N -3.88 4.49 0.26 0.37 1.02 -1.26 -1.14 119.74 119.60 1hwu s LYS 9 Ca 0.12 1.51 -0.01 0.00 0.02 0.00 0.00 55.97 57.62 1hwu s LYS 9 Cb 0.02 -2.86 0.54 0.00 -0.52 0.00 0.00 37.83 35.02 1hwu s LYS 9 CO 0.06 0.16 1.76 -1.35 -0.92 0.00 0.00 175.35 175.06 1hwu h PRO 10 N 3.21 0.62 0.00 -1.68 0.11 -1.90 -2.54 132.00 129.80 1hwu h PRO 10 Ca -0.47 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 1hwu h PRO 10 Cb 1.20 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 1hwu h PRO 10 CO 0.65 0.41 -0.07 0.27 -0.21 0.00 0.00 178.00 179.05 1hwu h PHE 11 N 0.63 0.00 0.00 0.65 -5.15 -1.98 -2.25 116.94 108.85 1hwu h PHE 11 Ca 0.47 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.24 1hwu h PHE 11 Cb 0.66 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.83 1hwu h PHE 11 CO -0.09 0.07 0.00 1.63 -2.00 0.00 0.00 178.31 177.92 1hwu n LYS 12 N -3.28 0.76 -0.07 6.09 4.76 -0.96 -4.49 118.16 120.97 1hwu n LYS 12 Ca -0.01 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.31 1hwu n LYS 12 Cb 0.27 -1.34 -0.06 0.00 -1.84 0.00 0.00 35.03 32.06 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 0.00 0.48 -0.50 -0.35 6.46 -1.56 -1.97 115.31 117.87 1hwu h LEU 13 Ca 0.00 -0.44 0.08 0.00 -0.12 0.00 0.00 57.88 57.40 1hwu h LEU 13 Cb 0.00 -0.13 -0.07 0.00 -0.73 0.00 0.00 40.66 39.73 1hwu h LEU 13 CO 0.00 0.82 0.13 0.44 -0.62 0.00 0.00 178.44 179.21 1hwu h ASP 14 N 0.15 0.06 -0.16 1.25 3.32 -1.84 -0.45 116.42 118.75 1hwu h ASP 14 Ca 0.04 0.08 0.01 0.00 0.02 0.00 0.00 57.03 57.18 1hwu h ASP 14 Cb 0.66 0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.29 1hwu h ASP 14 CO 0.04 0.06 0.07 -0.08 -1.72 0.00 0.00 179.24 177.61 1hwu h GLU 15 N 0.27 0.16 -0.74 3.56 4.81 -1.83 -0.85 114.58 119.96 1hwu h GLU 15 Ca 0.25 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.44 1hwu h GLU 15 Cb 0.31 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.62 1hwu h GLU 15 CO -0.30 0.11 0.33 0.28 -0.73 0.00 0.00 179.01 178.70 1hwu h VAL 16 N 0.17 1.25 -0.14 0.32 2.07 -0.49 0.01 116.25 119.42 1hwu h VAL 16 Ca 0.07 -0.72 0.03 0.00 0.82 0.00 0.00 66.70 66.90 1hwu h VAL 16 Cb 0.02 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.09 1hwu h VAL 16 CO -0.05 0.30 -0.06 -0.09 0.02 0.00 0.00 177.57 177.69 1hwu h ARG 17 N 1.05 -0.05 -0.60 1.57 9.65 -0.76 0.29 114.38 125.53 1hwu h ARG 17 Ca 0.25 0.00 -0.09 0.00 -1.10 0.00 0.00 59.98 59.04 1hwu h ARG 17 Cb 0.15 0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 28.72 1hwu h ARG 17 CO -0.03 -0.03 0.00 1.49 2.80 0.00 0.00 179.97 184.21 1hwu h GLU 18 N -0.05 1.06 -0.61 0.20 4.22 -1.04 -1.06 114.58 117.30 1hwu h GLU 18 Ca 0.08 -0.33 -0.05 0.00 0.08 0.00 0.00 59.36 59.13 1hwu h GLU 18 Cb 0.17 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 1hwu h GLU 18 CO -0.18 1.03 0.17 1.03 -2.18 0.00 0.00 179.01 178.88 1hwu h SER 19 N 0.95 0.90 -0.09 1.04 0.87 -0.90 -1.62 113.55 114.71 1hwu h SER 19 Ca 0.17 -0.22 -0.11 0.00 -1.23 0.00 0.00 61.79 60.40 1hwu h SER 19 Cb 0.55 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.26 1hwu h SER 19 CO 0.03 0.89 -0.28 -0.07 -0.53 0.00 0.00 176.83 176.87 1hwu h LEU 20 N 0.87 0.56 -1.20 2.23 -0.00 -0.80 -3.23 115.31 113.75 1hwu h LEU 20 Ca 0.19 -0.21 -0.05 0.00 -0.00 0.00 0.00 57.88 57.82 1hwu h LEU 20 Cb 0.32 -0.15 -0.02 0.00 -0.00 0.00 0.00 40.66 40.81 1hwu h LEU 20 CO -0.00 0.82 0.05 0.00 -0.00 0.00 0.00 178.44 179.31 1hwu h ALA 21 N 1.22 1.35 0.00 1.53 0.00 -0.55 -0.75 119.26 122.06 1hwu h ALA 21 Ca 0.06 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1hwu h ALA 21 Cb 0.74 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1hwu h ALA 21 CO 0.06 0.46 0.00 0.39 0.00 0.00 0.00 179.25 180.15 1hwu n GLU 22 N -4.29 0.10 -0.37 0.00 1.02 -0.67 0.08 120.64 116.51 1hwu n GLU 22 Ca 0.02 0.47 0.07 0.00 -0.02 0.00 0.00 57.16 57.70 1hwu n GLU 22 Cb 0.23 -1.75 0.20 0.00 -0.02 0.00 0.00 31.44 30.09 1hwu n GLU 22 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 1hwu n VAL 23 N -1.96 2.17 -1.25 2.62 0.24 -0.90 -4.98 118.33 114.28 1hwu n VAL 23 Ca 0.01 -2.28 -0.08 0.00 -2.04 0.00 0.00 64.34 59.94 1hwu n VAL 23 Cb 0.12 -0.26 -0.04 0.00 -1.47 0.00 0.00 33.84 32.19 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 -1.01 1.00 3.51 7.63 0.00 0.11 -4.99 105.19 111.44 1hwu n GLY 24 Ca 0.21 -0.38 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 1hwu n GLY 24 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1hwu s VAL 25 N -2.18 4.45 0.00 1.61 -7.23 -0.34 -4.96 120.40 111.75 1hwu s VAL 25 Ca 0.00 -0.14 0.00 0.00 -1.81 0.00 0.00 61.98 60.03 1hwu s VAL 25 Cb 0.00 -3.05 0.00 0.00 0.56 0.00 0.00 36.38 33.89 1hwu s VAL 25 CO 0.00 0.39 0.07 0.35 -0.31 0.00 0.00 175.10 175.59 1hwu n THR 26 N 4.37 0.00 -3.13 5.32 -2.24 -1.26 -3.09 114.28 114.25 1hwu n THR 26 Ca -0.16 -0.15 -0.45 0.00 -2.27 0.00 0.00 64.05 61.02 1hwu n THR 26 Cb 0.52 1.32 -0.01 0.00 -2.10 0.00 0.00 70.33 70.05 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 -0.17 2.62 0.14 3.38 0.00 -1.26 -5.01 107.32 107.03 1hwu s GLY 27 Ca 0.00 -3.39 -0.17 0.00 0.00 0.00 0.00 44.72 41.16 1hwu s GLY 27 CO 0.00 1.68 0.59 1.08 0.00 0.00 0.00 173.10 176.45 1hwu s LEU 28 N 0.66 4.39 -0.09 0.66 1.02 -1.26 -4.78 118.68 119.28 1hwu s LEU 28 Ca 0.33 1.20 -0.04 0.00 0.02 0.00 0.00 54.13 55.64 1hwu s LEU 28 Cb -0.07 -3.23 -0.04 0.00 0.02 0.00 0.00 46.19 42.87 1hwu s LEU 28 CO -0.06 0.14 0.06 -0.89 0.02 0.00 0.00 176.35 175.62 1hwu s THR 29 N -1.38 4.79 -0.10 5.49 2.01 -0.89 -4.98 115.64 120.57 1hwu s THR 29 Ca 0.36 -0.09 0.01 0.00 0.31 0.00 0.00 61.69 62.29 1hwu s THR 29 Cb -0.17 -3.05 0.02 0.00 0.01 0.00 0.00 72.50 69.31 1hwu s THR 29 CO 0.20 0.59 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.90 1hwu s VAL 30 N -0.96 1.35 -0.04 3.82 1.01 -1.26 -1.77 120.40 122.55 1hwu s VAL 30 Ca 0.15 -0.55 0.05 0.00 0.00 0.00 0.00 61.98 61.62 1hwu s VAL 30 Cb -0.12 -1.25 -0.03 0.00 0.00 0.00 0.00 36.38 34.99 1hwu s VAL 30 CO 0.04 0.41 -0.16 -0.89 0.00 0.00 0.00 175.10 174.49 1hwu s THR 31 N 1.06 2.88 -0.37 3.92 2.01 -0.31 -4.99 115.64 119.83 1hwu s THR 31 Ca -0.06 -0.82 -0.22 0.00 0.31 0.00 0.00 61.69 60.89 1hwu s THR 31 Cb -0.15 -2.12 0.01 0.00 0.01 0.00 0.00 72.50 70.26 1hwu s THR 31 CO -0.02 0.57 0.74 -1.61 -0.69 0.00 0.00 174.62 173.61 1hwu s GLU 32 N -0.77 3.69 0.36 4.92 2.02 -1.26 -1.18 118.70 126.48 1hwu s GLU 32 Ca 0.12 0.20 0.08 0.00 0.02 0.00 0.00 54.97 55.39 1hwu s GLU 32 Cb -0.10 -3.82 -0.06 0.00 0.10 0.00 0.00 34.13 30.24 1hwu s GLU 32 CO 0.01 -0.85 0.03 0.14 0.02 0.00 0.00 175.26 174.61 1hwu s VAL 33 N 3.01 2.47 0.15 2.63 -7.23 -0.75 -4.96 120.40 115.72 1hwu s VAL 33 Ca 0.29 -1.94 0.10 0.00 -1.81 0.00 0.00 61.98 58.62 1hwu s VAL 33 Cb -0.13 -2.85 -0.04 0.00 0.56 0.00 0.00 36.38 33.92 1hwu s VAL 33 CO 0.17 -0.14 -0.22 -0.54 -0.31 0.00 0.00 175.10 174.06 1hwu s LYS 34 N -3.74 1.31 0.05 4.82 -0.14 -1.26 -0.63 119.74 120.15 1hwu s LYS 34 Ca 0.36 -1.35 0.03 0.00 -1.36 0.00 0.00 55.97 53.65 1hwu s LYS 34 Cb 0.02 -1.58 -0.03 0.00 -1.68 0.00 0.00 37.83 34.57 1hwu s LYS 34 CO 0.20 0.35 -0.10 0.20 -0.76 0.00 0.00 175.35 175.24 1hwu s GLY 35 N -2.33 0.64 1.05 -3.33 0.00 -0.83 -4.93 107.32 97.59 1hwu s GLY 35 Ca 0.14 -0.85 -0.16 0.00 0.00 0.00 0.00 44.72 43.84 1hwu s GLY 35 CO 0.07 -0.90 1.16 -1.36 0.00 0.00 0.00 173.10 172.07 1hwu s PHE 36 N -1.36 1.45 0.00 1.90 0.08 -1.26 -1.01 117.98 117.77 1hwu s PHE 36 Ca -0.07 0.60 0.00 0.00 0.12 0.00 0.00 56.93 57.58 1hwu s PHE 36 Cb -0.10 -3.57 0.00 0.00 -0.57 0.00 0.00 43.02 38.78 1hwu s PHE 36 CO 0.01 -3.10 0.00 -1.91 -0.10 0.00 0.00 175.22 170.12 1hwu n GLU 50 N -4.21 0.00 -3.59 0.44 2.13 -1.26 -4.42 120.64 109.73 1hwu n GLU 50 Ca 0.11 0.00 -0.18 0.00 0.66 0.00 0.00 57.16 57.75 1hwu n GLU 50 Cb 0.59 0.00 -0.14 0.00 0.27 0.00 0.00 31.44 32.16 1hwu n GLU 50 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 1hwu s TYR 51 N 0.00 -0.22 -0.07 4.31 6.14 -1.26 -5.13 117.35 121.12 1hwu s TYR 51 Ca 0.00 0.44 0.02 0.00 0.64 0.00 0.00 57.07 58.17 1hwu s TYR 51 Cb 0.00 -0.30 0.01 0.00 0.42 0.00 0.00 41.96 42.09 1hwu s TYR 51 CO 0.00 -0.43 -0.11 0.08 0.64 0.00 0.00 175.55 175.73 1hwu s VAL 52 N 2.31 1.08 0.19 3.14 1.01 -1.26 -5.15 120.40 121.72 1hwu s VAL 52 Ca 0.04 -0.44 0.08 0.00 0.00 0.00 0.00 61.98 61.66 1hwu s VAL 52 Cb -0.14 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 1hwu s VAL 52 CO -0.09 0.35 -0.15 0.68 0.00 0.00 0.00 175.10 175.89 1hwu s VAL 53 N 0.75 1.68 0.18 2.92 -7.23 -1.26 -5.12 120.40 112.33 1hwu s VAL 53 Ca -0.13 -2.12 -0.32 0.00 -1.81 0.00 0.00 61.98 57.60 1hwu s VAL 53 Cb -0.15 -1.96 -0.11 0.00 0.56 0.00 0.00 36.38 34.71 1hwu s VAL 53 CO 0.03 -0.55 1.70 -1.81 -0.31 0.00 0.00 175.10 174.16 1hwu s ASP 54 N -3.14 6.44 -0.47 4.85 1.01 -1.26 -5.00 116.67 119.10 1hwu s ASP 54 Ca 0.20 2.79 -0.07 0.00 0.71 0.00 0.00 52.55 56.17 1hwu s ASP 54 Cb -0.02 -2.59 0.12 0.00 1.01 0.00 0.00 42.92 41.44 1hwu s ASP 54 CO 0.06 -0.94 0.32 0.12 0.21 0.00 0.00 175.17 174.94 1hwu s PHE 55 N 1.40 3.47 0.07 4.23 5.36 -1.26 -4.56 117.98 126.69 1hwu s PHE 55 Ca 0.74 -2.04 -0.12 0.00 -0.96 0.00 0.00 56.93 54.55 1hwu s PHE 55 Cb -0.48 -3.43 -0.06 0.00 -0.34 0.00 0.00 43.02 38.71 1hwu s PHE 55 CO 0.32 -0.99 0.43 -0.51 -1.46 0.00 0.00 175.22 173.01 1hwu s LEU 56 N 1.25 4.38 -0.14 6.12 1.43 -0.18 -4.90 118.68 126.63 1hwu s LEU 56 Ca 0.07 0.89 -0.26 0.00 -1.03 0.00 0.00 54.13 53.80 1hwu s LEU 56 Cb -0.25 -2.92 -0.02 0.00 0.03 0.00 0.00 46.19 43.03 1hwu s LEU 56 CO -0.02 0.20 0.84 -2.84 0.23 0.00 0.00 176.35 174.76 1hwu s PRO 57 N -1.69 4.34 0.35 1.29 0.02 -1.26 -1.97 135.00 136.08 1hwu s PRO 57 Ca 0.31 1.05 0.08 0.00 0.02 0.00 0.00 61.00 62.47 1hwu s PRO 57 Cb -0.15 -3.55 -0.07 0.00 0.02 0.00 0.00 34.50 30.75 1hwu s PRO 57 CO 0.17 -0.27 -0.06 0.15 -0.33 0.00 0.00 177.00 176.66 1hwu s LYS 58 N 1.93 1.80 -0.14 5.54 1.02 0.20 -4.58 119.74 125.52 1hwu s LYS 58 Ca 0.40 -1.95 0.01 0.00 0.02 0.00 0.00 55.97 54.44 1hwu s LYS 58 Cb -0.17 -1.57 -0.00 0.00 -0.52 0.00 0.00 37.83 35.57 1hwu s LYS 58 CO 0.14 0.07 -0.17 0.08 -0.92 0.00 0.00 175.35 174.54 1hwu s VAL 59 N -2.72 2.52 -0.17 3.17 1.01 -0.29 -1.80 120.40 122.11 1hwu s VAL 59 Ca 0.33 -0.83 -0.18 0.00 0.00 0.00 0.00 61.98 61.30 1hwu s VAL 59 Cb 0.05 -2.04 -0.04 0.00 0.00 0.00 0.00 36.38 34.35 1hwu s VAL 59 CO 0.16 0.53 0.48 -0.75 0.00 0.00 0.00 175.10 175.52 1hwu s LYS 60 N 0.66 4.24 -0.07 2.72 2.20 -0.32 -0.15 119.74 129.03 1hwu s LYS 60 Ca -0.09 0.38 0.05 0.00 -0.36 0.00 0.00 55.97 55.96 1hwu s LYS 60 Cb -0.16 -3.51 -0.01 0.00 -1.51 0.00 0.00 37.83 32.64 1hwu s LYS 60 CO 0.02 -0.02 -0.23 0.42 -0.36 0.00 0.00 175.35 175.18 1hwu s ILE 61 N 1.21 2.22 -0.05 5.43 1.01 0.28 -1.17 121.20 130.13 1hwu s ILE 61 Ca 0.24 -1.00 0.02 0.00 0.00 0.00 0.00 60.65 59.90 1hwu s ILE 61 Cb -0.15 -1.82 0.02 0.00 0.01 0.00 0.00 42.46 40.51 1hwu s ILE 61 CO 0.09 0.57 -0.08 -1.61 0.00 0.00 0.00 174.94 173.91 1hwu s GLU 62 N -0.14 1.22 -0.03 2.79 2.02 -0.73 -0.86 118.70 122.97 1hwu s GLU 62 Ca -0.04 -0.24 -0.02 0.00 0.02 0.00 0.00 54.97 54.69 1hwu s GLU 62 Cb -0.14 -1.10 0.01 0.00 0.10 0.00 0.00 34.13 33.01 1hwu s GLU 62 CO 0.04 -0.04 0.07 0.14 0.02 0.00 0.00 175.26 175.49 1hwu s VAL 63 N 0.81 -0.02 -0.21 2.63 -7.23 -0.47 -2.10 120.40 113.82 1hwu s VAL 63 Ca -0.12 0.06 -0.08 0.00 -1.81 0.00 0.00 61.98 60.03 1hwu s VAL 63 Cb -0.15 -0.11 -0.04 0.00 0.56 0.00 0.00 36.38 36.64 1hwu s VAL 63 CO 0.02 0.02 0.07 -0.69 -0.31 0.00 0.00 175.10 174.21 1hwu s VAL 64 N 0.36 4.69 0.08 1.32 1.01 -1.26 -0.20 120.40 126.39 1hwu s VAL 64 Ca -0.03 -0.06 -0.03 0.00 0.00 0.00 0.00 61.98 61.86 1hwu s VAL 64 Cb -0.04 -3.14 -0.03 0.00 0.00 0.00 0.00 36.38 33.17 1hwu s VAL 64 CO -0.01 0.41 0.05 0.68 0.00 0.00 0.00 175.10 176.23 1hwu s VAL 65 N 0.78 0.17 0.41 2.92 -7.23 -0.01 -4.90 120.40 112.53 1hwu s VAL 65 Ca 0.04 -1.69 -0.25 0.00 -1.81 0.00 0.00 61.98 58.27 1hwu s VAL 65 Cb -0.13 -1.63 -0.08 0.00 0.56 0.00 0.00 36.38 35.09 1hwu s VAL 65 CO 0.02 -0.77 1.14 -0.62 -0.31 0.00 0.00 175.10 174.56 1hwu s ASP 66 N -2.94 6.53 0.36 4.85 -1.08 -1.26 0.37 116.67 123.50 1hwu s ASP 66 Ca 0.11 2.27 0.12 0.00 -0.52 0.00 0.00 52.55 54.53 1hwu s ASP 66 Cb 0.07 -2.61 0.91 0.00 -1.46 0.00 0.00 42.92 39.83 1hwu s ASP 66 CO -0.07 -0.67 1.81 0.44 0.52 0.00 0.00 175.17 177.21 1hwu h ASP 67 N 2.53 0.61 0.61 -0.34 5.19 -1.94 -0.89 116.42 122.19 1hwu h ASP 67 Ca -0.49 0.07 0.00 0.00 -0.62 0.00 0.00 57.03 55.99 1hwu h ASP 67 Cb 1.23 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.70 1hwu h ASP 67 CO 0.62 0.23 0.00 0.29 -3.12 0.00 0.00 179.24 177.26 1hwu n LYS 68 N -4.64 0.10 0.00 3.56 4.01 -1.26 -2.85 118.16 117.08 1hwu n LYS 68 Ca 0.22 0.12 0.09 0.00 -0.51 0.00 0.00 58.31 58.23 1hwu n LYS 68 Cb 0.64 -1.50 -0.08 0.00 -0.51 0.00 0.00 35.03 33.58 1hwu n LYS 68 CO 0.00 0.00 0.00 1.33 -1.11 0.00 0.00 177.40 177.62 1hwu n VAL 69 N -1.43 0.00 -0.18 -0.18 0.24 -0.34 -4.66 118.33 111.78 1hwu n VAL 69 Ca 0.07 -0.13 -0.05 0.00 -2.04 0.00 0.00 64.34 62.19 1hwu n VAL 69 Cb 0.22 1.06 0.02 0.00 -1.47 0.00 0.00 33.84 33.66 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 0.56 0.24 -0.77 3.34 2.07 -1.56 -1.41 116.25 118.71 1hwu h VAL 70 Ca 0.00 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.59 1hwu h VAL 70 Cb 0.49 0.24 -0.06 0.00 -1.52 0.00 0.00 31.29 30.43 1hwu h VAL 70 CO 0.00 0.00 0.45 -0.33 0.02 0.00 0.00 177.57 177.71 1hwu h GLU 71 N -0.15 0.78 -0.26 1.57 3.07 -1.83 0.29 114.58 118.06 1hwu h GLU 71 Ca 0.23 -0.05 -0.16 0.00 -0.50 0.00 0.00 59.36 58.89 1hwu h GLU 71 Cb 0.53 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.25 1hwu h GLU 71 CO -0.63 0.52 -0.48 -0.56 -1.40 0.00 0.00 179.01 176.46 1hwu h GLN 72 N 0.81 0.69 0.39 2.33 3.07 -1.81 -1.13 115.11 119.45 1hwu h GLN 72 Ca 0.35 -0.40 -0.02 0.00 0.09 0.00 0.00 58.65 58.67 1hwu h GLN 72 Cb 0.23 0.03 0.00 0.00 0.08 0.00 0.00 27.48 27.82 1hwu h GLN 72 CO -0.20 1.01 -0.19 0.00 0.09 0.00 0.00 178.83 179.55 1hwu h ALA 73 N 0.92 -0.52 -0.93 0.06 0.00 -0.85 -0.05 119.26 117.89 1hwu h ALA 73 Ca 0.03 -0.12 0.12 0.00 0.00 0.00 0.00 54.91 54.95 1hwu h ALA 73 Cb 1.03 0.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.95 1hwu h ALA 73 CO 0.10 -0.79 0.60 0.28 0.00 0.00 0.00 179.25 179.43 1hwu h VAL 74 N -0.53 0.90 -0.39 0.00 2.07 -0.30 -1.96 116.25 116.05 1hwu h VAL 74 Ca -0.05 -0.29 -0.14 0.00 0.82 0.00 0.00 66.70 67.03 1hwu h VAL 74 Cb 0.40 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 1hwu h VAL 74 CO 0.09 0.16 -0.32 -0.78 0.02 0.00 0.00 177.57 176.73 1hwu h ASP 75 N 0.86 0.95 -0.45 0.57 3.58 -1.12 -1.81 116.42 119.00 1hwu h ASP 75 Ca 0.46 -0.45 -0.04 0.00 0.42 0.00 0.00 57.03 57.42 1hwu h ASP 75 Cb 0.55 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 41.32 1hwu h ASP 75 CO -0.22 1.20 0.14 0.00 -2.88 0.00 0.00 179.24 177.47 1hwu h ALA 76 N 0.78 0.58 -0.19 -0.78 0.00 -0.53 -1.33 119.26 117.79 1hwu h ALA 76 Ca 0.07 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1hwu h ALA 76 Cb 0.91 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1hwu h ALA 76 CO 0.08 0.24 0.05 0.82 0.00 0.00 0.00 179.25 180.44 1hwu h ILE 77 N 0.58 1.20 0.07 0.00 2.04 -1.20 -2.44 117.51 117.78 1hwu h ILE 77 Ca 0.14 -0.65 0.02 0.00 1.00 0.00 0.00 64.86 65.37 1hwu h ILE 77 Cb 0.27 1.28 -0.04 0.00 -0.74 0.00 0.00 36.82 37.60 1hwu h ILE 77 CO -0.00 0.20 -0.29 0.40 0.00 0.00 0.00 178.15 178.45 1hwu h ILE 78 N 0.11 0.36 -0.67 -0.67 1.08 -1.32 0.20 117.51 116.60 1hwu h ILE 78 Ca 0.06 0.00 0.14 0.00 -0.39 0.00 0.00 64.86 64.67 1hwu h ILE 78 Cb 0.27 0.36 -0.11 0.00 -3.07 0.00 0.00 36.82 34.26 1hwu h ILE 78 CO 0.00 0.00 0.02 0.11 -0.69 0.00 0.00 178.15 177.59 1hwu h LYS 79 N -0.48 0.13 0.00 2.37 1.57 -1.26 -2.03 116.57 116.86 1hwu h LYS 79 Ca 0.04 -0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.72 1hwu h LYS 79 Cb 0.54 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.80 1hwu h LYS 79 CO -0.20 0.08 -0.97 0.00 -0.57 0.00 0.00 179.45 177.79 1hwu h ALA 80 N 1.61 0.65 0.00 3.86 0.00 -1.00 -3.40 119.26 120.98 1hwu h ALA 80 Ca 0.36 -0.45 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1hwu h ALA 80 Cb 0.59 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1hwu h ALA 80 CO -0.56 0.52 -1.41 0.00 0.00 0.00 0.00 179.25 177.79 1hwu n ALA 81 N -2.27 2.36 -2.11 0.00 0.00 0.65 -4.64 120.51 114.50 1hwu n ALA 81 Ca -0.03 -0.44 -0.42 0.00 0.00 0.00 0.00 53.44 52.54 1hwu n ALA 81 Cb 0.71 -0.94 -0.03 0.00 0.00 0.00 0.00 19.45 19.19 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 -3.23 4.27 -0.01 0.00 3.52 -0.79 -4.92 118.95 117.80 1hwu s ARG 82 Ca -0.03 2.12 0.01 0.00 -0.13 0.00 0.00 55.73 57.70 1hwu s ARG 82 Cb 0.10 -3.40 -0.02 0.00 -1.56 0.00 0.00 34.95 30.07 1hwu s ARG 82 CO 0.82 -0.55 0.02 0.25 -0.81 0.00 0.00 175.30 175.03 1hwu n THR 83 N 4.31 0.03 0.00 4.11 -2.24 -1.26 -5.02 114.28 114.21 1hwu n THR 83 Ca 0.13 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 1hwu n THR 83 Cb 0.42 -0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.63 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 2.59 3.03 3.86 3.38 0.00 -1.26 -5.06 105.19 111.73 1hwu n GLY 84 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.59 3.65 0.45 1.61 -0.14 -1.26 -5.02 119.74 118.45 1hwu s LYS 85 Ca 0.00 0.84 -0.24 0.00 -1.36 0.00 0.00 55.97 55.21 1hwu s LYS 85 Cb 0.00 -2.09 -0.07 0.00 -1.68 0.00 0.00 37.83 33.99 1hwu s LYS 85 CO 0.00 -0.52 1.28 0.42 -0.76 0.00 0.00 175.35 175.76 1hwu s ILE 86 N -2.98 2.64 0.00 2.17 -1.09 -1.26 -3.38 121.20 117.30 1hwu s ILE 86 Ca 0.57 0.52 0.00 0.00 -2.23 0.00 0.00 60.65 59.51 1hwu s ILE 86 Cb -0.11 -3.29 0.00 0.00 -1.58 0.00 0.00 42.46 37.48 1hwu s ILE 86 CO 0.47 0.04 0.00 0.61 -1.23 0.00 0.00 174.94 174.82 1hwu n GLY 87 N 0.62 0.62 0.26 6.18 0.00 -1.26 -4.93 105.19 106.68 1hwu n GLY 87 Ca 0.06 -0.75 0.14 0.00 0.00 0.00 0.00 46.02 45.47 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 -5.00 1.61 3.32 -1.92 -3.42 116.42 111.01 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 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1hwu h ASP 88 CO 0.00 0.12 0.00 0.61 -1.72 0.00 0.00 179.24 178.25 1hwu n GLY 89 N -0.37 -1.19 3.13 2.75 0.00 -1.26 -4.29 105.19 103.96 1hwu n GLY 89 Ca -0.01 -2.22 -0.09 0.00 0.00 0.00 0.00 46.02 43.70 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 -0.60 0.74 -0.06 1.61 1.02 -1.17 -4.99 119.74 116.30 1hwu s LYS 90 Ca 0.00 -1.29 0.06 0.00 0.02 0.00 0.00 55.97 54.75 1hwu s LYS 90 Cb 0.00 0.01 -0.01 0.00 -0.52 0.00 0.00 37.83 37.31 1hwu s LYS 90 CO 0.00 -0.08 -0.24 0.42 -0.92 0.00 0.00 175.35 174.54 1hwu s ILE 91 N -3.79 1.97 0.13 2.17 1.01 -1.26 -1.46 121.20 119.97 1hwu s ILE 91 Ca 0.11 -1.01 0.09 0.00 0.00 0.00 0.00 60.65 59.84 1hwu s ILE 91 Cb 0.07 -1.67 -0.04 0.00 0.01 0.00 0.00 42.46 40.83 1hwu s ILE 91 CO -0.07 0.55 -0.22 -0.36 0.00 0.00 0.00 174.94 174.84 1hwu s PHE 92 N -0.07 1.96 -0.10 3.97 0.40 -0.33 -4.98 117.98 118.83 1hwu s PHE 92 Ca -0.05 -0.41 0.01 0.00 -0.60 0.00 0.00 56.93 55.87 1hwu s PHE 92 Cb -0.14 -1.04 0.02 0.00 0.51 0.00 0.00 43.02 42.36 1hwu s PHE 92 CO 0.04 0.29 -0.12 0.08 0.70 0.00 0.00 175.22 176.21 1hwu s VAL 93 N -1.36 1.29 0.11 -0.44 1.01 -1.26 -1.44 120.40 118.31 1hwu s VAL 93 Ca 0.11 -0.51 0.03 0.00 0.00 0.00 0.00 61.98 61.62 1hwu s VAL 93 Cb -0.09 -1.21 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 1hwu s VAL 93 CO 0.06 0.40 -0.09 -1.10 0.00 0.00 0.00 175.10 174.37 1hwu s GLN 94 N 1.14 0.90 0.20 2.72 -0.21 -0.54 -4.97 119.66 118.89 1hwu s GLN 94 Ca -0.05 -1.27 -0.27 0.00 0.02 0.00 0.00 55.36 53.79 1hwu s GLN 94 Cb -0.14 -0.47 -0.08 0.00 1.00 0.00 0.00 33.01 33.31 1hwu s GLN 94 CO -0.03 0.06 0.85 -2.00 -2.12 0.00 0.00 175.29 172.04 1hwu s GLU 95 N -3.28 4.68 -0.28 2.91 2.12 -1.26 0.23 118.70 123.82 1hwu s GLU 95 Ca 0.10 1.29 -0.06 0.00 0.36 0.00 0.00 54.97 56.66 1hwu s GLU 95 Cb 0.00 -3.25 0.01 0.00 0.26 0.00 0.00 34.13 31.15 1hwu s GLU 95 CO -0.01 0.54 0.05 0.08 -0.54 0.00 0.00 175.26 175.38 1hwu s VAL 96 N -1.18 3.73 0.23 3.70 1.01 0.19 -4.75 120.40 123.33 1hwu s VAL 96 Ca 0.38 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.61 1hwu s VAL 96 Cb -0.24 -2.91 -0.00 0.00 0.00 0.00 0.00 36.38 33.22 1hwu s VAL 96 CO 0.28 0.11 1.60 -0.33 0.00 0.00 0.00 175.10 176.77 1hwu h GLU 97 N 8.18 0.48 -3.12 2.72 5.08 -1.97 -3.36 114.58 122.59 1hwu h GLU 97 Ca -0.32 -0.25 -0.14 0.00 -1.00 0.00 0.00 59.36 57.65 1hwu h GLU 97 Cb 1.12 0.01 -0.22 0.00 0.50 0.00 0.00 28.75 30.16 1hwu h GLU 97 CO 0.60 0.83 -0.35 -0.65 -1.00 0.00 0.00 179.01 178.43 1hwu s GLN 98 N -4.16 0.51 0.03 2.33 -0.21 -1.26 -4.95 119.66 111.95 1hwu s GLN 98 Ca -0.07 0.00 0.06 0.00 0.02 0.00 0.00 55.36 55.38 1hwu s GLN 98 Cb 0.12 0.23 -0.02 0.00 1.00 0.00 0.00 33.01 34.34 1hwu s GLN 98 CO 0.81 -0.12 -0.18 0.08 -2.12 0.00 0.00 175.29 173.77 1hwu s VAL 99 N -0.76 1.40 -0.05 1.09 1.01 -1.26 -5.01 120.40 116.82 1hwu s VAL 99 Ca -0.08 -1.01 -0.01 0.00 0.00 0.00 0.00 61.98 60.88 1hwu s VAL 99 Cb -0.04 -1.22 0.03 0.00 0.00 0.00 0.00 36.38 35.15 1hwu s VAL 99 CO 0.02 0.18 0.02 -0.63 0.00 0.00 0.00 175.10 174.70 1hwu s ILE 100 N -0.71 0.13 -0.17 2.22 1.09 -1.26 -2.03 121.20 120.47 1hwu s ILE 100 Ca 0.05 0.22 -0.24 0.00 -1.10 0.00 0.00 60.65 59.58 1hwu s ILE 100 Cb -0.08 -0.30 -0.02 0.00 -1.06 0.00 0.00 42.46 41.00 1hwu s ILE 100 CO 0.01 0.19 0.77 -0.60 -0.10 0.00 0.00 174.94 175.22 1hwu s ARG 101 N 1.71 4.29 0.23 2.79 3.52 0.24 -4.98 118.95 126.74 1hwu s ARG 101 Ca -0.00 0.91 -0.03 0.00 -0.13 0.00 0.00 55.73 56.48 1hwu s ARG 101 Cb -0.13 -3.57 0.25 0.00 -1.56 0.00 0.00 34.95 29.95 1hwu s ARG 101 CO -0.03 -0.28 1.68 0.82 -0.81 0.00 0.00 175.30 176.67 1hwu h ILE 102 N 5.16 1.26 -0.24 4.11 2.04 -1.96 0.28 117.51 128.17 1hwu h ILE 102 Ca -0.31 -1.23 -0.16 0.00 1.00 0.00 0.00 64.86 64.16 1hwu h ILE 102 Cb 1.14 1.12 -0.00 0.00 -0.74 0.00 0.00 36.82 38.34 1hwu h ILE 102 CO 0.82 0.41 -0.51 -0.09 0.00 0.00 0.00 178.15 178.78 1hwu h ARG 103 N 0.67 0.69 0.00 2.37 2.43 -1.98 -3.29 114.38 115.26 1hwu h ARG 103 Ca 0.11 -0.41 0.00 0.00 -0.81 0.00 0.00 59.98 58.86 1hwu h ARG 103 Cb 0.64 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.23 1hwu h ARG 103 CO 0.05 1.03 -1.22 0.25 -1.51 0.00 0.00 179.97 178.57 1hwu n THR 104 N -3.99 0.00 -0.99 0.20 -2.24 -1.22 -4.99 114.28 101.05 1hwu n THR 104 Ca -0.03 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 1hwu n THR 104 Cb 0.59 0.44 0.00 0.00 -2.10 0.00 0.00 70.33 69.27 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 1.78 0.23 3.73 3.38 0.00 0.99 -5.00 105.19 110.30 1hwu n GLY 105 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 1hwu n GLY 105 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1hwu s GLU 106 N -1.11 2.51 0.19 1.61 2.02 -1.22 -4.75 118.70 117.95 1hwu s GLU 106 Ca 0.00 2.03 0.01 0.00 0.02 0.00 0.00 54.97 57.04 1hwu s GLU 106 Cb 0.00 -1.84 -0.05 0.00 0.10 0.00 0.00 34.13 32.34 1hwu s GLU 106 CO 0.00 -1.62 0.03 0.95 0.02 0.00 0.00 175.26 174.63 1hwu s THR 107 N -1.45 0.60 0.00 3.63 -4.23 -1.26 -0.60 115.64 112.33 1hwu s THR 107 Ca 0.82 -1.98 0.00 0.00 -1.18 0.00 0.00 61.69 59.35 1hwu s THR 107 Cb -0.37 -2.23 0.00 0.00 1.34 0.00 0.00 72.50 71.25 1hwu s THR 107 CO 0.40 -0.37 0.00 0.61 -0.54 0.00 0.00 174.62 174.72 1hwu n GLY 108 N -0.28 3.30 0.28 3.99 0.00 -0.86 -2.22 105.19 109.41 1hwu n GLY 108 Ca -0.05 -0.23 0.02 0.00 0.00 0.00 0.00 46.02 45.76 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 0.48 0.00 1.61 0.11 -1.97 -1.28 132.00 130.96 1hwu h PRO 109 Ca 0.00 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 66.03 1hwu h PRO 109 Cb 0.00 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.03 1hwu h PRO 109 CO 0.00 0.45 0.00 -0.44 -0.21 0.00 0.00 178.00 177.80 1hwu h ASP 110 N 0.47 0.00 0.24 -2.05 3.32 -1.84 -3.23 116.42 113.33 1hwu h ASP 110 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1hwu h ASP 110 Cb 0.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.75 1hwu h ASP 110 CO -0.00 0.00 -0.25 0.00 -1.72 0.00 0.00 179.24 177.26 1hwu n ALA 111 N -2.05 3.07 1.17 3.45 0.00 -0.48 -4.84 120.51 120.83 1hwu n ALA 111 Ca -0.01 -0.40 0.13 0.00 0.00 0.00 0.00 53.44 53.16 1hwu n ALA 111 Cb 0.20 -1.14 0.24 0.00 0.00 0.00 0.00 19.45 18.76 1hwu n ALA 111 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83