#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 3.95 -5.12 0.00 -0.30 -4.68 105.19 99.04 1gh8 n GLY 2 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 5.79 -0.12 1.61 1.01 0.27 -4.64 116.67 120.59 1gh8 s ASP 3 Ca 0.00 0.26 -0.10 0.00 0.71 0.00 0.00 52.55 53.43 1gh8 s ASP 3 Cb 0.00 -1.48 -0.05 0.00 1.01 0.00 0.00 42.92 42.40 1gh8 s ASP 3 CO 0.00 -0.73 0.20 -0.69 0.21 0.00 0.00 175.17 174.16 1gh8 s VAL 4 N -2.57 5.39 -0.16 -1.27 1.01 0.40 -1.97 120.40 121.23 1gh8 s VAL 4 Ca 0.49 0.35 -0.00 0.00 0.00 0.00 0.00 61.98 62.82 1gh8 s VAL 4 Cb -0.10 -3.49 0.04 0.00 0.00 0.00 0.00 36.38 32.83 1gh8 s VAL 4 CO 0.38 0.55 -0.07 -0.69 0.00 0.00 0.00 175.10 175.28 1gh8 s VAL 5 N -0.60 1.17 0.42 2.92 1.01 -0.34 -0.94 120.40 124.04 1gh8 s VAL 5 Ca 0.15 -0.59 0.04 0.00 0.00 0.00 0.00 61.98 61.58 1gh8 s VAL 5 Cb -0.13 -1.29 0.00 0.00 0.00 0.00 0.00 36.38 34.97 1gh8 s VAL 5 CO 0.04 0.20 0.61 0.00 0.00 0.00 0.00 175.10 175.95 1gh8 s ALA 6 N 1.62 4.04 -0.04 5.51 0.00 -0.99 -0.02 121.76 131.88 1gh8 s ALA 6 Ca 0.02 -1.31 -0.02 0.00 0.00 0.00 0.00 51.96 50.64 1gh8 s ALA 6 Cb -0.15 -1.91 0.03 0.00 0.00 0.00 0.00 23.12 21.09 1gh8 s ALA 6 CO -0.08 -0.31 0.09 0.99 0.00 0.00 0.00 175.76 176.45 1gh8 s THR 7 N -2.43 -0.04 -0.29 0.00 2.01 -0.14 -0.94 115.64 113.82 1gh8 s THR 7 Ca 0.49 0.15 0.03 0.00 0.31 0.00 0.00 61.69 62.67 1gh8 s THR 7 Cb -0.10 -0.16 0.07 0.00 0.01 0.00 0.00 72.50 72.33 1gh8 s THR 7 CO 0.35 0.06 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.66 1gh8 s ILE 8 N 0.85 2.16 -0.78 1.82 -1.09 -0.39 -3.15 121.20 120.63 1gh8 s ILE 8 Ca -0.07 -1.86 -0.17 0.00 -2.23 0.00 0.00 60.65 56.33 1gh8 s ILE 8 Cb -0.09 -2.39 0.15 0.00 -1.58 0.00 0.00 42.46 38.56 1gh8 s ILE 8 CO -0.03 -0.24 0.85 -0.54 -1.23 0.00 0.00 174.94 173.75 1gh8 s LYS 9 N 1.05 3.41 -0.04 2.79 -0.14 -1.22 0.16 119.74 125.77 1gh8 s LYS 9 Ca -0.02 -1.88 -0.17 0.00 -1.36 0.00 0.00 55.97 52.54 1gh8 s LYS 9 Cb -0.20 -4.52 -0.05 0.00 -1.68 0.00 0.00 37.83 31.38 1gh8 s LYS 9 CO -0.06 -1.51 0.45 0.14 -0.76 0.00 0.00 175.35 173.60 1gh8 s VAL 10 N 1.73 5.06 -0.18 3.17 -7.23 -0.69 0.06 120.40 122.33 1gh8 s VAL 10 Ca 0.20 0.92 -0.04 0.00 -1.81 0.00 0.00 61.98 61.24 1gh8 s VAL 10 Cb -0.13 -3.77 0.09 0.00 0.56 0.00 0.00 36.38 33.12 1gh8 s VAL 10 CO -0.04 0.48 0.28 0.00 -0.31 0.00 0.00 175.10 175.51 1gh8 s MET 11 N -0.40 0.21 0.08 4.82 0.23 -1.15 -0.57 119.30 122.52 1gh8 s MET 11 Ca 0.25 0.55 -0.31 0.00 -1.03 0.00 0.00 55.69 55.15 1gh8 s MET 11 Cb -0.16 -0.48 -0.09 0.00 -1.53 0.00 0.00 34.83 32.57 1gh8 s MET 11 CO 0.13 -0.47 1.72 -2.14 -2.03 0.00 0.00 175.02 172.22 1gh8 s PRO 12 N 2.43 4.18 0.50 3.16 0.02 -1.26 -2.39 135.00 141.63 1gh8 s PRO 12 Ca 0.05 2.42 0.19 0.00 0.02 0.00 0.00 61.00 63.67 1gh8 s PRO 12 Cb -0.14 -3.64 1.26 0.00 0.02 0.00 0.00 34.50 32.00 1gh8 s PRO 12 CO -0.11 -0.78 2.06 0.93 -0.33 0.00 0.00 177.00 178.77 1gh8 h GLU 13 N 8.57 0.09 -7.09 5.54 5.08 -1.05 -3.43 114.58 122.29 1gh8 h GLU 13 Ca -0.44 -0.01 -0.46 0.00 -1.00 0.00 0.00 59.36 57.46 1gh8 h GLU 13 Cb 1.21 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1gh8 h GLU 13 CO 0.94 0.06 0.36 -1.12 -1.00 0.00 0.00 179.01 178.25 1gh8 s SER 14 N -6.61 6.68 0.00 1.42 0.01 -1.26 -4.93 113.70 109.01 1gh8 s SER 14 Ca -0.06 1.75 0.10 0.00 1.31 0.00 0.00 55.95 59.05 1gh8 s SER 14 Cb 0.18 -2.54 0.50 0.00 0.21 0.00 0.00 66.02 64.37 1gh8 s SER 14 CO 0.71 -0.55 1.22 -0.81 0.41 0.00 0.00 173.24 174.23 1gh8 n PRO 15 N -0.92 0.12 -0.81 12.44 -0.04 -1.26 -2.55 135.00 141.98 1gh8 n PRO 15 Ca 0.08 0.21 -0.16 0.00 -0.04 0.00 0.00 63.50 63.58 1gh8 n PRO 15 Cb 0.54 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.59 1gh8 n PRO 15 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1gh8 n ASP 16 N -1.31 4.35 -4.57 3.54 8.00 -1.26 -4.87 116.55 120.43 1gh8 n ASP 16 Ca 0.04 -3.04 -0.23 0.00 0.71 0.00 0.00 54.79 52.27 1gh8 n ASP 16 Cb 0.08 -0.79 -0.07 0.00 -0.02 0.00 0.00 41.12 40.32 1gh8 n ASP 16 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1gh8 s VAL 17 N -2.23 3.34 -0.51 2.53 0.11 -1.06 -4.88 120.40 117.70 1gh8 s VAL 17 Ca 0.36 -0.42 -0.27 0.00 -2.93 0.00 0.00 61.98 58.71 1gh8 s VAL 17 Cb 0.29 -4.00 -0.01 0.00 -1.53 0.00 0.00 36.38 31.13 1gh8 s VAL 17 CO 0.05 -0.67 1.74 -1.81 -3.33 0.00 0.00 175.10 171.07 1gh8 s ASP 18 N 8.15 5.66 0.08 3.54 1.01 -1.26 -4.80 116.67 129.04 1gh8 s ASP 18 Ca 0.75 0.62 -0.23 0.00 0.71 0.00 0.00 52.55 54.41 1gh8 s ASP 18 Cb -0.06 -2.53 -0.14 0.00 1.01 0.00 0.00 42.92 41.20 1gh8 s ASP 18 CO 0.07 -2.02 1.67 0.25 0.21 0.00 0.00 175.17 175.35 1gh8 h LEU 19 N 14.83 0.05 -0.65 1.23 5.85 -1.90 0.24 115.31 134.96 1gh8 h LEU 19 Ca -0.28 -0.08 -0.14 0.00 0.84 0.00 0.00 57.88 58.21 1gh8 h LEU 19 Cb 1.15 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.16 1gh8 h LEU 19 CO 1.15 0.12 -0.46 -0.08 -0.34 0.00 0.00 178.44 178.83 1gh8 h GLU 20 N -0.02 0.51 -0.26 1.25 4.57 -2.00 -1.15 114.58 117.48 1gh8 h GLU 20 Ca 0.01 -0.28 -0.13 0.00 -1.18 0.00 0.00 59.36 57.78 1gh8 h GLU 20 Cb 0.08 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.68 1gh8 h GLU 20 CO -0.00 0.87 -0.37 0.00 -1.18 0.00 0.00 179.01 178.33 1gh8 h ALA 21 N 1.09 0.88 0.00 2.92 0.00 -1.94 -2.39 119.26 119.82 1gh8 h ALA 21 Ca 0.03 -0.42 -0.05 0.00 0.00 0.00 0.00 54.91 54.46 1gh8 h ALA 21 Cb 0.97 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1gh8 h ALA 21 CO 0.09 0.63 -0.25 1.25 0.00 0.00 0.00 179.25 180.97 1gh8 h LEU 22 N 0.49 0.00 -0.45 0.00 5.85 -0.13 -2.82 115.31 118.24 1gh8 h LEU 22 Ca 0.05 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.82 1gh8 h LEU 22 Cb 0.86 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.84 1gh8 h LEU 22 CO 0.07 0.25 0.18 0.11 -0.34 0.00 0.00 178.44 178.71 1gh8 h LYS 23 N 0.00 0.36 -0.53 1.25 6.56 -0.68 0.41 116.57 123.93 1gh8 h LYS 23 Ca -0.00 -0.02 -0.07 0.00 -1.06 0.00 0.00 60.65 59.49 1gh8 h LYS 23 Cb 0.52 -0.08 -0.02 0.00 -0.57 0.00 0.00 32.23 32.08 1gh8 h LYS 23 CO 0.03 0.24 0.05 0.87 -2.06 0.00 0.00 179.45 178.58 1gh8 h LYS 24 N 0.37 0.90 -0.07 3.15 1.57 -1.52 -2.60 116.57 118.38 1gh8 h LYS 24 Ca 0.21 -0.26 -0.07 0.00 -1.87 0.00 0.00 60.65 58.65 1gh8 h LYS 24 Cb 0.18 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1gh8 h LYS 24 CO -0.19 0.90 -0.30 0.93 -0.57 0.00 0.00 179.45 180.21 1gh8 h GLU 25 N 0.78 0.12 -0.69 3.15 5.08 -1.31 -2.81 114.58 118.91 1gh8 h GLU 25 Ca 0.16 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 1gh8 h GLU 25 Cb 0.46 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 1gh8 h GLU 25 CO 0.02 0.42 0.30 0.82 -1.00 0.00 0.00 179.01 179.56 1gh8 h ILE 26 N 0.11 1.24 -0.77 3.13 2.04 0.16 -1.36 117.51 122.05 1gh8 h ILE 26 Ca 0.02 -0.72 -0.04 0.00 1.00 0.00 0.00 64.86 65.12 1gh8 h ILE 26 Cb 0.60 0.43 -0.04 0.00 -0.74 0.00 0.00 36.82 37.07 1gh8 h ILE 26 CO 0.04 0.29 0.34 1.56 0.00 0.00 0.00 178.15 180.39 1gh8 h GLN 27 N 0.98 1.12 0.00 2.37 1.08 -1.22 -1.90 115.11 117.54 1gh8 h GLN 27 Ca 0.23 -0.18 -0.02 0.00 -1.45 0.00 0.00 58.65 57.24 1gh8 h GLN 27 Cb 0.17 -0.20 -0.00 0.00 -0.05 0.00 0.00 27.48 27.41 1gh8 h GLN 27 CO -0.02 0.88 -0.09 1.05 -0.95 0.00 0.00 178.83 179.70 1gh8 h GLU 28 N 1.10 0.00 0.00 1.46 -0.00 -1.42 -3.14 114.58 112.58 1gh8 h GLU 28 Ca 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.62 1gh8 h GLU 28 Cb 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.91 1gh8 h GLU 28 CO -0.03 0.09 -0.52 2.89 -0.00 0.00 0.00 179.01 181.45 1gh8 n ARG 29 N -3.14 0.13 -1.82 1.06 1.85 -0.54 -4.91 116.66 109.30 1gh8 n ARG 29 Ca 0.03 0.04 -0.41 0.00 -1.00 0.00 0.00 57.85 56.50 1gh8 n ARG 29 Cb 0.52 -1.58 -0.01 0.00 -1.05 0.00 0.00 32.46 30.34 1gh8 n ARG 29 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 1gh8 s ILE 30 N -3.07 2.11 -0.03 8.89 -1.09 -0.75 -4.76 121.20 122.49 1gh8 s ILE 30 Ca 0.09 0.10 -0.36 0.00 -2.23 0.00 0.00 60.65 58.25 1gh8 s ILE 30 Cb 0.16 -3.07 -0.15 0.00 -1.58 0.00 0.00 42.46 37.82 1gh8 s ILE 30 CO 0.70 0.02 1.62 -0.81 -1.23 0.00 0.00 174.94 175.23 1gh8 n PRO 31 N 1.15 1.59 0.00 2.79 -0.04 -1.26 -4.80 135.00 134.43 1gh8 n PRO 31 Ca 0.04 0.58 0.01 0.00 -0.04 0.00 0.00 63.50 64.08 1gh8 n PRO 31 Cb 0.39 -2.30 0.03 0.00 -0.04 0.00 0.00 33.50 31.57 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 4.36 0.03 -0.04 0.54 4.71 -1.26 -3.14 120.64 125.84 1gh8 n GLU 32 Ca 0.21 0.14 -0.01 0.00 -0.01 0.00 0.00 57.16 57.49 1gh8 n GLU 32 Cb 0.22 -1.50 -0.00 0.00 -1.01 0.00 0.00 31.44 29.14 1gh8 n GLU 32 CO 0.00 0.00 0.00 0.78 0.09 0.00 0.00 177.13 178.00 1gh8 h GLY 33 N 0.18 0.00 0.00 0.62 0.00 -1.79 -3.47 103.07 98.61 1gh8 h GLY 33 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1gh8 h GLY 33 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 176.54 178.95 1gh8 n THR 34 N -4.11 0.00 -4.36 4.70 -1.04 -1.19 -4.83 114.28 103.46 1gh8 n THR 34 Ca -0.02 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.81 1gh8 n THR 34 Cb 0.06 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.48 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 4.23 1.56 0.80 -2.82 2.02 -1.26 -4.81 118.70 118.42 1gh8 s GLU 35 Ca 0.00 -1.88 -0.14 0.00 0.02 0.00 0.00 54.97 52.98 1gh8 s GLU 35 Cb 0.00 -0.29 0.19 0.00 0.10 0.00 0.00 34.13 34.13 1gh8 s GLU 35 CO 0.00 -0.37 0.86 1.47 0.02 0.00 0.00 175.26 177.25 1gh8 n LEU 36 N -0.58 0.00 0.00 1.80 -0.00 -1.26 -2.79 117.00 114.17 1gh8 n LEU 36 Ca -0.00 -0.93 0.00 0.00 -0.00 0.00 0.00 56.01 55.07 1gh8 n LEU 36 Cb 0.66 -0.73 0.00 0.00 -0.00 0.00 0.00 43.42 43.35 1gh8 n LEU 36 CO 0.37 -1.54 0.00 1.57 -0.00 0.00 0.00 177.39 177.78 1gh8 n HIS 37 N -3.80 0.00 -3.63 1.47 -0.00 0.25 -3.26 115.22 106.24 1gh8 n HIS 37 Ca 0.11 0.00 -0.05 0.00 0.46 0.00 0.00 57.72 58.25 1gh8 n HIS 37 Cb 0.42 0.18 -0.06 0.00 -0.12 0.00 0.00 29.99 30.41 1gh8 n HIS 37 CO 0.00 0.00 0.00 0.15 0.46 0.00 0.00 176.34 176.95 1gh8 s LYS 38 N -0.64 0.63 0.26 1.57 -0.14 -1.22 -4.95 119.74 115.24 1gh8 s LYS 38 Ca 0.00 1.19 -0.04 0.00 -1.36 0.00 0.00 55.97 55.76 1gh8 s LYS 38 Cb 0.00 0.30 -0.05 0.00 -1.68 0.00 0.00 37.83 36.40 1gh8 s LYS 38 CO 0.00 -0.15 0.50 0.42 -0.76 0.00 0.00 175.35 175.36 1gh8 s ILE 39 N 1.90 5.07 -0.15 2.17 1.01 -1.25 -1.64 121.20 128.31 1gh8 s ILE 39 Ca -0.09 -0.05 0.02 0.00 0.00 0.00 0.00 60.65 60.53 1gh8 s ILE 39 Cb -0.06 -3.73 0.01 0.00 0.01 0.00 0.00 42.46 38.69 1gh8 s ILE 39 CO -0.19 -0.26 -0.20 -1.81 0.00 0.00 0.00 174.94 172.47 1gh8 s ASP 40 N -3.12 3.21 -1.31 3.58 1.11 -0.25 -4.84 116.67 115.05 1gh8 s ASP 40 Ca 0.42 -0.59 -0.08 0.00 0.18 0.00 0.00 52.55 52.48 1gh8 s ASP 40 Cb -0.11 -1.47 0.14 0.00 1.07 0.00 0.00 42.92 42.55 1gh8 s ASP 40 CO 0.29 0.07 2.09 -0.62 1.18 0.00 0.00 175.17 178.17 1gh8 n GLU 41 N 4.16 3.92 -3.91 8.23 1.02 -1.26 -0.96 120.64 131.85 1gh8 n GLU 41 Ca -0.20 -3.44 -0.32 0.00 -0.02 0.00 0.00 57.16 53.18 1gh8 n GLU 41 Cb 0.51 -2.83 -0.04 0.00 -0.02 0.00 0.00 31.44 29.06 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 -0.00 3.44 0.37 3.49 8.01 -0.55 -4.92 118.70 128.53 1gh8 s GLU 42 Ca 0.45 -0.37 -0.03 0.00 0.01 0.00 0.00 54.97 55.04 1gh8 s GLU 42 Cb 0.13 -3.07 -0.04 0.00 -4.31 0.00 0.00 34.13 26.84 1gh8 s GLU 42 CO -0.03 0.65 0.62 -1.25 0.01 0.00 0.00 175.26 175.25 1gh8 s PRO 43 N -2.19 3.55 0.00 0.39 0.04 -1.26 0.17 135.00 135.69 1gh8 s PRO 43 Ca 0.31 -0.09 0.00 0.00 0.04 0.00 0.00 61.00 61.26 1gh8 s PRO 43 Cb -0.13 -2.58 0.00 0.00 0.04 0.00 0.00 34.50 31.83 1gh8 s PRO 43 CO 0.23 0.07 0.00 -0.89 0.04 0.00 0.00 177.00 176.45 1gh8 n ILE 44 N -1.67 0.00 0.00 0.56 2.08 0.46 -4.72 119.36 116.07 1gh8 n ILE 44 Ca -0.02 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.29 1gh8 n ILE 44 Cb 0.55 -0.23 0.00 0.00 -0.75 0.00 0.00 39.64 39.21 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 -1.53 0.00 0.17 -1.39 0.00 -1.16 -4.87 120.51 111.73 1gh8 n ALA 45 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 1gh8 n ALA 45 Cb 0.00 0.00 0.29 0.00 0.00 0.00 0.00 19.45 19.74 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 -0.02 0.00 0.00 0.00 0.04 -2.03 -3.38 116.94 111.55 1gh8 h PHE 46 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1gh8 h PHE 46 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 1gh8 h PHE 46 CO 0.00 0.44 0.00 0.41 -0.60 0.00 0.00 178.31 178.56 1gh8 n GLY 47 N 0.19 0.26 3.46 -1.45 0.00 -1.26 -5.07 105.19 101.31 1gh8 n GLY 47 Ca -0.01 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 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 4.77 -0.15 0.99 1.43 -1.26 -4.96 118.68 119.49 1gh8 s LEU 48 Ca 0.00 -0.80 -0.17 0.00 -1.03 0.00 0.00 54.13 52.13 1gh8 s LEU 48 Cb 0.00 -2.53 -0.04 0.00 0.03 0.00 0.00 46.19 43.65 1gh8 s LEU 48 CO 0.00 -0.98 0.44 -0.69 0.23 0.00 0.00 176.35 175.36 1gh8 s VAL 49 N 2.94 5.19 0.13 -1.59 1.01 -1.26 -0.40 120.40 126.42 1gh8 s VAL 49 Ca 0.19 0.85 -0.06 0.00 0.00 0.00 0.00 61.98 62.95 1gh8 s VAL 49 Cb -0.18 -3.78 -0.06 0.00 0.00 0.00 0.00 36.38 32.37 1gh8 s VAL 49 CO 0.13 0.29 0.39 0.00 0.00 0.00 0.00 175.10 175.91 1gh8 s ALA 50 N 0.91 3.77 -0.31 5.51 0.00 0.45 -4.77 121.76 127.33 1gh8 s ALA 50 Ca 0.23 -0.51 -0.08 0.00 0.00 0.00 0.00 51.96 51.59 1gh8 s ALA 50 Cb -0.15 -2.17 0.00 0.00 0.00 0.00 0.00 23.12 20.81 1gh8 s ALA 50 CO 0.09 0.64 0.12 -0.51 0.00 0.00 0.00 175.76 176.10 1gh8 s LEU 51 N -2.51 4.02 -0.87 0.00 1.02 0.26 -1.49 118.68 119.12 1gh8 s LEU 51 Ca 0.40 -0.66 -0.20 0.00 0.02 0.00 0.00 54.13 53.69 1gh8 s LEU 51 Cb -0.12 -1.94 0.12 0.00 0.02 0.00 0.00 46.19 44.26 1gh8 s LEU 51 CO 0.23 -0.21 1.08 0.20 0.02 0.00 0.00 176.35 177.67 1gh8 s ASN 52 N 1.55 6.52 -0.54 2.29 0.01 -0.13 -1.70 114.94 122.94 1gh8 s ASN 52 Ca 0.03 -1.81 -0.25 0.00 -0.71 0.00 0.00 52.86 50.13 1gh8 s ASN 52 Cb -0.17 -2.40 0.04 0.00 0.41 0.00 0.00 41.25 39.12 1gh8 s ASN 52 CO 0.04 -1.15 0.95 -0.69 -1.51 0.00 0.00 177.10 174.75 1gh8 s VAL 53 N 2.99 4.38 0.60 1.60 1.01 0.12 -1.10 120.40 130.00 1gh8 s VAL 53 Ca 0.30 0.38 -0.07 0.00 0.00 0.00 0.00 61.98 62.59 1gh8 s VAL 53 Cb -0.08 -4.54 0.00 0.00 0.00 0.00 0.00 36.38 31.77 1gh8 s VAL 53 CO -0.05 -1.09 0.92 -0.04 0.00 0.00 0.00 175.10 174.84 1gh8 s MET 54 N 3.98 2.99 -0.02 2.72 -1.94 -0.65 -1.26 119.30 125.13 1gh8 s MET 54 Ca 0.32 0.11 -0.01 0.00 -1.71 0.00 0.00 55.69 54.40 1gh8 s MET 54 Cb -0.12 -2.24 0.01 0.00 2.01 0.00 0.00 34.83 34.49 1gh8 s MET 54 CO 0.20 -0.70 0.03 0.14 -0.01 0.00 0.00 175.02 174.69 1gh8 s VAL 55 N -3.03 -0.02 -0.40 -6.03 -7.23 -0.11 0.88 120.40 104.46 1gh8 s VAL 55 Ca 0.54 0.07 -0.18 0.00 -1.81 0.00 0.00 61.98 60.59 1gh8 s VAL 55 Cb -0.11 -0.07 0.01 0.00 0.56 0.00 0.00 36.38 36.78 1gh8 s VAL 55 CO 0.46 0.03 0.51 -0.69 -0.31 0.00 0.00 175.10 175.10 1gh8 s VAL 56 N 0.36 5.00 0.02 1.32 1.01 -1.12 -2.35 120.40 124.65 1gh8 s VAL 56 Ca -0.03 0.02 0.04 0.00 0.00 0.00 0.00 61.98 62.02 1gh8 s VAL 56 Cb -0.04 -4.05 -0.02 0.00 0.00 0.00 0.00 36.38 32.27 1gh8 s VAL 56 CO -0.01 -0.38 -0.13 0.68 0.00 0.00 0.00 175.10 175.25 1gh8 s VAL 57 N 2.40 1.06 0.04 2.92 -7.23 -0.11 -4.25 120.40 115.22 1gh8 s VAL 57 Ca 0.17 -0.82 0.00 0.00 -1.81 0.00 0.00 61.98 59.52 1gh8 s VAL 57 Cb -0.16 -0.94 0.00 0.00 0.56 0.00 0.00 36.38 35.85 1gh8 s VAL 57 CO 0.15 0.11 0.00 0.61 -0.31 0.00 0.00 175.10 175.66 1gh8 n GLY 58 N 2.23 -1.77 0.01 2.32 0.00 -1.26 -0.45 105.19 106.27 1gh8 n GLY 58 Ca -0.16 0.63 0.14 0.00 0.00 0.00 0.00 46.02 46.63 1gh8 n GLY 58 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1gh8 n ASP 59 N -2.42 0.12 -2.39 1.61 8.00 -1.26 -4.80 116.55 115.41 1gh8 n ASP 59 Ca 0.00 0.12 0.00 0.00 0.71 0.00 0.00 54.79 55.62 1gh8 n ASP 59 Cb 0.00 -0.31 0.00 0.00 -0.02 0.00 0.00 41.12 40.79 1gh8 n ASP 59 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1gh8 n ALA 60 N -1.38 0.00 -3.00 2.24 0.00 -1.26 -5.11 120.51 112.00 1gh8 n ALA 60 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1gh8 n ALA 60 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.76 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 -0.01 0.00 0.28 -1.26 -5.00 120.64 114.64 1gh8 n GLU 61 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1gh8 n GLU 61 Cb 0.00 0.00 0.01 0.00 1.43 0.00 0.00 31.44 32.88 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 -0.38 0.00 -1.84 0.00 -1.26 -3.70 105.19 98.01 1gh8 n GLY 62 Ca 0.00 -0.02 0.07 0.00 0.00 0.00 0.00 46.02 46.07 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 0.41 -0.96 0.00 -0.02 0.00 -1.26 -2.13 105.19 101.24 1gh8 n GLY 63 Ca 0.01 -0.06 0.11 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.45 0.28 0.20 2.61 -2.24 -1.24 -2.44 114.28 109.99 1gh8 n THR 64 Ca 0.04 0.07 0.18 0.00 -2.27 0.00 0.00 64.05 62.08 1gh8 n THR 64 Cb 0.16 -0.71 0.82 0.00 -2.10 0.00 0.00 70.33 68.51 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 -0.24 -0.78 4.11 -1.76 0.21 114.58 116.12 1gh8 h GLU 65 Ca 0.00 0.00 0.07 0.00 0.07 0.00 0.00 59.36 59.50 1gh8 h GLU 65 Cb 0.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 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 1.60 2.08 0.63 1.06 0.00 -1.81 -1.93 119.26 120.89 1gh8 h ALA 66 Ca 0.10 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1gh8 h ALA 66 Cb 0.69 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.51 1gh8 h ALA 66 CO -0.00 -0.33 -0.30 0.00 0.00 0.00 0.00 179.25 178.62 1gh8 h ALA 67 N 1.83 -0.85 -0.54 0.00 0.00 -1.23 0.14 119.26 118.61 1gh8 h ALA 67 Ca 0.12 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.85 1gh8 h ALA 67 Cb 0.52 0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 1gh8 h ALA 67 CO -0.00 -0.96 0.36 0.93 0.00 0.00 0.00 179.25 179.58 1gh8 h GLU 68 N -0.88 0.65 0.09 0.00 5.08 -1.56 -0.83 114.58 117.12 1gh8 h GLU 68 Ca -0.09 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1gh8 h GLU 68 Cb 0.66 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1gh8 h GLU 68 CO 0.14 0.43 -0.04 1.49 -1.00 0.00 0.00 179.01 180.03 1gh8 h GLU 69 N 0.67 -0.11 0.00 2.33 4.22 -0.87 -1.95 114.58 118.87 1gh8 h GLU 69 Ca 0.21 0.01 -0.00 0.00 0.08 0.00 0.00 59.36 59.65 1gh8 h GLU 69 Cb 0.02 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 1gh8 h GLU 69 CO -0.05 -0.01 -0.01 1.03 -2.18 0.00 0.00 179.01 177.79 1gh8 h SER 70 N -0.19 0.00 0.74 1.04 0.87 -0.12 -1.91 113.55 113.98 1gh8 h SER 70 Ca -0.01 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.44 1gh8 h SER 70 Cb 0.15 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.10 1gh8 h SER 70 CO 0.02 0.01 -0.53 -0.07 -0.53 0.00 0.00 176.83 175.73 1gh8 h LEU 71 N 0.00 0.00 -1.40 2.23 -0.00 -0.39 0.55 115.31 116.30 1gh8 h LEU 71 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1gh8 h LEU 71 Cb 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.90 1gh8 h LEU 71 CO 0.00 0.53 0.00 -1.28 -0.00 0.00 0.00 178.44 177.69 1gh8 h SER 72 N 0.00 0.00 0.00 -0.43 0.87 -1.02 -3.05 113.55 109.92 1gh8 h SER 72 Ca -0.01 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.42 1gh8 h SER 72 Cb 1.04 0.00 -0.22 0.00 -0.44 0.00 0.00 62.40 62.78 1gh8 h SER 72 CO 0.07 0.00 -0.58 0.61 -0.53 0.00 0.00 176.83 176.40 1gh8 n GLY 73 N -0.83 0.72 0.00 5.77 0.00 -1.03 -5.13 105.19 104.70 1gh8 n GLY 73 Ca -0.00 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 0.20 0.00 -1.53 -0.61 3.06 0.19 -4.75 119.36 115.91 1gh8 n ILE 74 Ca -0.12 0.00 -0.20 0.00 -2.50 0.00 0.00 62.75 59.93 1gh8 n ILE 74 Cb 0.87 -1.35 -0.13 0.00 0.54 0.00 0.00 39.64 39.57 1gh8 n ILE 74 CO 0.00 0.00 0.00 -1.84 -2.50 0.00 0.00 176.55 172.21 1gh8 n GLU 75 N -0.22 0.37 0.30 9.51 0.00 -1.26 -4.73 120.64 124.60 1gh8 n GLU 75 Ca 0.00 -0.43 0.16 0.00 0.00 0.00 0.00 57.16 56.89 1gh8 n GLU 75 Cb 0.00 -2.58 0.94 0.00 0.00 0.00 0.00 31.44 29.79 1gh8 n GLU 75 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.13 177.91 1gh8 h GLY 76 N 17.60 0.00 1.01 -1.84 0.00 -1.97 -2.12 103.07 115.75 1gh8 h GLY 76 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.00 1gh8 h GLY 76 CO 1.26 0.00 -1.70 -0.24 0.00 0.00 0.00 176.54 175.87 1gh8 h VAL 77 N 0.00 0.96 -3.17 4.60 3.04 -1.95 -3.42 116.25 116.31 1gh8 h VAL 77 Ca -0.00 -2.63 -0.74 0.00 -1.01 0.00 0.00 66.70 62.32 1gh8 h VAL 77 Cb 0.08 2.66 -0.22 0.00 -2.01 0.00 0.00 31.29 31.80 1gh8 h VAL 77 CO 0.00 0.80 0.28 -0.55 -1.01 0.00 0.00 177.57 177.10 1gh8 s SER 78 N -6.93 6.55 0.07 3.17 0.15 -0.80 -0.32 113.70 115.59 1gh8 s SER 78 Ca -0.13 -2.16 -0.30 0.00 0.70 0.00 0.00 55.95 54.06 1gh8 s SER 78 Cb 0.07 -2.28 -0.05 0.00 -1.71 0.00 0.00 66.02 62.04 1gh8 s SER 78 CO 0.83 -0.85 1.12 0.21 1.20 0.00 0.00 173.24 175.75 1gh8 s ASN 79 N 3.00 7.19 0.03 5.45 3.04 -1.01 -4.35 114.94 128.29 1gh8 s ASN 79 Ca 0.19 1.94 -0.01 0.00 0.04 0.00 0.00 52.86 55.02 1gh8 s ASN 79 Cb -0.13 -2.58 -0.04 0.00 -1.54 0.00 0.00 41.25 36.96 1gh8 s ASN 79 CO -0.05 -0.37 0.17 -0.63 -3.04 0.00 0.00 177.10 173.18 1gh8 s ILE 80 N 0.82 5.22 -1.33 -5.21 1.09 -1.26 -2.92 121.20 117.62 1gh8 s ILE 80 Ca 0.55 -0.36 -0.12 0.00 -1.10 0.00 0.00 60.65 59.63 1gh8 s ILE 80 Cb -0.27 -3.49 0.12 0.00 -1.06 0.00 0.00 42.46 37.76 1gh8 s ILE 80 CO 0.30 0.23 1.95 1.21 -0.10 0.00 0.00 174.94 178.53 1gh8 n GLU 81 N 0.65 3.33 -1.11 2.79 4.07 0.11 -4.82 120.64 125.66 1gh8 n GLU 81 Ca -0.08 -3.24 -0.19 0.00 -0.06 0.00 0.00 57.16 53.59 1gh8 n GLU 81 Cb 0.52 -3.08 -0.13 0.00 -0.06 0.00 0.00 31.44 28.68 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 4.17 3.34 -0.67 6.31 0.31 -1.26 -3.38 118.33 127.15 1gh8 n VAL 82 Ca 0.44 -1.86 0.00 0.00 -0.01 0.00 0.00 64.34 62.91 1gh8 n VAL 82 Cb 0.38 -2.11 0.00 0.00 -0.91 0.00 0.00 33.84 31.20 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 2.64 0.19 -2.96 2.52 -1.04 -1.26 -5.07 114.28 109.30 1gh8 n THR 83 Ca 0.51 -0.26 -0.40 0.00 -2.04 0.00 0.00 64.05 61.86 1gh8 n THR 83 Cb 0.74 1.19 -0.04 0.00 -1.82 0.00 0.00 70.33 70.39 1gh8 n THR 83 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1gh8 s ASP 84 N -0.19 7.14 -0.13 8.00 1.11 -1.19 -5.02 116.67 126.39 1gh8 s ASP 84 Ca 0.00 1.37 -0.12 0.00 0.18 0.00 0.00 52.55 53.98 1gh8 s ASP 84 Cb 0.00 -2.46 0.04 0.00 1.07 0.00 0.00 42.92 41.56 1gh8 s ASP 84 CO 0.00 -0.09 0.36 0.54 1.18 0.00 0.00 175.17 177.16 1gh8 s VAL 85 N 0.52 -0.00 -0.25 -1.27 0.11 -1.26 -0.96 120.40 117.28 1gh8 s VAL 85 Ca 0.41 0.00 -0.02 0.00 -2.93 0.00 0.00 61.98 59.44 1gh8 s VAL 85 Cb -0.19 -0.50 0.08 0.00 -1.53 0.00 0.00 36.38 34.23 1gh8 s VAL 85 CO 0.22 0.00 0.07 -0.13 -3.33 0.00 0.00 175.10 171.93 1gh8 s ARG 86 N 0.22 0.60 -1.03 1.54 3.00 0.98 -4.99 118.95 119.28 1gh8 s ARG 86 Ca -0.00 -0.68 -0.22 0.00 0.00 0.00 0.00 55.73 54.84 1gh8 s ARG 86 Cb -0.03 -1.92 0.07 0.00 0.00 0.00 0.00 34.95 33.07 1gh8 s ARG 86 CO 0.00 -0.83 1.41 1.03 0.00 0.00 0.00 175.30 176.92 1gh8 s ARG 87 N 1.81 3.64 -1.01 3.54 1.81 -1.26 -1.20 118.95 126.27 1gh8 s ARG 87 Ca 0.04 -1.34 -0.22 0.00 -1.72 0.00 0.00 55.73 52.49 1gh8 s ARG 87 Cb -0.17 -5.29 0.06 0.00 -0.45 0.00 0.00 34.95 29.11 1gh8 s ARG 87 CO -0.19 -2.12 1.40 -0.51 -0.68 0.00 0.00 175.30 173.20 1gh8 s LEU 88 N 4.41 3.75 0.00 2.53 1.43 -0.83 -5.01 118.68 124.96 1gh8 s LEU 88 Ca 0.44 -1.55 0.27 0.00 -1.03 0.00 0.00 54.13 52.26 1gh8 s LEU 88 Cb -0.01 -2.54 0.77 0.00 0.03 0.00 0.00 46.19 44.44 1gh8 s LEU 88 CO -0.08 -1.44 1.59 0.80 0.23 0.00 0.00 176.35 177.45