#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 2.54 -0.08 6.00 2.02 -1.26 -4.79 117.35 121.78 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 -1.55 -0.04 0.00 -0.40 0.00 0.00 41.96 39.97 1sg7 s TYR 23 CO 0.00 0.13 -0.08 1.63 -1.57 0.00 0.00 175.55 175.65 1sg7 n LYS 24 N 2.18 0.18 0.07 -0.62 4.76 -1.26 -4.99 118.16 118.49 1sg7 n LYS 24 Ca -0.17 0.06 0.00 0.00 -2.87 0.00 0.00 58.31 55.33 1sg7 n LYS 24 Cb 0.52 -1.01 0.00 0.00 -1.84 0.00 0.00 35.03 32.70 1sg7 n LYS 24 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1sg7 n THR 25 N -2.98 0.82 0.00 -0.18 -2.24 -1.26 -5.08 114.28 103.36 1sg7 n THR 25 Ca -0.14 0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 1sg7 n THR 25 Cb 0.63 -1.27 0.00 0.00 -2.10 0.00 0.00 70.33 67.59 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 -3.45 0.00 0.31 -0.78 4.81 -1.26 -4.87 118.16 112.92 1sg7 n LYS 26 Ca 0.00 0.00 0.20 0.00 -0.87 0.00 0.00 58.31 57.64 1sg7 n LYS 26 Cb 0.03 0.00 1.09 0.00 0.02 0.00 0.00 35.03 36.17 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 0.33 3.14 4.64 -1.98 0.20 113.55 119.89 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 -3.54 4.97 3.32 -1.91 -3.44 116.42 115.82 1sg7 h ASP 28 Ca 0.00 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.54 1sg7 h ASP 28 Cb 0.03 0.00 0.21 0.00 0.22 0.00 0.00 39.33 39.80 1sg7 h ASP 28 CO 0.00 0.00 -0.35 0.18 -1.72 0.00 0.00 179.24 177.35 1sg7 n LEU 29 N -3.09 0.53 -4.77 1.55 4.77 0.06 -4.80 117.00 111.24 1sg7 n LEU 29 Ca -0.02 0.28 -0.40 0.00 -0.03 0.00 0.00 56.01 55.84 1sg7 n LEU 29 Cb 0.15 -1.27 -0.01 0.00 -2.33 0.00 0.00 43.42 39.96 1sg7 n LEU 29 CO 0.22 -3.12 0.97 -2.84 -1.33 0.00 0.00 177.39 171.29 1sg7 s PRO 30 N -3.97 4.17 0.22 3.23 0.02 -1.26 -4.72 135.00 132.69 1sg7 s PRO 30 Ca 0.61 2.19 -0.10 0.00 0.02 0.00 0.00 61.00 63.71 1sg7 s PRO 30 Cb -0.21 -2.92 0.31 0.00 0.02 0.00 0.00 34.50 31.70 1sg7 s PRO 30 CO 0.64 -0.33 1.66 1.05 -0.33 0.00 0.00 177.00 179.69 1sg7 h GLU 31 N 3.04 0.11 0.00 5.54 4.11 -1.92 1.16 114.58 126.61 1sg7 h GLU 31 Ca -0.49 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 58.93 1sg7 h GLU 31 Cb 1.24 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1sg7 h GLU 31 CO 0.64 0.07 0.00 0.66 0.07 0.00 0.00 179.01 180.45 1sg7 h SER 32 N 0.11 0.00 0.00 3.06 4.64 -1.93 0.96 113.55 120.38 1sg7 h SER 32 Ca 0.33 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.46 1sg7 h SER 32 Cb 0.54 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.60 1sg7 h SER 32 CO -0.55 0.00 -1.23 0.52 -0.87 0.00 0.00 176.83 174.70 1sg7 n VAL 33 N -2.50 1.50 0.20 0.95 0.31 0.36 -4.23 118.33 114.92 1sg7 n VAL 33 Ca -0.02 -0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.36 1sg7 n VAL 33 Cb 0.07 -2.12 0.43 0.00 -0.91 0.00 0.00 33.84 31.31 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 -0.95 5.55 1.57 0.11 0.22 116.57 122.07 1sg7 h LYS 34 Ca -0.29 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.48 1sg7 h LYS 34 Cb 1.13 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.44 1sg7 h LYS 34 CO -0.18 0.31 0.00 0.72 -0.57 0.00 0.00 179.45 179.74 1sg7 n HIS 35 N -3.94 0.28 0.00 -1.35 8.25 0.33 -3.65 115.22 115.13 1sg7 n HIS 35 Ca -0.02 -0.13 0.00 0.00 -0.26 0.00 0.00 57.72 57.32 1sg7 n HIS 35 Cb 0.38 -0.16 0.00 0.00 1.12 0.00 0.00 29.99 31.32 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 0.09 0.00 -2.73 1.59 0.24 -0.99 -4.88 118.33 111.64 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 0.39 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.73 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 -1.20 4.38 0.00 1.34 1.02 0.73 -0.95 118.68 124.00 1sg7 s LEU 37 Ca 0.00 1.65 0.00 0.00 0.02 0.00 0.00 54.13 55.80 1sg7 s LEU 37 Cb 0.00 -3.55 0.00 0.00 0.02 0.00 0.00 46.19 42.66 1sg7 s LEU 37 CO 0.00 -0.23 0.54 -2.65 0.02 0.00 0.00 176.35 174.03 1sg7 n PRO 38 N 3.75 0.00 0.00 1.29 -0.02 -1.26 -4.84 135.00 133.92 1sg7 n PRO 38 Ca 0.05 0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 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 -0.72 0.00 0.00 2.55 2.88 -1.26 -4.90 113.62 112.18 1sg7 n SER 39 Ca 0.00 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.61 1sg7 n SER 39 Cb 0.00 0.23 0.31 0.00 -0.75 0.00 0.00 64.21 64.00 1sg7 n SER 39 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 1sg7 n HIS 40 N -2.23 0.03 0.18 0.66 -0.00 -1.26 -2.22 115.22 110.38 1sg7 n HIS 40 Ca 0.00 0.01 0.04 0.00 -0.00 0.00 0.00 57.72 57.77 1sg7 n HIS 40 Cb 0.00 -0.52 0.34 0.00 -0.00 0.00 0.00 29.99 29.82 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 2.48 1.15 -0.11 1.57 0.00 -1.92 -0.20 119.26 122.22 1sg7 h ALA 41 Ca 0.00 -0.37 -0.19 0.00 0.00 0.00 0.00 54.91 54.35 1sg7 h ALA 41 Cb 0.25 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.98 1sg7 h ALA 41 CO 0.00 0.51 -0.67 1.96 0.00 0.00 0.00 179.25 181.05 1sg7 h GLN 42 N 0.00 0.66 -0.84 0.00 4.20 -1.79 0.89 115.11 118.23 1sg7 h GLN 42 Ca -0.00 -0.55 -0.02 0.00 0.06 0.00 0.00 58.65 58.13 1sg7 h GLN 42 Cb 0.81 0.12 -0.04 0.00 0.30 0.00 0.00 27.48 28.67 1sg7 h GLN 42 CO 0.05 1.17 0.43 0.22 -0.67 0.00 0.00 178.83 180.03 1sg7 h ASP 43 N 0.32 1.08 0.33 1.46 1.82 -1.60 0.58 116.42 120.42 1sg7 h ASP 43 Ca -0.05 -0.12 -0.02 0.00 -0.39 0.00 0.00 57.03 56.45 1sg7 h ASP 43 Cb 1.31 -0.28 0.00 0.00 0.68 0.00 0.00 39.33 41.05 1sg7 h ASP 43 CO 0.14 0.89 -0.16 0.40 -1.61 0.00 0.00 179.24 178.90 1sg7 h ILE 44 N 1.18 0.69 0.04 2.25 2.04 -0.88 0.42 117.51 123.24 1sg7 h ILE 44 Ca 0.29 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.81 1sg7 h ILE 44 Cb 0.08 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 1sg7 h ILE 44 CO -0.04 0.07 -0.13 0.22 0.00 0.00 0.00 178.15 178.26 1sg7 h TYR 45 N -0.64 -0.39 -0.35 1.37 5.03 0.13 0.39 116.97 122.51 1sg7 h TYR 45 Ca -0.05 0.01 0.08 0.00 2.58 0.00 0.00 58.73 61.35 1sg7 h TYR 45 Cb 0.46 0.16 -0.08 0.00 1.55 0.00 0.00 36.73 38.82 1sg7 h TYR 45 CO -0.01 -0.15 -0.26 -0.22 -1.32 0.00 0.00 178.16 176.20 1sg7 h LYS 46 N -0.20 -0.20 -0.81 1.82 3.64 0.10 0.93 116.57 121.85 1sg7 h LYS 46 Ca -0.00 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.42 1sg7 h LYS 46 Cb 0.20 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.02 1sg7 h LYS 46 CO -0.07 -0.14 0.53 0.93 -2.27 0.00 0.00 179.45 178.44 1sg7 h GLU 47 N -0.21 0.97 -0.19 1.90 5.08 -0.77 0.53 114.58 121.88 1sg7 h GLU 47 Ca 0.17 -0.06 -0.21 0.00 -1.00 0.00 0.00 59.36 58.26 1sg7 h GLU 47 Cb 0.48 -0.22 0.01 0.00 0.50 0.00 0.00 28.75 29.52 1sg7 h GLU 47 CO -0.48 0.64 -0.72 0.00 -1.00 0.00 0.00 179.01 177.46 1sg7 h ALA 48 N 1.53 0.34 0.43 3.43 0.00 0.11 -2.10 119.26 123.00 1sg7 h ALA 48 Ca 0.32 -0.58 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 1sg7 h ALA 48 Cb 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1sg7 h ALA 48 CO -0.09 0.68 -0.21 0.35 0.00 0.00 0.00 179.25 179.98 1sg7 h PHE 49 N 0.58 -0.54 -0.71 0.00 3.04 0.18 -1.78 116.94 117.71 1sg7 h PHE 49 Ca -0.04 -0.01 0.12 0.00 3.98 0.00 0.00 57.97 62.02 1sg7 h PHE 49 Cb 1.34 0.18 -0.09 0.00 2.56 0.00 0.00 35.95 39.94 1sg7 h PHE 49 CO 0.08 -0.31 0.29 -0.91 -2.02 0.00 0.00 178.31 175.44 1sg7 h ASN 50 N -0.62 0.29 -0.36 0.41 -0.26 -0.02 0.52 115.58 115.54 1sg7 h ASN 50 Ca -0.06 0.09 0.05 0.00 -0.56 0.00 0.00 56.30 55.83 1sg7 h ASN 50 Cb 0.47 0.06 -0.05 0.00 -1.06 0.00 0.00 38.32 37.74 1sg7 h ASN 50 CO 0.10 0.14 0.08 -1.28 -1.06 0.00 0.00 177.43 175.40 1sg7 h SER 51 N 0.46 0.02 0.15 5.81 0.87 -1.13 0.79 113.55 120.53 1sg7 h SER 51 Ca 0.38 0.06 -0.09 0.00 -1.23 0.00 0.00 61.79 60.91 1sg7 h SER 51 Cb 0.52 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.54 1sg7 h SER 51 CO -0.36 0.05 -0.30 0.00 -0.53 0.00 0.00 176.83 175.69 1sg7 h ALA 52 N 1.27 1.25 0.31 6.23 0.00 -0.25 0.52 119.26 128.59 1sg7 h ALA 52 Ca 0.17 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1sg7 h ALA 52 Cb 0.19 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1sg7 h ALA 52 CO -0.22 0.51 -0.15 2.35 0.00 0.00 0.00 179.25 181.74 1sg7 h TRP 53 N 0.22 -0.38 -0.53 0.00 7.01 0.17 0.31 115.95 122.74 1sg7 h TRP 53 Ca 0.03 -0.01 -0.07 0.00 2.11 0.00 0.00 58.89 60.95 1sg7 h TRP 53 Cb 0.65 0.13 -0.02 0.00 -2.10 0.00 0.00 29.16 27.82 1sg7 h TRP 53 CO 0.01 -0.07 0.04 0.22 -2.79 0.00 0.00 178.44 175.85 1sg7 h ASP 54 N -0.72 0.84 0.59 2.65 3.58 0.64 -2.00 116.42 122.00 1sg7 h ASP 54 Ca -0.04 -0.20 -0.06 0.00 0.42 0.00 0.00 57.03 57.15 1sg7 h ASP 54 Cb 0.49 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.31 1sg7 h ASP 54 CO 0.07 0.88 -0.28 1.56 -2.88 0.00 0.00 179.24 178.59 1sg7 h GLN 55 N 0.82 0.00 -2.76 0.28 4.20 0.12 -3.29 115.11 114.48 1sg7 h GLN 55 Ca 0.16 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.64 1sg7 h GLN 55 Cb 0.44 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.20 1sg7 h GLN 55 CO 0.02 0.28 1.06 0.98 -0.67 0.00 0.00 178.83 180.50 1sg7 n TYR 56 N -3.69 0.59 0.66 2.96 9.36 0.11 -4.40 117.16 122.74 1sg7 n TYR 56 Ca -0.01 -1.41 0.11 0.00 3.32 0.00 0.00 57.90 59.91 1sg7 n TYR 56 Cb 0.40 -1.40 0.45 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 3.24 0.07 -0.09 2.98 0.00 -1.24 -2.78 118.16 120.33 1sg7 n LYS 57 Ca 0.36 0.20 -0.14 0.00 0.00 0.00 0.00 58.31 58.72 1sg7 n LYS 57 Cb 0.41 -1.60 -0.04 0.00 0.00 0.00 0.00 35.03 33.80 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 0.89 -0.45 3.14 3.58 -1.94 -3.22 116.42 118.42 1sg7 h ASP 58 Ca 0.00 -0.50 -0.24 0.00 0.42 0.00 0.00 57.03 56.71 1sg7 h ASP 58 Cb 0.41 -0.25 -0.14 0.00 1.72 0.00 0.00 39.33 41.07 1sg7 h ASP 58 CO 0.00 1.21 0.02 1.17 -2.88 0.00 0.00 179.24 178.76 1sg7 n LYS 59 N -4.13 1.90 -0.00 0.28 4.81 -1.17 -4.65 118.16 115.20 1sg7 n LYS 59 Ca -0.04 -3.18 -0.17 0.00 -0.87 0.00 0.00 58.31 54.05 1sg7 n LYS 59 Cb 0.55 -1.87 -0.10 0.00 0.02 0.00 0.00 35.03 33.63 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 1.01 0.54 -0.63 1.64 4.39 -1.53 -3.29 114.58 116.72 1sg7 h GLU 60 Ca 0.29 -0.51 -0.30 0.00 0.34 0.00 0.00 59.36 59.18 1sg7 h GLU 60 Cb 1.83 0.13 -0.18 0.00 -0.10 0.00 0.00 28.75 30.43 1sg7 h GLU 60 CO 0.50 1.14 0.23 -0.25 -1.16 0.00 0.00 179.01 179.47 1sg7 n ASP 61 N -4.13 3.25 -4.75 1.42 9.92 -1.26 -4.97 116.55 116.02 1sg7 n ASP 61 Ca -0.09 -3.62 -0.31 0.00 -0.53 0.00 0.00 54.79 50.24 1sg7 n ASP 61 Cb 0.69 -0.72 -0.07 0.00 -0.64 0.00 0.00 41.12 40.38 1sg7 n ASP 61 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1sg7 s ARG 62 N -3.22 2.81 0.59 -1.24 1.81 -1.24 -4.99 118.95 113.47 1sg7 s ARG 62 Ca 0.50 -0.70 0.38 0.00 -1.72 0.00 0.00 55.73 54.19 1sg7 s ARG 62 Cb 0.43 -2.69 1.76 0.00 -0.45 0.00 0.00 34.95 34.00 1sg7 s ARG 62 CO 0.06 0.57 2.13 0.07 -0.68 0.00 0.00 175.30 177.45 1sg7 h ARG 63 N 3.49 0.00 -1.88 3.54 0.11 -1.93 -3.08 114.38 114.63 1sg7 h ARG 63 Ca -0.47 0.00 -0.43 0.00 0.10 0.00 0.00 59.98 59.18 1sg7 h ARG 63 Cb 1.17 0.00 -0.16 0.00 1.11 0.00 0.00 29.97 32.09 1sg7 h ARG 63 CO 0.63 0.00 0.32 -3.47 0.10 0.00 0.00 179.97 177.56 1sg7 n ASP 64 N -3.08 6.35 0.22 0.08 2.03 -1.26 -4.60 116.55 116.29 1sg7 n ASP 64 Ca -0.01 -3.10 0.12 0.00 0.52 0.00 0.00 54.79 52.32 1sg7 n ASP 64 Cb 0.22 -1.21 0.70 0.00 -0.72 0.00 0.00 41.12 40.11 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 2.62 0.00 -0.95 1.67 5.19 -1.79 -1.80 116.42 121.36 1sg7 h ASP 65 Ca 0.35 0.00 0.12 0.00 -0.62 0.00 0.00 57.03 56.87 1sg7 h ASP 65 Cb 0.84 0.00 -0.08 0.00 0.18 0.00 0.00 39.33 40.27 1sg7 h ASP 65 CO 0.78 0.00 0.58 0.00 -3.12 0.00 0.00 179.24 177.49 1sg7 h ALA 66 N 1.94 1.42 -0.58 3.45 0.00 -1.91 0.80 119.26 124.39 1sg7 h ALA 66 Ca 0.05 0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.07 1sg7 h ALA 66 Cb 0.19 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 17.73 1sg7 h ALA 66 CO -0.00 0.17 0.20 1.03 0.00 0.00 0.00 179.25 180.65 1sg7 h SER 67 N 0.92 0.17 0.39 0.00 0.87 -1.72 0.94 113.55 115.13 1sg7 h SER 67 Ca 0.47 0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 61.10 1sg7 h SER 67 Cb 0.48 0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.49 1sg7 h SER 67 CO -0.27 0.11 -0.37 -0.09 -0.53 0.00 0.00 176.83 175.68 1sg7 h ARG 68 N 0.37 -0.73 -0.66 2.24 1.12 -0.97 1.00 114.38 116.75 1sg7 h ARG 68 Ca 0.29 0.05 0.14 0.00 -1.11 0.00 0.00 59.98 59.35 1sg7 h ARG 68 Cb 0.36 0.17 -0.12 0.00 -0.01 0.00 0.00 29.97 30.37 1sg7 h ARG 68 CO -0.31 -0.49 -0.04 1.49 -3.11 0.00 0.00 179.97 177.51 1sg7 h GLU 69 N -0.76 0.08 0.41 0.20 4.81 -0.67 0.25 114.58 118.90 1sg7 h GLU 69 Ca -0.05 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 1sg7 h GLU 69 Cb 0.65 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.99 1sg7 h GLU 69 CO -0.04 0.05 -0.46 1.49 -0.73 0.00 0.00 179.01 179.32 1sg7 h GLU 70 N 0.08 -0.87 -0.34 1.92 4.57 0.15 0.19 114.58 120.28 1sg7 h GLU 70 Ca 0.34 0.06 0.08 0.00 -1.18 0.00 0.00 59.36 58.66 1sg7 h GLU 70 Cb 0.56 0.20 -0.08 0.00 -0.16 0.00 0.00 28.75 29.27 1sg7 h GLU 70 CO -0.60 -0.58 -0.21 1.15 -1.18 0.00 0.00 179.01 177.58 1sg7 h THR 71 N -0.90 0.41 -0.75 0.32 2.02 0.23 0.19 112.91 114.42 1sg7 h THR 71 Ca -0.04 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.29 1sg7 h THR 71 Cb 0.81 0.41 -0.10 0.00 -1.74 0.00 0.00 68.15 67.53 1sg7 h THR 71 CO -0.09 0.00 0.27 0.00 0.37 0.00 0.00 175.52 176.07 1sg7 h ALA 72 N 1.01 1.04 -0.39 6.16 0.00 -0.19 0.66 119.26 127.55 1sg7 h ALA 72 Ca 0.17 0.13 0.07 0.00 0.00 0.00 0.00 54.91 55.28 1sg7 h ALA 72 Cb 0.44 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.28 1sg7 h ALA 72 CO -0.44 -0.24 -0.02 0.45 0.00 0.00 0.00 179.25 179.00 1sg7 h HIS 73 N 0.40 -0.05 -0.48 0.00 -0.00 0.22 0.71 115.15 115.95 1sg7 h HIS 73 Ca 0.42 0.03 0.01 0.00 -0.00 0.00 0.00 60.37 60.83 1sg7 h HIS 73 Cb 0.65 0.08 -0.03 0.00 -0.00 0.00 0.00 27.41 28.12 1sg7 h HIS 73 CO -0.19 -0.09 0.30 0.87 -0.00 0.00 0.00 177.93 178.83 1sg7 h LYS 74 N 0.08 0.60 0.75 2.45 6.56 0.19 -0.83 116.57 126.37 1sg7 h LYS 74 Ca 0.19 -0.04 -0.04 0.00 -1.06 0.00 0.00 60.65 59.71 1sg7 h LYS 74 Cb 0.27 -0.13 0.01 0.00 -0.57 0.00 0.00 32.23 31.80 1sg7 h LYS 74 CO -0.33 0.39 -0.36 0.28 -2.06 0.00 0.00 179.45 177.37 1sg7 h VAL 75 N 0.61 0.13 -0.74 0.50 2.07 0.12 -1.19 116.25 117.76 1sg7 h VAL 75 Ca 0.18 -0.20 0.17 0.00 0.82 0.00 0.00 66.70 67.66 1sg7 h VAL 75 Cb -0.04 0.16 -0.13 0.00 -1.52 0.00 0.00 31.29 29.76 1sg7 h VAL 75 CO -0.06 0.01 0.02 0.00 0.02 0.00 0.00 177.57 177.57 1sg7 h ALA 76 N -1.07 0.78 -0.65 1.67 0.00 0.44 0.40 119.26 120.83 1sg7 h ALA 76 Ca -0.10 0.23 0.02 0.00 0.00 0.00 0.00 54.91 55.05 1sg7 h ALA 76 Cb 0.79 0.39 -0.04 0.00 0.00 0.00 0.00 17.79 18.93 1sg7 h ALA 76 CO 0.17 -0.41 0.42 -1.49 0.00 0.00 0.00 179.25 177.94 1sg7 h TRP 77 N 0.12 0.79 -0.79 0.00 4.06 -1.09 -0.00 115.95 119.04 1sg7 h TRP 77 Ca 0.40 0.02 0.16 0.00 2.06 0.00 0.00 58.89 61.54 1sg7 h TRP 77 Cb 0.70 -0.26 -0.11 0.00 -1.00 0.00 0.00 29.16 28.49 1sg7 h TRP 77 CO -0.40 0.48 0.31 0.00 -3.56 0.00 0.00 178.44 175.27 1sg7 h ALA 78 N 1.26 1.14 -0.35 1.49 0.00 0.10 1.55 119.26 124.44 1sg7 h ALA 78 Ca 0.25 0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.26 1sg7 h ALA 78 Cb -0.05 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1sg7 h ALA 78 CO -0.07 -0.26 0.11 0.00 0.00 0.00 0.00 179.25 179.03 1sg7 h ALA 79 N 1.60 0.46 0.07 0.00 0.00 -0.26 -0.39 119.26 120.75 1sg7 h ALA 79 Ca 0.45 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 1sg7 h ALA 79 Cb 0.75 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1sg7 h ALA 79 CO -0.45 0.10 -0.04 0.28 0.00 0.00 0.00 179.25 179.14 1sg7 h VAL 80 N 0.42 0.91 0.00 0.00 2.07 0.14 0.81 116.25 120.60 1sg7 h VAL 80 Ca 0.11 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.63 1sg7 h VAL 80 Cb 0.25 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1sg7 h VAL 80 CO -0.00 0.00 0.00 0.11 0.02 0.00 0.00 177.57 177.70 1sg7 h LYS 81 N -0.11 0.00 0.00 1.57 1.57 0.22 2.89 116.57 122.70 1sg7 h LYS 81 Ca -0.01 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.67 1sg7 h LYS 81 Cb 0.09 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 1sg7 h LYS 81 CO 0.01 0.00 -0.56 1.25 -0.57 0.00 0.00 179.45 179.58 1sg7 h HIS 82 N 0.00 0.00 0.00 -1.35 2.76 0.33 -3.38 115.15 113.51 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 0.18 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.14 1sg7 h HIS 82 CO 0.00 1.22 -0.90 0.39 -1.30 0.00 0.00 177.93 177.33 1sg7 n GLU 83 N -4.53 0.21 -4.14 5.26 1.02 0.14 -4.44 120.64 114.17 1sg7 n GLU 83 Ca -0.20 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 56.79 1sg7 n GLU 83 Cb 0.57 -1.58 -0.11 0.00 -0.02 0.00 0.00 31.44 30.30 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 -3.14 0.99 0.02 -0.32 1.51 0.96 0.26 117.35 117.62 1sg7 s TYR 84 Ca 0.06 -0.54 0.07 0.00 -1.01 0.00 0.00 57.07 55.65 1sg7 s TYR 84 Cb 0.15 -0.56 -0.02 0.00 -0.11 0.00 0.00 41.96 41.42 1sg7 s TYR 84 CO 0.78 -0.01 -0.22 0.00 -1.11 0.00 0.00 175.55 174.99 1sg7 s ALA 85 N -1.69 1.88 -0.30 3.71 0.00 0.28 -3.50 121.76 122.13 1sg7 s ALA 85 Ca -0.02 -1.05 -0.19 0.00 0.00 0.00 0.00 51.96 50.69 1sg7 s ALA 85 Cb -0.08 -0.42 -0.01 0.00 0.00 0.00 0.00 23.12 22.61 1sg7 s ALA 85 CO 0.01 0.44 0.59 0.21 0.00 0.00 0.00 175.76 177.01 1sg7 s LYS 86 N -0.91 3.89 0.48 0.00 2.20 -1.26 0.95 119.74 125.09 1sg7 s LYS 86 Ca 0.09 0.23 -0.08 0.00 -0.36 0.00 0.00 55.97 55.85 1sg7 s LYS 86 Cb -0.09 -3.72 0.12 0.00 -1.51 0.00 0.00 37.83 32.63 1sg7 s LYS 86 CO 0.01 -0.54 0.28 0.41 -0.36 0.00 0.00 175.35 175.15 1sg7 n GLY 87 N 4.48 -3.58 1.07 5.54 0.00 0.30 -4.77 105.19 108.22 1sg7 n GLY 87 Ca -0.02 -1.17 -0.00 0.00 0.00 0.00 0.00 46.02 44.82 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 -3.67 3.30 0.00 1.61 5.75 -1.26 -4.37 116.55 117.92 1sg7 n ASP 88 Ca 0.04 -2.05 0.00 0.00 -0.01 0.00 0.00 54.79 52.77 1sg7 n ASP 88 Cb 0.19 -0.58 0.00 0.00 -1.03 0.00 0.00 41.12 39.70 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 0.62 0.00 -0.62 -1.12 8.00 -1.26 -5.05 116.55 117.12 1sg7 n ASP 89 Ca 0.00 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.48 1sg7 n ASP 89 Cb 0.50 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.58 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 -0.06 -0.35 -4.34 -2.24 9.92 -1.26 -5.14 116.55 113.08 1sg7 n ASP 90 Ca 0.00 -0.78 -0.18 0.00 -0.53 0.00 0.00 54.79 53.30 1sg7 n ASP 90 Cb 0.00 0.10 -0.10 0.00 -0.64 0.00 0.00 41.12 40.48 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 1.32 0.32 -1.24 1.02 -1.26 -4.66 119.74 115.24 1sg7 s LYS 91 Ca 0.00 -1.59 0.10 0.00 0.02 0.00 0.00 55.97 54.49 1sg7 s LYS 91 Cb 0.00 -1.08 -0.06 0.00 -0.52 0.00 0.00 37.83 36.17 1sg7 s LYS 91 CO 0.00 0.16 -0.12 -1.58 -0.92 0.00 0.00 175.35 172.89 1sg7 s TRP 92 N -3.01 2.30 -0.12 3.18 0.52 -0.13 0.11 118.94 121.80 1sg7 s TRP 92 Ca 0.23 -0.48 -0.10 0.00 0.02 0.00 0.00 56.10 55.76 1sg7 s TRP 92 Cb -0.00 -1.24 0.04 0.00 -1.15 0.00 0.00 33.47 31.11 1sg7 s TRP 92 CO 0.07 0.58 0.32 -3.38 0.02 0.00 0.00 176.95 174.55 1sg7 s HIS 93 N -2.64 -0.37 -0.03 -1.98 -3.43 0.27 -4.27 115.29 102.84 1sg7 s HIS 93 Ca 0.31 0.88 -0.34 0.00 -0.80 0.00 0.00 55.06 55.11 1sg7 s HIS 93 Cb 0.01 0.12 -0.12 0.00 -1.43 0.00 0.00 32.58 31.16 1sg7 s HIS 93 CO 0.15 -0.19 1.79 1.17 -2.00 0.00 0.00 174.74 175.66 1sg7 n LYS 94 N 3.22 2.11 0.01 -0.38 4.81 -1.26 0.10 118.16 126.77 1sg7 n LYS 94 Ca -0.16 0.77 -0.09 0.00 -0.87 0.00 0.00 58.31 57.96 1sg7 n LYS 94 Cb 0.57 -2.59 -0.14 0.00 0.02 0.00 0.00 35.03 32.90 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 8.25 0.03 -0.03 1.64 1.79 0.33 -3.45 116.57 125.13 1sg7 h LYS 95 Ca -0.48 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 57.95 1sg7 h LYS 95 Cb 1.27 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.94 1sg7 h LYS 95 CO 0.93 0.69 0.00 0.45 -1.08 0.00 0.00 179.45 180.44