#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 -0.06 6.00 2.02 -1.26 -4.82 117.35 121.76 1sg7 s TYR 23 Ca 0.00 -0.28 -0.01 0.00 -0.37 0.00 0.00 57.07 56.41 1sg7 s TYR 23 Cb 0.00 -1.50 -0.03 0.00 -0.40 0.00 0.00 41.96 40.02 1sg7 s TYR 23 CO 0.00 0.18 -0.06 1.17 -1.57 0.00 0.00 175.55 175.26 1sg7 n LYS 24 N 1.90 0.14 0.05 -0.62 3.00 -1.26 -4.99 118.16 116.38 1sg7 n LYS 24 Ca -0.16 0.04 0.00 0.00 -0.00 0.00 0.00 58.31 58.19 1sg7 n LYS 24 Cb 0.52 -0.94 0.00 0.00 0.00 0.00 0.00 35.03 34.61 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 -2.94 0.54 0.00 3.15 -2.24 -1.26 -5.09 114.28 106.44 1sg7 n THR 25 Ca -0.11 0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 1sg7 n THR 25 Cb 0.60 -1.25 0.00 0.00 -2.10 0.00 0.00 70.33 67.58 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 -3.25 0.00 0.24 -0.78 4.81 -1.26 -4.85 118.16 113.07 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 0.14 0.00 0.85 0.00 0.02 0.00 0.00 35.03 36.04 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 0.33 3.14 0.02 -1.98 0.18 113.55 115.24 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 -3.42 3.07 5.19 -1.92 -3.45 116.42 115.90 1sg7 h ASP 28 Ca 0.08 0.00 -0.47 0.00 -0.62 0.00 0.00 57.03 56.01 1sg7 h ASP 28 Cb 0.64 0.00 0.21 0.00 0.18 0.00 0.00 39.33 40.37 1sg7 h ASP 28 CO -0.00 0.00 -0.13 0.18 -3.12 0.00 0.00 179.24 176.17 1sg7 n LEU 29 N -2.38 -0.10 -4.76 1.55 4.77 0.62 -4.80 117.00 111.91 1sg7 n LEU 29 Ca -0.00 0.05 -0.41 0.00 -0.03 0.00 0.00 56.01 55.62 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 0.15 -2.98 0.95 -2.84 -1.33 0.00 0.00 177.39 171.34 1sg7 s PRO 30 N -4.28 4.41 0.18 3.23 0.02 -1.26 -4.76 135.00 132.53 1sg7 s PRO 30 Ca 0.66 2.13 -0.16 0.00 0.02 0.00 0.00 61.00 63.64 1sg7 s PRO 30 Cb -0.23 -3.11 0.15 0.00 0.02 0.00 0.00 34.50 31.33 1sg7 s PRO 30 CO 0.63 -0.13 1.65 1.05 -0.33 0.00 0.00 177.00 179.87 1sg7 h GLU 31 N 3.77 -0.02 0.00 5.54 4.11 -1.93 0.95 114.58 127.00 1sg7 h GLU 31 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 1sg7 h GLU 31 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1sg7 h GLU 31 CO 0.68 -0.01 0.05 0.45 0.07 0.00 0.00 179.01 180.24 1sg7 n SER 32 N -5.36 0.54 -0.11 3.06 2.88 -1.26 0.12 113.62 113.50 1sg7 n SER 32 Ca 0.04 0.74 -0.19 0.00 -1.33 0.00 0.00 58.87 58.13 1sg7 n SER 32 Cb 0.27 -0.79 -0.08 0.00 -0.75 0.00 0.00 64.21 62.86 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 -2.25 1.51 0.21 2.46 0.31 0.27 -4.20 118.33 116.64 1sg7 n VAL 33 Ca -0.01 -0.07 0.06 0.00 -0.01 0.00 0.00 64.34 64.30 1sg7 n VAL 33 Cb 0.08 -2.11 0.47 0.00 -0.91 0.00 0.00 33.84 31.38 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 -0.24 5.55 1.57 0.51 0.61 116.57 123.57 1sg7 h LYS 34 Ca -0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 1sg7 h LYS 34 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1sg7 h LYS 34 CO -0.21 0.26 0.00 0.72 -0.57 0.00 0.00 179.45 179.66 1sg7 n HIS 35 N -4.03 0.14 0.00 -1.35 8.25 0.33 -3.73 115.22 114.83 1sg7 n HIS 35 Ca -0.02 -0.06 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 1sg7 n HIS 35 Cb 0.33 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.41 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 -2.85 1.59 0.24 -0.86 -4.94 118.33 111.33 1sg7 n VAL 36 Ca 0.03 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.92 1sg7 n VAL 36 Cb 0.13 0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 32.46 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 -1.31 4.36 0.00 1.34 1.02 0.21 -1.01 118.68 123.29 1sg7 s LEU 37 Ca 0.00 1.49 0.00 0.00 0.02 0.00 0.00 54.13 55.64 1sg7 s LEU 37 Cb 0.00 -3.38 0.00 0.00 0.02 0.00 0.00 46.19 42.83 1sg7 s LEU 37 CO 0.00 -0.18 0.52 -2.65 0.02 0.00 0.00 176.35 174.06 1sg7 n PRO 38 N 3.73 0.00 0.00 1.29 -0.02 -1.26 -4.80 135.00 133.94 1sg7 n PRO 38 Ca 0.03 0.12 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 1sg7 n PRO 38 Cb 0.51 -1.02 0.00 0.00 -0.02 0.00 0.00 33.50 32.97 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 -0.66 0.00 0.08 2.55 3.41 -1.26 -4.89 113.62 112.85 1sg7 n SER 39 Ca 0.00 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.66 1sg7 n SER 39 Cb 0.00 0.01 0.29 0.00 -0.26 0.00 0.00 64.21 64.25 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 -1.08 0.36 0.17 7.33 -0.00 -1.26 -1.10 115.22 119.64 1sg7 n HIS 40 Ca 0.00 0.19 0.01 0.00 -0.00 0.00 0.00 57.72 57.92 1sg7 n HIS 40 Cb 0.00 -0.80 0.28 0.00 -0.00 0.00 0.00 29.99 29.47 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 1.99 1.16 -0.21 1.57 0.00 -1.92 -0.04 119.26 121.81 1sg7 h ALA 41 Ca 0.00 -0.43 -0.18 0.00 0.00 0.00 0.00 54.91 54.29 1sg7 h ALA 41 Cb 0.01 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1sg7 h ALA 41 CO 0.00 0.60 -0.60 1.96 0.00 0.00 0.00 179.25 181.21 1sg7 h GLN 42 N 0.00 0.70 -0.23 0.00 4.20 -1.45 0.90 115.11 119.23 1sg7 h GLN 42 Ca -0.00 -0.47 -0.05 0.00 0.06 0.00 0.00 58.65 58.19 1sg7 h GLN 42 Cb 0.87 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.71 1sg7 h GLN 42 CO 0.06 1.09 -0.03 0.22 -0.67 0.00 0.00 178.83 179.50 1sg7 h ASP 43 N 0.52 0.43 0.15 1.46 3.58 -1.58 0.68 116.42 121.67 1sg7 h ASP 43 Ca -0.00 -0.35 0.01 0.00 0.42 0.00 0.00 57.03 57.11 1sg7 h ASP 43 Cb 1.18 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 42.09 1sg7 h ASP 43 CO 0.12 0.68 -0.20 0.40 -2.88 0.00 0.00 179.24 177.35 1sg7 h ILE 44 N 0.18 0.54 0.30 2.25 2.04 -0.86 1.14 117.51 123.11 1sg7 h ILE 44 Ca 0.06 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.92 1sg7 h ILE 44 Cb 0.48 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 1sg7 h ILE 44 CO 0.02 0.00 -0.51 0.22 0.00 0.00 0.00 178.15 177.88 1sg7 h TYR 45 N -0.41 -1.44 0.24 1.37 5.03 0.10 0.65 116.97 122.50 1sg7 h TYR 45 Ca 0.01 0.03 -0.00 0.00 2.58 0.00 0.00 58.73 61.35 1sg7 h TYR 45 Cb 0.41 0.59 -0.01 0.00 1.55 0.00 0.00 36.73 39.27 1sg7 h TYR 45 CO -0.18 -0.62 -0.20 -0.22 -1.32 0.00 0.00 178.16 175.62 1sg7 h LYS 46 N -0.86 -0.44 -0.81 1.82 3.64 0.57 0.67 116.57 121.16 1sg7 h LYS 46 Ca -0.03 0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.44 1sg7 h LYS 46 Cb 0.80 0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 32.67 1sg7 h LYS 46 CO -0.17 -0.29 0.53 0.93 -2.27 0.00 0.00 179.45 178.17 1sg7 h GLU 47 N -0.46 0.87 -0.14 1.90 5.08 0.15 0.71 114.58 122.69 1sg7 h GLU 47 Ca -0.01 -0.05 -0.22 0.00 -1.00 0.00 0.00 59.36 58.07 1sg7 h GLU 47 Cb 0.41 -0.20 0.01 0.00 0.50 0.00 0.00 28.75 29.48 1sg7 h GLU 47 CO -0.03 0.58 -0.80 0.00 -1.00 0.00 0.00 179.01 177.76 1sg7 h ALA 48 N 1.56 0.32 0.43 3.43 0.00 0.70 -1.40 119.26 124.30 1sg7 h ALA 48 Ca 0.35 -0.61 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 1sg7 h ALA 48 Cb 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1sg7 h ALA 48 CO -0.12 0.69 -0.21 0.35 0.00 0.00 0.00 179.25 179.96 1sg7 h PHE 49 N 0.52 -0.54 -0.85 0.00 3.04 0.15 -1.06 116.94 118.21 1sg7 h PHE 49 Ca -0.06 -0.01 0.10 0.00 3.98 0.00 0.00 57.97 61.98 1sg7 h PHE 49 Cb 1.42 0.18 -0.07 0.00 2.56 0.00 0.00 35.95 40.04 1sg7 h PHE 49 CO 0.08 -0.26 0.49 -0.91 -2.02 0.00 0.00 178.31 175.70 1sg7 h ASN 50 N -0.72 0.71 -0.44 0.41 2.35 0.33 0.67 115.58 118.90 1sg7 h ASN 50 Ca -0.06 0.05 0.05 0.00 -0.55 0.00 0.00 56.30 55.79 1sg7 h ASN 50 Cb 0.51 -0.09 -0.04 0.00 0.05 0.00 0.00 38.32 38.75 1sg7 h ASN 50 CO 0.10 0.41 0.18 -1.28 -1.65 0.00 0.00 177.43 175.18 1sg7 h SER 51 N 0.82 0.22 0.65 5.81 0.87 -1.02 0.57 113.55 121.47 1sg7 h SER 51 Ca 0.41 0.04 -0.10 0.00 -1.23 0.00 0.00 61.79 60.90 1sg7 h SER 51 Cb 0.37 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.32 1sg7 h SER 51 CO -0.25 0.16 -0.49 0.00 -0.53 0.00 0.00 176.83 175.72 1sg7 h ALA 52 N 1.27 1.05 0.28 6.23 0.00 0.17 0.59 119.26 128.84 1sg7 h ALA 52 Ca 0.20 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1sg7 h ALA 52 Cb 0.16 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1sg7 h ALA 52 CO -0.18 0.62 -0.13 2.35 0.00 0.00 0.00 179.25 181.90 1sg7 h TRP 53 N 0.00 -0.35 -0.48 0.00 7.01 0.19 0.21 115.95 122.53 1sg7 h TRP 53 Ca -0.00 -0.01 -0.06 0.00 2.11 0.00 0.00 58.89 60.92 1sg7 h TRP 53 Cb 0.95 0.11 -0.02 0.00 -2.10 0.00 0.00 29.16 28.11 1sg7 h TRP 53 CO 0.00 -0.01 0.05 0.22 -2.79 0.00 0.00 178.44 175.90 1sg7 h ASP 54 N -0.73 0.73 0.57 2.65 1.82 0.09 -1.48 116.42 120.08 1sg7 h ASP 54 Ca -0.04 -0.15 -0.05 0.00 -0.39 0.00 0.00 57.03 56.40 1sg7 h ASP 54 Cb 0.49 -0.19 -0.01 0.00 0.68 0.00 0.00 39.33 40.30 1sg7 h ASP 54 CO 0.06 0.77 -0.24 1.56 -1.61 0.00 0.00 179.24 179.79 1sg7 h GLN 55 N 0.73 0.00 -3.07 0.28 4.20 -0.80 -3.29 115.11 113.16 1sg7 h GLN 55 Ca 0.15 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.57 1sg7 h GLN 55 Cb 0.38 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.16 1sg7 h GLN 55 CO 0.01 0.24 1.74 0.98 -0.67 0.00 0.00 178.83 181.13 1sg7 n TYR 56 N -3.66 0.92 1.82 2.96 9.36 0.72 -4.36 117.16 124.92 1sg7 n TYR 56 Ca -0.01 -1.62 0.15 0.00 3.32 0.00 0.00 57.90 59.74 1sg7 n TYR 56 Cb 0.36 -1.50 0.79 0.00 -0.63 0.00 0.00 39.34 38.37 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 3.67 1.24 0.06 2.98 4.76 -1.24 -3.61 118.16 126.02 1sg7 n LYS 57 Ca 0.39 -0.35 -0.21 0.00 -2.87 0.00 0.00 58.31 55.26 1sg7 n LYS 57 Cb 0.27 -1.49 -0.15 0.00 -1.84 0.00 0.00 35.03 31.82 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 0.86 0.53 -1.00 4.39 1.82 -1.93 -3.34 116.42 117.74 1sg7 h ASP 58 Ca 0.00 -0.94 -0.64 0.00 -0.39 0.00 0.00 57.03 55.05 1sg7 h ASP 58 Cb 0.18 -0.17 -0.33 0.00 0.68 0.00 0.00 39.33 39.69 1sg7 h ASP 58 CO 0.00 1.47 0.34 1.17 -1.61 0.00 0.00 179.24 180.61 1sg7 n LYS 59 N -4.03 2.99 0.08 0.28 3.00 -1.24 -4.63 118.16 114.61 1sg7 n LYS 59 Ca -0.15 -3.60 -0.22 0.00 -0.00 0.00 0.00 58.31 54.33 1sg7 n LYS 59 Cb 0.88 -2.28 -0.15 0.00 0.00 0.00 0.00 35.03 33.48 1sg7 n LYS 59 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 1sg7 h GLU 60 N 2.13 0.39 -0.79 1.64 4.39 -1.69 -3.34 114.58 117.31 1sg7 h GLU 60 Ca 0.53 -0.66 -0.22 0.00 0.34 0.00 0.00 59.36 59.34 1sg7 h GLU 60 Cb 0.98 0.25 -0.13 0.00 -0.10 0.00 0.00 28.75 29.74 1sg7 h GLU 60 CO 1.32 1.32 0.28 -3.47 -1.16 0.00 0.00 179.01 177.30 1sg7 n ASP 61 N -3.90 4.68 -4.74 1.42 -0.08 -1.26 -4.93 116.55 107.74 1sg7 n ASP 61 Ca -0.18 -3.17 -0.33 0.00 -1.51 0.00 0.00 54.79 49.61 1sg7 n ASP 61 Cb 0.96 -0.74 -0.08 0.00 2.34 0.00 0.00 41.12 43.60 1sg7 n ASP 61 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 1sg7 s ARG 62 N -2.87 2.92 0.31 -0.67 1.81 -1.25 -4.98 118.95 114.21 1sg7 s ARG 62 Ca 0.53 -0.56 0.24 0.00 -1.72 0.00 0.00 55.73 54.21 1sg7 s ARG 62 Cb 0.42 -2.76 1.10 0.00 -0.45 0.00 0.00 34.95 33.26 1sg7 s ARG 62 CO 0.13 0.63 1.73 0.07 -0.68 0.00 0.00 175.30 177.18 1sg7 h ARG 63 N 4.13 0.00 -1.92 3.54 0.11 -1.91 -3.12 114.38 115.21 1sg7 h ARG 63 Ca -0.49 0.00 -0.50 0.00 0.10 0.00 0.00 59.98 59.09 1sg7 h ARG 63 Cb 1.18 0.00 -0.18 0.00 1.11 0.00 0.00 29.97 32.08 1sg7 h ARG 63 CO 0.60 0.00 0.44 -3.47 0.10 0.00 0.00 179.97 177.64 1sg7 n ASP 64 N -2.32 6.56 0.24 0.08 2.03 -1.26 -4.62 116.55 117.25 1sg7 n ASP 64 Ca 0.01 -3.24 0.15 0.00 0.52 0.00 0.00 54.79 52.23 1sg7 n ASP 64 Cb 0.17 -1.20 0.82 0.00 -0.72 0.00 0.00 41.12 40.19 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 2.80 0.00 -0.93 1.67 3.32 -1.81 -1.22 116.42 120.25 1sg7 h ASP 65 Ca 0.40 0.00 0.11 0.00 0.02 0.00 0.00 57.03 57.56 1sg7 h ASP 65 Cb 0.70 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.17 1sg7 h ASP 65 CO 0.91 0.00 0.56 0.00 -1.72 0.00 0.00 179.24 178.99 1sg7 h ALA 66 N 1.91 1.37 -0.60 3.45 0.00 -1.92 0.11 119.26 123.58 1sg7 h ALA 66 Ca 0.04 0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.09 1sg7 h ALA 66 Cb 0.23 -0.17 -0.08 0.00 0.00 0.00 0.00 17.79 17.77 1sg7 h ALA 66 CO -0.00 0.16 0.17 1.03 0.00 0.00 0.00 179.25 180.60 1sg7 h SER 67 N 0.89 0.09 0.46 0.00 0.87 -1.61 1.00 113.55 115.26 1sg7 h SER 67 Ca 0.46 0.10 -0.02 0.00 -1.23 0.00 0.00 61.79 61.10 1sg7 h SER 67 Cb 0.45 0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.51 1sg7 h SER 67 CO -0.27 0.06 -0.38 -0.09 -0.53 0.00 0.00 176.83 175.62 1sg7 h ARG 68 N 0.32 -0.79 -0.74 2.24 1.12 -1.10 0.83 114.38 116.26 1sg7 h ARG 68 Ca 0.31 0.05 0.17 0.00 -1.11 0.00 0.00 59.98 59.40 1sg7 h ARG 68 Cb 0.43 0.18 -0.12 0.00 -0.01 0.00 0.00 29.97 30.45 1sg7 h ARG 68 CO -0.36 -0.53 0.09 1.49 -3.11 0.00 0.00 179.97 177.56 1sg7 h GLU 69 N -0.82 0.17 0.66 0.20 4.81 -0.60 0.30 114.58 119.31 1sg7 h GLU 69 Ca -0.06 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.13 1sg7 h GLU 69 Cb 0.69 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.02 1sg7 h GLU 69 CO -0.00 0.12 -0.48 1.49 -0.73 0.00 0.00 179.01 179.40 1sg7 h GLU 70 N 0.18 -1.05 -0.63 1.92 4.57 0.17 0.11 114.58 119.85 1sg7 h GLU 70 Ca 0.41 0.07 0.13 0.00 -1.18 0.00 0.00 59.36 58.79 1sg7 h GLU 70 Cb 0.72 0.24 -0.10 0.00 -0.16 0.00 0.00 28.75 29.45 1sg7 h GLU 70 CO -0.58 -0.70 0.07 1.15 -1.18 0.00 0.00 179.01 177.77 1sg7 h THR 71 N -1.09 0.54 -0.74 0.32 2.02 0.18 0.39 112.91 114.53 1sg7 h THR 71 Ca -0.09 -0.06 0.12 0.00 0.77 0.00 0.00 66.41 67.15 1sg7 h THR 71 Cb 0.90 0.34 -0.09 0.00 -1.74 0.00 0.00 68.15 67.57 1sg7 h THR 71 CO 0.04 0.03 0.33 0.00 0.37 0.00 0.00 175.52 176.29 1sg7 h ALA 72 N 1.54 1.05 -0.30 6.16 0.00 -0.09 0.38 119.26 128.00 1sg7 h ALA 72 Ca 0.34 0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.40 1sg7 h ALA 72 Cb 0.54 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 1sg7 h ALA 72 CO -0.48 -0.14 -0.08 0.45 0.00 0.00 0.00 179.25 178.99 1sg7 h HIS 73 N 0.52 -0.17 -0.43 0.00 -0.00 0.18 0.78 115.15 116.02 1sg7 h HIS 73 Ca 0.39 0.03 0.05 0.00 -0.00 0.00 0.00 60.37 60.84 1sg7 h HIS 73 Cb 0.53 0.12 -0.04 0.00 -0.00 0.00 0.00 27.41 28.02 1sg7 h HIS 73 CO -0.14 -0.14 0.17 0.87 -0.00 0.00 0.00 177.93 178.70 1sg7 h LYS 74 N -0.01 0.35 0.74 2.45 6.56 0.73 -0.28 116.57 127.11 1sg7 h LYS 74 Ca 0.15 -0.02 -0.04 0.00 -1.06 0.00 0.00 60.65 59.68 1sg7 h LYS 74 Cb 0.23 -0.08 0.01 0.00 -0.57 0.00 0.00 32.23 31.82 1sg7 h LYS 74 CO -0.32 0.23 -0.35 0.28 -2.06 0.00 0.00 179.45 177.23 1sg7 h VAL 75 N 0.36 0.13 -0.82 0.50 2.07 0.67 -1.49 116.25 117.68 1sg7 h VAL 75 Ca 0.20 -0.21 0.20 0.00 0.82 0.00 0.00 66.70 67.70 1sg7 h VAL 75 Cb 0.16 0.16 -0.13 0.00 -1.52 0.00 0.00 31.29 29.96 1sg7 h VAL 75 CO -0.18 0.01 0.18 0.00 0.02 0.00 0.00 177.57 177.60 1sg7 h ALA 76 N -1.06 1.09 -0.66 1.67 0.00 0.66 0.61 119.26 121.56 1sg7 h ALA 76 Ca -0.10 0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1sg7 h ALA 76 Cb 0.78 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 1sg7 h ALA 76 CO 0.17 -0.41 0.41 -1.49 0.00 0.00 0.00 179.25 177.92 1sg7 h TRP 77 N 0.21 0.86 -0.68 0.00 4.06 -0.97 0.19 115.95 119.62 1sg7 h TRP 77 Ca 0.49 0.00 0.13 0.00 2.06 0.00 0.00 58.89 61.57 1sg7 h TRP 77 Cb 0.91 -0.28 -0.09 0.00 -1.00 0.00 0.00 29.16 28.70 1sg7 h TRP 77 CO -0.29 0.57 0.20 0.00 -3.56 0.00 0.00 178.44 175.36 1sg7 h ALA 78 N 1.22 0.88 -0.45 1.49 0.00 0.13 1.67 119.26 124.19 1sg7 h ALA 78 Ca 0.24 0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.25 1sg7 h ALA 78 Cb -0.05 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1sg7 h ALA 78 CO -0.05 -0.27 0.16 0.00 0.00 0.00 0.00 179.25 179.10 1sg7 h ALA 79 N 1.52 0.59 -0.09 0.00 0.00 -0.51 -1.21 119.26 119.57 1sg7 h ALA 79 Ca 0.36 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1sg7 h ALA 79 Cb 0.55 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1sg7 h ALA 79 CO -0.41 0.22 0.06 0.28 0.00 0.00 0.00 179.25 179.39 1sg7 h VAL 80 N 0.59 1.04 0.00 0.00 2.07 0.14 -0.28 116.25 119.81 1sg7 h VAL 80 Ca 0.15 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.57 1sg7 h VAL 80 Cb 0.23 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1sg7 h VAL 80 CO -0.01 0.04 0.00 0.29 0.02 0.00 0.00 177.57 177.91 1sg7 n LYS 81 N -5.01 0.17 -0.05 1.57 5.02 0.54 0.27 118.16 120.67 1sg7 n LYS 81 Ca -0.05 0.53 -0.20 0.00 -2.02 0.00 0.00 58.31 56.57 1sg7 n LYS 81 Cb 0.04 -1.92 -0.13 0.00 -0.02 0.00 0.00 35.03 33.00 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 0.17 0.00 2.13 2.76 -0.01 -3.38 115.15 116.82 1sg7 h HIS 82 Ca 0.00 -0.13 0.00 0.00 -2.20 0.00 0.00 60.37 58.04 1sg7 h HIS 82 Cb 0.18 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.14 1sg7 h HIS 82 CO 0.00 1.40 -1.05 0.39 -1.30 0.00 0.00 177.93 177.37 1sg7 n GLU 83 N -4.28 0.21 -4.14 5.26 1.02 -0.23 -4.12 120.64 114.35 1sg7 n GLU 83 Ca -0.24 -0.02 -0.16 0.00 -0.02 0.00 0.00 57.16 56.72 1sg7 n GLU 83 Cb 0.72 -1.55 -0.12 0.00 -0.02 0.00 0.00 31.44 30.47 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 -3.15 0.85 0.05 -0.32 1.51 0.77 0.27 117.35 117.33 1sg7 s TYR 84 Ca 0.05 -0.42 0.08 0.00 -1.01 0.00 0.00 57.07 55.77 1sg7 s TYR 84 Cb 0.15 -0.50 -0.03 0.00 -0.11 0.00 0.00 41.96 41.47 1sg7 s TYR 84 CO 0.82 -0.03 -0.23 0.00 -1.11 0.00 0.00 175.55 175.00 1sg7 s ALA 85 N -1.14 1.98 -0.27 3.71 0.00 0.36 -3.59 121.76 122.81 1sg7 s ALA 85 Ca -0.05 -1.17 -0.17 0.00 0.00 0.00 0.00 51.96 50.57 1sg7 s ALA 85 Cb -0.09 -0.39 -0.03 0.00 0.00 0.00 0.00 23.12 22.61 1sg7 s ALA 85 CO 0.01 0.46 0.46 0.21 0.00 0.00 0.00 175.76 176.90 1sg7 s LYS 86 N -1.26 4.01 0.00 0.00 2.20 -1.26 0.11 119.74 123.53 1sg7 s LYS 86 Ca 0.09 0.17 0.00 0.00 -0.36 0.00 0.00 55.97 55.87 1sg7 s LYS 86 Cb -0.09 -3.67 0.00 0.00 -1.51 0.00 0.00 37.83 32.56 1sg7 s LYS 86 CO 0.02 -0.35 0.00 0.41 -0.36 0.00 0.00 175.35 175.07 1sg7 n GLY 87 N 4.54 -3.38 1.41 5.54 0.00 0.15 -4.81 105.19 108.65 1sg7 n GLY 87 Ca -0.06 -1.25 -0.07 0.00 0.00 0.00 0.00 46.02 44.64 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 -1.87 3.89 0.00 1.61 5.75 -1.26 -4.50 116.55 120.17 1sg7 n ASP 88 Ca 0.00 -2.49 0.00 0.00 -0.01 0.00 0.00 54.79 52.29 1sg7 n ASP 88 Cb 0.00 -0.71 0.00 0.00 -1.03 0.00 0.00 41.12 39.38 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 0.29 0.00 -0.59 -1.12 8.00 -1.26 -5.05 116.55 116.82 1sg7 n ASP 89 Ca 0.15 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.63 1sg7 n ASP 89 Cb 0.73 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.81 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 -0.20 -0.33 -4.35 -2.24 9.92 -1.26 -5.14 116.55 112.94 1sg7 n ASP 90 Ca 0.00 -0.77 -0.20 0.00 -0.53 0.00 0.00 54.79 53.29 1sg7 n ASP 90 Cb 0.00 0.10 -0.10 0.00 -0.64 0.00 0.00 41.12 40.47 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 0.00 1.34 0.30 -1.24 1.02 -1.26 -4.74 119.74 115.17 1sg7 s LYS 91 Ca 0.00 -1.53 0.11 0.00 0.02 0.00 0.00 55.97 54.57 1sg7 s LYS 91 Cb 0.00 -1.28 -0.05 0.00 -0.52 0.00 0.00 37.83 35.98 1sg7 s LYS 91 CO 0.00 0.24 -0.16 -1.58 -0.92 0.00 0.00 175.35 172.92 1sg7 s TRP 92 N -2.53 2.33 -0.10 3.18 0.52 -0.18 0.31 118.94 122.47 1sg7 s TRP 92 Ca 0.20 -0.38 -0.10 0.00 0.02 0.00 0.00 56.10 55.85 1sg7 s TRP 92 Cb -0.03 -1.12 0.03 0.00 -1.15 0.00 0.00 33.47 31.19 1sg7 s TRP 92 CO 0.08 0.67 0.27 -3.38 0.02 0.00 0.00 176.95 174.61 1sg7 s HIS 93 N -2.54 -0.29 0.00 -1.98 -3.43 0.30 -4.17 115.29 103.18 1sg7 s HIS 93 Ca 0.31 0.71 -0.33 0.00 -0.80 0.00 0.00 55.06 54.96 1sg7 s HIS 93 Cb -0.03 0.10 -0.11 0.00 -1.43 0.00 0.00 32.58 31.11 1sg7 s HIS 93 CO 0.16 -0.15 1.87 1.17 -2.00 0.00 0.00 174.74 175.79 1sg7 n LYS 94 N 2.90 2.47 0.00 -0.38 4.81 -1.26 0.13 118.16 126.83 1sg7 n LYS 94 Ca -0.13 0.90 0.00 0.00 -0.87 0.00 0.00 58.31 58.21 1sg7 n LYS 94 Cb 0.58 -2.78 0.00 0.00 0.02 0.00 0.00 35.03 32.85 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 6.44 0.00 0.00 1.64 4.76 0.75 -4.80 118.16 126.95 1sg7 n LYS 95 Ca 0.21 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.65 1sg7 n LYS 95 Cb 0.34 -0.42 0.00 0.00 -1.84 0.00 0.00 35.03 33.11 1sg7 n LYS 95 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48