#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 0.01 3.96 -5.12 0.00 0.29 -4.61 105.19 99.72 1gh8 n GLY 2 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 5.88 -0.31 1.61 1.01 0.36 -4.61 116.67 120.61 1gh8 s ASP 3 Ca 0.00 0.14 -0.14 0.00 0.71 0.00 0.00 52.55 53.26 1gh8 s ASP 3 Cb 0.00 -1.44 -0.03 0.00 1.01 0.00 0.00 42.92 42.46 1gh8 s ASP 3 CO 0.00 -0.61 0.30 -0.69 0.21 0.00 0.00 175.17 174.38 1gh8 s VAL 4 N -2.43 5.22 -0.23 -1.27 1.01 0.15 -2.09 120.40 120.77 1gh8 s VAL 4 Ca 0.47 0.17 -0.05 0.00 0.00 0.00 0.00 61.98 62.57 1gh8 s VAL 4 Cb -0.10 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.57 1gh8 s VAL 4 CO 0.36 0.07 -0.00 -0.69 0.00 0.00 0.00 175.10 174.83 1gh8 s VAL 5 N 1.92 3.73 0.48 2.92 1.01 0.47 -0.62 120.40 130.31 1gh8 s VAL 5 Ca 0.10 -0.37 0.03 0.00 0.00 0.00 0.00 61.98 61.74 1gh8 s VAL 5 Cb -0.16 -2.72 0.01 0.00 0.00 0.00 0.00 36.38 33.51 1gh8 s VAL 5 CO 0.11 0.39 0.68 0.00 0.00 0.00 0.00 175.10 176.28 1gh8 s ALA 6 N 1.49 3.99 -0.04 5.51 0.00 -0.88 0.11 121.76 131.94 1gh8 s ALA 6 Ca 0.06 -1.32 -0.01 0.00 0.00 0.00 0.00 51.96 50.68 1gh8 s ALA 6 Cb -0.15 -1.98 0.03 0.00 0.00 0.00 0.00 23.12 21.02 1gh8 s ALA 6 CO -0.01 -0.49 0.08 0.99 0.00 0.00 0.00 175.76 176.33 1gh8 s THR 7 N -2.58 -0.05 -0.30 0.00 2.01 -1.05 -1.05 115.64 112.62 1gh8 s THR 7 Ca 0.53 0.17 0.03 0.00 0.31 0.00 0.00 61.69 62.74 1gh8 s THR 7 Cb -0.10 -0.15 0.08 0.00 0.01 0.00 0.00 72.50 72.34 1gh8 s THR 7 CO 0.37 0.07 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.71 1gh8 s ILE 8 N 0.98 2.16 -0.75 1.82 -1.09 -0.40 -3.19 121.20 120.73 1gh8 s ILE 8 Ca -0.08 -1.95 -0.17 0.00 -2.23 0.00 0.00 60.65 56.22 1gh8 s ILE 8 Cb -0.11 -2.44 0.16 0.00 -1.58 0.00 0.00 42.46 38.49 1gh8 s ILE 8 CO -0.04 -0.32 0.79 -0.54 -1.23 0.00 0.00 174.94 173.61 1gh8 s LYS 9 N 1.03 3.38 -0.02 2.79 -0.14 -1.21 0.35 119.74 125.92 1gh8 s LYS 9 Ca 0.01 -1.91 -0.17 0.00 -1.36 0.00 0.00 55.97 52.54 1gh8 s LYS 9 Cb -0.19 -4.47 -0.05 0.00 -1.68 0.00 0.00 37.83 31.43 1gh8 s LYS 9 CO -0.07 -1.47 0.46 0.14 -0.76 0.00 0.00 175.35 173.66 1gh8 s VAL 10 N 1.55 5.02 -0.14 3.17 -7.23 -0.54 0.45 120.40 122.67 1gh8 s VAL 10 Ca 0.17 0.95 -0.05 0.00 -1.81 0.00 0.00 61.98 61.25 1gh8 s VAL 10 Cb -0.15 -3.78 0.07 0.00 0.56 0.00 0.00 36.38 33.07 1gh8 s VAL 10 CO -0.03 0.50 0.28 -0.32 -0.31 0.00 0.00 175.10 175.21 1gh8 s MET 11 N -0.56 0.17 -0.06 4.82 0.00 -1.07 -0.62 119.30 121.97 1gh8 s MET 11 Ca 0.25 0.74 -0.30 0.00 0.00 0.00 0.00 55.69 56.39 1gh8 s MET 11 Cb -0.17 -0.07 -0.04 0.00 0.00 0.00 0.00 34.83 34.55 1gh8 s MET 11 CO 0.14 -0.31 1.43 -2.14 0.00 0.00 0.00 175.02 174.14 1gh8 s PRO 12 N 2.43 4.24 0.52 4.11 0.02 -1.26 -2.19 135.00 142.87 1gh8 s PRO 12 Ca 0.02 1.94 0.19 0.00 0.02 0.00 0.00 61.00 63.17 1gh8 s PRO 12 Cb -0.12 -3.75 1.29 0.00 0.02 0.00 0.00 34.50 31.94 1gh8 s PRO 12 CO -0.09 -0.69 2.08 0.93 -0.33 0.00 0.00 177.00 178.90 1gh8 h GLU 13 N 8.43 0.04 -7.02 5.54 4.39 -1.13 -3.43 114.58 121.40 1gh8 h GLU 13 Ca -0.35 -0.00 -0.46 0.00 0.34 0.00 0.00 59.36 58.89 1gh8 h GLU 13 Cb 1.16 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.80 1gh8 h GLU 13 CO 0.94 0.02 0.37 -1.12 -1.16 0.00 0.00 179.01 178.06 1gh8 s SER 14 N -6.71 6.82 0.00 1.42 0.01 -1.26 -4.92 113.70 109.06 1gh8 s SER 14 Ca -0.05 1.84 0.07 0.00 1.31 0.00 0.00 55.95 59.12 1gh8 s SER 14 Cb 0.18 -2.56 0.35 0.00 0.21 0.00 0.00 66.02 64.20 1gh8 s SER 14 CO 0.70 -0.44 1.11 -0.81 0.41 0.00 0.00 173.24 174.21 1gh8 n PRO 15 N -0.42 0.08 -0.84 12.44 -0.04 -1.26 -2.44 135.00 142.52 1gh8 n PRO 15 Ca 0.06 0.25 -0.17 0.00 -0.04 0.00 0.00 63.50 63.60 1gh8 n PRO 15 Cb 0.52 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.57 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 -1.33 4.80 -4.57 3.54 8.00 -1.26 -4.87 116.55 120.86 1gh8 n ASP 16 Ca 0.03 -3.08 -0.24 0.00 0.71 0.00 0.00 54.79 52.22 1gh8 n ASP 16 Cb 0.06 -0.84 -0.06 0.00 -0.02 0.00 0.00 41.12 40.26 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 -2.36 3.36 -0.49 2.53 0.11 -1.02 -4.88 120.40 117.64 1gh8 s VAL 17 Ca 0.36 -0.40 -0.27 0.00 -2.93 0.00 0.00 61.98 58.74 1gh8 s VAL 17 Cb 0.30 -3.96 -0.02 0.00 -1.53 0.00 0.00 36.38 31.17 1gh8 s VAL 17 CO 0.04 -0.72 1.83 -1.81 -3.33 0.00 0.00 175.10 171.11 1gh8 s ASP 18 N 8.23 5.53 0.07 3.54 1.01 -1.26 -4.85 116.67 128.94 1gh8 s ASP 18 Ca 0.75 0.74 -0.26 0.00 0.71 0.00 0.00 52.55 54.49 1gh8 s ASP 18 Cb -0.06 -2.53 -0.17 0.00 1.01 0.00 0.00 42.92 41.17 1gh8 s ASP 18 CO 0.05 -2.10 1.65 0.25 0.21 0.00 0.00 175.17 175.23 1gh8 h LEU 19 N 15.30 -0.24 -0.57 1.23 6.46 -1.90 0.31 115.31 135.91 1gh8 h LEU 19 Ca -0.29 -0.03 -0.15 0.00 -0.12 0.00 0.00 57.88 57.29 1gh8 h LEU 19 Cb 1.16 0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 41.15 1gh8 h LEU 19 CO 1.14 -0.12 -0.49 -0.08 -0.62 0.00 0.00 178.44 178.27 1gh8 h GLU 20 N -0.33 0.58 -0.23 1.25 4.57 -2.00 -1.45 114.58 116.97 1gh8 h GLU 20 Ca -0.03 -0.34 -0.11 0.00 -1.18 0.00 0.00 59.36 57.71 1gh8 h GLU 20 Cb 0.26 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.86 1gh8 h GLU 20 CO 0.05 0.94 -0.32 0.00 -1.18 0.00 0.00 179.01 178.50 1gh8 h ALA 21 N 1.00 1.03 -0.14 2.92 0.00 -1.94 -2.27 119.26 119.86 1gh8 h ALA 21 Ca 0.02 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.48 1gh8 h ALA 21 Cb 1.02 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1gh8 h ALA 21 CO 0.09 0.59 -0.21 1.25 0.00 0.00 0.00 179.25 180.97 1gh8 h LEU 22 N 0.40 0.23 -0.44 0.00 5.85 -0.01 -2.70 115.31 118.64 1gh8 h LEU 22 Ca 0.05 -0.06 0.07 0.00 0.84 0.00 0.00 57.88 58.78 1gh8 h LEU 22 Cb 0.76 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.67 1gh8 h LEU 22 CO 0.06 0.45 0.10 0.11 -0.34 0.00 0.00 178.44 178.82 1gh8 h LYS 23 N 0.22 0.23 -0.44 1.25 6.56 -0.66 0.46 116.57 124.19 1gh8 h LYS 23 Ca 0.04 -0.01 -0.08 0.00 -1.06 0.00 0.00 60.65 59.54 1gh8 h LYS 23 Cb 0.50 -0.05 -0.02 0.00 -0.57 0.00 0.00 32.23 32.10 1gh8 h LYS 23 CO 0.03 0.15 -0.03 0.87 -2.06 0.00 0.00 179.45 178.41 1gh8 h LYS 24 N 0.24 0.81 0.00 3.15 1.57 -1.46 -2.70 116.57 118.17 1gh8 h LYS 24 Ca 0.21 -0.27 -0.05 0.00 -1.87 0.00 0.00 60.65 58.67 1gh8 h LYS 24 Cb 0.26 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1gh8 h LYS 24 CO -0.27 0.88 -0.26 0.93 -0.57 0.00 0.00 179.45 180.17 1gh8 h GLU 25 N 0.65 0.00 -0.39 3.15 5.08 -1.07 -2.84 114.58 119.15 1gh8 h GLU 25 Ca 0.12 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 1gh8 h GLU 25 Cb 0.54 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 1gh8 h GLU 25 CO 0.03 0.26 0.21 0.82 -1.00 0.00 0.00 179.01 179.33 1gh8 h ILE 26 N 0.00 1.16 -0.57 3.13 2.04 0.23 -1.83 117.51 121.66 1gh8 h ILE 26 Ca -0.00 -0.42 -0.00 0.00 1.00 0.00 0.00 64.86 65.44 1gh8 h ILE 26 Cb 0.48 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 37.24 1gh8 h ILE 26 CO 0.03 0.16 0.35 1.56 0.00 0.00 0.00 178.15 180.26 1gh8 h GLN 27 N 0.50 0.77 0.00 2.37 4.20 -1.36 -0.73 115.11 120.86 1gh8 h GLN 27 Ca 0.14 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.73 1gh8 h GLN 27 Cb 0.07 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 1gh8 h GLN 27 CO -0.02 0.53 -0.27 0.93 -0.67 0.00 0.00 178.83 179.34 1gh8 h GLU 28 N 0.79 0.00 0.00 1.46 4.39 -1.43 -3.09 114.58 116.70 1gh8 h GLU 28 Ca 0.21 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.91 1gh8 h GLU 28 Cb -0.04 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.61 1gh8 h GLU 28 CO -0.04 0.27 -0.91 2.89 -1.16 0.00 0.00 179.01 180.05 1gh8 n ARG 29 N -3.32 0.28 -1.76 2.33 1.85 -0.62 -4.94 116.66 110.48 1gh8 n ARG 29 Ca 0.01 0.02 -0.41 0.00 -1.00 0.00 0.00 57.85 56.46 1gh8 n ARG 29 Cb 0.51 -1.61 -0.00 0.00 -1.05 0.00 0.00 32.46 30.30 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 -1.99 1.96 -1.50 8.89 2.08 -0.38 -4.71 119.36 123.72 1gh8 n ILE 30 Ca 0.02 -0.49 -0.51 0.00 0.56 0.00 0.00 62.75 62.33 1gh8 n ILE 30 Cb 0.43 -1.87 -0.07 0.00 -0.75 0.00 0.00 39.64 37.38 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 0.53 1.17 0.00 0.38 -0.04 -1.26 -4.78 135.00 131.00 1gh8 n PRO 31 Ca 0.02 0.35 0.00 0.00 -0.04 0.00 0.00 63.50 63.83 1gh8 n PRO 31 Cb 0.38 -2.42 0.00 0.00 -0.04 0.00 0.00 33.50 31.42 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 7.70 0.00 0.11 0.54 -0.58 -1.26 -2.31 120.64 124.84 1gh8 n GLU 32 Ca 0.38 0.00 -0.24 0.00 -0.42 0.00 0.00 57.16 56.88 1gh8 n GLU 32 Cb 0.22 -1.47 -0.15 0.00 -0.57 0.00 0.00 31.44 29.46 1gh8 n GLU 32 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 1gh8 h GLY 33 N 0.00 0.53 0.00 0.62 0.00 -1.82 -3.48 103.07 98.92 1gh8 h GLY 33 Ca 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 47.33 45.97 1gh8 h GLY 33 CO 0.00 1.19 0.00 2.41 0.00 0.00 0.00 176.54 180.14 1gh8 n THR 34 N -3.65 0.00 -4.23 4.70 -1.04 -0.98 -4.74 114.28 104.34 1gh8 n THR 34 Ca -0.21 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.66 1gh8 n THR 34 Cb 1.09 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 69.50 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 4.78 1.16 0.60 -2.82 0.41 -1.26 -4.91 118.70 116.67 1gh8 s GLU 35 Ca 0.00 -1.59 -0.10 0.00 -0.41 0.00 0.00 54.97 52.87 1gh8 s GLU 35 Cb 0.00 -0.07 0.14 0.00 -1.78 0.00 0.00 34.13 32.42 1gh8 s GLU 35 CO 0.00 -0.24 0.69 1.47 -0.49 0.00 0.00 175.26 176.69 1gh8 n LEU 36 N -0.27 0.00 0.00 1.80 -0.00 -1.26 -2.01 117.00 115.26 1gh8 n LEU 36 Ca -0.03 -0.75 0.00 0.00 -0.00 0.00 0.00 56.01 55.23 1gh8 n LEU 36 Cb 0.65 -0.56 0.00 0.00 -0.00 0.00 0.00 43.42 43.50 1gh8 n LEU 36 CO 0.34 -1.27 0.00 1.57 -0.00 0.00 0.00 177.39 178.03 1gh8 n HIS 37 N -3.33 0.00 -3.64 1.47 -0.00 0.19 -3.09 115.22 106.81 1gh8 n HIS 37 Ca 0.09 0.00 -0.07 0.00 -0.00 0.00 0.00 57.72 57.74 1gh8 n HIS 37 Cb 0.32 0.13 -0.07 0.00 -0.00 0.00 0.00 29.99 30.38 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 -0.50 0.59 0.32 1.57 2.47 -1.23 -4.96 119.74 117.99 1gh8 s LYS 38 Ca 0.00 0.92 -0.01 0.00 -1.56 0.00 0.00 55.97 55.33 1gh8 s LYS 38 Cb 0.00 0.17 -0.04 0.00 -1.46 0.00 0.00 37.83 36.50 1gh8 s LYS 38 CO 0.00 -0.11 0.53 0.42 0.16 0.00 0.00 175.35 176.35 1gh8 s ILE 39 N 1.19 5.11 -0.09 5.43 1.01 -1.25 -1.78 121.20 130.81 1gh8 s ILE 39 Ca -0.07 -0.37 0.03 0.00 0.00 0.00 0.00 60.65 60.24 1gh8 s ILE 39 Cb -0.05 -3.82 0.01 0.00 0.01 0.00 0.00 42.46 38.61 1gh8 s ILE 39 CO -0.14 -0.47 -0.18 -0.62 0.00 0.00 0.00 174.94 173.53 1gh8 s ASP 40 N -3.77 2.54 -1.26 3.58 2.15 -0.41 -4.85 116.67 114.65 1gh8 s ASP 40 Ca 0.40 -0.45 -0.08 0.00 0.43 0.00 0.00 52.55 52.85 1gh8 s ASP 40 Cb -0.10 -1.16 0.18 0.00 -0.30 0.00 0.00 42.92 41.54 1gh8 s ASP 40 CO 0.34 0.08 1.88 -0.62 -0.17 0.00 0.00 175.17 176.68 1gh8 n GLU 41 N 3.81 3.83 -3.94 4.34 1.02 -1.26 -1.00 120.64 127.43 1gh8 n GLU 41 Ca -0.20 -3.65 -0.32 0.00 -0.02 0.00 0.00 57.16 52.97 1gh8 n GLU 41 Cb 0.52 -2.85 -0.05 0.00 -0.02 0.00 0.00 31.44 29.05 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 -0.17 3.35 0.39 3.49 8.01 -0.55 -4.92 118.70 128.30 1gh8 s GLU 42 Ca 0.40 -0.42 -0.02 0.00 0.01 0.00 0.00 54.97 54.94 1gh8 s GLU 42 Cb 0.10 -3.02 -0.04 0.00 -4.31 0.00 0.00 34.13 26.87 1gh8 s GLU 42 CO 0.01 0.64 0.63 -1.25 0.01 0.00 0.00 175.26 175.30 1gh8 s PRO 43 N -2.20 3.51 0.00 0.39 0.04 -1.26 0.17 135.00 135.65 1gh8 s PRO 43 Ca 0.30 -0.13 0.00 0.00 0.04 0.00 0.00 61.00 61.22 1gh8 s PRO 43 Cb -0.13 -2.56 0.00 0.00 0.04 0.00 0.00 34.50 31.86 1gh8 s PRO 43 CO 0.22 0.02 0.00 -0.89 0.04 0.00 0.00 177.00 176.40 1gh8 n ILE 44 N -1.92 0.00 0.00 0.56 2.08 0.09 -4.71 119.36 115.46 1gh8 n ILE 44 Ca -0.03 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.28 1gh8 n ILE 44 Cb 0.56 -0.21 0.00 0.00 -0.75 0.00 0.00 39.64 39.24 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 -1.63 0.00 0.15 -1.39 0.00 -1.13 -4.88 120.51 111.63 1gh8 n ALA 45 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 1gh8 n ALA 45 Cb 0.00 0.00 0.23 0.00 0.00 0.00 0.00 19.45 19.68 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 -0.08 0.00 0.00 0.00 -1.00 -2.03 -3.39 116.94 110.45 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 0.53 0.00 0.41 -1.61 0.00 0.00 178.31 177.64 1gh8 n GLY 47 N 0.21 0.38 3.48 -1.45 0.00 -1.26 -5.06 105.19 101.49 1gh8 n GLY 47 Ca -0.01 0.00 -0.43 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 4.62 -0.10 0.99 1.43 -1.26 -4.97 118.68 119.38 1gh8 s LEU 48 Ca 0.00 -0.65 -0.17 0.00 -1.03 0.00 0.00 54.13 52.28 1gh8 s LEU 48 Cb 0.00 -2.61 -0.05 0.00 0.03 0.00 0.00 46.19 43.56 1gh8 s LEU 48 CO 0.00 -1.00 0.43 -0.69 0.23 0.00 0.00 176.35 175.32 1gh8 s VAL 49 N 3.11 5.17 0.39 -1.59 1.01 -1.26 -0.73 120.40 126.49 1gh8 s VAL 49 Ca 0.21 0.85 0.03 0.00 0.00 0.00 0.00 61.98 63.08 1gh8 s VAL 49 Cb -0.16 -3.76 -0.01 0.00 0.00 0.00 0.00 36.38 32.45 1gh8 s VAL 49 CO 0.15 0.39 0.57 0.00 0.00 0.00 0.00 175.10 176.21 1gh8 s ALA 50 N 0.24 3.94 -0.21 5.51 0.00 0.46 -4.76 121.76 126.94 1gh8 s ALA 50 Ca 0.24 -1.21 0.02 0.00 0.00 0.00 0.00 51.96 51.01 1gh8 s ALA 50 Cb -0.15 -1.94 0.04 0.00 0.00 0.00 0.00 23.12 21.07 1gh8 s ALA 50 CO 0.10 -0.18 -0.16 -0.51 0.00 0.00 0.00 175.76 175.01 1gh8 s LEU 51 N -4.36 2.58 -0.87 0.00 1.02 0.21 -1.48 118.68 115.78 1gh8 s LEU 51 Ca 0.45 -0.93 -0.19 0.00 0.02 0.00 0.00 54.13 53.49 1gh8 s LEU 51 Cb -0.10 -1.47 0.12 0.00 0.02 0.00 0.00 46.19 44.77 1gh8 s LEU 51 CO 0.35 -0.08 1.07 0.20 0.02 0.00 0.00 176.35 177.91 1gh8 s ASN 52 N 1.24 6.54 -0.56 2.29 0.02 -0.17 -1.47 114.94 122.83 1gh8 s ASN 52 Ca -0.00 -1.88 -0.24 0.00 -1.02 0.00 0.00 52.86 49.72 1gh8 s ASN 52 Cb -0.16 -2.39 0.04 0.00 0.02 0.00 0.00 41.25 38.77 1gh8 s ASN 52 CO -0.10 -1.11 0.93 -0.69 0.02 0.00 0.00 177.10 176.16 1gh8 s VAL 53 N 2.81 4.40 0.62 1.60 1.01 0.16 -1.28 120.40 129.71 1gh8 s VAL 53 Ca 0.30 0.19 -0.07 0.00 0.00 0.00 0.00 61.98 62.39 1gh8 s VAL 53 Cb -0.08 -4.54 0.01 0.00 0.00 0.00 0.00 36.38 31.77 1gh8 s VAL 53 CO -0.06 -1.14 0.95 -0.04 0.00 0.00 0.00 175.10 174.82 1gh8 s MET 54 N 3.91 2.92 0.00 2.72 -1.94 -0.73 -1.27 119.30 124.91 1gh8 s MET 54 Ca 0.29 0.12 0.00 0.00 -1.71 0.00 0.00 55.69 54.40 1gh8 s MET 54 Cb -0.13 -2.21 -0.00 0.00 2.01 0.00 0.00 34.83 34.50 1gh8 s MET 54 CO 0.18 -0.78 -0.01 0.14 -0.01 0.00 0.00 175.02 174.54 1gh8 s VAL 55 N -3.09 0.09 -0.60 -6.03 -7.23 -0.22 0.53 120.40 103.86 1gh8 s VAL 55 Ca 0.55 -0.14 -0.20 0.00 -1.81 0.00 0.00 61.98 60.38 1gh8 s VAL 55 Cb -0.11 -0.10 0.09 0.00 0.56 0.00 0.00 36.38 36.82 1gh8 s VAL 55 CO 0.47 -0.03 0.76 -0.69 -0.31 0.00 0.00 175.10 175.30 1gh8 s VAL 56 N -0.17 4.70 -0.01 1.32 1.01 -0.85 -2.08 120.40 124.32 1gh8 s VAL 56 Ca -0.01 -0.81 0.04 0.00 0.00 0.00 0.00 61.98 61.20 1gh8 s VAL 56 Cb -0.01 -4.53 -0.01 0.00 0.00 0.00 0.00 36.38 31.83 1gh8 s VAL 56 CO -0.00 -1.19 -0.13 0.68 0.00 0.00 0.00 175.10 174.46 1gh8 s VAL 57 N 3.02 1.02 0.04 2.92 -7.23 0.21 -4.20 120.40 116.17 1gh8 s VAL 57 Ca 0.14 -0.57 0.00 0.00 -1.81 0.00 0.00 61.98 59.74 1gh8 s VAL 57 Cb -0.22 -0.85 0.00 0.00 0.56 0.00 0.00 36.38 35.87 1gh8 s VAL 57 CO 0.08 0.27 0.00 0.61 -0.31 0.00 0.00 175.10 175.74 1gh8 n GLY 58 N 2.71 -1.58 0.01 2.32 0.00 -1.26 -0.67 105.19 106.72 1gh8 n GLY 58 Ca -0.14 0.62 0.14 0.00 0.00 0.00 0.00 46.02 46.64 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 -2.80 0.10 0.00 1.61 2.03 -1.26 -4.76 116.55 111.46 1gh8 n ASP 59 Ca 0.00 0.06 0.00 0.00 0.52 0.00 0.00 54.79 55.37 1gh8 n ASP 59 Cb 0.00 -0.31 0.00 0.00 -0.72 0.00 0.00 41.12 40.09 1gh8 n ASP 59 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1gh8 n ALA 60 N -1.35 0.00 -3.00 -1.67 0.00 -1.26 -5.11 120.51 108.12 1gh8 n ALA 60 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1gh8 n ALA 60 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.74 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 -0.02 0.00 0.28 -1.26 -5.01 120.64 114.64 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 -0.20 0.00 -1.84 0.00 -1.26 -3.74 105.19 98.16 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 0.39 -0.98 0.00 -0.02 0.00 -1.26 -2.19 105.19 101.12 1gh8 n GLY 63 Ca 0.01 -0.05 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 -1.48 0.33 0.21 2.61 -2.24 -1.25 -2.82 114.28 109.65 1gh8 n THR 64 Ca 0.04 0.08 0.18 0.00 -2.27 0.00 0.00 64.05 62.08 1gh8 n THR 64 Cb 0.17 -0.72 0.82 0.00 -2.10 0.00 0.00 70.33 68.50 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 -0.35 -0.78 4.11 -1.77 0.05 114.58 115.84 1gh8 h GLU 65 Ca 0.00 0.00 0.10 0.00 0.07 0.00 0.00 59.36 59.53 1gh8 h GLU 65 Cb 0.22 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1gh8 h GLU 65 CO 0.00 0.00 0.28 0.00 0.07 0.00 0.00 179.01 179.36 1gh8 h ALA 66 N 1.57 2.22 0.73 1.06 0.00 -1.81 -1.64 119.26 121.39 1gh8 h ALA 66 Ca 0.10 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1gh8 h ALA 66 Cb 0.71 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.53 1gh8 h ALA 66 CO -0.00 -0.46 -0.35 0.00 0.00 0.00 0.00 179.25 178.44 1gh8 h ALA 67 N 1.77 -0.98 -0.39 0.00 0.00 -1.26 0.14 119.26 118.53 1gh8 h ALA 67 Ca 0.17 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.87 1gh8 h ALA 67 Cb 0.72 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1gh8 h ALA 67 CO -0.00 -1.03 0.26 0.93 0.00 0.00 0.00 179.25 179.41 1gh8 h GLU 68 N -1.04 0.47 0.13 0.00 5.08 -1.56 -1.11 114.58 116.55 1gh8 h GLU 68 Ca -0.10 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 1gh8 h GLU 68 Cb 0.77 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1gh8 h GLU 68 CO 0.17 0.31 -0.06 1.49 -1.00 0.00 0.00 179.01 179.91 1gh8 h GLU 69 N 0.48 -0.17 0.00 2.33 4.81 -0.86 -1.70 114.58 119.47 1gh8 h GLU 69 Ca 0.15 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 1gh8 h GLU 69 Cb 0.02 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.44 1gh8 h GLU 69 CO -0.03 -0.03 0.00 1.03 -0.73 0.00 0.00 179.01 179.24 1gh8 h SER 70 N -0.27 0.00 0.67 1.04 0.87 -0.10 -1.18 113.55 114.57 1gh8 h SER 70 Ca -0.02 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.40 1gh8 h SER 70 Cb 0.21 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.16 1gh8 h SER 70 CO 0.03 0.00 -0.66 -0.07 -0.53 0.00 0.00 176.83 175.60 1gh8 h LEU 71 N 0.00 0.00 -0.68 2.23 -0.00 -0.29 0.66 115.31 117.23 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 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.82 1gh8 h LEU 71 CO 0.00 0.66 0.00 -0.24 -0.00 0.00 0.00 178.44 178.86 1gh8 n SER 72 N -3.75 0.37 -1.03 -0.43 2.88 -0.45 -2.83 113.62 108.38 1gh8 n SER 72 Ca -0.01 0.63 -0.02 0.00 -1.33 0.00 0.00 58.87 58.15 1gh8 n SER 72 Cb 0.65 -0.70 -0.02 0.00 -0.75 0.00 0.00 64.21 63.39 1gh8 n SER 72 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1gh8 n GLY 73 N -0.80 0.73 0.00 0.46 0.00 -1.03 -5.13 105.19 99.43 1gh8 n GLY 73 Ca 0.01 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 0.16 0.00 -1.53 -0.61 3.06 0.23 -4.76 119.36 115.91 1gh8 n ILE 74 Ca -0.10 0.00 -0.26 0.00 -2.50 0.00 0.00 62.75 59.89 1gh8 n ILE 74 Cb 0.82 -1.32 -0.12 0.00 0.54 0.00 0.00 39.64 39.56 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 -0.33 0.41 -0.00 9.51 -0.58 -1.26 -4.75 120.64 123.64 1gh8 n GLU 75 Ca 0.00 -0.28 0.12 0.00 -0.42 0.00 0.00 57.16 56.58 1gh8 n GLU 75 Cb 0.00 -2.51 0.55 0.00 -0.57 0.00 0.00 31.44 28.91 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 16.89 0.37 0.94 0.62 0.00 -1.97 -2.11 103.07 117.81 1gh8 h GLY 76 Ca -0.05 -0.11 -0.33 0.00 0.00 0.00 0.00 47.33 46.83 1gh8 h GLY 76 CO 1.28 0.08 -1.75 -0.24 0.00 0.00 0.00 176.54 175.91 1gh8 h VAL 77 N 0.28 0.89 -3.26 4.60 3.04 -1.94 -3.41 116.25 116.45 1gh8 h VAL 77 Ca 0.21 -2.59 -0.75 0.00 -1.01 0.00 0.00 66.70 62.56 1gh8 h VAL 77 Cb 0.47 2.62 -0.23 0.00 -2.01 0.00 0.00 31.29 32.14 1gh8 h VAL 77 CO -0.05 0.80 0.42 -0.44 -1.01 0.00 0.00 177.57 177.29 1gh8 s SER 78 N -6.90 6.77 0.13 3.17 0.01 -0.79 -0.43 113.70 115.66 1gh8 s SER 78 Ca -0.14 -2.54 -0.30 0.00 1.31 0.00 0.00 55.95 54.28 1gh8 s SER 78 Cb 0.07 -2.28 -0.07 0.00 0.21 0.00 0.00 66.02 63.95 1gh8 s SER 78 CO 0.82 -0.73 1.10 0.21 0.41 0.00 0.00 173.24 175.06 1gh8 s ASN 79 N 2.63 7.25 -0.03 2.44 3.04 -0.93 -4.38 114.94 124.96 1gh8 s ASN 79 Ca 0.25 2.02 -0.03 0.00 0.04 0.00 0.00 52.86 55.14 1gh8 s ASN 79 Cb -0.08 -2.59 -0.04 0.00 -1.54 0.00 0.00 41.25 37.00 1gh8 s ASN 79 CO -0.09 -0.27 0.15 -0.63 -3.04 0.00 0.00 177.10 173.22 1gh8 s ILE 80 N 0.19 5.27 -1.36 -5.21 1.01 -1.26 -2.61 121.20 117.23 1gh8 s ILE 80 Ca 0.52 -0.15 -0.11 0.00 0.00 0.00 0.00 60.65 60.90 1gh8 s ILE 80 Cb -0.28 -3.42 0.11 0.00 0.01 0.00 0.00 42.46 38.88 1gh8 s ILE 80 CO 0.33 0.39 2.04 1.21 0.00 0.00 0.00 174.94 178.90 1gh8 n GLU 81 N 1.20 3.29 -0.97 2.79 4.07 0.17 -4.80 120.64 126.39 1gh8 n GLU 81 Ca -0.13 -3.12 -0.12 0.00 -0.06 0.00 0.00 57.16 53.73 1gh8 n GLU 81 Cb 0.53 -3.08 -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 4.08 2.90 -0.62 6.31 0.31 -1.26 -3.32 118.33 126.73 1gh8 n VAL 82 Ca 0.45 -1.48 0.00 0.00 -0.01 0.00 0.00 64.34 63.30 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 2.25 0.31 -3.02 2.52 -1.04 -1.26 -5.05 114.28 108.99 1gh8 n THR 83 Ca 0.38 -0.35 -0.32 0.00 -2.04 0.00 0.00 64.05 61.72 1gh8 n THR 83 Cb 0.84 0.96 -0.06 0.00 -1.82 0.00 0.00 70.33 70.25 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 -0.31 6.80 0.04 8.00 1.11 -1.19 -5.03 116.67 126.09 1gh8 s ASP 84 Ca 0.00 1.39 -0.12 0.00 0.18 0.00 0.00 52.55 54.00 1gh8 s ASP 84 Cb 0.00 -2.42 0.01 0.00 1.07 0.00 0.00 42.92 41.58 1gh8 s ASP 84 CO 0.00 -0.27 0.25 0.54 1.18 0.00 0.00 175.17 176.87 1gh8 s VAL 85 N -2.08 0.09 -0.43 -1.27 0.11 -1.26 -2.53 120.40 113.04 1gh8 s VAL 85 Ca 0.56 -0.77 0.05 0.00 -2.93 0.00 0.00 61.98 58.89 1gh8 s VAL 85 Cb -0.10 -0.90 0.17 0.00 -1.53 0.00 0.00 36.38 34.02 1gh8 s VAL 85 CO 0.17 -0.43 0.49 -0.13 -3.33 0.00 0.00 175.10 171.88 1gh8 s ARG 86 N -2.49 0.85 -1.14 1.54 0.52 0.30 -4.88 118.95 113.65 1gh8 s ARG 86 Ca -0.06 -1.18 -0.21 0.00 -0.52 0.00 0.00 55.73 53.77 1gh8 s ARG 86 Cb -0.01 -0.63 0.06 0.00 0.52 0.00 0.00 34.95 34.89 1gh8 s ARG 86 CO -0.03 -1.28 1.56 1.03 0.02 0.00 0.00 175.30 176.59 1gh8 s ARG 87 N 0.97 3.77 -0.76 3.54 0.52 -1.26 -0.40 118.95 125.33 1gh8 s ARG 87 Ca 0.24 -1.53 -0.24 0.00 -0.52 0.00 0.00 55.73 53.68 1gh8 s ARG 87 Cb -0.05 -5.41 0.06 0.00 0.52 0.00 0.00 34.95 30.06 1gh8 s ARG 87 CO -0.08 -2.21 1.17 -0.51 0.02 0.00 0.00 175.30 173.69 1gh8 s LEU 88 N 4.52 3.80 0.00 2.53 1.43 -0.89 -4.91 118.68 125.17 1gh8 s LEU 88 Ca 0.49 -0.89 0.27 0.00 -1.03 0.00 0.00 54.13 52.97 1gh8 s LEU 88 Cb 0.01 -2.50 0.80 0.00 0.03 0.00 0.00 46.19 44.54 1gh8 s LEU 88 CO -0.02 -1.59 1.61 0.23 0.23 0.00 0.00 176.35 176.80