#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sg7 s TYR 23 N 0.00 2.53 0.00 6.00 2.02 -1.26 -4.75 117.35 121.89 1sg7 s TYR 23 Ca 0.00 -0.28 0.00 0.00 -0.37 0.00 0.00 57.07 56.42 1sg7 s TYR 23 Cb 0.00 -1.52 0.00 0.00 -0.40 0.00 0.00 41.96 40.04 1sg7 s TYR 23 CO 0.00 0.15 0.00 1.17 -1.57 0.00 0.00 175.55 175.30 1sg7 n LYS 24 N 2.02 0.00 0.05 -0.62 3.00 -1.26 -4.99 118.16 116.36 1sg7 n LYS 24 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.15 1sg7 n LYS 24 Cb 0.52 -0.88 0.00 0.00 0.00 0.00 0.00 35.03 34.67 1sg7 n LYS 24 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1sg7 n THR 25 N -2.52 0.60 0.00 3.15 -2.24 -1.26 -5.08 114.28 106.92 1sg7 n THR 25 Ca 0.00 0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.98 1sg7 n THR 25 Cb 0.47 -1.27 0.00 0.00 -2.10 0.00 0.00 70.33 67.43 1sg7 n THR 25 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1sg7 n LYS 26 N -3.29 0.00 0.27 -0.78 5.02 -1.26 -4.79 118.16 113.34 1sg7 n LYS 26 Ca 0.00 0.00 0.18 0.00 -2.02 0.00 0.00 58.31 56.47 1sg7 n LYS 26 Cb 0.12 0.00 0.93 0.00 -0.02 0.00 0.00 35.03 36.06 1sg7 n LYS 26 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 1sg7 h SER 27 N 0.00 0.00 0.27 4.39 0.02 -1.98 0.14 113.55 116.39 1sg7 h SER 27 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1sg7 h SER 27 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1sg7 h SER 27 CO 0.00 0.00 0.00 0.44 -1.14 0.00 0.00 176.83 176.13 1sg7 h ASP 28 N 0.00 0.00 -3.54 3.07 5.19 -1.92 -3.44 116.42 115.78 1sg7 h ASP 28 Ca 0.04 0.00 -0.47 0.00 -0.62 0.00 0.00 57.03 55.98 1sg7 h ASP 28 Cb 0.42 0.00 0.21 0.00 0.18 0.00 0.00 39.33 40.14 1sg7 h ASP 28 CO -0.00 0.00 0.02 0.18 -3.12 0.00 0.00 179.24 176.32 1sg7 n LEU 29 N -2.72 0.12 -4.77 1.55 4.77 0.49 -4.75 117.00 111.69 1sg7 n LEU 29 Ca -0.01 0.04 -0.41 0.00 -0.03 0.00 0.00 56.01 55.60 1sg7 n LEU 29 Cb 0.12 -1.32 -0.02 0.00 -2.33 0.00 0.00 43.42 39.87 1sg7 n LEU 29 CO 0.18 -2.92 1.00 -2.84 -1.33 0.00 0.00 177.39 171.48 1sg7 s PRO 30 N -4.44 4.33 0.23 3.23 0.02 -1.26 -4.77 135.00 132.35 1sg7 s PRO 30 Ca 0.68 2.24 -0.07 0.00 0.02 0.00 0.00 61.00 63.87 1sg7 s PRO 30 Cb -0.24 -3.08 0.38 0.00 0.02 0.00 0.00 34.50 31.58 1sg7 s PRO 30 CO 0.63 -0.24 1.73 1.05 -0.33 0.00 0.00 177.00 179.85 1sg7 h GLU 31 N 3.68 0.41 0.00 5.54 4.11 -1.92 0.83 114.58 127.23 1sg7 h GLU 31 Ca -0.48 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 58.92 1sg7 h GLU 31 Cb 1.23 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1sg7 h GLU 31 CO 0.68 0.27 0.00 -1.13 0.07 0.00 0.00 179.01 178.90 1sg7 n SER 32 N -5.00 0.18 -0.11 3.06 3.41 -1.26 0.22 113.62 114.11 1sg7 n SER 32 Ca 0.12 0.56 -0.20 0.00 -0.26 0.00 0.00 58.87 59.09 1sg7 n SER 32 Cb 0.35 -0.59 -0.08 0.00 -0.26 0.00 0.00 64.21 63.63 1sg7 n SER 32 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1sg7 n VAL 33 N -1.72 1.51 0.17 -3.33 0.31 0.25 -4.36 118.33 111.17 1sg7 n VAL 33 Ca 0.01 -0.09 0.04 0.00 -0.01 0.00 0.00 64.34 64.30 1sg7 n VAL 33 Cb 0.10 -2.10 0.47 0.00 -0.91 0.00 0.00 33.84 31.40 1sg7 n VAL 33 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1sg7 h LYS 34 N -1.00 0.12 -0.97 5.55 1.57 -0.03 0.65 116.57 122.46 1sg7 h LYS 34 Ca -0.36 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.38 1sg7 h LYS 34 Cb 1.24 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.51 1sg7 h LYS 34 CO -0.22 0.25 0.03 0.72 -0.57 0.00 0.00 179.45 179.66 1sg7 n HIS 35 N -4.34 0.28 0.00 -1.35 8.25 0.13 -3.72 115.22 114.47 1sg7 n HIS 35 Ca -0.02 -0.32 0.00 0.00 -0.26 0.00 0.00 57.72 57.12 1sg7 n HIS 35 Cb 0.23 -0.22 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1sg7 n HIS 35 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 1sg7 n VAL 36 N 0.18 0.00 -3.16 1.59 0.24 -0.86 -4.96 118.33 111.36 1sg7 n VAL 36 Ca 0.05 0.00 -0.39 0.00 -2.04 0.00 0.00 64.34 61.96 1sg7 n VAL 36 Cb 0.47 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.79 1sg7 n VAL 36 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1sg7 s LEU 37 N -2.10 4.28 0.00 1.34 1.02 0.22 -2.10 118.68 121.35 1sg7 s LEU 37 Ca 0.00 1.00 -0.24 0.00 0.02 0.00 0.00 54.13 54.91 1sg7 s LEU 37 Cb 0.00 -2.91 0.37 0.00 0.02 0.00 0.00 46.19 43.67 1sg7 s LEU 37 CO 0.00 -0.09 0.92 -2.65 0.02 0.00 0.00 176.35 174.55 1sg7 n PRO 38 N 3.88 -4.63 0.00 1.29 -0.02 -1.26 -4.69 135.00 129.57 1sg7 n PRO 38 Ca -0.04 -1.53 0.00 0.00 -2.02 0.00 0.00 63.50 59.91 1sg7 n PRO 38 Cb 0.51 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 32.12 1sg7 n PRO 38 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1sg7 n SER 39 N -5.70 0.00 0.31 2.55 2.88 -1.26 -2.61 113.62 109.79 1sg7 n SER 39 Ca 0.14 0.81 0.17 0.00 -1.33 0.00 0.00 58.87 58.66 1sg7 n SER 39 Cb 0.61 -0.31 0.89 0.00 -0.75 0.00 0.00 64.21 64.64 1sg7 n SER 39 CO 0.00 0.00 0.00 -0.74 -1.23 0.00 0.00 175.04 173.07 1sg7 h HIS 40 N 0.00 0.00 -0.32 0.66 -0.00 -2.01 -1.61 115.15 111.88 1sg7 h HIS 40 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 60.37 60.20 1sg7 h HIS 40 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.41 1sg7 h HIS 40 CO -0.08 0.00 -0.46 0.00 -0.00 0.00 0.00 177.93 177.39 1sg7 h ALA 41 N 1.59 0.58 -0.65 5.26 0.00 -1.83 -1.89 119.26 122.32 1sg7 h ALA 41 Ca 0.00 -0.48 -0.07 0.00 0.00 0.00 0.00 54.91 54.36 1sg7 h ALA 41 Cb 0.39 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1sg7 h ALA 41 CO 0.00 0.68 0.12 1.96 0.00 0.00 0.00 179.25 182.00 1sg7 h GLN 42 N 0.67 1.06 -0.79 0.00 4.20 -1.06 0.72 115.11 119.91 1sg7 h GLN 42 Ca 0.04 -0.28 -0.00 0.00 0.06 0.00 0.00 58.65 58.47 1sg7 h GLN 42 Cb 1.05 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 28.66 1sg7 h GLN 42 CO 0.10 0.97 0.48 0.22 -0.67 0.00 0.00 178.83 179.94 1sg7 h ASP 43 N 0.98 0.95 0.63 1.46 1.82 -1.54 0.53 116.42 121.24 1sg7 h ASP 43 Ca 0.20 -0.06 -0.03 0.00 -0.39 0.00 0.00 57.03 56.74 1sg7 h ASP 43 Cb 0.42 -0.24 0.01 0.00 0.68 0.00 0.00 39.33 40.19 1sg7 h ASP 43 CO 0.01 0.73 -0.30 0.40 -1.61 0.00 0.00 179.24 178.47 1sg7 h ILE 44 N 1.09 0.35 -0.02 2.25 2.04 -0.64 0.13 117.51 122.71 1sg7 h ILE 44 Ca 0.29 -0.13 0.02 0.00 1.00 0.00 0.00 64.86 66.03 1sg7 h ILE 44 Cb -0.05 0.39 -0.04 0.00 -0.74 0.00 0.00 36.82 36.38 1sg7 h ILE 44 CO -0.05 0.02 -0.42 0.22 0.00 0.00 0.00 178.15 177.92 1sg7 h TYR 45 N -0.93 -1.23 -0.17 1.37 5.03 0.89 0.26 116.97 122.19 1sg7 h TYR 45 Ca -0.09 0.04 0.05 0.00 2.58 0.00 0.00 58.73 61.31 1sg7 h TYR 45 Cb 0.68 0.54 -0.05 0.00 1.55 0.00 0.00 36.73 39.44 1sg7 h TYR 45 CO -0.02 -0.44 -0.16 -0.22 -1.32 0.00 0.00 178.16 176.00 1sg7 h LYS 46 N -0.51 -0.17 -1.01 1.82 3.64 0.03 0.62 116.57 120.99 1sg7 h LYS 46 Ca 0.01 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.46 1sg7 h LYS 46 Cb 0.55 0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.35 1sg7 h LYS 46 CO -0.29 -0.12 0.65 0.93 -2.27 0.00 0.00 179.45 178.36 1sg7 h GLU 47 N -0.18 1.16 -0.12 1.90 4.39 -0.43 0.39 114.58 121.69 1sg7 h GLU 47 Ca 0.11 -0.07 -0.22 0.00 0.34 0.00 0.00 59.36 59.52 1sg7 h GLU 47 Cb 0.34 -0.26 0.01 0.00 -0.10 0.00 0.00 28.75 28.74 1sg7 h GLU 47 CO -0.28 0.77 -0.78 0.00 -1.16 0.00 0.00 179.01 177.55 1sg7 h ALA 48 N 1.45 0.38 -0.07 3.43 0.00 0.17 -2.71 119.26 121.92 1sg7 h ALA 48 Ca 0.43 -0.61 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1sg7 h ALA 48 Cb 0.14 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1sg7 h ALA 48 CO -0.17 0.71 0.04 0.35 0.00 0.00 0.00 179.25 180.18 1sg7 h PHE 49 N 0.46 0.09 -0.63 0.00 3.04 0.11 -2.24 116.94 117.76 1sg7 h PHE 49 Ca -0.05 -0.00 0.09 0.00 3.98 0.00 0.00 57.97 61.99 1sg7 h PHE 49 Cb 1.40 -0.03 -0.07 0.00 2.56 0.00 0.00 35.95 39.81 1sg7 h PHE 49 CO 0.08 0.12 0.27 -0.91 -2.02 0.00 0.00 178.31 175.85 1sg7 h ASN 50 N 0.03 0.32 -0.45 0.41 -0.26 -0.26 0.51 115.58 115.89 1sg7 h ASN 50 Ca 0.02 0.07 0.05 0.00 -0.56 0.00 0.00 56.30 55.88 1sg7 h ASN 50 Cb 0.06 0.02 -0.05 0.00 -1.06 0.00 0.00 38.32 37.29 1sg7 h ASN 50 CO -0.00 0.19 0.17 -1.28 -1.06 0.00 0.00 177.43 175.45 1sg7 h SER 51 N 0.48 0.19 0.54 5.81 0.87 -1.19 0.59 113.55 120.86 1sg7 h SER 51 Ca 0.31 0.05 -0.10 0.00 -1.23 0.00 0.00 61.79 60.82 1sg7 h SER 51 Cb 0.35 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.32 1sg7 h SER 51 CO -0.28 0.14 -0.49 0.00 -0.53 0.00 0.00 176.83 175.67 1sg7 h ALA 52 N 1.29 1.14 0.04 6.23 0.00 -0.70 0.49 119.26 127.74 1sg7 h ALA 52 Ca 0.21 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1sg7 h ALA 52 Cb 0.19 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1sg7 h ALA 52 CO -0.20 0.62 -0.02 2.35 0.00 0.00 0.00 179.25 181.99 1sg7 h TRP 53 N 0.00 -0.05 -0.08 0.00 7.01 0.16 -0.67 115.95 122.33 1sg7 h TRP 53 Ca -0.00 -0.00 -0.15 0.00 2.11 0.00 0.00 58.89 60.85 1sg7 h TRP 53 Cb 0.90 0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 27.96 1sg7 h TRP 53 CO 0.00 0.32 -0.60 0.22 -2.79 0.00 0.00 178.44 175.60 1sg7 h ASP 54 N -0.43 0.29 0.61 2.65 1.82 0.21 -2.85 116.42 118.71 1sg7 h ASP 54 Ca -0.01 -0.16 -0.04 0.00 -0.39 0.00 0.00 57.03 56.43 1sg7 h ASP 54 Cb 0.40 -0.08 -0.01 0.00 0.68 0.00 0.00 39.33 40.32 1sg7 h ASP 54 CO 0.01 0.82 -0.20 1.56 -1.61 0.00 0.00 179.24 179.82 1sg7 h GLN 55 N 0.19 0.00 -2.30 0.28 4.20 0.04 -3.27 115.11 114.25 1sg7 h GLN 55 Ca -0.01 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.64 1sg7 h GLN 55 Cb 1.10 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.86 1sg7 h GLN 55 CO 0.09 0.20 0.02 0.98 -0.67 0.00 0.00 178.83 179.45 1sg7 n TYR 56 N -3.56 0.00 1.40 2.96 9.36 -0.26 -4.30 117.16 122.75 1sg7 n TYR 56 Ca -0.01 -0.69 0.12 0.00 3.32 0.00 0.00 57.90 60.64 1sg7 n TYR 56 Cb 0.34 -0.79 0.68 0.00 -0.63 0.00 0.00 39.34 38.93 1sg7 n TYR 56 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 1sg7 n LYS 57 N 2.37 0.66 0.08 2.98 4.76 -1.24 -1.06 118.16 126.71 1sg7 n LYS 57 Ca 0.14 0.01 -0.09 0.00 -2.87 0.00 0.00 58.31 55.51 1sg7 n LYS 57 Cb 0.40 -1.50 0.01 0.00 -1.84 0.00 0.00 35.03 32.10 1sg7 n LYS 57 CO 0.00 0.00 0.00 0.22 -1.37 0.00 0.00 177.40 176.25 1sg7 h ASP 58 N 0.00 0.32 0.00 4.39 3.58 -1.93 -3.43 116.42 119.35 1sg7 h ASP 58 Ca 0.00 -0.24 -0.06 0.00 0.42 0.00 0.00 57.03 57.15 1sg7 h ASP 58 Cb 0.04 -0.10 -0.07 0.00 1.72 0.00 0.00 39.33 40.92 1sg7 h ASP 58 CO 0.00 1.02 0.20 1.17 -2.88 0.00 0.00 179.24 178.75 1sg7 n LYS 59 N -3.71 0.08 0.01 0.28 3.00 -1.16 -5.05 118.16 111.60 1sg7 n LYS 59 Ca -0.04 -0.49 -0.10 0.00 -0.00 0.00 0.00 58.31 57.68 1sg7 n LYS 59 Cb 0.78 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 35.73 1sg7 n LYS 59 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.40 178.45 1sg7 h GLU 60 N 0.88 -0.13 -1.22 1.64 -0.00 -1.37 -3.37 114.58 111.01 1sg7 h GLU 60 Ca -0.51 0.01 -0.66 0.00 -0.00 0.00 0.00 59.36 58.20 1sg7 h GLU 60 Cb 1.19 0.03 -0.34 0.00 -0.00 0.00 0.00 28.75 29.64 1sg7 h GLU 60 CO -0.19 0.38 0.31 -3.47 -0.00 0.00 0.00 179.01 176.04 1sg7 n ASP 61 N -4.83 6.64 0.00 3.06 2.03 -1.26 -3.90 116.55 118.28 1sg7 n ASP 61 Ca -0.07 -3.78 0.00 0.00 0.52 0.00 0.00 54.79 51.45 1sg7 n ASP 61 Cb 0.28 -0.78 0.00 0.00 -0.72 0.00 0.00 41.12 39.90 1sg7 n ASP 61 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1sg7 n ARG 62 N -0.73 0.00 -0.09 -0.67 5.12 -1.26 -5.01 116.66 114.02 1sg7 n ARG 62 Ca 0.53 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 56.33 1sg7 n ARG 62 Cb 0.64 0.00 -0.14 0.00 -1.16 0.00 0.00 32.46 31.80 1sg7 n ARG 62 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 1sg7 n ARG 63 N 0.00 0.68 -2.47 5.56 1.85 -1.26 -4.55 116.66 116.46 1sg7 n ARG 63 Ca 0.00 0.09 -0.37 0.00 -1.00 0.00 0.00 57.85 56.58 1sg7 n ARG 63 Cb 0.00 -1.57 0.01 0.00 -1.05 0.00 0.00 32.46 29.85 1sg7 n ARG 63 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 1sg7 n ASP 64 N -2.98 6.63 0.03 2.89 5.75 -1.26 -4.78 116.55 122.83 1sg7 n ASP 64 Ca -0.34 -3.73 0.09 0.00 -0.01 0.00 0.00 54.79 50.80 1sg7 n ASP 64 Cb 1.09 -0.96 0.53 0.00 -1.03 0.00 0.00 41.12 40.75 1sg7 n ASP 64 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 1sg7 h ASP 65 N 3.48 0.28 -0.69 -1.12 5.19 -1.78 -1.72 116.42 120.05 1sg7 h ASP 65 Ca 0.45 -0.00 0.07 0.00 -0.62 0.00 0.00 57.03 56.93 1sg7 h ASP 65 Cb 0.33 -0.06 -0.06 0.00 0.18 0.00 0.00 39.33 39.72 1sg7 h ASP 65 CO 1.15 0.18 0.38 0.00 -3.12 0.00 0.00 179.24 177.83 1sg7 h ALA 66 N 1.79 0.94 -0.69 3.45 0.00 -1.86 -1.08 119.26 121.81 1sg7 h ALA 66 Ca 0.17 0.03 0.13 0.00 0.00 0.00 0.00 54.91 55.24 1sg7 h ALA 66 Cb 0.28 -0.10 -0.09 0.00 0.00 0.00 0.00 17.79 17.87 1sg7 h ALA 66 CO -0.04 0.03 0.21 1.03 0.00 0.00 0.00 179.25 180.48 1sg7 h SER 67 N 0.67 0.12 0.49 0.00 0.87 -1.67 1.20 113.55 115.23 1sg7 h SER 67 Ca 0.32 0.12 -0.02 0.00 -1.23 0.00 0.00 61.79 60.98 1sg7 h SER 67 Cb 0.25 0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.34 1sg7 h SER 67 CO -0.21 0.04 -0.37 -0.09 -0.53 0.00 0.00 176.83 175.67 1sg7 h ARG 68 N 0.34 -0.79 -0.66 2.24 1.12 -1.26 0.36 114.38 115.72 1sg7 h ARG 68 Ca 0.38 0.05 0.14 0.00 -1.11 0.00 0.00 59.98 59.44 1sg7 h ARG 68 Cb 0.58 0.18 -0.12 0.00 -0.01 0.00 0.00 29.97 30.61 1sg7 h ARG 68 CO -0.43 -0.53 -0.03 1.49 -3.11 0.00 0.00 179.97 177.37 1sg7 h GLU 69 N -0.82 0.08 0.10 0.20 4.81 -0.63 0.15 114.58 118.47 1sg7 h GLU 69 Ca -0.06 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.17 1sg7 h GLU 69 Cb 0.68 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.01 1sg7 h GLU 69 CO 0.02 0.06 -0.34 1.49 -0.73 0.00 0.00 179.01 179.50 1sg7 h GLU 70 N 0.09 -0.48 -0.48 1.92 4.57 0.19 0.82 114.58 121.21 1sg7 h GLU 70 Ca 0.35 0.03 0.10 0.00 -1.18 0.00 0.00 59.36 58.66 1sg7 h GLU 70 Cb 0.57 0.11 -0.09 0.00 -0.16 0.00 0.00 28.75 29.18 1sg7 h GLU 70 CO -0.60 -0.32 -0.11 1.15 -1.18 0.00 0.00 179.01 177.95 1sg7 h THR 71 N -0.50 0.53 -0.66 0.32 2.02 0.59 0.99 112.91 116.20 1sg7 h THR 71 Ca -0.01 -0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.30 1sg7 h THR 71 Cb 0.50 0.52 -0.10 0.00 -1.74 0.00 0.00 68.15 67.33 1sg7 h THR 71 CO -0.18 0.00 0.13 0.00 0.37 0.00 0.00 175.52 175.85 1sg7 h ALA 72 N 1.48 0.80 -0.38 6.16 0.00 -0.28 0.68 119.26 127.72 1sg7 h ALA 72 Ca 0.23 0.15 0.07 0.00 0.00 0.00 0.00 54.91 55.37 1sg7 h ALA 72 Cb 0.36 0.22 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 1sg7 h ALA 72 CO -0.49 -0.33 -0.01 0.45 0.00 0.00 0.00 179.25 178.88 1sg7 h HIS 73 N 0.25 -0.04 -0.58 0.00 -0.00 0.15 0.59 115.15 115.52 1sg7 h HIS 73 Ca 0.36 0.03 0.03 0.00 -0.00 0.00 0.00 60.37 60.78 1sg7 h HIS 73 Cb 0.57 0.08 -0.04 0.00 -0.00 0.00 0.00 27.41 28.02 1sg7 h HIS 73 CO -0.27 -0.08 0.35 0.87 -0.00 0.00 0.00 177.93 178.80 1sg7 h LYS 74 N 0.09 0.68 0.47 2.45 1.57 0.13 -1.61 116.57 120.35 1sg7 h LYS 74 Ca 0.18 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.90 1sg7 h LYS 74 Cb 0.26 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1sg7 h LYS 74 CO -0.32 0.45 -0.23 0.28 -0.57 0.00 0.00 179.45 179.06 1sg7 h VAL 75 N 0.70 0.34 -0.86 0.50 2.07 0.12 -2.44 116.25 116.68 1sg7 h VAL 75 Ca 0.23 -0.50 0.21 0.00 0.82 0.00 0.00 66.70 67.46 1sg7 h VAL 75 Cb 0.02 0.49 -0.13 0.00 -1.52 0.00 0.00 31.29 30.16 1sg7 h VAL 75 CO -0.10 0.06 0.31 0.00 0.02 0.00 0.00 177.57 177.86 1sg7 h ALA 76 N -0.75 1.29 -0.56 1.67 0.00 0.18 0.50 119.26 121.59 1sg7 h ALA 76 Ca -0.07 0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1sg7 h ALA 76 Cb 0.58 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1sg7 h ALA 76 CO 0.11 -0.37 0.37 -1.49 0.00 0.00 0.00 179.25 177.87 1sg7 h TRP 77 N 0.33 0.70 -0.84 0.00 4.06 -1.29 -0.43 115.95 118.48 1sg7 h TRP 77 Ca 0.53 0.02 0.18 0.00 2.06 0.00 0.00 58.89 61.68 1sg7 h TRP 77 Cb 0.99 -0.24 -0.11 0.00 -1.00 0.00 0.00 29.16 28.81 1sg7 h TRP 77 CO -0.19 0.44 0.35 0.00 -3.56 0.00 0.00 178.44 175.47 1sg7 h ALA 78 N 1.21 1.26 -0.38 1.49 0.00 0.50 1.68 119.26 125.03 1sg7 h ALA 78 Ca 0.21 0.14 -0.05 0.00 0.00 0.00 0.00 54.91 55.21 1sg7 h ALA 78 Cb -0.08 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1sg7 h ALA 78 CO -0.05 -0.28 0.03 0.00 0.00 0.00 0.00 179.25 178.95 1sg7 h ALA 79 N 1.64 0.51 0.18 0.00 0.00 -0.67 -1.67 119.26 119.26 1sg7 h ALA 79 Ca 0.49 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1sg7 h ALA 79 Cb 0.86 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1sg7 h ALA 79 CO -0.48 0.25 -0.09 0.28 0.00 0.00 0.00 179.25 179.22 1sg7 h VAL 80 N 0.48 0.85 0.00 0.00 2.07 0.14 -1.11 116.25 118.68 1sg7 h VAL 80 Ca 0.11 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.49 1sg7 h VAL 80 Cb 0.43 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1sg7 h VAL 80 CO 0.01 0.03 0.00 0.11 0.02 0.00 0.00 177.57 177.75 1sg7 h LYS 81 N -0.31 0.00 0.03 1.57 1.57 0.23 2.73 116.57 122.39 1sg7 h LYS 81 Ca -0.03 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.57 1sg7 h LYS 81 Cb 0.24 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 1sg7 h LYS 81 CO 0.04 0.00 -0.95 1.25 -0.57 0.00 0.00 179.45 179.22 1sg7 h HIS 82 N 0.00 0.13 0.00 -1.35 2.76 -0.45 -3.38 115.15 112.86 1sg7 h HIS 82 Ca 0.00 -0.09 0.00 0.00 -2.20 0.00 0.00 60.37 58.08 1sg7 h HIS 82 Cb 0.05 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.01 1sg7 h HIS 82 CO 0.00 1.37 -0.85 0.39 -1.30 0.00 0.00 177.93 177.54 1sg7 n GLU 83 N -4.33 0.10 -4.12 5.26 1.02 -0.50 -4.22 120.64 113.85 1sg7 n GLU 83 Ca -0.24 -0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 56.75 1sg7 n GLU 83 Cb 0.69 -1.53 -0.12 0.00 -0.02 0.00 0.00 31.44 30.46 1sg7 n GLU 83 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1sg7 s TYR 84 N -3.07 0.84 0.03 -0.32 1.51 0.91 0.25 117.35 117.51 1sg7 s TYR 84 Ca 0.07 -0.45 0.08 0.00 -1.01 0.00 0.00 57.07 55.77 1sg7 s TYR 84 Cb 0.16 -0.49 -0.02 0.00 -0.11 0.00 0.00 41.96 41.49 1sg7 s TYR 84 CO 0.79 -0.03 -0.23 0.00 -1.11 0.00 0.00 175.55 174.97 1sg7 s ALA 85 N -1.21 1.92 -0.25 3.71 0.00 0.33 -3.59 121.76 122.67 1sg7 s ALA 85 Ca -0.06 -1.11 -0.18 0.00 0.00 0.00 0.00 51.96 50.61 1sg7 s ALA 85 Cb -0.09 -0.40 -0.03 0.00 0.00 0.00 0.00 23.12 22.60 1sg7 s ALA 85 CO 0.01 0.45 0.52 0.21 0.00 0.00 0.00 175.76 176.95 1sg7 s LYS 86 N -1.10 4.09 0.00 0.00 2.20 -1.26 0.10 119.74 123.78 1sg7 s LYS 86 Ca 0.09 0.35 0.00 0.00 -0.36 0.00 0.00 55.97 56.05 1sg7 s LYS 86 Cb -0.09 -3.63 0.00 0.00 -1.51 0.00 0.00 37.83 32.59 1sg7 s LYS 86 CO 0.01 -0.31 0.00 0.41 -0.36 0.00 0.00 175.35 175.10 1sg7 n GLY 87 N 4.28 -3.22 1.55 5.54 0.00 0.16 -4.82 105.19 108.68 1sg7 n GLY 87 Ca -0.04 -1.28 -0.09 0.00 0.00 0.00 0.00 46.02 44.60 1sg7 n GLY 87 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1sg7 n ASP 88 N -2.01 4.40 0.00 1.61 5.68 -1.26 -4.49 116.55 120.48 1sg7 n ASP 88 Ca 0.00 -2.66 0.00 0.00 -0.50 0.00 0.00 54.79 51.63 1sg7 n ASP 88 Cb 0.00 -0.80 0.00 0.00 -1.14 0.00 0.00 41.12 39.18 1sg7 n ASP 88 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1sg7 n ASP 89 N 0.27 0.00 -0.56 -1.12 8.00 -1.26 -5.05 116.55 116.83 1sg7 n ASP 89 Ca 0.20 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.68 1sg7 n ASP 89 Cb 0.75 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.83 1sg7 n ASP 89 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1sg7 n ASP 90 N -0.32 -0.26 -4.34 -2.24 8.00 -1.26 -5.15 116.55 110.99 1sg7 n ASP 90 Ca 0.00 -0.59 -0.18 0.00 0.71 0.00 0.00 54.79 54.73 1sg7 n ASP 90 Cb 0.00 0.08 -0.10 0.00 -0.02 0.00 0.00 41.12 41.08 1sg7 n ASP 90 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1sg7 s LYS 91 N 0.00 1.31 0.22 -1.24 1.02 -1.26 -4.83 119.74 114.96 1sg7 s LYS 91 Ca 0.00 -1.58 0.10 0.00 0.02 0.00 0.00 55.97 54.51 1sg7 s LYS 91 Cb 0.00 -1.10 -0.05 0.00 -0.52 0.00 0.00 37.83 36.17 1sg7 s LYS 91 CO 0.00 0.18 -0.18 -1.58 -0.92 0.00 0.00 175.35 172.85 1sg7 s TRP 92 N -2.97 1.97 -0.02 3.18 0.52 -0.89 0.39 118.94 121.12 1sg7 s TRP 92 Ca 0.22 -0.45 -0.03 0.00 0.02 0.00 0.00 56.10 55.86 1sg7 s TRP 92 Cb -0.01 -0.92 0.01 0.00 -1.15 0.00 0.00 33.47 31.40 1sg7 s TRP 92 CO 0.06 0.48 0.08 -3.38 0.02 0.00 0.00 176.95 174.21 1sg7 s HIS 93 N -2.47 -0.06 0.01 -1.98 -3.43 0.28 -4.46 115.29 103.19 1sg7 s HIS 93 Ca 0.23 0.15 -0.32 0.00 -0.80 0.00 0.00 55.06 54.31 1sg7 s HIS 93 Cb -0.04 0.01 -0.11 0.00 -1.43 0.00 0.00 32.58 31.01 1sg7 s HIS 93 CO 0.10 -0.07 1.89 1.17 -2.00 0.00 0.00 174.74 175.83 1sg7 n LYS 94 N 2.85 2.51 0.00 -0.38 4.81 -1.26 0.12 118.16 126.82 1sg7 n LYS 94 Ca -0.14 0.92 0.00 0.00 -0.87 0.00 0.00 58.31 58.22 1sg7 n LYS 94 Cb 0.59 -2.80 0.00 0.00 0.02 0.00 0.00 35.03 32.83 1sg7 n LYS 94 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1sg7 n LYS 95 N 6.55 0.00 0.00 1.64 4.76 0.70 -4.80 118.16 127.01 1sg7 n LYS 95 Ca 0.21 0.00 0.13 0.00 -2.87 0.00 0.00 58.31 55.78 1sg7 n LYS 95 Cb 0.34 -0.39 0.41 0.00 -1.84 0.00 0.00 35.03 33.55 1sg7 n LYS 95 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48