#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 -0.02 6.00 2.02 -1.26 -4.80 117.35 121.81 1sg7 s TYR 23 Ca 0.00 -0.28 -0.00 0.00 -0.37 0.00 0.00 57.07 56.41 1sg7 s TYR 23 Cb 0.00 -1.52 -0.01 0.00 -0.40 0.00 0.00 41.96 40.03 1sg7 s TYR 23 CO 0.00 0.15 -0.02 1.17 -1.57 0.00 0.00 175.55 175.27 1sg7 n LYS 24 N 2.04 0.05 0.07 -0.62 3.00 -1.26 -5.00 118.16 116.44 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 -2.65 0.75 0.00 3.15 -2.24 -1.26 -5.09 114.28 106.95 1sg7 n THR 25 Ca -0.04 0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.99 1sg7 n THR 25 Cb 0.54 -1.20 0.00 0.00 -2.10 0.00 0.00 70.33 67.57 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 -3.34 0.00 0.31 -0.78 4.81 -1.26 -4.87 118.16 113.02 1sg7 n LYS 26 Ca 0.00 0.00 0.19 0.00 -0.87 0.00 0.00 58.31 57.63 1sg7 n LYS 26 Cb 0.00 0.00 1.03 0.00 0.02 0.00 0.00 35.03 36.08 1sg7 n LYS 26 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1sg7 h SER 27 N 0.00 0.00 0.29 3.14 4.64 -1.98 0.46 113.55 120.11 1sg7 h SER 27 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1sg7 h SER 27 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1sg7 h SER 27 CO 0.00 0.00 0.00 0.44 -0.87 0.00 0.00 176.83 176.40 1sg7 h ASP 28 N 0.00 0.00 -3.41 4.97 5.19 -1.91 -3.44 116.42 117.82 1sg7 h ASP 28 Ca 0.02 0.00 -0.47 0.00 -0.62 0.00 0.00 57.03 55.95 1sg7 h ASP 28 Cb 0.20 0.00 0.22 0.00 0.18 0.00 0.00 39.33 39.93 1sg7 h ASP 28 CO -0.00 0.00 -0.15 0.18 -3.12 0.00 0.00 179.24 176.15 1sg7 n LEU 29 N -2.71 -0.10 -4.75 1.55 4.77 0.15 -4.81 117.00 111.10 1sg7 n LEU 29 Ca -0.01 0.05 -0.41 0.00 -0.03 0.00 0.00 56.01 55.61 1sg7 n LEU 29 Cb 0.13 -1.28 -0.03 0.00 -2.33 0.00 0.00 43.42 39.91 1sg7 n LEU 29 CO 0.18 -2.98 1.03 -2.84 -1.33 0.00 0.00 177.39 171.45 1sg7 s PRO 30 N -4.26 4.34 0.27 3.23 0.02 -1.26 -4.76 135.00 132.57 1sg7 s PRO 30 Ca 0.65 2.19 -0.00 0.00 0.02 0.00 0.00 61.00 63.86 1sg7 s PRO 30 Cb -0.23 -3.13 0.58 0.00 0.02 0.00 0.00 34.50 31.74 1sg7 s PRO 30 CO 0.64 -0.30 1.72 1.05 -0.33 0.00 0.00 177.00 179.78 1sg7 h GLU 31 N 4.76 0.45 0.00 5.54 9.09 -1.92 1.27 114.58 133.78 1sg7 h GLU 31 Ca -0.46 -0.03 0.00 0.00 0.05 0.00 0.00 59.36 58.92 1sg7 h GLU 31 Cb 1.22 -0.10 0.00 0.00 -1.65 0.00 0.00 28.75 28.22 1sg7 h GLU 31 CO 0.75 0.30 0.00 0.45 0.05 0.00 0.00 179.01 180.56 1sg7 n SER 32 N -4.99 0.57 -0.10 3.06 2.88 -1.26 0.27 113.62 114.04 1sg7 n SER 32 Ca 0.18 0.71 -0.17 0.00 -1.33 0.00 0.00 58.87 58.26 1sg7 n SER 32 Cb 0.51 -0.80 -0.06 0.00 -0.75 0.00 0.00 64.21 63.11 1sg7 n SER 32 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1sg7 n VAL 33 N -2.20 1.50 0.15 2.46 0.31 0.39 -4.34 118.33 116.60 1sg7 n VAL 33 Ca 0.00 -0.03 0.05 0.00 -0.01 0.00 0.00 64.34 64.34 1sg7 n VAL 33 Cb 0.11 -2.16 0.48 0.00 -0.91 0.00 0.00 33.84 31.37 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 0.19 -0.98 5.55 1.57 -0.12 0.66 116.57 122.44 1sg7 h LYS 34 Ca -0.28 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.43 1sg7 h LYS 34 Cb 1.14 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.39 1sg7 h LYS 34 CO -0.17 0.24 0.05 0.72 -0.57 0.00 0.00 179.45 179.72 1sg7 n HIS 35 N -4.39 0.35 0.00 -1.35 8.25 0.14 -3.75 115.22 114.47 1sg7 n HIS 35 Ca -0.01 -0.43 0.00 0.00 -0.26 0.00 0.00 57.72 57.02 1sg7 n HIS 35 Cb 0.17 -0.26 0.00 0.00 1.12 0.00 0.00 29.99 31.02 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 0.20 0.00 -3.16 1.59 0.24 -0.77 -4.92 118.33 111.51 1sg7 n VAL 36 Ca 0.06 0.00 -0.39 0.00 -2.04 0.00 0.00 64.34 61.97 1sg7 n VAL 36 Cb 0.54 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.85 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 -1.89 4.27 0.00 1.34 1.02 0.22 -1.04 118.68 122.61 1sg7 s LEU 37 Ca 0.00 0.99 -0.13 0.00 0.02 0.00 0.00 54.13 55.00 1sg7 s LEU 37 Cb 0.00 -2.90 0.21 0.00 0.02 0.00 0.00 46.19 43.52 1sg7 s LEU 37 CO 0.00 -0.09 0.47 -2.65 0.02 0.00 0.00 176.35 174.10 1sg7 n PRO 38 N 3.93 -3.61 0.00 1.29 -0.02 -1.26 -4.70 135.00 130.64 1sg7 n PRO 38 Ca -0.04 -0.80 0.00 0.00 -2.02 0.00 0.00 63.50 60.65 1sg7 n PRO 38 Cb 0.51 -1.04 0.00 0.00 -0.02 0.00 0.00 33.50 32.95 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 -4.56 0.00 0.18 2.55 2.88 -1.26 -2.95 113.62 110.46 1sg7 n SER 39 Ca 0.08 0.73 0.11 0.00 -1.33 0.00 0.00 58.87 58.46 1sg7 n SER 39 Cb 0.33 -0.23 0.61 0.00 -0.75 0.00 0.00 64.21 64.17 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 -0.25 0.66 -0.00 -2.01 -2.05 115.15 111.51 1sg7 h HIS 40 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 60.37 60.22 1sg7 h HIS 40 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.40 1sg7 h HIS 40 CO 0.01 0.00 -0.47 0.00 -0.00 0.00 0.00 177.93 177.47 1sg7 h ALA 41 N 1.90 0.71 -0.47 5.26 0.00 -1.86 -1.54 119.26 123.25 1sg7 h ALA 41 Ca 0.00 -0.48 -0.10 0.00 0.00 0.00 0.00 54.91 54.33 1sg7 h ALA 41 Cb 0.08 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1sg7 h ALA 41 CO 0.00 0.67 -0.10 1.96 0.00 0.00 0.00 179.25 181.78 1sg7 h GLN 42 N 0.53 0.90 -0.89 0.00 4.20 -1.27 1.01 115.11 119.58 1sg7 h GLN 42 Ca 0.03 -0.33 -0.01 0.00 0.06 0.00 0.00 58.65 58.40 1sg7 h GLN 42 Cb 1.01 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.69 1sg7 h GLN 42 CO 0.09 0.98 0.52 0.22 -0.67 0.00 0.00 178.83 179.98 1sg7 h ASP 43 N 0.74 1.08 0.30 1.46 1.82 -1.59 0.74 116.42 120.97 1sg7 h ASP 43 Ca 0.12 -0.07 -0.01 0.00 -0.39 0.00 0.00 57.03 56.67 1sg7 h ASP 43 Cb 0.64 -0.27 0.00 0.00 0.68 0.00 0.00 39.33 40.38 1sg7 h ASP 43 CO 0.04 0.84 -0.15 0.40 -1.61 0.00 0.00 179.24 178.77 1sg7 h ILE 44 N 1.23 0.72 0.15 2.25 2.04 -0.75 0.45 117.51 123.61 1sg7 h ILE 44 Ca 0.32 -0.46 -0.00 0.00 1.00 0.00 0.00 64.86 65.72 1sg7 h ILE 44 Cb -0.03 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 1sg7 h ILE 44 CO -0.06 0.09 -0.26 0.22 0.00 0.00 0.00 178.15 178.15 1sg7 h TYR 45 N -0.66 -0.73 -0.18 1.37 5.03 0.16 0.34 116.97 122.30 1sg7 h TYR 45 Ca -0.04 0.01 0.05 0.00 2.58 0.00 0.00 58.73 61.33 1sg7 h TYR 45 Cb 0.46 0.30 -0.06 0.00 1.55 0.00 0.00 36.73 38.98 1sg7 h TYR 45 CO 0.01 -0.31 -0.21 -0.22 -1.32 0.00 0.00 178.16 176.11 1sg7 h LYS 46 N -0.44 -0.23 -0.90 1.82 3.64 0.40 0.72 116.57 121.59 1sg7 h LYS 46 Ca -0.02 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.43 1sg7 h LYS 46 Cb 0.40 0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.22 1sg7 h LYS 46 CO -0.09 -0.15 0.59 0.93 -2.27 0.00 0.00 179.45 178.46 1sg7 h GLU 47 N -0.24 1.03 -0.22 1.90 4.39 -0.80 0.40 114.58 121.04 1sg7 h GLU 47 Ca 0.12 -0.06 -0.21 0.00 0.34 0.00 0.00 59.36 59.55 1sg7 h GLU 47 Cb 0.41 -0.23 0.01 0.00 -0.10 0.00 0.00 28.75 28.84 1sg7 h GLU 47 CO -0.32 0.68 -0.67 0.00 -1.16 0.00 0.00 179.01 177.54 1sg7 h ALA 48 N 1.50 0.38 0.24 3.43 0.00 0.54 -2.58 119.26 122.77 1sg7 h ALA 48 Ca 0.38 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1sg7 h ALA 48 Cb 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1sg7 h ALA 48 CO -0.13 0.68 -0.11 0.35 0.00 0.00 0.00 179.25 180.03 1sg7 h PHE 49 N 0.61 -0.29 -0.62 0.00 3.04 0.14 -2.15 116.94 117.67 1sg7 h PHE 49 Ca -0.02 -0.01 0.11 0.00 3.98 0.00 0.00 57.97 62.03 1sg7 h PHE 49 Cb 1.29 0.10 -0.08 0.00 2.56 0.00 0.00 35.95 39.81 1sg7 h PHE 49 CO 0.08 -0.15 0.18 -0.91 -2.02 0.00 0.00 178.31 175.49 1sg7 h ASN 50 N -0.36 0.10 -0.33 0.41 -0.26 -0.26 0.51 115.58 115.38 1sg7 h ASN 50 Ca -0.03 0.10 0.04 0.00 -0.56 0.00 0.00 56.30 55.85 1sg7 h ASN 50 Cb 0.28 0.12 -0.04 0.00 -1.06 0.00 0.00 38.32 37.62 1sg7 h ASN 50 CO 0.05 0.05 0.09 -1.28 -1.06 0.00 0.00 177.43 175.29 1sg7 h SER 51 N 0.32 0.06 0.28 5.81 0.87 -1.26 0.61 113.55 120.25 1sg7 h SER 51 Ca 0.33 0.05 -0.06 0.00 -1.23 0.00 0.00 61.79 60.87 1sg7 h SER 51 Cb 0.47 0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.47 1sg7 h SER 51 CO -0.38 0.07 -0.29 0.00 -0.53 0.00 0.00 176.83 175.70 1sg7 h ALA 52 N 1.23 1.49 0.17 6.23 0.00 -0.57 0.69 119.26 128.51 1sg7 h ALA 52 Ca 0.15 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1sg7 h ALA 52 Cb 0.15 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1sg7 h ALA 52 CO -0.18 0.38 -0.08 2.35 0.00 0.00 0.00 179.25 181.72 1sg7 h TRP 53 N 0.02 -0.21 -0.12 0.00 7.01 0.21 -0.41 115.95 122.44 1sg7 h TRP 53 Ca 0.00 -0.00 -0.13 0.00 2.11 0.00 0.00 58.89 60.87 1sg7 h TRP 53 Cb 0.53 0.07 -0.01 0.00 -2.10 0.00 0.00 29.16 27.65 1sg7 h TRP 53 CO 0.00 0.13 -0.49 0.22 -2.79 0.00 0.00 178.44 175.51 1sg7 h ASP 54 N -0.58 0.34 0.54 2.65 1.82 0.34 -2.53 116.42 119.00 1sg7 h ASP 54 Ca -0.02 -0.16 -0.05 0.00 -0.39 0.00 0.00 57.03 56.41 1sg7 h ASP 54 Cb 0.44 -0.10 -0.01 0.00 0.68 0.00 0.00 39.33 40.35 1sg7 h ASP 54 CO 0.04 0.78 -0.21 1.56 -1.61 0.00 0.00 179.24 179.79 1sg7 h GLN 55 N 0.25 0.00 -3.07 0.28 4.20 0.44 -3.28 115.11 113.93 1sg7 h GLN 55 Ca 0.01 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.43 1sg7 h GLN 55 Cb 0.96 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.74 1sg7 h GLN 55 CO 0.08 0.21 1.76 0.98 -0.67 0.00 0.00 178.83 181.19 1sg7 n TYR 56 N -3.66 0.93 1.13 2.96 9.36 -0.17 -4.42 117.16 123.29 1sg7 n TYR 56 Ca -0.01 -1.63 0.12 0.00 3.32 0.00 0.00 57.90 59.70 1sg7 n TYR 56 Cb 0.34 -1.50 0.61 0.00 -0.63 0.00 0.00 39.34 38.15 1sg7 n TYR 56 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 1sg7 n LYS 57 N 3.67 0.32 0.12 2.98 0.00 -1.24 -3.01 118.16 121.00 1sg7 n LYS 57 Ca 0.39 0.06 -0.21 0.00 0.00 0.00 0.00 58.31 58.55 1sg7 n LYS 57 Cb 0.27 -1.50 -0.15 0.00 0.00 0.00 0.00 35.03 33.65 1sg7 n LYS 57 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.40 177.62 1sg7 h ASP 58 N 0.00 0.64 -0.90 3.14 3.58 -1.93 -3.33 116.42 117.61 1sg7 h ASP 58 Ca 0.00 -0.72 -0.62 0.00 0.42 0.00 0.00 57.03 56.11 1sg7 h ASP 58 Cb 0.24 -0.21 -0.34 0.00 1.72 0.00 0.00 39.33 40.74 1sg7 h ASP 58 CO 0.00 1.57 0.22 1.17 -2.88 0.00 0.00 179.24 179.32 1sg7 n LYS 59 N -3.61 3.03 0.05 0.28 4.81 -1.17 -4.62 118.16 116.93 1sg7 n LYS 59 Ca -0.15 -3.62 -0.21 0.00 -0.87 0.00 0.00 58.31 53.46 1sg7 n LYS 59 Cb 1.07 -2.28 -0.15 0.00 0.02 0.00 0.00 35.03 33.69 1sg7 n LYS 59 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1sg7 h GLU 60 N 2.05 0.31 -0.63 1.64 4.39 -1.68 -3.35 114.58 117.31 1sg7 h GLU 60 Ca 0.51 -0.52 -0.33 0.00 0.34 0.00 0.00 59.36 59.36 1sg7 h GLU 60 Cb 1.11 0.19 -0.20 0.00 -0.10 0.00 0.00 28.75 29.76 1sg7 h GLU 60 CO 1.26 1.25 0.22 -3.47 -1.16 0.00 0.00 179.01 177.12 1sg7 n ASP 61 N -4.05 3.06 -4.75 1.42 2.03 -1.26 -4.98 116.55 108.03 1sg7 n ASP 61 Ca -0.17 -3.72 -0.32 0.00 0.52 0.00 0.00 54.79 51.09 1sg7 n ASP 61 Cb 0.86 -0.72 -0.08 0.00 -0.72 0.00 0.00 41.12 40.47 1sg7 n ASP 61 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1sg7 s ARG 62 N -3.29 2.93 0.58 -0.67 1.81 -1.26 -4.99 118.95 114.07 1sg7 s ARG 62 Ca 0.50 -0.57 0.36 0.00 -1.72 0.00 0.00 55.73 54.30 1sg7 s ARG 62 Cb 0.44 -2.77 1.65 0.00 -0.45 0.00 0.00 34.95 33.82 1sg7 s ARG 62 CO 0.04 0.62 2.09 0.07 -0.68 0.00 0.00 175.30 177.44 1sg7 h ARG 63 N 4.03 0.00 -1.93 3.54 0.11 -1.93 -3.12 114.38 115.07 1sg7 h ARG 63 Ca -0.49 0.00 -0.44 0.00 0.10 0.00 0.00 59.98 59.15 1sg7 h ARG 63 Cb 1.18 0.00 -0.16 0.00 1.11 0.00 0.00 29.97 32.10 1sg7 h ARG 63 CO 0.61 0.01 0.31 -3.47 0.10 0.00 0.00 179.97 177.53 1sg7 n ASP 64 N -3.13 6.33 0.22 0.08 2.03 -1.26 -4.61 116.55 116.22 1sg7 n ASP 64 Ca -0.01 -3.10 0.13 0.00 0.52 0.00 0.00 54.79 52.33 1sg7 n ASP 64 Cb 0.24 -1.23 0.75 0.00 -0.72 0.00 0.00 41.12 40.17 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 2.78 0.00 -0.91 1.67 3.32 -1.81 -1.42 116.42 120.05 1sg7 h ASP 65 Ca 0.35 0.00 0.11 0.00 0.02 0.00 0.00 57.03 57.52 1sg7 h ASP 65 Cb 0.84 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.31 1sg7 h ASP 65 CO 0.79 0.00 0.54 0.00 -1.72 0.00 0.00 179.24 178.85 1sg7 h ALA 66 N 1.91 1.34 -0.54 3.45 0.00 -1.92 0.13 119.26 123.65 1sg7 h ALA 66 Ca 0.05 0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.09 1sg7 h ALA 66 Cb 0.24 -0.16 -0.08 0.00 0.00 0.00 0.00 17.79 17.80 1sg7 h ALA 66 CO -0.00 0.14 0.08 1.03 0.00 0.00 0.00 179.25 180.50 1sg7 h SER 67 N 0.87 -0.06 0.30 0.00 0.87 -1.65 1.27 113.55 115.15 1sg7 h SER 67 Ca 0.45 0.11 -0.01 0.00 -1.23 0.00 0.00 61.79 61.11 1sg7 h SER 67 Cb 0.45 0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.56 1sg7 h SER 67 CO -0.27 -0.01 -0.30 -0.09 -0.53 0.00 0.00 176.83 175.64 1sg7 h ARG 68 N 0.21 -0.57 -0.72 2.24 1.12 -1.10 0.75 114.38 116.30 1sg7 h ARG 68 Ca 0.28 0.04 0.16 0.00 -1.11 0.00 0.00 59.98 59.35 1sg7 h ARG 68 Cb 0.40 0.13 -0.12 0.00 -0.01 0.00 0.00 29.97 30.37 1sg7 h ARG 68 CO -0.38 -0.38 0.06 1.49 -3.11 0.00 0.00 179.97 177.64 1sg7 h GLU 69 N -0.60 0.15 0.45 0.20 4.81 -0.69 0.15 114.58 119.05 1sg7 h GLU 69 Ca -0.04 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 1sg7 h GLU 69 Cb 0.51 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.84 1sg7 h GLU 69 CO -0.03 0.10 -0.47 1.49 -0.73 0.00 0.00 179.01 179.36 1sg7 h GLU 70 N 0.15 -0.89 -0.47 1.92 4.57 0.22 0.72 114.58 120.79 1sg7 h GLU 70 Ca 0.40 0.06 0.10 0.00 -1.18 0.00 0.00 59.36 58.74 1sg7 h GLU 70 Cb 0.69 0.20 -0.09 0.00 -0.16 0.00 0.00 28.75 29.40 1sg7 h GLU 70 CO -0.59 -0.59 -0.12 1.15 -1.18 0.00 0.00 179.01 177.67 1sg7 h THR 71 N -0.92 0.51 -0.76 0.32 2.02 0.17 0.24 112.91 114.49 1sg7 h THR 71 Ca -0.06 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.26 1sg7 h THR 71 Cb 0.81 0.51 -0.09 0.00 -1.74 0.00 0.00 68.15 67.64 1sg7 h THR 71 CO -0.07 0.00 0.32 0.00 0.37 0.00 0.00 175.52 176.13 1sg7 h ALA 72 N 1.46 1.08 -0.34 6.16 0.00 -0.41 0.51 119.26 127.71 1sg7 h ALA 72 Ca 0.23 0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.31 1sg7 h ALA 72 Cb 0.36 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.16 1sg7 h ALA 72 CO -0.49 -0.19 -0.02 0.45 0.00 0.00 0.00 179.25 178.99 1sg7 h HIS 73 N 0.47 -0.06 -0.74 0.00 -0.00 0.18 0.42 115.15 115.41 1sg7 h HIS 73 Ca 0.42 0.03 0.03 0.00 -0.00 0.00 0.00 60.37 60.84 1sg7 h HIS 73 Cb 0.62 0.08 -0.04 0.00 -0.00 0.00 0.00 27.41 28.06 1sg7 h HIS 73 CO -0.15 -0.09 0.47 0.87 -0.00 0.00 0.00 177.93 179.03 1sg7 h LYS 74 N 0.07 0.90 0.59 2.45 6.56 0.13 -1.77 116.57 125.50 1sg7 h LYS 74 Ca 0.17 -0.05 -0.03 0.00 -1.06 0.00 0.00 60.65 59.67 1sg7 h LYS 74 Cb 0.24 -0.20 0.01 0.00 -0.57 0.00 0.00 32.23 31.70 1sg7 h LYS 74 CO -0.30 0.60 -0.28 0.28 -2.06 0.00 0.00 179.45 177.68 1sg7 h VAL 75 N 0.93 0.21 -0.82 0.50 2.07 0.97 -2.08 116.25 118.02 1sg7 h VAL 75 Ca 0.29 -0.38 0.20 0.00 0.82 0.00 0.00 66.70 67.64 1sg7 h VAL 75 Cb -0.01 0.29 -0.13 0.00 -1.52 0.00 0.00 31.29 29.92 1sg7 h VAL 75 CO -0.10 0.03 0.20 0.00 0.02 0.00 0.00 177.57 177.72 1sg7 h ALA 76 N -0.93 1.13 -0.54 1.67 0.00 -0.16 0.51 119.26 120.93 1sg7 h ALA 76 Ca -0.08 0.20 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1sg7 h ALA 76 Cb 0.66 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 1sg7 h ALA 76 CO 0.13 -0.40 0.34 -1.49 0.00 0.00 0.00 179.25 177.83 1sg7 h TRP 77 N 0.24 0.65 -0.68 0.00 4.06 -1.31 0.13 115.95 119.03 1sg7 h TRP 77 Ca 0.49 0.02 0.14 0.00 2.06 0.00 0.00 58.89 61.60 1sg7 h TRP 77 Cb 0.93 -0.21 -0.10 0.00 -1.00 0.00 0.00 29.16 28.77 1sg7 h TRP 77 CO -0.27 0.39 0.13 0.00 -3.56 0.00 0.00 178.44 175.13 1sg7 h ALA 78 N 1.21 0.83 -0.45 1.49 0.00 0.72 1.75 119.26 124.82 1sg7 h ALA 78 Ca 0.21 0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.25 1sg7 h ALA 78 Cb -0.04 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1sg7 h ALA 78 CO -0.07 -0.34 0.17 0.00 0.00 0.00 0.00 179.25 179.02 1sg7 h ALA 79 N 1.58 0.58 0.29 0.00 0.00 -0.53 -0.91 119.26 120.26 1sg7 h ALA 79 Ca 0.38 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1sg7 h ALA 79 Cb 0.62 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1sg7 h ALA 79 CO -0.50 0.19 -0.14 0.28 0.00 0.00 0.00 179.25 179.09 1sg7 h VAL 80 N 0.58 0.73 0.00 0.00 2.07 0.15 0.08 116.25 119.85 1sg7 h VAL 80 Ca 0.15 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.61 1sg7 h VAL 80 Cb 0.20 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 1sg7 h VAL 80 CO -0.01 0.01 0.00 0.29 0.02 0.00 0.00 177.57 177.88 1sg7 n LYS 81 N -5.24 0.15 -0.08 1.57 5.02 0.56 0.32 118.16 120.47 1sg7 n LYS 81 Ca -0.10 0.60 -0.19 0.00 -2.02 0.00 0.00 58.31 56.60 1sg7 n LYS 81 Cb 0.18 -1.95 -0.12 0.00 -0.02 0.00 0.00 35.03 33.12 1sg7 n LYS 81 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1sg7 h HIS 82 N 0.00 0.06 0.00 2.13 2.76 -0.11 -3.38 115.15 116.61 1sg7 h HIS 82 Ca 0.00 -0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.13 1sg7 h HIS 82 Cb 0.07 -0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.03 1sg7 h HIS 82 CO 0.00 1.31 -0.81 0.39 -1.30 0.00 0.00 177.93 177.52 1sg7 n GLU 83 N -4.43 0.08 -4.18 5.26 1.02 -0.09 -4.23 120.64 114.08 1sg7 n GLU 83 Ca -0.23 -0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 56.75 1sg7 n GLU 83 Cb 0.63 -1.53 -0.13 0.00 -0.02 0.00 0.00 31.44 30.40 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 -3.06 0.76 0.09 -0.32 1.51 0.96 0.27 117.35 117.56 1sg7 s TYR 84 Ca 0.08 -0.33 0.09 0.00 -1.01 0.00 0.00 57.07 55.90 1sg7 s TYR 84 Cb 0.16 -0.46 -0.03 0.00 -0.11 0.00 0.00 41.96 41.52 1sg7 s TYR 84 CO 0.78 -0.03 -0.23 0.00 -1.11 0.00 0.00 175.55 174.97 1sg7 s ALA 85 N -0.83 1.96 -0.18 3.71 0.00 0.31 -3.58 121.76 123.16 1sg7 s ALA 85 Ca -0.03 -1.25 -0.18 0.00 0.00 0.00 0.00 51.96 50.50 1sg7 s ALA 85 Cb -0.07 -0.33 -0.03 0.00 0.00 0.00 0.00 23.12 22.69 1sg7 s ALA 85 CO 0.00 0.43 0.50 0.21 0.00 0.00 0.00 175.76 176.90 1sg7 s LYS 86 N -1.67 4.23 0.00 0.00 2.20 -1.26 0.70 119.74 123.94 1sg7 s LYS 86 Ca 0.09 0.41 0.00 0.00 -0.36 0.00 0.00 55.97 56.11 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 0.04 -0.07 0.00 0.41 -0.36 0.00 0.00 175.35 175.37 1sg7 n GLY 87 N 3.74 -1.16 0.75 5.54 0.00 -0.63 -4.81 105.19 108.63 1sg7 n GLY 87 Ca -0.05 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.34 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 -1.82 0.60 -0.16 1.61 5.75 -1.26 -4.62 116.55 116.64 1sg7 n ASP 88 Ca 0.00 -0.60 0.00 0.00 -0.01 0.00 0.00 54.79 54.18 1sg7 n ASP 88 Cb 0.00 -0.15 0.00 0.00 -1.03 0.00 0.00 41.12 39.94 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 0.60 0.00 -2.30 -1.12 8.00 -1.26 -5.04 116.55 115.44 1sg7 n ASP 89 Ca 0.00 -0.16 -0.33 0.00 0.71 0.00 0.00 54.79 55.00 1sg7 n ASP 89 Cb 0.11 0.00 0.08 0.00 -0.02 0.00 0.00 41.12 41.30 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 -0.44 7.24 -4.32 -2.24 8.00 -1.26 -4.93 116.55 118.61 1sg7 n ASP 90 Ca 0.00 -3.77 -0.17 0.00 0.71 0.00 0.00 54.79 51.55 1sg7 n ASP 90 Cb 0.00 -0.93 -0.10 0.00 -0.02 0.00 0.00 41.12 40.07 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 -3.77 1.25 0.24 -1.24 1.02 -1.26 -4.76 119.74 111.21 1sg7 s LYS 91 Ca 0.64 -1.54 0.10 0.00 0.02 0.00 0.00 55.97 55.19 1sg7 s LYS 91 Cb 0.50 -0.99 -0.05 0.00 -0.52 0.00 0.00 37.83 36.77 1sg7 s LYS 91 CO 0.00 0.16 -0.18 -1.58 -0.92 0.00 0.00 175.35 172.83 1sg7 s TRP 92 N -3.01 2.02 -0.05 3.18 0.52 -0.20 -1.61 118.94 119.79 1sg7 s TRP 92 Ca 0.20 -0.44 -0.05 0.00 0.02 0.00 0.00 56.10 55.83 1sg7 s TRP 92 Cb -0.00 -0.90 0.01 0.00 -1.15 0.00 0.00 33.47 31.43 1sg7 s TRP 92 CO 0.05 0.55 0.14 -3.38 0.02 0.00 0.00 176.95 174.34 1sg7 s HIS 93 N -2.69 -0.16 0.02 -1.98 -3.43 0.22 -4.35 115.29 102.92 1sg7 s HIS 93 Ca 0.26 0.39 -0.33 0.00 -0.80 0.00 0.00 55.06 54.58 1sg7 s HIS 93 Cb -0.03 0.05 -0.12 0.00 -1.43 0.00 0.00 32.58 31.05 1sg7 s HIS 93 CO 0.11 -0.08 1.83 1.17 -2.00 0.00 0.00 174.74 175.77 1sg7 n LYS 94 N 3.03 2.40 0.00 -0.38 4.81 -1.26 0.12 118.16 126.87 1sg7 n LYS 94 Ca -0.13 0.88 0.00 0.00 -0.87 0.00 0.00 58.31 58.19 1sg7 n LYS 94 Cb 0.59 -2.73 0.00 0.00 0.02 0.00 0.00 35.03 32.90 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 5.95 0.00 0.00 1.64 4.76 0.75 -4.79 118.16 126.47 1sg7 n LYS 95 Ca 0.20 0.00 0.01 0.00 -2.87 0.00 0.00 58.31 55.65 1sg7 n LYS 95 Cb 0.33 -0.38 0.05 0.00 -1.84 0.00 0.00 35.03 33.18 1sg7 n LYS 95 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46