#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 -0.01 6.00 2.02 -1.26 -4.88 117.35 121.75 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 -1.49 -0.01 0.00 -0.40 0.00 0.00 41.96 40.06 1sg7 s TYR 23 CO 0.00 0.19 -0.01 1.17 -1.57 0.00 0.00 175.55 175.33 1sg7 n LYS 24 N 1.83 0.04 0.05 -0.62 3.00 -1.26 -5.00 118.16 116.20 1sg7 n LYS 24 Ca -0.16 0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.16 1sg7 n LYS 24 Cb 0.52 -0.97 0.00 0.00 0.00 0.00 0.00 35.03 34.58 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 -2.61 0.60 0.00 3.15 -2.24 -1.26 -5.09 114.28 106.83 1sg7 n THR 25 Ca -0.03 0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.95 1sg7 n THR 25 Cb 0.53 -1.11 0.00 0.00 -2.10 0.00 0.00 70.33 67.65 1sg7 n THR 25 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1sg7 n LYS 26 N -3.16 0.00 0.26 -0.78 4.81 -1.26 -4.83 118.16 113.20 1sg7 n LYS 26 Ca 0.00 0.00 0.18 0.00 -0.87 0.00 0.00 58.31 57.62 1sg7 n LYS 26 Cb 0.00 0.00 0.88 0.00 0.02 0.00 0.00 35.03 35.93 1sg7 n LYS 26 CO 0.00 0.00 0.00 0.77 1.17 0.00 0.00 177.40 179.34 1sg7 h SER 27 N 0.00 0.00 0.47 3.14 0.02 -1.98 0.35 113.55 115.55 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 0.47 -1.14 0.00 0.00 176.83 176.16 1sg7 n ASP 28 N -3.35 0.01 -4.57 3.07 9.92 -1.26 -4.80 116.55 115.57 1sg7 n ASP 28 Ca 0.00 0.50 -0.29 0.00 -0.53 0.00 0.00 54.79 54.47 1sg7 n ASP 28 Cb 0.34 -0.50 0.22 0.00 -0.64 0.00 0.00 41.12 40.53 1sg7 n ASP 28 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1sg7 s LEU 29 N -3.02 1.68 0.26 0.64 1.43 0.12 -4.84 118.68 114.95 1sg7 s LEU 29 Ca 0.07 1.80 -0.30 0.00 -1.03 0.00 0.00 54.13 54.67 1sg7 s LEU 29 Cb 0.09 -3.91 -0.10 0.00 0.03 0.00 0.00 46.19 42.30 1sg7 s LEU 29 CO 0.25 -3.74 1.45 -2.84 0.23 0.00 0.00 176.35 171.69 1sg7 s PRO 30 N -4.54 4.26 0.20 1.29 0.02 -1.26 -4.74 135.00 130.23 1sg7 s PRO 30 Ca 0.68 2.32 -0.14 0.00 0.02 0.00 0.00 61.00 63.88 1sg7 s PRO 30 Cb -0.24 -3.10 0.22 0.00 0.02 0.00 0.00 34.50 31.40 1sg7 s PRO 30 CO 0.62 -0.43 1.64 1.05 -0.33 0.00 0.00 177.00 179.55 1sg7 h GLU 31 N 4.93 0.03 0.00 5.54 4.11 -1.92 1.37 114.58 128.64 1sg7 h GLU 31 Ca -0.46 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.97 1sg7 h GLU 31 Cb 1.22 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1sg7 h GLU 31 CO 0.77 0.02 0.03 0.66 0.07 0.00 0.00 179.01 180.56 1sg7 h SER 32 N 0.03 0.00 0.00 3.06 4.64 -1.94 0.89 113.55 120.23 1sg7 h SER 32 Ca 0.28 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.43 1sg7 h SER 32 Cb 0.44 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.50 1sg7 h SER 32 CO -0.57 0.00 -1.19 0.52 -0.87 0.00 0.00 176.83 174.72 1sg7 n VAL 33 N -2.59 1.49 0.22 0.95 0.31 0.42 -4.25 118.33 114.89 1sg7 n VAL 33 Ca -0.02 0.01 0.05 0.00 -0.01 0.00 0.00 64.34 64.37 1sg7 n VAL 33 Cb 0.08 -2.15 0.47 0.00 -0.91 0.00 0.00 33.84 31.33 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 0.00 -0.96 5.55 1.57 0.49 0.35 116.57 122.57 1sg7 h LYS 34 Ca -0.26 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.51 1sg7 h LYS 34 Cb 1.08 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.38 1sg7 h LYS 34 CO -0.16 0.22 0.01 0.72 -0.57 0.00 0.00 179.45 179.68 1sg7 n HIS 35 N -4.27 0.25 0.00 -1.35 8.25 0.31 -3.71 115.22 114.71 1sg7 n HIS 35 Ca -0.02 -0.18 0.00 0.00 -0.26 0.00 0.00 57.72 57.26 1sg7 n HIS 35 Cb 0.28 -0.18 0.00 0.00 1.12 0.00 0.00 29.99 31.21 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 0.11 0.00 -2.64 1.59 0.24 -0.89 -4.94 118.33 111.80 1sg7 n VAL 36 Ca 0.04 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.92 1sg7 n VAL 36 Cb 0.40 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.74 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 -2.45 4.37 0.00 1.34 1.02 0.12 -1.98 118.68 121.11 1sg7 s LEU 37 Ca 0.00 1.75 0.00 0.00 0.02 0.00 0.00 54.13 55.90 1sg7 s LEU 37 Cb 0.00 -3.57 0.00 0.00 0.02 0.00 0.00 46.19 42.64 1sg7 s LEU 37 CO 0.00 -0.30 0.46 -2.65 0.02 0.00 0.00 176.35 173.87 1sg7 n PRO 38 N 3.86 0.00 0.00 1.29 -0.02 -1.26 -4.80 135.00 134.08 1sg7 n PRO 38 Ca 0.07 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 1sg7 n PRO 38 Cb 0.50 -0.96 0.00 0.00 -0.02 0.00 0.00 33.50 33.02 1sg7 n PRO 38 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1sg7 n SER 39 N -0.60 0.00 0.15 2.55 3.41 -1.26 -4.89 113.62 112.98 1sg7 n SER 39 Ca 0.00 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.71 1sg7 n SER 39 Cb 0.00 0.17 0.54 0.00 -0.26 0.00 0.00 64.21 64.66 1sg7 n SER 39 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1sg7 n HIS 40 N -1.83 0.69 0.16 7.33 -0.00 -1.26 -1.20 115.22 119.11 1sg7 n HIS 40 Ca 0.00 0.35 0.01 0.00 -0.00 0.00 0.00 57.72 58.08 1sg7 n HIS 40 Cb 0.00 -1.06 0.27 0.00 -0.00 0.00 0.00 29.99 29.20 1sg7 n HIS 40 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1sg7 h ALA 41 N 2.03 1.20 -0.25 1.57 0.00 -1.92 -1.11 119.26 120.77 1sg7 h ALA 41 Ca 0.00 -0.44 -0.18 0.00 0.00 0.00 0.00 54.91 54.29 1sg7 h ALA 41 Cb 0.04 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1sg7 h ALA 41 CO 0.00 0.60 -0.55 1.96 0.00 0.00 0.00 179.25 181.26 1sg7 h GLN 42 N 0.01 0.77 -0.60 0.00 4.20 -1.49 0.95 115.11 118.95 1sg7 h GLN 42 Ca -0.00 -0.49 -0.05 0.00 0.06 0.00 0.00 58.65 58.16 1sg7 h GLN 42 Cb 0.86 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.67 1sg7 h GLN 42 CO 0.06 1.12 0.17 0.22 -0.67 0.00 0.00 178.83 179.73 1sg7 h ASP 43 N 0.59 0.89 0.41 1.46 1.82 -1.56 0.47 116.42 120.50 1sg7 h ASP 43 Ca 0.01 -0.22 -0.02 0.00 -0.39 0.00 0.00 57.03 56.41 1sg7 h ASP 43 Cb 1.14 -0.23 0.00 0.00 0.68 0.00 0.00 39.33 40.92 1sg7 h ASP 43 CO 0.12 0.88 -0.19 0.40 -1.61 0.00 0.00 179.24 178.83 1sg7 h ILE 44 N 0.86 0.60 -0.01 2.25 2.04 -0.94 0.28 117.51 122.59 1sg7 h ILE 44 Ca 0.19 -0.21 0.03 0.00 1.00 0.00 0.00 64.86 65.88 1sg7 h ILE 44 Cb 0.32 0.71 -0.05 0.00 -0.74 0.00 0.00 36.82 37.06 1sg7 h ILE 44 CO -0.00 0.04 -0.30 0.22 0.00 0.00 0.00 178.15 178.11 1sg7 h TYR 45 N -0.66 -0.81 0.10 1.37 5.03 0.12 0.43 116.97 122.54 1sg7 h TYR 45 Ca -0.06 0.03 -0.00 0.00 2.58 0.00 0.00 58.73 61.28 1sg7 h TYR 45 Cb 0.48 0.36 0.00 0.00 1.55 0.00 0.00 36.73 39.12 1sg7 h TYR 45 CO -0.02 -0.39 -0.05 -0.22 -1.32 0.00 0.00 178.16 176.16 1sg7 h LYS 46 N -0.44 -0.13 -0.96 1.82 3.64 -0.03 0.57 116.57 121.05 1sg7 h LYS 46 Ca 0.06 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.47 1sg7 h LYS 46 Cb 0.53 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.33 1sg7 h LYS 46 CO -0.26 -0.07 0.63 0.93 -2.27 0.00 0.00 179.45 178.42 1sg7 h GLU 47 N -0.15 1.23 -0.21 1.90 4.39 -0.20 0.48 114.58 122.02 1sg7 h GLU 47 Ca -0.01 -0.07 -0.20 0.00 0.34 0.00 0.00 59.36 59.41 1sg7 h GLU 47 Cb 0.12 -0.28 0.00 0.00 -0.10 0.00 0.00 28.75 28.49 1sg7 h GLU 47 CO 0.02 0.82 -0.66 0.00 -1.16 0.00 0.00 179.01 178.03 1sg7 h ALA 48 N 1.41 0.42 0.29 3.43 0.00 0.11 -2.28 119.26 122.64 1sg7 h ALA 48 Ca 0.36 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1sg7 h ALA 48 Cb -0.10 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1sg7 h ALA 48 CO -0.09 0.69 -0.14 0.35 0.00 0.00 0.00 179.25 180.06 1sg7 h PHE 49 N 0.58 -0.36 -0.75 0.00 3.04 0.91 -2.21 116.94 118.16 1sg7 h PHE 49 Ca -0.02 -0.01 0.13 0.00 3.98 0.00 0.00 57.97 62.05 1sg7 h PHE 49 Cb 1.27 0.12 -0.09 0.00 2.56 0.00 0.00 35.95 39.82 1sg7 h PHE 49 CO 0.08 -0.18 0.33 -0.91 -2.02 0.00 0.00 178.31 175.60 1sg7 h ASN 50 N -0.46 0.36 -0.47 0.41 -0.26 -0.08 0.34 115.58 115.42 1sg7 h ASN 50 Ca -0.04 0.09 0.06 0.00 -0.56 0.00 0.00 56.30 55.85 1sg7 h ASN 50 Cb 0.35 0.05 -0.05 0.00 -1.06 0.00 0.00 38.32 37.60 1sg7 h ASN 50 CO 0.07 0.16 0.18 -1.28 -1.06 0.00 0.00 177.43 175.49 1sg7 h SER 51 N 0.51 0.19 0.33 5.81 0.87 -1.15 0.59 113.55 120.71 1sg7 h SER 51 Ca 0.40 0.05 -0.09 0.00 -1.23 0.00 0.00 61.79 60.92 1sg7 h SER 51 Cb 0.55 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.53 1sg7 h SER 51 CO -0.36 0.14 -0.40 0.00 -0.53 0.00 0.00 176.83 175.69 1sg7 h ALA 52 N 1.31 1.25 0.20 6.23 0.00 -0.52 0.85 119.26 128.58 1sg7 h ALA 52 Ca 0.22 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1sg7 h ALA 52 Cb 0.22 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1sg7 h ALA 52 CO -0.22 0.54 -0.10 2.35 0.00 0.00 0.00 179.25 181.82 1sg7 h TRP 53 N 0.08 -0.25 -0.10 0.00 7.01 0.16 0.03 115.95 122.87 1sg7 h TRP 53 Ca 0.01 -0.01 -0.13 0.00 2.11 0.00 0.00 58.89 60.87 1sg7 h TRP 53 Cb 0.75 0.08 -0.01 0.00 -2.10 0.00 0.00 29.16 27.88 1sg7 h TRP 53 CO 0.01 0.08 -0.51 0.22 -2.79 0.00 0.00 178.44 175.45 1sg7 h ASP 54 N -0.61 0.30 0.59 2.65 3.58 0.22 -2.64 116.42 120.51 1sg7 h ASP 54 Ca -0.03 -0.15 -0.05 0.00 0.42 0.00 0.00 57.03 57.23 1sg7 h ASP 54 Cb 0.44 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.40 1sg7 h ASP 54 CO 0.05 0.75 -0.24 1.56 -2.88 0.00 0.00 179.24 178.48 1sg7 h GLN 55 N 0.22 0.00 -2.22 0.28 4.20 0.79 -3.21 115.11 115.18 1sg7 h GLN 55 Ca 0.01 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.67 1sg7 h GLN 55 Cb 0.97 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.73 1sg7 h GLN 55 CO 0.08 0.24 0.00 0.98 -0.67 0.00 0.00 178.83 179.46 1sg7 n TYR 56 N -3.64 0.00 1.60 2.96 9.36 -0.01 -4.25 117.16 123.19 1sg7 n TYR 56 Ca -0.01 -0.70 0.13 0.00 3.32 0.00 0.00 57.90 60.65 1sg7 n TYR 56 Cb 0.36 -0.72 0.77 0.00 -0.63 0.00 0.00 39.34 39.12 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 2.21 0.76 0.22 2.98 5.02 -1.21 -2.59 118.16 125.55 1sg7 n LYS 57 Ca 0.12 0.01 -0.12 0.00 -2.02 0.00 0.00 58.31 56.29 1sg7 n LYS 57 Cb 0.39 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.84 1sg7 n LYS 57 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 1sg7 h ASP 58 N 0.00 -0.52 0.00 4.39 3.58 -1.92 -3.44 116.42 118.51 1sg7 h ASP 58 Ca 0.00 -0.07 -0.19 0.00 0.42 0.00 0.00 57.03 57.19 1sg7 h ASP 58 Cb 0.04 0.14 -0.14 0.00 1.72 0.00 0.00 39.33 41.09 1sg7 h ASP 58 CO 0.00 -0.11 -0.39 1.17 -2.88 0.00 0.00 179.24 177.03 1sg7 n LYS 59 N -5.21 0.69 -0.04 0.28 4.81 -1.24 -5.00 118.16 112.45 1sg7 n LYS 59 Ca -0.09 -1.55 -0.18 0.00 -0.87 0.00 0.00 58.31 55.62 1sg7 n LYS 59 Cb 0.29 -1.14 -0.14 0.00 0.02 0.00 0.00 35.03 34.06 1sg7 n LYS 59 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 1sg7 n GLU 60 N 1.37 0.71 -1.73 1.64 0.28 -1.07 -4.35 120.64 117.50 1sg7 n GLU 60 Ca 0.07 0.21 -0.34 0.00 -0.16 0.00 0.00 57.16 56.94 1sg7 n GLU 60 Cb 0.66 -1.65 0.05 0.00 1.43 0.00 0.00 31.44 31.93 1sg7 n GLU 60 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1sg7 n ASP 61 N -3.30 6.95 0.00 -1.84 -0.08 -1.26 -3.62 116.55 113.41 1sg7 n ASP 61 Ca -0.34 -3.79 0.00 0.00 -1.51 0.00 0.00 54.79 49.15 1sg7 n ASP 61 Cb 1.04 -0.86 0.00 0.00 2.34 0.00 0.00 41.12 43.64 1sg7 n ASP 61 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21 1sg7 n ARG 62 N -0.73 0.00 -0.07 -0.67 1.85 -1.26 -4.99 116.66 110.78 1sg7 n ARG 62 Ca 0.55 0.00 -0.08 0.00 -1.00 0.00 0.00 57.85 57.32 1sg7 n ARG 62 Cb 0.57 0.00 -0.15 0.00 -1.05 0.00 0.00 32.46 31.83 1sg7 n ARG 62 CO 0.00 0.00 0.00 2.89 -0.01 0.00 0.00 177.63 180.51 1sg7 n ARG 63 N 0.00 0.67 -2.34 2.89 1.85 -1.26 -4.48 116.66 113.99 1sg7 n ARG 63 Ca 0.00 0.06 -0.34 0.00 -1.00 0.00 0.00 57.85 56.57 1sg7 n ARG 63 Cb 0.00 -1.59 0.01 0.00 -1.05 0.00 0.00 32.46 29.83 1sg7 n ARG 63 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 1sg7 n ASP 64 N -2.80 6.15 0.17 2.89 2.03 -1.26 -4.78 116.55 118.94 1sg7 n ASP 64 Ca -0.27 -3.76 0.11 0.00 0.52 0.00 0.00 54.79 51.39 1sg7 n ASP 64 Cb 1.10 -0.81 0.64 0.00 -0.72 0.00 0.00 41.12 41.33 1sg7 n ASP 64 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 1sg7 h ASP 65 N 3.02 0.03 -0.93 1.67 3.32 -1.78 -0.66 116.42 121.09 1sg7 h ASP 65 Ca 0.42 -0.00 0.13 0.00 0.02 0.00 0.00 57.03 57.60 1sg7 h ASP 65 Cb 0.43 -0.01 -0.08 0.00 0.22 0.00 0.00 39.33 39.90 1sg7 h ASP 65 CO 1.12 0.02 0.60 0.00 -1.72 0.00 0.00 179.24 179.26 1sg7 h ALA 66 N 1.91 1.69 -0.62 3.45 0.00 -1.86 0.94 119.26 124.77 1sg7 h ALA 66 Ca 0.08 0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.11 1sg7 h ALA 66 Cb 0.29 -0.16 -0.08 0.00 0.00 0.00 0.00 17.79 17.84 1sg7 h ALA 66 CO -0.00 0.07 0.22 1.03 0.00 0.00 0.00 179.25 180.57 1sg7 h SER 67 N 0.83 0.21 0.29 0.00 0.87 -1.48 0.84 113.55 115.11 1sg7 h SER 67 Ca 0.46 0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 61.10 1sg7 h SER 67 Cb 0.60 0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.61 1sg7 h SER 67 CO -0.23 0.12 -0.33 -0.09 -0.53 0.00 0.00 176.83 175.77 1sg7 h ARG 68 N 0.40 -0.61 -0.64 2.24 1.12 -0.91 0.92 114.38 116.91 1sg7 h ARG 68 Ca 0.32 0.04 0.13 0.00 -1.11 0.00 0.00 59.98 59.36 1sg7 h ARG 68 Cb 0.41 0.14 -0.12 0.00 -0.01 0.00 0.00 29.97 30.39 1sg7 h ARG 68 CO -0.32 -0.41 -0.12 1.49 -3.11 0.00 0.00 179.97 177.50 1sg7 h GLU 69 N -0.63 0.03 0.28 0.20 4.81 -0.96 0.34 114.58 118.65 1sg7 h GLU 69 Ca -0.04 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1sg7 h GLU 69 Cb 0.56 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.90 1sg7 h GLU 69 CO -0.06 0.02 -0.50 1.49 -0.73 0.00 0.00 179.01 179.23 1sg7 h GLU 70 N 0.03 -0.80 -0.59 1.92 4.57 0.13 0.52 114.58 120.35 1sg7 h GLU 70 Ca 0.31 0.05 0.12 0.00 -1.18 0.00 0.00 59.36 58.67 1sg7 h GLU 70 Cb 0.49 0.18 -0.09 0.00 -0.16 0.00 0.00 28.75 29.17 1sg7 h GLU 70 CO -0.63 -0.53 0.05 1.15 -1.18 0.00 0.00 179.01 177.86 1sg7 h THR 71 N -0.83 0.56 -0.74 0.32 2.02 0.21 0.18 112.91 114.63 1sg7 h THR 71 Ca -0.03 -0.06 0.13 0.00 0.77 0.00 0.00 66.41 67.22 1sg7 h THR 71 Cb 0.78 0.38 -0.09 0.00 -1.74 0.00 0.00 68.15 67.48 1sg7 h THR 71 CO -0.18 0.03 0.31 0.00 0.37 0.00 0.00 175.52 176.05 1sg7 h ALA 72 N 1.52 1.03 -0.44 6.16 0.00 0.28 0.47 119.26 128.28 1sg7 h ALA 72 Ca 0.31 0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.38 1sg7 h ALA 72 Cb 0.49 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 1sg7 h ALA 72 CO -0.47 -0.17 0.13 0.45 0.00 0.00 0.00 179.25 179.19 1sg7 h HIS 73 N 0.48 0.23 -0.23 0.00 -0.00 0.16 0.47 115.15 116.25 1sg7 h HIS 73 Ca 0.40 0.02 0.01 0.00 -0.00 0.00 0.00 60.37 60.80 1sg7 h HIS 73 Cb 0.56 -0.04 -0.02 0.00 -0.00 0.00 0.00 27.41 27.92 1sg7 h HIS 73 CO -0.15 0.07 0.12 0.87 -0.00 0.00 0.00 177.93 178.84 1sg7 h LYS 74 N 0.29 0.25 0.81 2.45 6.56 0.60 -1.30 116.57 126.23 1sg7 h LYS 74 Ca 0.21 -0.02 -0.04 0.00 -1.06 0.00 0.00 60.65 59.75 1sg7 h LYS 74 Cb 0.23 -0.06 0.01 0.00 -0.57 0.00 0.00 32.23 31.84 1sg7 h LYS 74 CO -0.24 0.17 -0.39 0.28 -2.06 0.00 0.00 179.45 177.21 1sg7 h VAL 75 N 0.26 0.10 -0.82 0.50 2.07 0.53 -2.26 116.25 116.63 1sg7 h VAL 75 Ca 0.09 -0.14 0.20 0.00 0.82 0.00 0.00 66.70 67.67 1sg7 h VAL 75 Cb 0.01 0.11 -0.14 0.00 -1.52 0.00 0.00 31.29 29.75 1sg7 h VAL 75 CO -0.05 0.01 0.02 0.00 0.02 0.00 0.00 177.57 177.57 1sg7 h ALA 76 N -1.13 0.90 -0.89 1.67 0.00 -0.06 0.67 119.26 120.42 1sg7 h ALA 76 Ca -0.11 0.26 0.04 0.00 0.00 0.00 0.00 54.91 55.11 1sg7 h ALA 76 Cb 0.85 0.45 -0.06 0.00 0.00 0.00 0.00 17.79 19.03 1sg7 h ALA 76 CO 0.18 -0.45 0.57 -1.49 0.00 0.00 0.00 179.25 178.07 1sg7 h TRP 77 N 0.10 1.07 -0.71 0.00 4.06 -1.15 -0.19 115.95 119.12 1sg7 h TRP 77 Ca 0.46 0.03 0.14 0.00 2.06 0.00 0.00 58.89 61.58 1sg7 h TRP 77 Cb 0.85 -0.35 -0.10 0.00 -1.00 0.00 0.00 29.16 28.56 1sg7 h TRP 77 CO -0.43 0.59 0.23 0.00 -3.56 0.00 0.00 178.44 175.27 1sg7 h ALA 78 N 1.39 0.95 -0.16 1.49 0.00 0.96 1.45 119.26 125.34 1sg7 h ALA 78 Ca 0.37 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.40 1sg7 h ALA 78 Cb 0.06 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1sg7 h ALA 78 CO -0.14 -0.26 0.06 0.00 0.00 0.00 0.00 179.25 178.91 1sg7 h ALA 79 N 1.54 0.21 -0.26 0.00 0.00 -0.70 -0.96 119.26 119.09 1sg7 h ALA 79 Ca 0.39 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.22 1sg7 h ALA 79 Cb 0.61 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1sg7 h ALA 79 CO -0.42 -0.20 0.10 0.28 0.00 0.00 0.00 179.25 179.01 1sg7 h VAL 80 N 0.10 0.94 0.00 0.00 2.07 0.82 0.17 116.25 120.36 1sg7 h VAL 80 Ca 0.05 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1sg7 h VAL 80 Cb 0.18 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 1sg7 h VAL 80 CO -0.00 0.04 0.00 0.11 0.02 0.00 0.00 177.57 177.74 1sg7 h LYS 81 N 0.22 0.00 0.00 1.57 1.57 0.21 2.67 116.57 122.81 1sg7 h LYS 81 Ca 0.11 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.77 1sg7 h LYS 81 Cb 0.07 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 1sg7 h LYS 81 CO -0.11 0.00 -0.68 1.25 -0.57 0.00 0.00 179.45 179.34 1sg7 h HIS 82 N 0.00 0.00 0.00 -1.35 2.76 0.46 -3.38 115.15 113.64 1sg7 h HIS 82 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1sg7 h HIS 82 Cb 0.21 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.17 1sg7 h HIS 82 CO 0.00 1.17 -0.73 0.39 -1.30 0.00 0.00 177.93 177.45 1sg7 n GLU 83 N -4.52 0.21 -4.12 5.26 1.02 0.39 -4.47 120.64 114.41 1sg7 n GLU 83 Ca -0.21 0.03 -0.15 0.00 -0.02 0.00 0.00 57.16 56.82 1sg7 n GLU 83 Cb 0.55 -1.60 -0.12 0.00 -0.02 0.00 0.00 31.44 30.25 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 -3.13 0.68 0.11 -0.32 1.51 0.89 0.25 117.35 117.34 1sg7 s TYR 84 Ca 0.07 -0.37 0.09 0.00 -1.01 0.00 0.00 57.07 55.85 1sg7 s TYR 84 Cb 0.15 -0.41 -0.04 0.00 -0.11 0.00 0.00 41.96 41.55 1sg7 s TYR 84 CO 0.74 -0.05 -0.23 0.00 -1.11 0.00 0.00 175.55 174.91 1sg7 s ALA 85 N -0.97 2.03 -0.19 3.71 0.00 0.31 -3.44 121.76 123.21 1sg7 s ALA 85 Ca -0.05 -1.33 -0.17 0.00 0.00 0.00 0.00 51.96 50.41 1sg7 s ALA 85 Cb -0.08 -0.30 -0.04 0.00 0.00 0.00 0.00 23.12 22.71 1sg7 s ALA 85 CO 0.00 0.43 0.45 0.21 0.00 0.00 0.00 175.76 176.86 1sg7 s LYS 86 N -1.95 4.21 0.00 0.00 2.20 -1.26 0.12 119.74 123.06 1sg7 s LYS 86 Ca 0.09 0.31 0.00 0.00 -0.36 0.00 0.00 55.97 56.02 1sg7 s LYS 86 Cb -0.10 -3.53 0.00 0.00 -1.51 0.00 0.00 37.83 32.69 1sg7 s LYS 86 CO 0.05 -0.04 0.00 0.41 -0.36 0.00 0.00 175.35 175.41 1sg7 n GLY 87 N 3.79 -1.40 0.73 5.54 0.00 -0.39 -4.80 105.19 108.66 1sg7 n GLY 87 Ca -0.07 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.35 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 -2.21 0.68 0.00 1.61 5.75 -1.26 -4.62 116.55 116.50 1sg7 n ASP 88 Ca 0.00 -0.70 0.00 0.00 -0.01 0.00 0.00 54.79 54.08 1sg7 n ASP 88 Cb 0.00 -0.18 0.00 0.00 -1.03 0.00 0.00 41.12 39.91 1sg7 n ASP 88 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1sg7 n ASP 89 N 0.56 0.00 -2.24 -1.12 8.00 -1.26 -5.04 116.55 115.45 1sg7 n ASP 89 Ca 0.00 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.19 1sg7 n ASP 89 Cb 0.13 0.00 0.10 0.00 -0.02 0.00 0.00 41.12 41.33 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 0.00 6.56 -4.30 -2.24 9.92 -1.26 -4.94 116.55 120.28 1sg7 n ASP 90 Ca 0.00 -3.76 -0.18 0.00 -0.53 0.00 0.00 54.79 50.33 1sg7 n ASP 90 Cb 0.00 -0.88 -0.10 0.00 -0.64 0.00 0.00 41.12 39.49 1sg7 n ASP 90 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1sg7 s LYS 91 N -3.69 1.20 0.18 -1.24 1.02 -1.26 -4.78 119.74 111.17 1sg7 s LYS 91 Ca 0.62 -1.46 0.11 0.00 0.02 0.00 0.00 55.97 55.26 1sg7 s LYS 91 Cb 0.49 -1.01 -0.04 0.00 -0.52 0.00 0.00 37.83 36.75 1sg7 s LYS 91 CO 0.02 0.17 -0.23 -1.58 -0.92 0.00 0.00 175.35 172.81 1sg7 s TRP 92 N -2.72 2.33 -0.00 3.18 0.52 -0.84 -1.27 118.94 120.14 1sg7 s TRP 92 Ca 0.17 -0.35 0.01 0.00 0.02 0.00 0.00 56.10 55.95 1sg7 s TRP 92 Cb -0.02 -1.17 -0.00 0.00 -1.15 0.00 0.00 33.47 31.13 1sg7 s TRP 92 CO 0.05 0.48 -0.02 -3.38 0.02 0.00 0.00 176.95 174.09 1sg7 s HIS 93 N -1.59 0.20 0.06 -1.98 -3.43 0.32 -4.13 115.29 104.74 1sg7 s HIS 93 Ca 0.20 -0.05 -0.33 0.00 -0.80 0.00 0.00 55.06 54.08 1sg7 s HIS 93 Cb -0.08 -0.13 -0.12 0.00 -1.43 0.00 0.00 32.58 30.81 1sg7 s HIS 93 CO 0.10 -0.01 1.76 1.17 -2.00 0.00 0.00 174.74 175.76 1sg7 n LYS 94 N 2.98 2.34 0.02 -0.38 4.81 -1.26 0.11 118.16 126.78 1sg7 n LYS 94 Ca -0.13 0.85 -0.10 0.00 -0.87 0.00 0.00 58.31 58.06 1sg7 n LYS 94 Cb 0.59 -2.68 -0.14 0.00 0.02 0.00 0.00 35.03 32.82 1sg7 n LYS 94 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 1sg7 h LYS 95 N 7.90 0.06 -0.01 1.64 1.79 0.30 -3.45 116.57 124.79 1sg7 h LYS 95 Ca -0.47 -0.10 0.00 0.00 -2.18 0.00 0.00 60.65 57.90 1sg7 h LYS 95 Cb 1.25 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.94 1sg7 h LYS 95 CO 0.93 0.78 0.00 0.45 -1.08 0.00 0.00 179.45 180.52