#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gh8 n GLY 2 N 0.00 0.00 4.00 -5.12 0.00 0.23 -4.70 105.19 99.60 1gh8 n GLY 2 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1gh8 n GLY 2 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1gh8 s ASP 3 N 0.00 4.89 -0.17 1.61 1.01 0.60 -4.67 116.67 119.94 1gh8 s ASP 3 Ca 0.00 -0.37 -0.07 0.00 0.71 0.00 0.00 52.55 52.82 1gh8 s ASP 3 Cb 0.00 -0.25 -0.04 0.00 1.01 0.00 0.00 42.92 43.64 1gh8 s ASP 3 CO 0.00 -1.45 0.07 -0.69 0.21 0.00 0.00 175.17 173.31 1gh8 s VAL 4 N -2.86 4.90 -0.08 -1.27 1.01 -0.94 -2.09 120.40 119.07 1gh8 s VAL 4 Ca 0.62 -0.00 0.02 0.00 0.00 0.00 0.00 61.98 62.61 1gh8 s VAL 4 Cb -0.07 -3.19 0.02 0.00 0.00 0.00 0.00 36.38 33.14 1gh8 s VAL 4 CO 0.40 0.49 -0.12 -0.69 0.00 0.00 0.00 175.10 175.19 1gh8 s VAL 5 N 0.06 1.14 0.38 2.92 1.01 -0.08 -1.12 120.40 124.71 1gh8 s VAL 5 Ca 0.06 -0.46 0.07 0.00 0.00 0.00 0.00 61.98 61.65 1gh8 s VAL 5 Cb -0.12 -1.06 -0.00 0.00 0.00 0.00 0.00 36.38 35.20 1gh8 s VAL 5 CO 0.01 0.36 0.53 0.00 0.00 0.00 0.00 175.10 175.99 1gh8 s ALA 6 N 0.85 4.31 -0.05 5.51 0.00 -0.87 0.11 121.76 131.61 1gh8 s ALA 6 Ca -0.11 -1.51 -0.03 0.00 0.00 0.00 0.00 51.96 50.32 1gh8 s ALA 6 Cb -0.15 -1.70 0.03 0.00 0.00 0.00 0.00 23.12 21.30 1gh8 s ALA 6 CO 0.01 -0.16 0.12 0.99 0.00 0.00 0.00 175.76 176.72 1gh8 s THR 7 N -2.28 -0.04 -0.25 0.00 2.01 -1.03 -1.07 115.64 112.99 1gh8 s THR 7 Ca 0.49 0.13 0.01 0.00 0.31 0.00 0.00 61.69 62.63 1gh8 s THR 7 Cb -0.10 -0.19 0.07 0.00 0.01 0.00 0.00 72.50 72.29 1gh8 s THR 7 CO 0.32 0.05 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.64 1gh8 s ILE 8 N 0.81 1.52 -0.65 1.82 -1.09 -0.68 -3.08 121.20 119.85 1gh8 s ILE 8 Ca -0.06 -1.31 -0.16 0.00 -2.23 0.00 0.00 60.65 56.89 1gh8 s ILE 8 Cb -0.08 -1.84 0.15 0.00 -1.58 0.00 0.00 42.46 39.11 1gh8 s ILE 8 CO -0.04 -0.19 0.64 -0.54 -1.23 0.00 0.00 174.94 173.58 1gh8 s LYS 9 N 1.38 3.20 -0.04 2.79 -0.14 -1.21 -0.02 119.74 125.71 1gh8 s LYS 9 Ca -0.03 -1.87 -0.14 0.00 -1.36 0.00 0.00 55.97 52.57 1gh8 s LYS 9 Cb -0.19 -4.36 -0.05 0.00 -1.68 0.00 0.00 37.83 31.55 1gh8 s LYS 9 CO -0.08 -1.37 0.38 0.14 -0.76 0.00 0.00 175.35 173.66 1gh8 s VAL 10 N 1.40 5.11 -0.14 3.17 -7.23 -0.53 0.38 120.40 122.56 1gh8 s VAL 10 Ca 0.10 0.77 -0.05 0.00 -1.81 0.00 0.00 61.98 60.99 1gh8 s VAL 10 Cb -0.22 -3.69 0.07 0.00 0.56 0.00 0.00 36.38 33.10 1gh8 s VAL 10 CO -0.00 0.54 0.29 -0.32 -0.31 0.00 0.00 175.10 175.29 1gh8 s MET 11 N -0.75 0.18 -0.02 4.82 0.00 -1.12 -0.80 119.30 121.61 1gh8 s MET 11 Ca 0.22 0.78 -0.30 0.00 0.00 0.00 0.00 55.69 56.39 1gh8 s MET 11 Cb -0.16 -0.01 -0.05 0.00 0.00 0.00 0.00 34.83 34.61 1gh8 s MET 11 CO 0.11 -0.30 1.47 -2.14 0.00 0.00 0.00 175.02 174.16 1gh8 s PRO 12 N 2.45 4.25 0.51 4.11 0.02 -1.26 -2.18 135.00 142.90 1gh8 s PRO 12 Ca 0.01 2.02 0.20 0.00 0.02 0.00 0.00 61.00 63.25 1gh8 s PRO 12 Cb -0.12 -3.67 1.29 0.00 0.02 0.00 0.00 34.50 32.01 1gh8 s PRO 12 CO -0.09 -0.66 2.06 0.93 -0.33 0.00 0.00 177.00 178.90 1gh8 h GLU 13 N 8.26 0.06 -7.02 5.54 4.39 -1.26 -3.43 114.58 121.12 1gh8 h GLU 13 Ca -0.38 -0.00 -0.46 0.00 0.34 0.00 0.00 59.36 58.86 1gh8 h GLU 13 Cb 1.17 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 1gh8 h GLU 13 CO 0.92 0.04 0.37 -1.12 -1.16 0.00 0.00 179.01 178.06 1gh8 s SER 14 N -6.58 6.78 0.00 1.42 0.01 -1.26 -4.92 113.70 109.15 1gh8 s SER 14 Ca -0.05 1.85 0.08 0.00 1.31 0.00 0.00 55.95 59.14 1gh8 s SER 14 Cb 0.19 -2.56 0.41 0.00 0.21 0.00 0.00 66.02 64.27 1gh8 s SER 14 CO 0.71 -0.47 1.17 -0.81 0.41 0.00 0.00 173.24 174.24 1gh8 n PRO 15 N -0.48 0.10 -0.98 12.44 -0.04 -1.26 -2.61 135.00 142.17 1gh8 n PRO 15 Ca 0.07 0.24 -0.21 0.00 -0.04 0.00 0.00 63.50 63.55 1gh8 n PRO 15 Cb 0.52 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.56 1gh8 n PRO 15 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1gh8 n ASP 16 N -1.33 5.80 -4.56 3.54 5.68 -1.26 -4.89 116.55 119.52 1gh8 n ASP 16 Ca 0.04 -3.25 -0.24 0.00 -0.50 0.00 0.00 54.79 50.83 1gh8 n ASP 16 Cb 0.07 -0.93 -0.06 0.00 -1.14 0.00 0.00 41.12 39.07 1gh8 n ASP 16 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1gh8 s VAL 17 N -2.90 3.37 -0.48 2.12 0.11 -1.07 -4.89 120.40 116.65 1gh8 s VAL 17 Ca 0.42 -0.36 -0.27 0.00 -2.93 0.00 0.00 61.98 58.84 1gh8 s VAL 17 Cb 0.34 -3.90 -0.02 0.00 -1.53 0.00 0.00 36.38 31.27 1gh8 s VAL 17 CO 0.02 -0.75 1.88 -1.81 -3.33 0.00 0.00 175.10 171.10 1gh8 s ASP 18 N 8.38 5.47 0.07 3.54 1.01 -1.26 -4.83 116.67 129.05 1gh8 s ASP 18 Ca 0.74 0.82 -0.26 0.00 0.71 0.00 0.00 52.55 54.56 1gh8 s ASP 18 Cb -0.07 -2.53 -0.17 0.00 1.01 0.00 0.00 42.92 41.17 1gh8 s ASP 18 CO 0.03 -2.13 1.63 0.25 0.21 0.00 0.00 175.17 175.17 1gh8 h LEU 19 N 15.50 -0.24 -0.63 1.23 6.46 -1.91 0.25 115.31 135.98 1gh8 h LEU 19 Ca -0.29 -0.04 -0.15 0.00 -0.12 0.00 0.00 57.88 57.28 1gh8 h LEU 19 Cb 1.17 0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 41.16 1gh8 h LEU 19 CO 1.13 -0.12 -0.55 1.05 -0.62 0.00 0.00 178.44 179.34 1gh8 h GLU 20 N -0.35 0.39 -0.29 1.25 9.09 -1.99 0.27 114.58 122.96 1gh8 h GLU 20 Ca -0.03 -0.25 -0.12 0.00 0.05 0.00 0.00 59.36 59.02 1gh8 h GLU 20 Cb 0.27 0.03 -0.01 0.00 -1.65 0.00 0.00 28.75 27.38 1gh8 h GLU 20 CO 0.05 0.84 -0.30 0.00 0.05 0.00 0.00 179.01 179.65 1gh8 h ALA 21 N 1.11 0.94 -0.22 1.06 0.00 -1.94 -2.03 119.26 118.18 1gh8 h ALA 21 Ca 0.00 -0.39 -0.08 0.00 0.00 0.00 0.00 54.91 54.45 1gh8 h ALA 21 Cb 1.06 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1gh8 h ALA 21 CO 0.09 0.61 -0.20 1.25 0.00 0.00 0.00 179.25 181.01 1gh8 h LEU 22 N 0.51 0.38 -0.48 0.00 5.85 -0.10 -2.43 115.31 119.05 1gh8 h LEU 22 Ca 0.06 -0.11 0.06 0.00 0.84 0.00 0.00 57.88 58.73 1gh8 h LEU 22 Cb 0.78 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.65 1gh8 h LEU 22 CO 0.06 0.59 0.18 0.11 -0.34 0.00 0.00 178.44 179.05 1gh8 h LYS 23 N 0.35 0.36 -0.44 1.25 6.56 -0.22 0.51 116.57 124.94 1gh8 h LYS 23 Ca 0.06 -0.02 -0.06 0.00 -1.06 0.00 0.00 60.65 59.57 1gh8 h LYS 23 Cb 0.55 -0.08 -0.02 0.00 -0.57 0.00 0.00 32.23 32.11 1gh8 h LYS 23 CO 0.04 0.24 0.05 0.87 -2.06 0.00 0.00 179.45 178.58 1gh8 h LYS 24 N 0.37 0.74 -0.04 3.15 1.57 -1.17 -2.70 116.57 118.49 1gh8 h LYS 24 Ca 0.22 -0.21 -0.07 0.00 -1.87 0.00 0.00 60.65 58.72 1gh8 h LYS 24 Cb 0.21 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1gh8 h LYS 24 CO -0.21 0.79 -0.31 0.93 -0.57 0.00 0.00 179.45 180.08 1gh8 h GLU 25 N 0.60 0.08 -0.55 3.15 5.08 -0.92 -2.87 114.58 119.14 1gh8 h GLU 25 Ca 0.13 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 1gh8 h GLU 25 Cb 0.42 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 1gh8 h GLU 25 CO 0.01 0.38 0.29 0.82 -1.00 0.00 0.00 179.01 179.52 1gh8 h ILE 26 N 0.07 1.19 -0.77 3.13 2.04 0.31 -0.16 117.51 123.32 1gh8 h ILE 26 Ca 0.01 -0.49 -0.03 0.00 1.00 0.00 0.00 64.86 65.36 1gh8 h ILE 26 Cb 0.58 0.51 -0.04 0.00 -0.74 0.00 0.00 36.82 37.14 1gh8 h ILE 26 CO 0.04 0.20 0.37 1.56 0.00 0.00 0.00 178.15 180.32 1gh8 h GLN 27 N 0.73 1.09 0.00 2.37 4.20 -1.29 -1.62 115.11 120.59 1gh8 h GLN 27 Ca 0.19 -0.15 -0.02 0.00 0.06 0.00 0.00 58.65 58.73 1gh8 h GLN 27 Cb 0.06 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 27.64 1gh8 h GLN 27 CO -0.03 0.84 -0.10 1.05 -0.67 0.00 0.00 178.83 179.92 1gh8 h GLU 28 N 1.09 0.00 -0.00 1.46 4.11 -1.41 -3.13 114.58 116.70 1gh8 h GLU 28 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.69 1gh8 h GLU 28 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1gh8 h GLU 28 CO -0.03 0.10 -0.47 2.89 0.07 0.00 0.00 179.01 181.57 1gh8 n ARG 29 N -3.14 0.07 -1.76 1.06 1.85 -0.10 -4.93 116.66 109.71 1gh8 n ARG 29 Ca 0.03 -0.04 -0.41 0.00 -1.00 0.00 0.00 57.85 56.42 1gh8 n ARG 29 Cb 0.52 -1.50 -0.01 0.00 -1.05 0.00 0.00 32.46 30.43 1gh8 n ARG 29 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 1gh8 n ILE 30 N -1.43 1.63 -1.67 8.89 2.08 -0.66 -4.82 119.36 123.39 1gh8 n ILE 30 Ca 0.06 -0.41 -0.54 0.00 0.56 0.00 0.00 62.75 62.43 1gh8 n ILE 30 Cb 0.34 -1.97 -0.06 0.00 -0.75 0.00 0.00 39.64 37.19 1gh8 n ILE 30 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 1gh8 n PRO 31 N 1.09 1.51 0.00 0.38 -0.04 -1.26 -4.79 135.00 131.89 1gh8 n PRO 31 Ca 0.04 0.54 0.00 0.00 -0.04 0.00 0.00 63.50 64.04 1gh8 n PRO 31 Cb 0.38 -2.34 0.00 0.00 -0.04 0.00 0.00 33.50 31.50 1gh8 n PRO 31 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1gh8 n GLU 32 N 6.19 0.00 0.06 0.54 1.02 -1.26 -2.28 120.64 124.90 1gh8 n GLU 32 Ca 0.27 0.06 -0.22 0.00 -0.02 0.00 0.00 57.16 57.25 1gh8 n GLU 32 Cb 0.20 -1.50 -0.15 0.00 -0.02 0.00 0.00 31.44 29.97 1gh8 n GLU 32 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1gh8 h GLY 33 N 0.00 0.40 0.00 0.62 0.00 -1.84 -3.48 103.07 98.77 1gh8 h GLY 33 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 47.33 46.31 1gh8 h GLY 33 CO 0.00 0.90 0.00 2.41 0.00 0.00 0.00 176.54 179.85 1gh8 n THR 34 N -3.92 0.00 -4.30 4.70 -1.04 -0.97 -4.75 114.28 104.00 1gh8 n THR 34 Ca -0.19 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.66 1gh8 n THR 34 Cb 0.94 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 69.34 1gh8 n THR 34 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1gh8 s GLU 35 N 3.75 1.31 0.66 -2.82 2.02 -1.26 -4.83 118.70 117.53 1gh8 s GLU 35 Ca 0.00 -1.68 -0.11 0.00 0.02 0.00 0.00 54.97 53.20 1gh8 s GLU 35 Cb 0.00 -0.39 0.16 0.00 0.10 0.00 0.00 34.13 34.00 1gh8 s GLU 35 CO 0.00 -0.19 0.76 1.47 0.02 0.00 0.00 175.26 177.32 1gh8 n LEU 36 N -0.39 0.00 0.00 1.80 -0.00 -1.26 -2.61 117.00 114.53 1gh8 n LEU 36 Ca -0.03 -0.82 0.00 0.00 -0.00 0.00 0.00 56.01 55.15 1gh8 n LEU 36 Cb 0.65 -0.62 0.00 0.00 -0.00 0.00 0.00 43.42 43.44 1gh8 n LEU 36 CO 0.36 -1.34 0.00 1.57 -0.00 0.00 0.00 177.39 177.99 1gh8 n HIS 37 N -3.46 0.00 -3.64 1.47 -0.00 0.20 -3.26 115.22 106.53 1gh8 n HIS 37 Ca 0.10 0.00 -0.07 0.00 -0.00 0.00 0.00 57.72 57.75 1gh8 n HIS 37 Cb 0.36 0.10 -0.07 0.00 -0.00 0.00 0.00 29.99 30.37 1gh8 n HIS 37 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.34 176.55 1gh8 s LYS 38 N -0.35 0.58 0.34 1.57 2.47 -1.23 -4.97 119.74 118.15 1gh8 s LYS 38 Ca 0.00 0.89 -0.02 0.00 -1.56 0.00 0.00 55.97 55.28 1gh8 s LYS 38 Cb 0.00 0.18 -0.04 0.00 -1.46 0.00 0.00 37.83 36.51 1gh8 s LYS 38 CO 0.00 -0.10 0.57 0.42 0.16 0.00 0.00 175.35 176.40 1gh8 s ILE 39 N 1.07 5.07 -0.12 5.43 1.01 -1.26 -2.15 121.20 130.26 1gh8 s ILE 39 Ca -0.06 -0.24 0.02 0.00 0.00 0.00 0.00 60.65 60.38 1gh8 s ILE 39 Cb -0.05 -3.82 0.01 0.00 0.01 0.00 0.00 42.46 38.62 1gh8 s ILE 39 CO -0.12 -0.51 -0.17 -1.81 0.00 0.00 0.00 174.94 172.33 1gh8 s ASP 40 N -3.75 2.62 -1.31 3.58 1.11 -0.46 -4.86 116.67 113.61 1gh8 s ASP 40 Ca 0.42 -0.48 -0.13 0.00 0.18 0.00 0.00 52.55 52.55 1gh8 s ASP 40 Cb -0.10 -1.19 0.13 0.00 1.07 0.00 0.00 42.92 42.83 1gh8 s ASP 40 CO 0.35 0.04 1.83 -0.62 1.18 0.00 0.00 175.17 177.95 1gh8 n GLU 41 N 4.14 3.34 -3.69 8.23 1.02 -1.26 -0.94 120.64 131.48 1gh8 n GLU 41 Ca -0.19 -3.37 -0.36 0.00 -0.02 0.00 0.00 57.16 53.22 1gh8 n GLU 41 Cb 0.51 -3.11 -0.08 0.00 -0.02 0.00 0.00 31.44 28.75 1gh8 n GLU 41 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1gh8 s GLU 42 N 1.81 4.14 0.43 3.49 2.02 -0.41 -4.94 118.70 125.24 1gh8 s GLU 42 Ca 0.44 -0.12 -0.07 0.00 0.02 0.00 0.00 54.97 55.24 1gh8 s GLU 42 Cb 0.07 -3.40 -0.05 0.00 0.10 0.00 0.00 34.13 30.85 1gh8 s GLU 42 CO -0.01 0.33 0.75 -1.25 0.02 0.00 0.00 175.26 175.11 1gh8 s PRO 43 N 0.25 3.63 0.00 0.39 0.04 -1.26 0.13 135.00 138.18 1gh8 s PRO 43 Ca 0.11 0.27 0.00 0.00 0.04 0.00 0.00 61.00 61.42 1gh8 s PRO 43 Cb -0.12 -2.41 0.00 0.00 0.04 0.00 0.00 34.50 32.01 1gh8 s PRO 43 CO 0.00 -0.10 0.00 -0.89 0.04 0.00 0.00 177.00 176.06 1gh8 n ILE 44 N -1.77 0.00 0.00 0.56 2.08 0.03 -4.73 119.36 115.53 1gh8 n ILE 44 Ca 0.01 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.32 1gh8 n ILE 44 Cb 0.55 -0.30 0.00 0.00 -0.75 0.00 0.00 39.64 39.13 1gh8 n ILE 44 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1gh8 n ALA 45 N -1.46 0.00 0.23 -1.39 0.00 -1.04 -4.88 120.51 111.97 1gh8 n ALA 45 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 1gh8 n ALA 45 Cb 0.00 0.00 0.46 0.00 0.00 0.00 0.00 19.45 19.91 1gh8 n ALA 45 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1gh8 h PHE 46 N -0.48 0.00 0.00 0.00 -1.00 -2.04 -3.37 116.94 110.05 1gh8 h PHE 46 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1gh8 h PHE 46 Cb 0.00 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.56 1gh8 h PHE 46 CO 0.00 0.17 0.00 0.41 -1.61 0.00 0.00 178.31 177.28 1gh8 n GLY 47 N 0.25 1.00 3.43 -1.45 0.00 -1.26 -5.05 105.19 102.11 1gh8 n GLY 47 Ca 0.01 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.59 1gh8 n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1gh8 s LEU 48 N 0.00 4.75 -0.11 0.99 1.02 -1.26 -4.93 118.68 119.13 1gh8 s LEU 48 Ca 0.00 -1.08 -0.15 0.00 0.02 0.00 0.00 54.13 52.92 1gh8 s LEU 48 Cb 0.00 -2.42 -0.05 0.00 0.02 0.00 0.00 46.19 43.75 1gh8 s LEU 48 CO 0.00 -1.27 0.36 -0.69 0.02 0.00 0.00 176.35 174.77 1gh8 s VAL 49 N 3.47 5.22 0.36 -1.59 1.01 -1.26 -0.79 120.40 126.82 1gh8 s VAL 49 Ca 0.19 0.70 0.03 0.00 0.00 0.00 0.00 61.98 62.90 1gh8 s VAL 49 Cb -0.19 -3.69 -0.02 0.00 0.00 0.00 0.00 36.38 32.49 1gh8 s VAL 49 CO 0.10 0.43 0.54 0.00 0.00 0.00 0.00 175.10 176.17 1gh8 s ALA 50 N 0.06 3.90 -0.17 5.51 0.00 0.34 -4.75 121.76 126.66 1gh8 s ALA 50 Ca 0.21 -1.16 0.01 0.00 0.00 0.00 0.00 51.96 51.02 1gh8 s ALA 50 Cb -0.14 -1.94 0.02 0.00 0.00 0.00 0.00 23.12 21.05 1gh8 s ALA 50 CO 0.08 -0.10 -0.19 -0.51 0.00 0.00 0.00 175.76 175.04 1gh8 s LEU 51 N -4.31 2.02 -0.88 0.00 1.02 0.02 -1.29 118.68 115.26 1gh8 s LEU 51 Ca 0.43 -0.61 -0.18 0.00 0.02 0.00 0.00 54.13 53.79 1gh8 s LEU 51 Cb -0.10 -1.40 0.14 0.00 0.02 0.00 0.00 46.19 44.85 1gh8 s LEU 51 CO 0.34 -0.01 1.05 0.20 0.02 0.00 0.00 176.35 177.96 1gh8 s ASN 52 N 1.30 6.59 -0.58 2.29 0.02 -0.11 -1.45 114.94 123.01 1gh8 s ASN 52 Ca 0.04 -2.02 -0.23 0.00 -1.02 0.00 0.00 52.86 49.63 1gh8 s ASN 52 Cb -0.13 -2.37 0.05 0.00 0.02 0.00 0.00 41.25 38.82 1gh8 s ASN 52 CO -0.12 -1.03 0.92 -0.69 0.02 0.00 0.00 177.10 176.20 1gh8 s VAL 53 N 2.48 4.41 0.63 1.60 1.01 0.98 -1.35 120.40 130.15 1gh8 s VAL 53 Ca 0.29 0.03 -0.07 0.00 0.00 0.00 0.00 61.98 62.23 1gh8 s VAL 53 Cb -0.07 -4.56 0.02 0.00 0.00 0.00 0.00 36.38 31.76 1gh8 s VAL 53 CO -0.07 -1.19 0.96 -0.04 0.00 0.00 0.00 175.10 174.76 1gh8 s MET 54 N 3.88 2.82 -0.01 2.72 -1.94 -0.91 -1.68 119.30 124.18 1gh8 s MET 54 Ca 0.27 0.08 0.01 0.00 -1.71 0.00 0.00 55.69 54.33 1gh8 s MET 54 Cb -0.14 -2.20 0.01 0.00 2.01 0.00 0.00 34.83 34.50 1gh8 s MET 54 CO 0.16 -0.84 -0.01 0.14 -0.01 0.00 0.00 175.02 174.46 1gh8 s VAL 55 N -3.11 0.15 -0.30 -6.03 -7.23 -0.23 0.58 120.40 104.24 1gh8 s VAL 55 Ca 0.56 -0.04 -0.17 0.00 -1.81 0.00 0.00 61.98 60.52 1gh8 s VAL 55 Cb -0.11 -0.16 -0.02 0.00 0.56 0.00 0.00 36.38 36.65 1gh8 s VAL 55 CO 0.47 0.07 0.45 -0.69 -0.31 0.00 0.00 175.10 175.08 1gh8 s VAL 56 N 0.22 5.10 0.01 1.32 1.01 -1.07 -2.05 120.40 124.94 1gh8 s VAL 56 Ca -0.02 0.55 0.04 0.00 0.00 0.00 0.00 61.98 62.55 1gh8 s VAL 56 Cb -0.04 -3.82 -0.01 0.00 0.00 0.00 0.00 36.38 32.51 1gh8 s VAL 56 CO -0.01 0.01 -0.13 0.68 0.00 0.00 0.00 175.10 175.65 1gh8 s VAL 57 N 2.22 1.04 0.00 2.92 -7.23 -0.28 -4.18 120.40 114.89 1gh8 s VAL 57 Ca 0.17 -0.73 0.00 0.00 -1.81 0.00 0.00 61.98 59.61 1gh8 s VAL 57 Cb -0.16 -0.90 0.00 0.00 0.56 0.00 0.00 36.38 35.88 1gh8 s VAL 57 CO 0.11 0.17 0.00 0.61 -0.31 0.00 0.00 175.10 175.67 1gh8 n GLY 58 N 2.41 -1.87 0.03 2.32 0.00 -1.26 -2.21 105.19 104.60 1gh8 n GLY 58 Ca -0.16 0.49 0.15 0.00 0.00 0.00 0.00 46.02 46.50 1gh8 n GLY 58 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1gh8 n ASP 59 N -2.25 0.13 -3.62 1.61 -0.08 -1.26 -4.81 116.55 106.27 1gh8 n ASP 59 Ca 0.00 -0.23 0.00 0.00 -1.51 0.00 0.00 54.79 53.05 1gh8 n ASP 59 Cb 0.00 -0.23 0.00 0.00 2.34 0.00 0.00 41.12 43.23 1gh8 n ASP 59 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1gh8 n ALA 60 N -1.22 0.00 -3.00 -1.67 0.00 -1.26 -5.11 120.51 108.25 1gh8 n ALA 60 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1gh8 n ALA 60 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.71 1gh8 n ALA 60 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1gh8 n GLU 61 N 0.00 0.00 -0.03 0.00 0.28 -1.26 -5.00 120.64 114.63 1gh8 n GLU 61 Ca 0.00 0.00 0.01 0.00 -0.16 0.00 0.00 57.16 57.01 1gh8 n GLU 61 Cb 0.00 0.00 0.02 0.00 1.43 0.00 0.00 31.44 32.89 1gh8 n GLU 61 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1gh8 n GLY 62 N 0.00 0.16 0.00 -1.84 0.00 -1.26 -3.81 105.19 98.44 1gh8 n GLY 62 Ca 0.00 -0.05 0.08 0.00 0.00 0.00 0.00 46.02 46.05 1gh8 n GLY 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gh8 n GLY 63 N 0.35 -0.69 0.00 -0.02 0.00 -1.26 -2.25 105.19 101.32 1gh8 n GLY 63 Ca 0.01 -0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.07 1gh8 n GLY 63 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1gh8 n THR 64 N -1.19 0.18 0.23 2.61 -2.24 -1.25 -2.93 114.28 109.70 1gh8 n THR 64 Ca 0.09 0.05 0.18 0.00 -2.27 0.00 0.00 64.05 62.09 1gh8 n THR 64 Cb 0.10 -0.68 0.84 0.00 -2.10 0.00 0.00 70.33 68.49 1gh8 n THR 64 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1gh8 h GLU 65 N 0.00 0.00 -0.21 -0.78 4.11 -1.79 0.02 114.58 115.93 1gh8 h GLU 65 Ca 0.00 0.00 0.06 0.00 0.07 0.00 0.00 59.36 59.49 1gh8 h GLU 65 Cb 0.12 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1gh8 h GLU 65 CO 0.00 0.00 0.20 0.00 0.07 0.00 0.00 179.01 179.28 1gh8 h ALA 66 N 1.59 1.93 0.26 1.06 0.00 -1.83 -1.71 119.26 120.56 1gh8 h ALA 66 Ca 0.08 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1gh8 h ALA 66 Cb 0.66 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1gh8 h ALA 66 CO -0.00 -0.30 -0.13 0.00 0.00 0.00 0.00 179.25 178.82 1gh8 h ALA 67 N 1.80 -0.35 -0.76 0.00 0.00 -1.28 0.20 119.26 118.88 1gh8 h ALA 67 Ca 0.10 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1gh8 h ALA 67 Cb 0.49 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 1gh8 h ALA 67 CO -0.00 -0.66 0.50 0.93 0.00 0.00 0.00 179.25 180.02 1gh8 h GLU 68 N -0.43 0.94 -0.09 0.00 5.08 -1.51 -0.24 114.58 118.33 1gh8 h GLU 68 Ca -0.04 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1gh8 h GLU 68 Cb 0.33 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 1gh8 h GLU 68 CO 0.06 0.62 0.05 1.49 -1.00 0.00 0.00 179.01 180.23 1gh8 h GLU 69 N 0.96 0.12 0.00 2.33 4.81 -0.94 -1.55 114.58 120.32 1gh8 h GLU 69 Ca 0.29 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.51 1gh8 h GLU 69 Cb -0.01 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.35 1gh8 h GLU 69 CO -0.08 0.16 0.00 1.03 -0.73 0.00 0.00 179.01 179.39 1gh8 h SER 70 N 0.05 0.00 0.64 1.04 0.87 0.13 -1.35 113.55 114.93 1gh8 h SER 70 Ca 0.03 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.44 1gh8 h SER 70 Cb 0.07 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.01 1gh8 h SER 70 CO -0.01 0.00 -0.71 -0.07 -0.53 0.00 0.00 176.83 175.51 1gh8 h LEU 71 N 0.00 0.07 0.00 2.23 -0.00 -0.05 0.55 115.31 118.11 1gh8 h LEU 71 Ca 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 57.88 57.83 1gh8 h LEU 71 Cb 0.19 -0.02 0.00 0.00 -0.00 0.00 0.00 40.66 40.83 1gh8 h LEU 71 CO 0.00 0.75 0.00 -1.54 -0.00 0.00 0.00 178.44 177.65 1gh8 n SER 72 N -3.72 0.00 -0.65 -0.43 3.41 -0.51 -2.74 113.62 108.98 1gh8 n SER 72 Ca -0.01 0.47 -0.00 0.00 -0.26 0.00 0.00 58.87 59.06 1gh8 n SER 72 Cb 0.69 -0.48 -0.01 0.00 -0.26 0.00 0.00 64.21 64.16 1gh8 n SER 72 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1gh8 n GLY 73 N -0.81 0.77 0.00 5.00 0.00 -1.05 -5.12 105.19 103.97 1gh8 n GLY 73 Ca 0.02 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1gh8 n GLY 73 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1gh8 n ILE 74 N 0.05 0.00 -1.52 -0.61 3.06 0.19 -4.78 119.36 115.74 1gh8 n ILE 74 Ca -0.03 0.00 -0.39 0.00 -2.50 0.00 0.00 62.75 59.84 1gh8 n ILE 74 Cb 0.65 -1.28 -0.08 0.00 0.54 0.00 0.00 39.64 39.47 1gh8 n ILE 74 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 1gh8 n GLU 75 N -0.63 0.57 0.26 9.51 -0.58 -1.26 -4.76 120.64 123.75 1gh8 n GLU 75 Ca 0.00 0.00 0.11 0.00 -0.42 0.00 0.00 57.16 56.85 1gh8 n GLU 75 Cb 0.00 -2.56 0.71 0.00 -0.57 0.00 0.00 31.44 29.03 1gh8 n GLU 75 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 1gh8 h GLY 76 N 16.07 0.00 0.74 0.62 0.00 -1.96 -2.67 103.07 115.86 1gh8 h GLY 76 Ca -0.16 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.83 1gh8 h GLY 76 CO 1.26 0.00 -1.90 1.55 0.00 0.00 0.00 176.54 177.45 1gh8 n VAL 77 N -4.01 1.73 -3.16 4.60 3.14 -1.26 -4.65 118.33 114.72 1gh8 n VAL 77 Ca -0.02 -0.70 -0.46 0.00 -2.96 0.00 0.00 64.34 60.20 1gh8 n VAL 77 Cb 0.17 -1.52 -0.02 0.00 -1.06 0.00 0.00 33.84 31.41 1gh8 n VAL 77 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 1gh8 s SER 78 N -6.75 6.75 0.09 6.55 0.01 -1.01 -0.64 113.70 118.70 1gh8 s SER 78 Ca -0.17 -2.49 -0.30 0.00 1.31 0.00 0.00 55.95 54.30 1gh8 s SER 78 Cb 0.07 -2.29 -0.06 0.00 0.21 0.00 0.00 66.02 63.95 1gh8 s SER 78 CO 0.79 -0.75 1.10 0.21 0.41 0.00 0.00 173.24 175.00 1gh8 s ASN 79 N 2.71 7.23 0.01 2.44 3.04 -0.92 -4.41 114.94 125.05 1gh8 s ASN 79 Ca 0.25 1.94 -0.01 0.00 0.04 0.00 0.00 52.86 55.08 1gh8 s ASN 79 Cb -0.08 -2.59 -0.04 0.00 -1.54 0.00 0.00 41.25 37.01 1gh8 s ASN 79 CO -0.09 -0.32 0.16 -0.63 -3.04 0.00 0.00 177.10 173.19 1gh8 s ILE 80 N 0.58 5.23 -1.36 -5.21 1.01 -1.26 -2.81 121.20 117.38 1gh8 s ILE 80 Ca 0.53 -0.30 -0.11 0.00 0.00 0.00 0.00 60.65 60.77 1gh8 s ILE 80 Cb -0.27 -3.47 0.11 0.00 0.01 0.00 0.00 42.46 38.85 1gh8 s ILE 80 CO 0.31 0.27 2.03 1.21 0.00 0.00 0.00 174.94 178.76 1gh8 n GLU 81 N 0.80 3.31 -0.92 2.79 4.07 0.16 -4.80 120.64 126.05 1gh8 n GLU 81 Ca -0.10 -3.14 -0.10 0.00 -0.06 0.00 0.00 57.16 53.76 1gh8 n GLU 81 Cb 0.52 -3.07 -0.14 0.00 -0.06 0.00 0.00 31.44 28.69 1gh8 n GLU 81 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 1gh8 n VAL 82 N 4.04 2.83 -0.64 6.31 0.31 -1.26 -3.33 118.33 126.58 1gh8 n VAL 82 Ca 0.45 -1.35 0.00 0.00 -0.01 0.00 0.00 64.34 63.43 1gh8 n VAL 82 Cb 0.37 -1.91 0.00 0.00 -0.91 0.00 0.00 33.84 31.40 1gh8 n VAL 82 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1gh8 n THR 83 N 2.30 0.33 -3.05 2.52 -1.04 -1.26 -5.05 114.28 109.03 1gh8 n THR 83 Ca 0.36 -0.35 -0.32 0.00 -2.04 0.00 0.00 64.05 61.70 1gh8 n THR 83 Cb 0.84 0.88 -0.05 0.00 -1.82 0.00 0.00 70.33 70.18 1gh8 n THR 83 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1gh8 s ASP 84 N -0.33 6.70 0.09 8.00 -1.08 -1.18 -5.03 116.67 123.84 1gh8 s ASP 84 Ca 0.00 1.23 -0.10 0.00 -0.52 0.00 0.00 52.55 53.17 1gh8 s ASP 84 Cb 0.00 -2.36 0.00 0.00 -1.46 0.00 0.00 42.92 39.11 1gh8 s ASP 84 CO 0.00 -0.26 0.22 0.54 0.52 0.00 0.00 175.17 176.18 1gh8 s VAL 85 N -2.10 0.13 -0.33 1.11 0.11 -1.26 -2.46 120.40 115.61 1gh8 s VAL 85 Ca 0.53 -1.10 0.01 0.00 -2.93 0.00 0.00 61.98 58.49 1gh8 s VAL 85 Cb -0.10 -1.32 0.14 0.00 -1.53 0.00 0.00 36.38 33.57 1gh8 s VAL 85 CO 0.22 -0.61 0.31 -0.13 -3.33 0.00 0.00 175.10 171.56 1gh8 s ARG 86 N -3.85 0.46 -1.09 1.54 0.52 0.29 -4.83 118.95 111.99 1gh8 s ARG 86 Ca 0.05 -0.57 -0.22 0.00 -0.52 0.00 0.00 55.73 54.47 1gh8 s ARG 86 Cb 0.04 -0.78 0.05 0.00 0.52 0.00 0.00 34.95 34.78 1gh8 s ARG 86 CO -0.11 -1.11 1.57 1.03 0.02 0.00 0.00 175.30 176.70 1gh8 s ARG 87 N 1.85 3.61 -1.33 3.54 1.81 -1.26 -0.90 118.95 126.27 1gh8 s ARG 87 Ca 0.13 -1.31 -0.16 0.00 -1.72 0.00 0.00 55.73 52.67 1gh8 s ARG 87 Cb -0.15 -5.39 0.08 0.00 -0.45 0.00 0.00 34.95 29.04 1gh8 s ARG 87 CO -0.18 -2.34 1.83 1.28 -0.68 0.00 0.00 175.30 175.21 1gh8 n LEU 88 N 9.22 5.59 -0.69 2.53 4.32 -0.89 -5.00 117.00 132.07 1gh8 n LEU 88 Ca 0.38 -4.10 0.13 0.00 -0.02 0.00 0.00 56.01 52.40 1gh8 n LEU 88 Cb 0.49 -1.69 0.34 0.00 -1.62 0.00 0.00 43.42 40.94 1gh8 n LEU 88 CO 0.69 0.56 0.76 0.23 -1.22 0.00 0.00 177.39 178.41