#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hb6 h GLN 2 N 0.00 0.00 -0.42 1.43 5.75 -2.02 -2.84 115.11 117.01 1hb6 h GLN 2 Ca 0.00 0.00 -0.13 0.00 -0.15 0.00 0.00 58.65 58.37 1hb6 h GLN 2 Cb 0.00 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.54 1hb6 h GLN 2 CO 0.00 0.90 -0.24 0.00 -2.65 0.00 0.00 178.83 176.84 1hb6 h ALA 3 N 1.10 0.59 -0.50 3.38 0.00 -2.05 -1.70 119.26 120.07 1hb6 h ALA 3 Ca -0.01 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.45 1hb6 h ALA 3 Cb 1.59 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.22 1hb6 h ALA 3 CO 0.12 0.59 0.06 0.93 0.00 0.00 0.00 179.25 180.94 1hb6 h GLU 4 N 0.72 0.80 -0.19 0.00 4.39 -2.00 -1.87 114.58 116.43 1hb6 h GLU 4 Ca 0.09 -0.19 -0.03 0.00 0.34 0.00 0.00 59.36 59.57 1hb6 h GLU 4 Cb 0.81 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.35 1hb6 h GLU 4 CO 0.07 0.77 0.02 0.35 -1.16 0.00 0.00 179.01 179.05 1hb6 h PHE 5 N 0.76 0.35 -0.98 4.33 3.57 -1.29 -1.85 116.94 121.84 1hb6 h PHE 5 Ca 0.16 -0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.63 1hb6 h PHE 5 Cb 0.37 -0.09 -0.05 0.00 2.79 0.00 0.00 35.95 38.97 1hb6 h PHE 5 CO 0.02 0.50 0.64 -0.44 -2.23 0.00 0.00 178.31 176.80 1hb6 h ASP 6 N 0.10 1.09 0.15 0.41 3.32 -1.10 -0.89 116.42 119.51 1hb6 h ASP 6 Ca 0.06 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 1hb6 h ASP 6 Cb 0.35 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1hb6 h ASP 6 CO 0.01 0.77 -0.07 0.50 -1.72 0.00 0.00 179.24 178.72 1hb6 h LYS 7 N 1.28 -0.20 -0.90 3.56 1.63 -1.17 -2.53 116.57 118.24 1hb6 h LYS 7 Ca 0.37 0.01 0.06 0.00 -0.85 0.00 0.00 60.65 60.25 1hb6 h LYS 7 Cb -0.08 0.05 -0.06 0.00 -0.60 0.00 0.00 32.23 31.53 1hb6 h LYS 7 CO -0.10 -0.05 0.57 0.00 -3.45 0.00 0.00 179.45 176.43 1hb6 h ALA 8 N 0.52 1.24 -0.27 5.00 0.00 -1.05 -0.55 119.26 124.14 1hb6 h ALA 8 Ca -0.02 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.89 1hb6 h ALA 8 Cb 0.24 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1hb6 h ALA 8 CO 0.03 0.34 0.18 0.00 0.00 0.00 0.00 179.25 179.81 1hb6 h ALA 9 N 1.42 1.88 0.05 0.00 0.00 -0.94 -1.07 119.26 120.60 1hb6 h ALA 9 Ca 0.39 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.18 1hb6 h ALA 9 Cb 0.16 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1hb6 h ALA 9 CO -0.17 0.09 -0.50 0.93 0.00 0.00 0.00 179.25 179.60 1hb6 h GLU 10 N 0.30 0.10 -0.71 0.00 4.39 -0.83 -3.36 114.58 114.47 1hb6 h GLU 10 Ca 0.11 -0.16 0.02 0.00 0.34 0.00 0.00 59.36 59.67 1hb6 h GLU 10 Cb 0.06 0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.73 1hb6 h GLU 10 CO -0.02 1.08 0.47 0.93 -1.16 0.00 0.00 179.01 180.30 1hb6 h GLU 11 N -0.78 0.87 0.00 2.33 5.08 -0.94 -1.33 114.58 119.82 1hb6 h GLU 11 Ca -0.11 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1hb6 h GLU 11 Cb 1.27 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 30.32 1hb6 h GLU 11 CO 0.01 0.58 -0.01 -0.24 -1.00 0.00 0.00 179.01 178.35 1hb6 h VAL 12 N 0.90 0.46 0.00 3.13 3.04 -1.35 0.36 116.25 122.79 1hb6 h VAL 12 Ca 0.27 -0.03 0.00 0.00 -1.01 0.00 0.00 66.70 65.93 1hb6 h VAL 12 Cb -0.00 1.02 0.00 0.00 -2.01 0.00 0.00 31.29 30.30 1hb6 h VAL 12 CO -0.07 0.01 0.00 0.11 -1.01 0.00 0.00 177.57 176.61 1hb6 h LYS 13 N 0.00 0.00 -0.65 4.17 1.57 -1.39 -3.30 116.57 116.98 1hb6 h LYS 13 Ca -0.00 0.00 -0.44 0.00 -1.87 0.00 0.00 60.65 58.34 1hb6 h LYS 13 Cb 0.02 0.00 -0.28 0.00 0.08 0.00 0.00 32.23 32.05 1hb6 h LYS 13 CO 0.00 0.00 -0.18 0.72 -0.57 0.00 0.00 179.45 179.42 1hb6 n HIS 14 N -2.83 2.21 -2.49 -1.35 8.25 0.11 -5.02 115.22 114.10 1hb6 n HIS 14 Ca 0.03 -2.17 -0.40 0.00 -0.26 0.00 0.00 57.72 54.92 1hb6 n HIS 14 Cb 0.39 -0.64 -0.04 0.00 1.12 0.00 0.00 29.99 30.82 1hb6 n HIS 14 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1hb6 s LEU 15 N -3.52 4.55 0.45 2.41 1.43 -1.24 -4.73 118.68 118.03 1hb6 s LEU 15 Ca 0.52 2.23 0.11 0.00 -1.03 0.00 0.00 54.13 55.95 1hb6 s LEU 15 Cb 0.43 -3.62 1.00 0.00 0.03 0.00 0.00 46.19 44.03 1hb6 s LEU 15 CO 0.01 -0.13 2.07 0.11 0.23 0.00 0.00 176.35 178.64 1hb6 h LYS 16 N 3.99 0.30 -6.10 1.70 1.57 -1.48 -3.41 116.57 113.15 1hb6 h LYS 16 Ca -0.46 -0.02 -0.62 0.00 -1.87 0.00 0.00 60.65 57.67 1hb6 h LYS 16 Cb 1.21 -0.06 -0.30 0.00 0.08 0.00 0.00 32.23 33.16 1hb6 h LYS 16 CO 0.68 0.23 -0.86 0.99 -0.57 0.00 0.00 179.45 179.91 1hb6 s THR 17 N -5.24 1.70 -0.03 -0.16 2.01 -1.26 -5.09 115.64 107.57 1hb6 s THR 17 Ca -0.07 -0.92 -0.30 0.00 0.31 0.00 0.00 61.69 60.72 1hb6 s THR 17 Cb 0.17 -1.41 -0.03 0.00 0.01 0.00 0.00 72.50 71.24 1hb6 s THR 17 CO 0.71 0.48 1.06 -1.59 -0.69 0.00 0.00 174.62 174.59 1hb6 s LYS 18 N -0.49 4.47 0.96 4.92 -2.85 -1.26 -4.93 119.74 120.55 1hb6 s LYS 18 Ca 0.08 1.52 -0.13 0.00 -1.00 0.00 0.00 55.97 56.44 1hb6 s LYS 18 Cb -0.08 -3.48 0.05 0.00 -2.06 0.00 0.00 37.83 32.26 1hb6 s LYS 18 CO -0.01 -0.22 0.45 -2.30 0.10 0.00 0.00 175.35 173.37 1hb6 n PRO 19 N 4.41 -0.40 -1.33 1.78 -0.02 -1.26 -4.99 135.00 133.19 1hb6 n PRO 19 Ca 0.08 -0.07 -0.30 0.00 -2.02 0.00 0.00 63.50 61.19 1hb6 n PRO 19 Cb 0.49 -1.89 0.11 0.00 -0.02 0.00 0.00 33.50 32.18 1hb6 n PRO 19 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1hb6 s ALA 20 N -2.41 1.93 0.21 3.55 0.00 -1.26 -4.76 121.76 119.02 1hb6 s ALA 20 Ca 0.58 -0.04 -0.09 0.00 0.00 0.00 0.00 51.96 52.41 1hb6 s ALA 20 Cb -0.21 -3.18 0.28 0.00 0.00 0.00 0.00 23.12 20.01 1hb6 s ALA 20 CO 0.67 -2.01 1.78 -0.44 0.00 0.00 0.00 175.76 175.75 1hb6 h ASP 21 N -1.30 0.41 -0.72 0.00 3.32 -1.99 -0.79 116.42 115.35 1hb6 h ASP 21 Ca -0.47 0.05 0.03 0.00 0.02 0.00 0.00 57.03 56.66 1hb6 h ASP 21 Cb 1.27 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 40.76 1hb6 h ASP 21 CO 0.55 0.25 0.46 -0.08 -1.72 0.00 0.00 179.24 178.70 1hb6 h GLU 22 N 0.56 0.88 -0.36 3.56 4.81 -2.00 -1.68 114.58 120.35 1hb6 h GLU 22 Ca 0.31 -0.05 -0.12 0.00 -0.13 0.00 0.00 59.36 59.37 1hb6 h GLU 22 Cb 0.31 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 1hb6 h GLU 22 CO -0.25 0.58 -0.26 0.93 -0.73 0.00 0.00 179.01 179.29 1hb6 h GLU 23 N 0.90 0.74 -0.39 1.92 5.08 -1.72 -2.28 114.58 118.84 1hb6 h GLU 23 Ca 0.29 -0.31 -0.10 0.00 -1.00 0.00 0.00 59.36 58.23 1hb6 h GLU 23 Cb -0.00 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1hb6 h GLU 23 CO -0.10 0.92 -0.18 0.52 -1.00 0.00 0.00 179.01 179.17 1hb6 h MET 24 N 0.64 0.74 -0.16 2.33 2.86 -0.76 -1.58 114.93 119.00 1hb6 h MET 24 Ca 0.08 -0.27 -0.10 0.00 -2.06 0.00 0.00 59.70 57.36 1hb6 h MET 24 Cb 0.77 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.37 1hb6 h MET 24 CO 0.06 0.87 -0.33 -0.07 1.06 0.00 0.00 176.91 178.50 1hb6 h LEU 25 N 0.65 0.33 -0.34 1.22 3.38 -1.17 0.81 115.31 120.19 1hb6 h LEU 25 Ca 0.10 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 1hb6 h LEU 25 Cb 0.66 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1hb6 h LEU 25 CO 0.05 0.65 -0.10 0.15 0.09 0.00 0.00 178.44 179.27 1hb6 h PHE 26 N 0.28 0.75 -0.09 1.13 3.04 -1.05 -1.29 116.94 119.72 1hb6 h PHE 26 Ca 0.04 -0.17 -0.01 0.00 3.98 0.00 0.00 57.97 61.81 1hb6 h PHE 26 Cb 0.72 -0.18 -0.00 0.00 2.56 0.00 0.00 35.95 39.04 1hb6 h PHE 26 CO 0.02 0.84 0.03 0.82 -2.02 0.00 0.00 178.31 178.00 1hb6 h ILE 27 N 0.44 1.18 -0.13 1.41 1.08 -1.04 -2.27 117.51 118.19 1hb6 h ILE 27 Ca 0.08 -0.56 -0.00 0.00 -0.39 0.00 0.00 64.86 63.99 1hb6 h ILE 27 Cb 0.61 1.38 -0.01 0.00 -3.07 0.00 0.00 36.82 35.74 1hb6 h ILE 27 CO 0.04 0.16 0.08 0.22 -0.69 0.00 0.00 178.15 177.96 1hb6 h TYR 28 N -0.05 0.17 -0.65 1.37 3.20 -0.81 -1.71 116.97 118.49 1hb6 h TYR 28 Ca 0.03 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.85 1hb6 h TYR 28 Cb 0.23 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.42 1hb6 h TYR 28 CO 0.00 0.14 0.20 0.66 -1.64 0.00 0.00 178.16 177.52 1hb6 h SER 29 N 0.15 0.95 0.52 -2.11 4.64 -1.24 -2.46 113.55 113.99 1hb6 h SER 29 Ca 0.05 -0.21 -0.14 0.00 -0.47 0.00 0.00 61.79 61.02 1hb6 h SER 29 Cb 0.02 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 61.84 1hb6 h SER 29 CO -0.01 0.91 -0.62 0.45 -0.87 0.00 0.00 176.83 176.68 1hb6 h HIS 30 N 0.94 0.13 -0.38 4.77 3.86 -1.37 -1.61 115.15 121.50 1hb6 h HIS 30 Ca 0.21 -0.05 -0.02 0.00 -1.16 0.00 0.00 60.37 59.35 1hb6 h HIS 30 Cb 0.30 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 28.73 1hb6 h HIS 30 CO 0.02 0.70 0.18 -0.92 0.86 0.00 0.00 177.93 178.77 1hb6 h TYR 31 N 0.07 0.55 -0.30 2.45 3.20 -1.13 -0.99 116.97 120.82 1hb6 h TYR 31 Ca -0.01 -0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.79 1hb6 h TYR 31 Cb 1.12 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 39.20 1hb6 h TYR 31 CO 0.01 0.47 0.04 0.87 -1.64 0.00 0.00 178.16 177.91 1hb6 h LYS 32 N 0.47 0.51 -0.43 1.82 1.79 -1.33 -2.37 116.57 117.03 1hb6 h LYS 32 Ca 0.13 -0.14 -0.01 0.00 -2.18 0.00 0.00 60.65 58.45 1hb6 h LYS 32 Cb 0.13 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 30.70 1hb6 h LYS 32 CO -0.02 0.62 0.21 0.37 -1.08 0.00 0.00 179.45 179.55 1hb6 h GLN 33 N 0.33 0.59 0.00 3.15 5.75 -1.14 0.10 115.11 123.89 1hb6 h GLN 33 Ca 0.09 -0.06 -0.08 0.00 -0.15 0.00 0.00 58.65 58.44 1hb6 h GLN 33 Cb 0.36 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.78 1hb6 h GLN 33 CO 0.01 0.46 -0.43 0.00 -2.65 0.00 0.00 178.83 176.22 1hb6 h ALA 34 N 1.64 0.74 0.00 3.38 0.00 -1.07 -2.89 119.26 121.06 1hb6 h ALA 34 Ca 0.15 -0.37 -0.24 0.00 0.00 0.00 0.00 54.91 54.45 1hb6 h ALA 34 Cb 0.06 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1hb6 h ALA 34 CO -0.02 0.50 -1.77 0.25 0.00 0.00 0.00 179.25 178.21 1hb6 n THR 35 N -3.19 1.44 0.06 0.00 -2.24 -0.90 -4.75 114.28 104.70 1hb6 n THR 35 Ca 0.02 -0.13 -0.23 0.00 -2.27 0.00 0.00 64.05 61.44 1hb6 n THR 35 Cb 0.69 -2.04 -0.15 0.00 -2.10 0.00 0.00 70.33 66.73 1hb6 n THR 35 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1hb6 h VAL 36 N -0.92 0.97 0.00 2.28 2.07 -1.02 -3.51 116.25 116.12 1hb6 h VAL 36 Ca -0.36 -2.49 0.00 0.00 0.82 0.00 0.00 66.70 64.66 1hb6 h VAL 36 Cb 1.28 2.77 0.00 0.00 -1.52 0.00 0.00 31.29 33.82 1hb6 h VAL 36 CO -0.22 0.83 0.00 0.61 0.02 0.00 0.00 177.57 178.81 1hb6 n GLY 37 N 1.83 0.24 3.70 2.17 0.00 -0.93 -4.98 105.19 107.23 1hb6 n GLY 37 Ca -0.24 -1.84 -0.43 0.00 0.00 0.00 0.00 46.02 43.51 1hb6 n GLY 37 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1hb6 n ASP 38 N 0.00 3.05 -4.59 1.61 8.00 -1.26 -4.24 116.55 119.12 1hb6 n ASP 38 Ca 0.00 1.17 -0.51 0.00 0.71 0.00 0.00 54.79 56.17 1hb6 n ASP 38 Cb 0.00 -1.50 -0.05 0.00 -0.02 0.00 0.00 41.12 39.55 1hb6 n ASP 38 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1hb6 n ILE 39 N 1.27 0.27 -1.85 0.53 3.06 -1.26 -4.89 119.36 116.49 1hb6 n ILE 39 Ca 0.08 -0.07 0.04 0.00 -2.50 0.00 0.00 62.75 60.30 1hb6 n ILE 39 Cb 0.35 -0.87 0.08 0.00 0.54 0.00 0.00 39.64 39.74 1hb6 n ILE 39 CO 0.00 0.00 0.00 -0.46 -2.50 0.00 0.00 176.55 173.59 1hb6 n ASN 40 N 2.41 1.13 -4.61 9.51 6.94 -1.26 -5.08 115.26 124.30 1hb6 n ASN 40 Ca 0.17 -2.62 -0.26 0.00 -0.02 0.00 0.00 54.58 51.85 1hb6 n ASN 40 Cb 0.21 -0.34 -0.10 0.00 -2.36 0.00 0.00 39.78 37.19 1hb6 n ASN 40 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1hb6 s THR 41 N -1.28 2.22 0.09 5.53 -4.23 -1.26 -5.13 115.64 111.59 1hb6 s THR 41 Ca 0.24 -2.02 -0.22 0.00 -1.18 0.00 0.00 61.69 58.51 1hb6 s THR 41 Cb 0.24 -2.86 -0.07 0.00 1.34 0.00 0.00 72.50 71.15 1hb6 s THR 41 CO -0.05 -0.10 0.66 -0.70 -0.54 0.00 0.00 174.62 173.89 1hb6 s GLU 42 N -3.71 4.36 0.25 3.99 2.12 -1.26 -5.03 118.70 119.43 1hb6 s GLU 42 Ca 0.35 0.91 -0.30 0.00 0.36 0.00 0.00 54.97 56.29 1hb6 s GLU 42 Cb 0.05 -3.27 -0.10 0.00 0.26 0.00 0.00 34.13 31.07 1hb6 s GLU 42 CO 0.18 0.56 1.45 0.50 -0.54 0.00 0.00 175.26 177.41 1hb6 s ARG 43 N -0.94 4.26 0.91 4.30 3.52 -1.26 -4.97 118.95 124.77 1hb6 s ARG 43 Ca 0.32 2.31 -0.10 0.00 -0.13 0.00 0.00 55.73 58.13 1hb6 s ARG 43 Cb -0.21 -3.10 0.14 0.00 -1.56 0.00 0.00 34.95 30.22 1hb6 s ARG 43 CO 0.22 -0.43 1.15 -2.30 -0.81 0.00 0.00 175.30 173.13 1hb6 n PRO 44 N 2.31 -0.41 -0.89 5.12 -0.02 -1.26 -5.01 135.00 134.84 1hb6 n PRO 44 Ca 0.07 -0.05 -0.30 0.00 -2.02 0.00 0.00 63.50 61.20 1hb6 n PRO 44 Cb 0.40 -2.38 0.24 0.00 -0.02 0.00 0.00 33.50 31.74 1hb6 n PRO 44 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1hb6 s GLY 45 N -2.59 1.54 0.21 -1.23 0.00 -1.26 -4.84 107.32 99.15 1hb6 s GLY 45 Ca 0.68 -0.76 -0.10 0.00 0.00 0.00 0.00 44.72 44.53 1hb6 s GLY 45 CO 0.57 0.10 1.69 1.98 0.00 0.00 0.00 173.10 177.44 1hb6 h MET 46 N -2.68 0.20 0.00 2.90 4.05 -2.04 -2.58 114.93 114.78 1hb6 h MET 46 Ca -0.48 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 58.93 1hb6 h MET 46 Cb 1.31 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 32.07 1hb6 h MET 46 CO 0.38 0.13 0.00 1.28 0.23 0.00 0.00 176.91 178.93 1hb6 n LEU 47 N -5.19 0.23 -4.10 3.39 4.32 -1.26 -4.27 117.00 110.12 1hb6 n LEU 47 Ca 0.09 0.53 -0.43 0.00 -0.02 0.00 0.00 56.01 56.18 1hb6 n LEU 47 Cb 0.34 -0.47 0.00 0.00 -1.62 0.00 0.00 43.42 41.67 1hb6 n LEU 47 CO 0.15 -0.15 1.54 -0.67 -1.22 0.00 0.00 177.39 177.04 1hb6 n ASP 48 N -1.72 5.41 -0.23 -1.43 2.03 -0.97 -4.81 116.55 114.83 1hb6 n ASP 48 Ca 0.05 -3.12 -0.06 0.00 0.52 0.00 0.00 54.79 52.18 1hb6 n ASP 48 Cb 0.31 -1.46 0.04 0.00 -0.72 0.00 0.00 41.12 39.29 1hb6 n ASP 48 CO 0.00 0.00 0.00 -0.26 -1.92 0.00 0.00 177.20 175.02 1hb6 h PHE 49 N 6.15 0.83 -0.43 -0.67 0.04 -1.82 -0.75 116.94 120.29 1hb6 h PHE 49 Ca 0.32 0.01 -0.11 0.00 2.80 0.00 0.00 57.97 60.99 1hb6 h PHE 49 Cb 0.72 -0.28 -0.02 0.00 2.20 0.00 0.00 35.95 38.57 1hb6 h PHE 49 CO 1.12 0.55 -0.17 0.87 -0.60 0.00 0.00 178.31 180.08 1hb6 h LYS 50 N 0.87 0.81 -0.39 1.51 1.57 -1.97 -2.32 116.57 116.66 1hb6 h LYS 50 Ca 0.23 -0.30 -0.13 0.00 -1.87 0.00 0.00 60.65 58.58 1hb6 h LYS 50 Cb -0.06 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1hb6 h LYS 50 CO -0.05 0.92 -0.27 0.78 -0.57 0.00 0.00 179.45 180.27 1hb6 h GLY 51 N 0.96 0.89 1.09 3.86 0.00 -1.89 -2.43 103.07 105.55 1hb6 h GLY 51 Ca 0.11 -0.80 -0.09 0.00 0.00 0.00 0.00 47.33 46.55 1hb6 h GLY 51 CO 0.05 0.73 0.05 0.50 0.00 0.00 0.00 176.54 177.87 1hb6 h LYS 52 N 0.70 1.10 -0.50 4.80 1.57 -1.00 -1.04 116.57 122.20 1hb6 h LYS 52 Ca 0.09 -0.32 -0.03 0.00 -1.87 0.00 0.00 60.65 58.51 1hb6 h LYS 52 Cb 0.80 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.98 1hb6 h LYS 52 CO 0.07 1.04 0.18 0.00 -0.57 0.00 0.00 179.45 180.17 1hb6 h ALA 53 N 1.02 0.65 -0.53 3.86 0.00 -1.30 0.32 119.26 123.28 1hb6 h ALA 53 Ca 0.19 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 1hb6 h ALA 53 Cb 0.51 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1hb6 h ALA 53 CO 0.02 0.28 -0.08 0.87 0.00 0.00 0.00 179.25 180.34 1hb6 h LYS 54 N 0.66 0.98 -0.24 0.00 1.57 -1.31 -2.10 116.57 116.13 1hb6 h LYS 54 Ca 0.16 -0.34 -0.02 0.00 -1.87 0.00 0.00 60.65 58.59 1hb6 h LYS 54 Cb 0.23 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 1hb6 h LYS 54 CO -0.01 1.01 0.08 2.35 -0.57 0.00 0.00 179.45 182.31 1hb6 h TRP 55 N 0.88 0.38 -0.80 -1.35 7.01 -0.91 -2.52 115.95 118.64 1hb6 h TRP 55 Ca 0.14 -0.04 -0.01 0.00 2.11 0.00 0.00 58.89 61.10 1hb6 h TRP 55 Cb 0.62 -0.11 -0.04 0.00 -2.10 0.00 0.00 29.16 27.53 1hb6 h TRP 55 CO 0.04 0.43 0.46 -0.44 -2.79 0.00 0.00 178.44 176.14 1hb6 h ASP 56 N 0.23 0.98 -0.55 2.65 3.32 -0.84 0.44 116.42 122.65 1hb6 h ASP 56 Ca 0.08 -0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.03 1hb6 h ASP 56 Cb 0.22 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 1hb6 h ASP 56 CO -0.00 0.77 0.24 0.00 -1.72 0.00 0.00 179.24 178.52 1hb6 h ALA 57 N 1.39 0.71 -0.36 3.45 0.00 -1.23 -1.24 119.26 121.98 1hb6 h ALA 57 Ca 0.28 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 1hb6 h ALA 57 Cb -0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1hb6 h ALA 57 CO -0.05 0.30 -0.22 2.35 0.00 0.00 0.00 179.25 181.64 1hb6 h TRP 58 N 0.74 0.91 -0.96 0.00 7.01 -1.09 -3.04 115.95 119.52 1hb6 h TRP 58 Ca 0.18 -0.24 0.07 0.00 2.11 0.00 0.00 58.89 61.02 1hb6 h TRP 58 Cb 0.17 -0.21 -0.07 0.00 -2.10 0.00 0.00 29.16 26.95 1hb6 h TRP 58 CO 0.00 0.99 0.61 -0.97 -2.79 0.00 0.00 178.44 176.29 1hb6 h ASN 59 N 0.57 0.97 -0.09 2.65 -1.24 -0.64 -1.18 115.58 116.62 1hb6 h ASN 59 Ca 0.08 0.02 0.03 0.00 0.71 0.00 0.00 56.30 57.13 1hb6 h ASN 59 Cb 0.77 -0.19 -0.00 0.00 0.73 0.00 0.00 38.32 39.63 1hb6 h ASN 59 CO 0.06 0.61 0.10 -0.08 -1.29 0.00 0.00 177.43 176.82 1hb6 h GLU 60 N 1.10 0.00 -0.07 6.67 4.81 -1.11 -1.59 114.58 124.38 1hb6 h GLU 60 Ca 0.42 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.65 1hb6 h GLU 60 Cb 0.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.59 1hb6 h GLU 60 CO -0.19 0.00 0.00 1.28 -0.73 0.00 0.00 179.01 179.37 1hb6 n LEU 61 N -3.91 0.99 -4.64 1.64 4.77 -0.45 -4.94 117.00 110.47 1hb6 n LEU 61 Ca -0.01 -0.39 -0.48 0.00 -0.03 0.00 0.00 56.01 55.11 1hb6 n LEU 61 Cb 0.20 -0.04 -0.05 0.00 -2.33 0.00 0.00 43.42 41.20 1hb6 n LEU 61 CO 0.28 0.19 1.08 1.17 -1.33 0.00 0.00 177.39 178.78 1hb6 n LYS 62 N -0.16 1.78 0.00 3.23 4.81 -0.60 -1.37 118.16 125.84 1hb6 n LYS 62 Ca 0.17 0.64 0.00 0.00 -0.87 0.00 0.00 58.31 58.26 1hb6 n LYS 62 Cb 0.24 -2.36 0.00 0.00 0.02 0.00 0.00 35.03 32.93 1hb6 n LYS 62 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1hb6 n GLY 63 N 3.05 1.41 3.73 3.14 0.00 -1.26 -5.06 105.19 110.19 1hb6 n GLY 63 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1hb6 n GLY 63 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hb6 s THR 64 N -2.35 4.10 0.57 2.61 2.01 -0.47 -5.01 115.64 117.09 1hb6 s THR 64 Ca 0.00 1.66 -0.18 0.00 0.31 0.00 0.00 61.69 63.48 1hb6 s THR 64 Cb 0.00 -4.06 -0.05 0.00 0.01 0.00 0.00 72.50 68.40 1hb6 s THR 64 CO 0.00 0.21 1.11 -0.94 -0.69 0.00 0.00 174.62 174.32 1hb6 s SER 65 N 0.42 5.64 0.42 3.53 1.04 -1.26 -4.83 113.70 118.65 1hb6 s SER 65 Ca 0.52 2.10 0.08 0.00 0.48 0.00 0.00 55.95 59.13 1hb6 s SER 65 Cb -0.28 -2.57 0.88 0.00 0.10 0.00 0.00 66.02 64.16 1hb6 s SER 65 CO 0.32 -1.27 2.05 0.11 0.98 0.00 0.00 173.24 175.43 1hb6 h LYS 66 N 0.93 0.46 -0.27 4.02 1.57 -1.90 -0.72 116.57 120.66 1hb6 h LYS 66 Ca -0.49 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.23 1hb6 h LYS 66 Cb 1.25 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.45 1hb6 h LYS 66 CO 0.56 0.33 0.08 0.93 -0.57 0.00 0.00 179.45 180.79 1hb6 h GLU 67 N 0.47 0.42 -0.54 3.15 3.07 -1.91 0.03 114.58 119.26 1hb6 h GLU 67 Ca 0.12 -0.09 -0.10 0.00 -0.50 0.00 0.00 59.36 58.79 1hb6 h GLU 67 Cb -0.01 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 27.83 1hb6 h GLU 67 CO -0.02 0.49 -0.07 -0.44 -1.40 0.00 0.00 179.01 177.56 1hb6 h ASP 68 N 0.27 1.00 -0.62 1.42 3.32 -1.80 -2.21 116.42 117.79 1hb6 h ASP 68 Ca 0.09 -0.34 -0.01 0.00 0.02 0.00 0.00 57.03 56.79 1hb6 h ASP 68 Cb 0.24 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.50 1hb6 h ASP 68 CO -0.00 1.10 0.34 0.00 -1.72 0.00 0.00 179.24 178.96 1hb6 h ALA 69 N 0.93 0.80 -0.58 3.45 0.00 -0.98 -1.34 119.26 121.54 1hb6 h ALA 69 Ca 0.14 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1hb6 h ALA 69 Cb 0.63 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1hb6 h ALA 69 CO 0.04 0.31 0.32 0.52 0.00 0.00 0.00 179.25 180.44 1hb6 h MET 70 N 0.85 0.82 -0.21 0.00 2.86 -0.83 -0.09 114.93 118.32 1hb6 h MET 70 Ca 0.22 -0.10 -0.00 0.00 -2.06 0.00 0.00 59.70 57.76 1hb6 h MET 70 Cb 0.04 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.53 1hb6 h MET 70 CO -0.04 0.63 0.11 -0.22 1.06 0.00 0.00 176.91 178.46 1hb6 h LYS 71 N 0.79 0.29 -0.44 1.72 1.63 -1.11 -0.90 116.57 118.55 1hb6 h LYS 71 Ca 0.20 -0.03 -0.06 0.00 -0.85 0.00 0.00 60.65 59.91 1hb6 h LYS 71 Cb 0.05 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.60 1hb6 h LYS 71 CO -0.03 0.28 0.02 0.00 -3.45 0.00 0.00 179.45 176.26 1hb6 h ALA 72 N 1.00 1.21 0.21 5.00 0.00 -1.08 -1.35 119.26 124.25 1hb6 h ALA 72 Ca 0.07 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1hb6 h ALA 72 Cb 0.07 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1hb6 h ALA 72 CO -0.01 0.52 -0.10 -0.92 0.00 0.00 0.00 179.25 178.74 1hb6 h TYR 73 N 0.67 -0.26 -0.64 0.00 3.20 -0.71 -2.10 116.97 117.13 1hb6 h TYR 73 Ca 0.14 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.01 1hb6 h TYR 73 Cb 0.39 0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.71 1hb6 h TYR 73 CO 0.02 0.04 0.42 0.82 -1.64 0.00 0.00 178.16 177.82 1hb6 h ILE 74 N -0.57 1.14 -0.92 1.81 2.04 -1.10 -1.89 117.51 118.02 1hb6 h ILE 74 Ca -0.03 -0.29 0.01 0.00 1.00 0.00 0.00 64.86 65.55 1hb6 h ILE 74 Cb 0.42 0.22 -0.05 0.00 -0.74 0.00 0.00 36.82 36.68 1hb6 h ILE 74 CO 0.05 0.15 0.61 0.44 0.00 0.00 0.00 178.15 179.40 1hb6 h ASP 75 N 0.85 1.05 -0.53 1.72 3.32 -1.23 -1.93 116.42 119.65 1hb6 h ASP 75 Ca 0.24 -0.02 -0.12 0.00 0.02 0.00 0.00 57.03 57.15 1hb6 h ASP 75 Cb -0.07 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.21 1hb6 h ASP 75 CO -0.06 0.75 -0.13 0.50 -1.72 0.00 0.00 179.24 178.58 1hb6 h LYS 76 N 1.23 1.03 -0.75 3.56 1.63 -1.01 -2.03 116.57 120.24 1hb6 h LYS 76 Ca 0.34 -0.39 -0.05 0.00 -0.85 0.00 0.00 60.65 59.70 1hb6 h LYS 76 Cb -0.12 -0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 31.42 1hb6 h LYS 76 CO -0.08 1.08 0.29 0.28 -3.45 0.00 0.00 179.45 177.57 1hb6 h VAL 77 N 0.91 1.26 -0.55 2.00 2.07 -0.99 0.85 116.25 121.81 1hb6 h VAL 77 Ca 0.14 -0.81 -0.05 0.00 0.82 0.00 0.00 66.70 66.79 1hb6 h VAL 77 Cb 0.70 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 1hb6 h VAL 77 CO 0.05 0.33 0.14 -0.33 0.02 0.00 0.00 177.57 177.78 1hb6 h GLU 78 N 1.08 0.83 -0.36 1.57 4.39 -1.21 0.11 114.58 120.99 1hb6 h GLU 78 Ca 0.25 -0.17 -0.03 0.00 0.34 0.00 0.00 59.36 59.75 1hb6 h GLU 78 Cb 0.23 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.74 1hb6 h GLU 78 CO -0.02 0.75 0.10 1.49 -1.16 0.00 0.00 179.01 180.17 1hb6 h GLU 79 N 0.81 0.58 -0.10 2.33 4.81 -0.59 -2.57 114.58 119.84 1hb6 h GLU 79 Ca 0.18 -0.13 -0.10 0.00 -0.13 0.00 0.00 59.36 59.17 1hb6 h GLU 79 Cb 0.29 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 1hb6 h GLU 79 CO -0.00 0.61 -0.40 -0.07 -0.73 0.00 0.00 179.01 178.42 1hb6 h LEU 80 N 0.44 0.23 -0.50 1.64 3.38 -0.40 -2.12 115.31 117.99 1hb6 h LEU 80 Ca 0.12 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1hb6 h LEU 80 Cb 0.28 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1hb6 h LEU 80 CO -0.00 0.62 0.27 0.11 0.09 0.00 0.00 178.44 179.53 1hb6 h LYS 81 N 0.19 0.69 -0.07 1.13 1.57 -0.54 -0.69 116.57 118.86 1hb6 h LYS 81 Ca 0.02 -0.08 -0.18 0.00 -1.87 0.00 0.00 60.65 58.54 1hb6 h LYS 81 Cb 0.79 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 1hb6 h LYS 81 CO 0.06 0.54 -0.72 1.57 -0.57 0.00 0.00 179.45 180.33 1hb6 h LYS 82 N 0.66 0.36 0.03 3.15 2.10 -1.34 0.16 116.57 121.70 1hb6 h LYS 82 Ca 0.17 -0.30 -0.00 0.00 -2.00 0.00 0.00 60.65 58.53 1hb6 h LYS 82 Cb 0.05 0.06 0.00 0.00 -0.90 0.00 0.00 32.23 31.44 1hb6 h LYS 82 CO -0.03 0.94 -0.01 -0.22 -2.00 0.00 0.00 179.45 178.13 1hb6 h LYS 83 N 0.25 -0.04 0.00 0.07 3.64 -1.19 -3.35 116.57 115.95 1hb6 h LYS 83 Ca -0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1hb6 h LYS 83 Cb 1.29 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 1hb6 h LYS 83 CO 0.12 0.49 -1.44 0.66 -2.27 0.00 0.00 179.45 177.01 1hb6 n TYR 84 N -4.85 0.09 0.00 1.91 4.01 -0.28 -5.10 117.16 112.95 1hb6 n TYR 84 Ca -0.09 0.03 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 1hb6 n TYR 84 Cb 0.28 -0.35 0.00 0.00 -0.31 0.00 0.00 39.34 38.96 1hb6 n TYR 84 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1hb6 n GLY 85 N 1.36 -2.68 0.00 2.72 0.00 0.58 -4.15 105.19 103.01 1hb6 n GLY 85 Ca -0.00 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.62 1hb6 n GLY 85 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83