#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 2.56 0.00 6.00 2.02 -1.26 -4.78 117.35 121.89 1sg7 s TYR 23 Ca 0.00 -0.27 0.00 0.00 -0.37 0.00 0.00 57.07 56.43 1sg7 s TYR 23 Cb 0.00 -1.56 0.00 0.00 -0.40 0.00 0.00 41.96 40.00 1sg7 s TYR 23 CO 0.00 0.12 0.00 1.63 -1.57 0.00 0.00 175.55 175.73 1sg7 n LYS 24 N 2.24 0.09 0.06 -0.62 4.76 -1.26 -4.98 118.16 118.44 1sg7 n LYS 24 Ca -0.17 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.27 1sg7 n LYS 24 Cb 0.52 -0.99 0.00 0.00 -1.84 0.00 0.00 35.03 32.71 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 -2.48 0.68 0.00 -0.18 -2.24 -1.26 -5.08 114.28 103.72 1sg7 n THR 25 Ca 0.00 0.23 0.00 0.00 -2.27 0.00 0.00 64.05 62.01 1sg7 n THR 25 Cb 0.49 -1.29 0.00 0.00 -2.10 0.00 0.00 70.33 67.44 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 0.30 -0.78 4.81 -1.26 -4.92 118.16 112.97 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 0.09 0.00 1.00 0.00 0.02 0.00 0.00 35.03 36.14 1sg7 n LYS 26 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1sg7 h SER 27 N 0.00 0.00 0.23 3.14 0.87 -1.98 0.68 113.55 116.49 1sg7 h SER 27 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1sg7 h SER 27 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1sg7 h SER 27 CO 0.00 0.00 0.00 0.44 -0.53 0.00 0.00 176.83 176.74 1sg7 h ASP 28 N 0.00 0.00 -3.48 6.23 5.19 -1.92 -3.44 116.42 119.00 1sg7 h ASP 28 Ca 0.02 0.00 -0.51 0.00 -0.62 0.00 0.00 57.03 55.92 1sg7 h ASP 28 Cb 0.31 0.00 0.21 0.00 0.18 0.00 0.00 39.33 40.04 1sg7 h ASP 28 CO -0.00 0.00 -0.37 0.18 -3.12 0.00 0.00 179.24 175.93 1sg7 n LEU 29 N -2.76 0.36 -4.76 1.55 4.77 0.23 -4.81 117.00 111.59 1sg7 n LEU 29 Ca -0.01 0.24 -0.41 0.00 -0.03 0.00 0.00 56.01 55.80 1sg7 n LEU 29 Cb 0.11 -1.25 -0.02 0.00 -2.33 0.00 0.00 43.42 39.92 1sg7 n LEU 29 CO 0.18 -3.11 1.02 -2.84 -1.33 0.00 0.00 177.39 171.31 1sg7 s PRO 30 N -3.97 4.33 0.18 3.23 0.02 -1.26 -4.75 135.00 132.78 1sg7 s PRO 30 Ca 0.61 2.23 -0.17 0.00 0.02 0.00 0.00 61.00 63.69 1sg7 s PRO 30 Cb -0.21 -3.10 0.15 0.00 0.02 0.00 0.00 34.50 31.36 1sg7 s PRO 30 CO 0.64 -0.27 1.64 1.05 -0.33 0.00 0.00 177.00 179.73 1sg7 h GLU 31 N 4.13 -0.05 0.00 5.54 4.11 -1.92 1.04 114.58 127.43 1sg7 h GLU 31 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 1sg7 h GLU 31 Cb 1.22 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1sg7 h GLU 31 CO 0.71 -0.03 0.06 -1.13 0.07 0.00 0.00 179.01 178.69 1sg7 n SER 32 N -5.38 0.45 -0.10 3.06 3.41 -1.26 0.82 113.62 114.61 1sg7 n SER 32 Ca 0.04 0.68 -0.17 0.00 -0.26 0.00 0.00 58.87 59.16 1sg7 n SER 32 Cb 0.29 -0.72 -0.07 0.00 -0.26 0.00 0.00 64.21 63.44 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 -2.12 1.50 0.22 -3.33 0.31 0.32 -4.25 118.33 110.99 1sg7 n VAL 33 Ca -0.01 -0.04 0.06 0.00 -0.01 0.00 0.00 64.34 64.34 1sg7 n VAL 33 Cb 0.09 -2.14 0.51 0.00 -0.91 0.00 0.00 33.84 31.39 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 -0.11 5.55 1.57 0.31 0.71 116.57 123.60 1sg7 h LYS 34 Ca -0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 1sg7 h LYS 34 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.46 1sg7 h LYS 34 CO -0.18 0.22 0.00 1.58 -0.57 0.00 0.00 179.45 180.50 1sg7 n HIS 35 N -4.10 0.11 0.00 -1.35 -0.00 0.24 -3.83 115.22 106.30 1sg7 n HIS 35 Ca -0.02 -0.05 0.00 0.00 0.46 0.00 0.00 57.72 58.11 1sg7 n HIS 35 Cb 0.29 -0.01 0.00 0.00 -0.12 0.00 0.00 29.99 30.15 1sg7 n HIS 35 CO 0.00 0.00 0.00 1.33 0.46 0.00 0.00 176.34 178.13 1sg7 n VAL 36 N -0.26 0.00 -3.18 3.57 0.24 -0.83 -4.94 118.33 112.94 1sg7 n VAL 36 Ca 0.03 0.00 -0.39 0.00 -2.04 0.00 0.00 64.34 61.94 1sg7 n VAL 36 Cb 0.07 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.39 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 -1.48 4.32 1.42 1.34 1.02 0.24 -0.14 118.68 125.41 1sg7 s LEU 37 Ca 0.00 1.04 -0.23 0.00 0.02 0.00 0.00 54.13 54.96 1sg7 s LEU 37 Cb 0.00 -2.90 0.37 0.00 0.02 0.00 0.00 46.19 43.67 1sg7 s LEU 37 CO 0.00 -0.03 0.93 -2.84 0.02 0.00 0.00 176.35 174.43 1sg7 s PRO 38 N 0.56 -2.93 0.00 1.29 0.02 -1.26 -4.71 135.00 127.97 1sg7 s PRO 38 Ca 0.32 0.12 0.00 0.00 0.02 0.00 0.00 61.00 61.45 1sg7 s PRO 38 Cb -0.17 -1.38 0.00 0.00 0.02 0.00 0.00 34.50 32.97 1sg7 s PRO 38 CO 0.15 -4.87 0.75 0.45 -0.33 0.00 0.00 177.00 173.15 1sg7 n SER 39 N -5.63 0.00 0.30 2.53 2.88 -1.26 -2.58 113.62 109.87 1sg7 n SER 39 Ca 0.13 0.75 0.17 0.00 -1.33 0.00 0.00 58.87 58.59 1sg7 n SER 39 Cb 0.60 -0.25 0.90 0.00 -0.75 0.00 0.00 64.21 64.71 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 -0.13 0.66 -0.00 -2.01 -1.34 115.15 112.34 1sg7 h HIS 40 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 60.37 60.24 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 -0.10 0.00 -0.50 0.00 -0.00 0.00 0.00 177.93 177.33 1sg7 h ALA 41 N 1.66 0.91 -0.39 5.26 0.00 -1.83 -1.67 119.26 123.20 1sg7 h ALA 41 Ca 0.00 -0.48 -0.16 0.00 0.00 0.00 0.00 54.91 54.28 1sg7 h ALA 41 Cb 0.32 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1sg7 h ALA 41 CO 0.00 0.66 -0.37 1.96 0.00 0.00 0.00 179.25 181.50 1sg7 h GLN 42 N 0.27 0.93 -0.73 0.00 4.20 -1.02 0.68 115.11 119.43 1sg7 h GLN 42 Ca 0.01 -0.48 -0.05 0.00 0.06 0.00 0.00 58.65 58.20 1sg7 h GLN 42 Cb 0.98 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.73 1sg7 h GLN 42 CO 0.08 1.13 0.27 0.22 -0.67 0.00 0.00 178.83 179.86 1sg7 h ASP 43 N 0.76 1.03 0.26 1.46 3.58 -1.56 0.34 116.42 122.29 1sg7 h ASP 43 Ca 0.07 -0.19 -0.01 0.00 0.42 0.00 0.00 57.03 57.32 1sg7 h ASP 43 Cb 0.96 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 41.74 1sg7 h ASP 43 CO 0.09 0.94 -0.12 0.40 -2.88 0.00 0.00 179.24 177.67 1sg7 h ILE 44 N 1.06 0.78 0.08 2.25 2.04 -0.95 0.41 117.51 123.17 1sg7 h ILE 44 Ca 0.24 -0.20 -0.00 0.00 1.00 0.00 0.00 64.86 65.90 1sg7 h ILE 44 Cb 0.25 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 1sg7 h ILE 44 CO -0.02 0.04 -0.12 0.22 0.00 0.00 0.00 178.15 178.27 1sg7 h TYR 45 N -0.45 -0.35 -0.36 1.37 5.03 0.80 0.25 116.97 123.25 1sg7 h TYR 45 Ca -0.04 0.01 0.08 0.00 2.58 0.00 0.00 58.73 61.36 1sg7 h TYR 45 Cb 0.34 0.14 -0.08 0.00 1.55 0.00 0.00 36.73 38.68 1sg7 h TYR 45 CO -0.03 -0.15 -0.23 -0.22 -1.32 0.00 0.00 178.16 176.21 1sg7 h LYS 46 N -0.21 -0.17 -0.78 1.82 3.64 -0.38 0.72 116.57 121.20 1sg7 h LYS 46 Ca -0.01 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.44 1sg7 h LYS 46 Cb 0.20 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.01 1sg7 h LYS 46 CO -0.04 -0.11 0.51 0.93 -2.27 0.00 0.00 179.45 178.47 1sg7 h GLU 47 N -0.17 0.86 -0.11 1.90 4.39 -0.82 0.43 114.58 121.06 1sg7 h GLU 47 Ca 0.18 -0.05 -0.23 0.00 0.34 0.00 0.00 59.36 59.60 1sg7 h GLU 47 Cb 0.45 -0.19 0.01 0.00 -0.10 0.00 0.00 28.75 28.92 1sg7 h GLU 47 CO -0.47 0.57 -0.84 0.00 -1.16 0.00 0.00 179.01 177.11 1sg7 h ALA 48 N 1.57 0.29 0.24 3.43 0.00 0.95 -2.82 119.26 122.91 1sg7 h ALA 48 Ca 0.33 -0.63 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1sg7 h ALA 48 Cb 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1sg7 h ALA 48 CO -0.11 0.70 -0.11 0.35 0.00 0.00 0.00 179.25 180.07 1sg7 h PHE 49 N 0.48 -0.30 -0.67 0.00 3.04 0.14 -2.38 116.94 117.25 1sg7 h PHE 49 Ca -0.07 -0.01 0.14 0.00 3.98 0.00 0.00 57.97 62.01 1sg7 h PHE 49 Cb 1.47 0.10 -0.10 0.00 2.56 0.00 0.00 35.95 39.98 1sg7 h PHE 49 CO 0.09 -0.13 0.12 -0.91 -2.02 0.00 0.00 178.31 175.46 1sg7 h ASN 50 N -0.40 -0.06 -0.47 0.41 -0.26 -0.23 0.60 115.58 115.16 1sg7 h ASN 50 Ca -0.03 0.14 0.05 0.00 -0.56 0.00 0.00 56.30 55.90 1sg7 h ASN 50 Cb 0.30 0.21 -0.05 0.00 -1.06 0.00 0.00 38.32 37.72 1sg7 h ASN 50 CO 0.05 -0.05 0.20 -1.28 -1.06 0.00 0.00 177.43 175.30 1sg7 h SER 51 N 0.23 0.24 0.40 5.81 0.87 -1.28 0.35 113.55 120.17 1sg7 h SER 51 Ca 0.37 0.04 -0.10 0.00 -1.23 0.00 0.00 61.79 60.88 1sg7 h SER 51 Cb 0.60 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.56 1sg7 h SER 51 CO -0.49 0.17 -0.44 0.00 -0.53 0.00 0.00 176.83 175.55 1sg7 h ALA 52 N 1.29 1.24 0.15 6.23 0.00 -0.50 0.91 119.26 128.58 1sg7 h ALA 52 Ca 0.22 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1sg7 h ALA 52 Cb 0.19 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1sg7 h ALA 52 CO -0.20 0.56 -0.07 2.35 0.00 0.00 0.00 179.25 181.89 1sg7 h TRP 53 N 0.04 -0.19 -0.01 0.00 7.01 0.18 -2.13 115.95 120.86 1sg7 h TRP 53 Ca 0.00 -0.00 -0.10 0.00 2.11 0.00 0.00 58.89 60.90 1sg7 h TRP 53 Cb 0.79 0.06 -0.01 0.00 -2.10 0.00 0.00 29.16 27.90 1sg7 h TRP 53 CO 0.00 0.14 -0.44 0.22 -2.79 0.00 0.00 178.44 175.57 1sg7 h ASP 54 N -0.53 0.03 0.63 2.65 3.58 -0.29 -2.38 116.42 120.11 1sg7 h ASP 54 Ca -0.02 -0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.38 1sg7 h ASP 54 Cb 0.41 -0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.45 1sg7 h ASP 54 CO 0.03 0.47 -0.14 1.56 -2.88 0.00 0.00 179.24 178.28 1sg7 h GLN 55 N 0.03 0.00 -2.58 0.28 4.20 -0.73 -3.25 115.11 113.06 1sg7 h GLN 55 Ca -0.00 0.00 -0.43 0.00 0.06 0.00 0.00 58.65 58.28 1sg7 h GLN 55 Cb 0.79 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.56 1sg7 h GLN 55 CO 0.06 0.14 1.87 0.98 -0.67 0.00 0.00 178.83 181.21 1sg7 n TYR 56 N -3.45 1.26 0.40 2.96 4.19 -0.81 -4.41 117.16 117.30 1sg7 n TYR 56 Ca -0.01 -2.29 0.07 0.00 3.31 0.00 0.00 57.90 58.98 1sg7 n TYR 56 Cb 0.31 -2.03 0.21 0.00 0.49 0.00 0.00 39.34 38.32 1sg7 n TYR 56 CO 0.00 0.00 0.00 1.63 0.91 0.00 0.00 176.86 179.40 1sg7 n LYS 57 N 3.12 2.32 -0.09 2.98 4.76 -1.23 -3.76 118.16 126.25 1sg7 n LYS 57 Ca 0.60 -1.71 -0.09 0.00 -2.87 0.00 0.00 58.31 54.24 1sg7 n LYS 57 Cb 0.53 -1.48 -0.16 0.00 -1.84 0.00 0.00 35.03 32.08 1sg7 n LYS 57 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1sg7 n ASP 58 N 0.76 0.07 -2.04 4.39 2.03 -1.26 -4.34 116.55 116.16 1sg7 n ASP 58 Ca 0.16 0.00 -0.23 0.00 0.52 0.00 0.00 54.79 55.24 1sg7 n ASP 58 Cb 0.47 1.04 0.09 0.00 -0.72 0.00 0.00 41.12 42.01 1sg7 n ASP 58 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1sg7 n LYS 59 N -2.71 2.13 -0.03 -0.67 4.81 -1.25 -4.21 118.16 116.23 1sg7 n LYS 59 Ca -0.31 -2.40 -0.12 0.00 -0.87 0.00 0.00 58.31 54.62 1sg7 n LYS 59 Cb 1.12 -1.94 -0.14 0.00 0.02 0.00 0.00 35.03 34.09 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 -0.52 0.66 0.18 1.64 0.28 -1.26 -4.09 120.64 117.53 1sg7 n GLU 60 Ca 0.47 0.25 0.10 0.00 -0.16 0.00 0.00 57.16 57.81 1sg7 n GLU 60 Cb 0.97 -1.73 0.10 0.00 1.43 0.00 0.00 31.44 32.21 1sg7 n GLU 60 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 1sg7 h ASP 61 N 0.01 0.00 -2.75 -1.84 5.19 -1.90 -3.45 116.42 111.69 1sg7 h ASP 61 Ca -0.36 0.00 -0.65 0.00 -0.62 0.00 0.00 57.03 55.40 1sg7 h ASP 61 Cb 2.05 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 41.49 1sg7 h ASP 61 CO 0.07 0.11 -0.40 0.00 -3.12 0.00 0.00 179.24 175.90 1sg7 s ARG 62 N -3.18 3.57 0.00 3.56 3.03 -1.26 -4.97 118.95 119.71 1sg7 s ARG 62 Ca 0.05 0.02 0.10 0.00 2.03 0.00 0.00 55.73 57.92 1sg7 s ARG 62 Cb 0.06 -3.19 0.48 0.00 -1.03 0.00 0.00 34.95 31.27 1sg7 s ARG 62 CO 0.71 0.75 1.23 2.89 -1.13 0.00 0.00 175.30 179.75 1sg7 n ARG 63 N 1.90 0.10 -0.69 3.89 1.85 -1.26 -3.65 116.66 118.80 1sg7 n ARG 63 Ca -0.18 0.23 -0.05 0.00 -1.00 0.00 0.00 57.85 56.85 1sg7 n ARG 63 Cb 0.54 -1.50 -0.07 0.00 -1.05 0.00 0.00 32.46 30.39 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 -1.34 5.25 0.26 2.89 2.03 -1.26 -4.41 116.55 119.96 1sg7 n ASP 64 Ca 0.04 -2.42 0.10 0.00 0.52 0.00 0.00 54.79 53.03 1sg7 n ASP 64 Cb 0.09 -1.23 0.69 0.00 -0.72 0.00 0.00 41.12 39.95 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 1.83 0.00 -0.89 1.67 5.19 -1.76 -1.79 116.42 120.66 1sg7 h ASP 65 Ca 0.07 0.00 0.14 0.00 -0.62 0.00 0.00 57.03 56.62 1sg7 h ASP 65 Cb 1.19 0.00 -0.07 0.00 0.18 0.00 0.00 39.33 40.63 1sg7 h ASP 65 CO 0.09 0.07 0.57 0.00 -3.12 0.00 0.00 179.24 176.85 1sg7 h ALA 66 N 1.93 1.80 -0.93 3.45 0.00 -1.94 0.31 119.26 123.88 1sg7 h ALA 66 Ca -0.00 0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.02 1sg7 h ALA 66 Cb 0.14 -0.14 -0.08 0.00 0.00 0.00 0.00 17.79 17.72 1sg7 h ALA 66 CO 0.01 -0.03 0.57 1.03 0.00 0.00 0.00 179.25 180.83 1sg7 h SER 67 N 0.72 0.86 0.44 0.00 0.87 -1.70 0.68 113.55 115.42 1sg7 h SER 67 Ca 0.44 0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 61.02 1sg7 h SER 67 Cb 0.67 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.48 1sg7 h SER 67 CO -0.20 0.49 -0.39 -0.09 -0.53 0.00 0.00 176.83 176.11 1sg7 h ARG 68 N 0.96 -0.79 -0.34 2.24 1.12 -0.50 0.94 114.38 118.01 1sg7 h ARG 68 Ca 0.44 0.05 0.07 0.00 -1.11 0.00 0.00 59.98 59.44 1sg7 h ARG 68 Cb 0.36 0.18 -0.08 0.00 -0.01 0.00 0.00 29.97 30.41 1sg7 h ARG 68 CO -0.23 -0.53 -0.26 1.49 -3.11 0.00 0.00 179.97 177.33 1sg7 h GLU 69 N -0.82 -0.22 -0.05 0.20 4.81 -0.99 0.36 114.58 117.88 1sg7 h GLU 69 Ca -0.06 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1sg7 h GLU 69 Cb 0.70 0.05 -0.05 0.00 0.63 0.00 0.00 28.75 30.08 1sg7 h GLU 69 CO -0.02 -0.14 -0.43 1.49 -0.73 0.00 0.00 179.01 179.17 1sg7 h GLU 70 N -0.22 -0.48 -0.52 1.92 4.57 0.73 1.00 114.58 121.57 1sg7 h GLU 70 Ca 0.17 0.03 0.10 0.00 -1.18 0.00 0.00 59.36 58.48 1sg7 h GLU 70 Cb 0.49 0.11 -0.09 0.00 -0.16 0.00 0.00 28.75 29.09 1sg7 h GLU 70 CO -0.47 -0.32 -0.07 1.15 -1.18 0.00 0.00 179.01 178.12 1sg7 h THR 71 N -0.50 0.53 -0.83 0.32 2.02 0.16 0.27 112.91 114.88 1sg7 h THR 71 Ca 0.02 -0.02 0.17 0.00 0.77 0.00 0.00 66.41 67.35 1sg7 h THR 71 Cb 0.56 0.48 -0.11 0.00 -1.74 0.00 0.00 68.15 67.34 1sg7 h THR 71 CO -0.31 0.01 0.36 0.00 0.37 0.00 0.00 175.52 175.94 1sg7 h ALA 72 N 1.49 1.24 -0.27 6.16 0.00 0.54 0.68 119.26 129.11 1sg7 h ALA 72 Ca 0.26 0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.34 1sg7 h ALA 72 Cb 0.40 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1sg7 h ALA 72 CO -0.49 -0.24 -0.00 0.45 0.00 0.00 0.00 179.25 178.97 1sg7 h HIS 73 N 0.46 -0.02 -0.90 0.00 -0.00 0.20 0.57 115.15 115.47 1sg7 h HIS 73 Ca 0.48 0.02 0.03 0.00 -0.00 0.00 0.00 60.37 60.90 1sg7 h HIS 73 Cb 0.80 0.05 -0.05 0.00 -0.00 0.00 0.00 27.41 28.20 1sg7 h HIS 73 CO -0.15 -0.04 0.58 0.87 -0.00 0.00 0.00 177.93 179.19 1sg7 h LYS 74 N 0.08 1.11 0.44 2.45 6.56 0.14 -1.12 116.57 126.23 1sg7 h LYS 74 Ca 0.13 -0.07 -0.02 0.00 -1.06 0.00 0.00 60.65 59.63 1sg7 h LYS 74 Cb 0.16 -0.25 0.00 0.00 -0.57 0.00 0.00 32.23 31.58 1sg7 h LYS 74 CO -0.21 0.74 -0.21 0.28 -2.06 0.00 0.00 179.45 177.98 1sg7 h VAL 75 N 1.15 0.32 -0.80 0.50 2.07 0.11 -2.24 116.25 117.35 1sg7 h VAL 75 Ca 0.35 -0.58 0.19 0.00 0.82 0.00 0.00 66.70 67.49 1sg7 h VAL 75 Cb -0.02 0.49 -0.13 0.00 -1.52 0.00 0.00 31.29 30.10 1sg7 h VAL 75 CO -0.11 0.06 0.16 0.00 0.02 0.00 0.00 177.57 177.71 1sg7 h ALA 76 N -0.79 1.04 -0.59 1.67 0.00 0.20 0.51 119.26 121.30 1sg7 h ALA 76 Ca -0.06 0.21 0.02 0.00 0.00 0.00 0.00 54.91 55.07 1sg7 h ALA 76 Cb 0.55 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 1sg7 h ALA 76 CO 0.10 -0.40 0.38 -1.49 0.00 0.00 0.00 179.25 177.83 1sg7 h TRP 77 N 0.21 0.72 -0.76 0.00 4.06 -1.22 0.01 115.95 118.97 1sg7 h TRP 77 Ca 0.47 0.02 0.16 0.00 2.06 0.00 0.00 58.89 61.60 1sg7 h TRP 77 Cb 0.87 -0.24 -0.11 0.00 -1.00 0.00 0.00 29.16 28.68 1sg7 h TRP 77 CO -0.30 0.43 0.22 0.00 -3.56 0.00 0.00 178.44 175.23 1sg7 h ALA 78 N 1.24 1.02 -0.39 1.49 0.00 0.63 1.56 119.26 124.80 1sg7 h ALA 78 Ca 0.23 0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.26 1sg7 h ALA 78 Cb -0.04 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1sg7 h ALA 78 CO -0.07 -0.32 0.10 0.00 0.00 0.00 0.00 179.25 178.95 1sg7 h ALA 79 N 1.61 0.51 0.04 0.00 0.00 -0.48 -1.11 119.26 119.83 1sg7 h ALA 79 Ca 0.43 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 1sg7 h ALA 79 Cb 0.74 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1sg7 h ALA 79 CO -0.50 0.18 -0.02 0.28 0.00 0.00 0.00 179.25 179.19 1sg7 h VAL 80 N 0.48 0.97 0.00 0.00 2.07 0.15 -0.21 116.25 119.70 1sg7 h VAL 80 Ca 0.12 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.61 1sg7 h VAL 80 Cb 0.30 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 1sg7 h VAL 80 CO 0.00 0.01 0.00 0.29 0.02 0.00 0.00 177.57 177.89 1sg7 n LYS 81 N -5.11 0.17 -0.04 1.57 5.02 0.49 0.33 118.16 120.59 1sg7 n LYS 81 Ca -0.07 0.54 -0.20 0.00 -2.02 0.00 0.00 58.31 56.56 1sg7 n LYS 81 Cb 0.06 -1.92 -0.13 0.00 -0.02 0.00 0.00 35.03 33.01 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 0.21 0.00 2.13 2.76 -0.07 -3.38 115.15 116.80 1sg7 h HIS 82 Ca 0.00 -0.15 0.00 0.00 -2.20 0.00 0.00 60.37 58.02 1sg7 h HIS 82 Cb 0.17 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.13 1sg7 h HIS 82 CO 0.00 1.38 -1.00 0.39 -1.30 0.00 0.00 177.93 177.40 1sg7 n GLU 83 N -4.25 0.15 -4.12 5.26 1.02 -0.20 -4.01 120.64 114.49 1sg7 n GLU 83 Ca -0.23 -0.02 -0.15 0.00 -0.02 0.00 0.00 57.16 56.74 1sg7 n GLU 83 Cb 0.73 -1.53 -0.12 0.00 -0.02 0.00 0.00 31.44 30.50 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 -3.11 0.84 0.05 -0.32 1.51 0.98 0.26 117.35 117.56 1sg7 s TYR 84 Ca 0.06 -0.45 0.08 0.00 -1.01 0.00 0.00 57.07 55.75 1sg7 s TYR 84 Cb 0.16 -0.49 -0.03 0.00 -0.11 0.00 0.00 41.96 41.49 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 -1.23 1.94 -0.28 3.71 0.00 0.31 -3.59 121.76 122.61 1sg7 s ALA 85 Ca -0.06 -1.15 -0.18 0.00 0.00 0.00 0.00 51.96 50.57 1sg7 s ALA 85 Cb -0.09 -0.38 -0.02 0.00 0.00 0.00 0.00 23.12 22.62 1sg7 s ALA 85 CO 0.01 0.44 0.52 0.21 0.00 0.00 0.00 175.76 176.94 1sg7 s LYS 86 N -1.26 3.98 0.00 0.00 2.20 -1.26 0.10 119.74 123.51 1sg7 s LYS 86 Ca 0.09 0.23 0.00 0.00 -0.36 0.00 0.00 55.97 55.93 1sg7 s LYS 86 Cb -0.09 -3.68 0.00 0.00 -1.51 0.00 0.00 37.83 32.54 1sg7 s LYS 86 CO 0.02 -0.42 0.00 0.41 -0.36 0.00 0.00 175.35 175.00 1sg7 n GLY 87 N 4.48 -3.32 1.33 5.54 0.00 0.12 -4.82 105.19 108.52 1sg7 n GLY 87 Ca -0.04 -1.28 -0.06 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 -2.51 3.47 0.00 1.61 5.68 -1.26 -4.43 116.55 119.11 1sg7 n ASP 88 Ca 0.00 -2.42 0.00 0.00 -0.50 0.00 0.00 54.79 51.87 1sg7 n ASP 88 Cb 0.00 -0.64 0.00 0.00 -1.14 0.00 0.00 41.12 39.34 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 0.20 0.00 -0.44 -1.12 9.92 -1.26 -5.05 116.55 118.80 1sg7 n ASP 89 Ca 0.14 0.00 -0.01 0.00 -0.53 0.00 0.00 54.79 54.40 1sg7 n ASP 89 Cb 0.75 0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 41.22 1sg7 n ASP 89 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1sg7 n ASP 90 N -0.67 -0.09 -4.36 -2.24 2.03 -1.26 -5.15 116.55 104.81 1sg7 n ASP 90 Ca 0.00 -0.20 -0.19 0.00 0.52 0.00 0.00 54.79 54.91 1sg7 n ASP 90 Cb 0.00 0.03 -0.10 0.00 -0.72 0.00 0.00 41.12 40.33 1sg7 n ASP 90 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1sg7 s LYS 91 N 0.00 1.36 0.20 -0.67 1.02 -1.26 -4.72 119.74 115.66 1sg7 s LYS 91 Ca 0.00 -1.59 0.11 0.00 0.02 0.00 0.00 55.97 54.50 1sg7 s LYS 91 Cb 0.00 -1.20 -0.04 0.00 -0.52 0.00 0.00 37.83 36.07 1sg7 s LYS 91 CO 0.00 0.21 -0.19 -1.58 -0.92 0.00 0.00 175.35 172.86 1sg7 s TRP 92 N -2.86 2.40 -0.04 3.18 0.52 0.80 0.12 118.94 123.07 1sg7 s TRP 92 Ca 0.23 -0.32 -0.03 0.00 0.02 0.00 0.00 56.10 56.00 1sg7 s TRP 92 Cb -0.02 -1.18 0.02 0.00 -1.15 0.00 0.00 33.47 31.15 1sg7 s TRP 92 CO 0.08 0.52 0.09 -3.38 0.02 0.00 0.00 176.95 174.27 1sg7 s HIS 93 N -1.74 -0.09 -0.06 -1.98 -3.43 0.29 -4.18 115.29 104.10 1sg7 s HIS 93 Ca 0.23 0.26 -0.34 0.00 -0.80 0.00 0.00 55.06 54.41 1sg7 s HIS 93 Cb -0.08 -0.02 -0.12 0.00 -1.43 0.00 0.00 32.58 30.93 1sg7 s HIS 93 CO 0.12 -0.07 1.83 1.17 -2.00 0.00 0.00 174.74 175.78 1sg7 n LYS 94 N 3.36 2.13 0.00 -0.38 4.81 -1.26 0.11 118.16 126.94 1sg7 n LYS 94 Ca -0.16 0.78 0.00 0.00 -0.87 0.00 0.00 58.31 58.06 1sg7 n LYS 94 Cb 0.57 -2.61 0.00 0.00 0.02 0.00 0.00 35.03 33.01 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 6.07 0.00 0.00 1.64 4.76 0.73 -4.79 118.16 126.57 1sg7 n LYS 95 Ca 0.22 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 55.78 1sg7 n LYS 95 Cb 0.29 -0.35 0.73 0.00 -1.84 0.00 0.00 35.03 33.85 1sg7 n LYS 95 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48