#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 0.72 3.94 3.17 0.00 0.46 -4.34 105.19 109.14 1gh8 n GLY 2 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 6.30 -0.32 1.61 1.11 0.32 -4.65 116.67 121.04 1gh8 s ASP 3 Ca 0.00 0.45 -0.13 0.00 0.18 0.00 0.00 52.55 53.05 1gh8 s ASP 3 Cb 0.00 -2.03 -0.02 0.00 1.07 0.00 0.00 42.92 41.93 1gh8 s ASP 3 CO 0.00 -0.28 0.26 -0.69 1.18 0.00 0.00 175.17 175.64 1gh8 s VAL 4 N -2.29 5.26 -0.25 -1.27 1.01 0.10 -2.24 120.40 120.71 1gh8 s VAL 4 Ca 0.40 -0.04 -0.08 0.00 0.00 0.00 0.00 61.98 62.26 1gh8 s VAL 4 Cb -0.10 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 1gh8 s VAL 4 CO 0.36 0.03 0.08 -0.69 0.00 0.00 0.00 175.10 174.88 1gh8 s VAL 5 N 1.81 4.45 0.30 2.92 1.01 0.45 -0.86 120.40 130.49 1gh8 s VAL 5 Ca 0.08 -0.13 -0.02 0.00 0.00 0.00 0.00 61.98 61.92 1gh8 s VAL 5 Cb -0.17 -3.08 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 1gh8 s VAL 5 CO 0.11 0.33 0.52 0.00 0.00 0.00 0.00 175.10 176.06 1gh8 s ALA 6 N 1.58 3.70 -0.04 5.51 0.00 -0.83 0.14 121.76 131.83 1gh8 s ALA 6 Ca 0.06 -0.78 -0.01 0.00 0.00 0.00 0.00 51.96 51.24 1gh8 s ALA 6 Cb -0.15 -2.15 0.03 0.00 0.00 0.00 0.00 23.12 20.84 1gh8 s ALA 6 CO 0.04 0.15 0.02 0.99 0.00 0.00 0.00 175.76 176.96 1gh8 s THR 7 N -2.16 0.11 -0.27 0.00 2.01 -0.41 -0.79 115.64 114.13 1gh8 s THR 7 Ca 0.41 0.20 0.03 0.00 0.31 0.00 0.00 61.69 62.64 1gh8 s THR 7 Cb -0.10 -0.26 0.07 0.00 0.01 0.00 0.00 72.50 72.21 1gh8 s THR 7 CO 0.33 0.17 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.72 1gh8 s ILE 8 N 1.50 2.13 -0.70 1.82 -1.09 -0.81 -2.87 121.20 121.17 1gh8 s ILE 8 Ca -0.03 -1.72 -0.17 0.00 -2.23 0.00 0.00 60.65 56.50 1gh8 s ILE 8 Cb -0.13 -2.30 0.15 0.00 -1.58 0.00 0.00 42.46 38.60 1gh8 s ILE 8 CO -0.03 -0.13 0.76 -0.54 -1.23 0.00 0.00 174.94 173.76 1gh8 s LYS 9 N 1.10 3.28 -0.04 2.79 -0.14 -1.21 -0.32 119.74 125.19 1gh8 s LYS 9 Ca -0.05 -1.79 -0.16 0.00 -1.36 0.00 0.00 55.97 52.61 1gh8 s LYS 9 Cb -0.20 -4.42 -0.05 0.00 -1.68 0.00 0.00 37.83 31.48 1gh8 s LYS 9 CO -0.06 -1.47 0.44 0.14 -0.76 0.00 0.00 175.35 173.64 1gh8 s VAL 10 N 1.78 5.08 -0.10 3.17 -7.23 -0.59 0.19 120.40 122.70 1gh8 s VAL 10 Ca 0.15 0.89 -0.05 0.00 -1.81 0.00 0.00 61.98 61.17 1gh8 s VAL 10 Cb -0.18 -3.76 0.05 0.00 0.56 0.00 0.00 36.38 33.05 1gh8 s VAL 10 CO -0.01 0.48 0.22 0.00 -0.31 0.00 0.00 175.10 175.48 1gh8 s MET 11 N -0.40 0.16 -0.14 4.82 0.23 -1.11 -0.45 119.30 122.41 1gh8 s MET 11 Ca 0.24 0.55 -0.29 0.00 -1.03 0.00 0.00 55.69 55.16 1gh8 s MET 11 Cb -0.16 -0.13 -0.02 0.00 -1.53 0.00 0.00 34.83 32.99 1gh8 s MET 11 CO 0.12 -0.20 1.35 -2.14 -2.03 0.00 0.00 175.02 172.12 1gh8 s PRO 12 N 1.58 4.22 0.47 3.16 0.02 -1.26 -1.96 135.00 141.23 1gh8 s PRO 12 Ca -0.06 1.78 0.17 0.00 0.02 0.00 0.00 61.00 62.91 1gh8 s PRO 12 Cb -0.11 -3.81 1.15 0.00 0.02 0.00 0.00 34.50 31.75 1gh8 s PRO 12 CO -0.08 -0.73 2.02 0.93 -0.33 0.00 0.00 177.00 178.81 1gh8 h GLU 13 N 8.47 0.24 -7.18 5.54 4.39 -1.05 -3.43 114.58 121.56 1gh8 h GLU 13 Ca -0.29 -0.01 -0.47 0.00 0.34 0.00 0.00 59.36 58.92 1gh8 h GLU 13 Cb 1.12 -0.06 0.02 0.00 -0.10 0.00 0.00 28.75 29.74 1gh8 h GLU 13 CO 0.96 0.16 0.37 -1.54 -1.16 0.00 0.00 179.01 177.81 1gh8 s SER 14 N -6.40 6.44 0.00 1.42 1.04 -1.26 -4.92 113.70 110.02 1gh8 s SER 14 Ca -0.07 1.65 0.14 0.00 0.48 0.00 0.00 55.95 58.15 1gh8 s SER 14 Cb 0.19 -2.52 0.79 0.00 0.10 0.00 0.00 66.02 64.58 1gh8 s SER 14 CO 0.73 -0.71 1.30 -0.81 0.98 0.00 0.00 173.24 174.73 1gh8 n PRO 15 N -1.59 0.35 -1.09 4.02 -0.04 -1.26 -3.18 135.00 132.21 1gh8 n PRO 15 Ca 0.07 0.06 -0.21 0.00 -0.04 0.00 0.00 63.50 63.38 1gh8 n PRO 15 Cb 0.54 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.52 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 -1.10 6.60 -4.37 3.54 9.92 -1.26 -4.88 116.55 125.00 1gh8 n ASP 16 Ca 0.09 -3.18 -0.26 0.00 -0.53 0.00 0.00 54.79 50.92 1gh8 n ASP 16 Cb 0.07 -1.09 -0.09 0.00 -0.64 0.00 0.00 41.12 39.37 1gh8 n ASP 16 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1gh8 n VAL 17 N 0.35 0.94 -1.97 2.53 0.31 -1.19 -4.86 118.33 114.43 1gh8 n VAL 17 Ca 0.38 -0.95 -0.36 0.00 -0.01 0.00 0.00 64.34 63.40 1gh8 n VAL 17 Cb 0.58 -2.10 -0.03 0.00 -0.91 0.00 0.00 33.84 31.37 1gh8 n VAL 17 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1gh8 s ASP 18 N 7.22 5.11 0.07 4.52 1.11 -1.26 -4.84 116.67 128.60 1gh8 s ASP 18 Ca 0.73 0.31 -0.25 0.00 0.18 0.00 0.00 52.55 53.51 1gh8 s ASP 18 Cb 0.01 -2.53 -0.16 0.00 1.07 0.00 0.00 42.92 41.31 1gh8 s ASP 18 CO 0.18 -2.52 1.64 0.25 1.18 0.00 0.00 175.17 175.90 1gh8 h LEU 19 N 17.15 -0.14 -0.64 1.23 7.12 -1.92 0.34 115.31 138.45 1gh8 h LEU 19 Ca -0.21 -0.06 -0.12 0.00 0.13 0.00 0.00 57.88 57.62 1gh8 h LEU 19 Cb 1.15 0.04 -0.01 0.00 -0.53 0.00 0.00 40.66 41.31 1gh8 h LEU 19 CO 1.21 -0.03 -0.24 -0.08 -0.13 0.00 0.00 178.44 179.16 1gh8 h GLU 20 N -0.25 0.81 -0.28 1.25 4.81 -2.00 0.48 114.58 119.40 1gh8 h GLU 20 Ca -0.02 -0.34 -0.16 0.00 -0.13 0.00 0.00 59.36 58.71 1gh8 h GLU 20 Cb 0.20 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.54 1gh8 h GLU 20 CO 0.03 0.97 -0.48 0.00 -0.73 0.00 0.00 179.01 178.80 1gh8 h ALA 21 N 1.03 0.62 -0.01 2.92 0.00 -1.94 -2.81 119.26 119.06 1gh8 h ALA 21 Ca 0.09 -0.48 -0.07 0.00 0.00 0.00 0.00 54.91 54.45 1gh8 h ALA 21 Cb 0.77 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1gh8 h ALA 21 CO 0.06 0.68 -0.34 1.25 0.00 0.00 0.00 179.25 180.90 1gh8 h LEU 22 N 0.61 0.02 -0.56 0.00 6.46 0.02 -2.69 115.31 119.16 1gh8 h LEU 22 Ca 0.03 -0.00 0.01 0.00 -0.12 0.00 0.00 57.88 57.80 1gh8 h LEU 22 Cb 1.05 -0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.94 1gh8 h LEU 22 CO 0.10 0.35 0.36 0.11 -0.62 0.00 0.00 178.44 178.74 1gh8 h LYS 23 N 0.01 0.70 -0.51 1.25 1.57 -0.65 0.17 116.57 119.12 1gh8 h LYS 23 Ca -0.00 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.66 1gh8 h LYS 23 Cb 0.60 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 1gh8 h LYS 23 CO 0.04 0.46 0.02 0.87 -0.57 0.00 0.00 179.45 180.28 1gh8 h LYS 24 N 0.72 0.89 -0.17 3.15 1.57 -1.43 -2.70 116.57 118.60 1gh8 h LYS 24 Ca 0.21 -0.27 -0.06 0.00 -1.87 0.00 0.00 60.65 58.67 1gh8 h LYS 24 Cb -0.05 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 1gh8 h LYS 24 CO -0.06 0.90 -0.14 0.93 -0.57 0.00 0.00 179.45 180.51 1gh8 h GLU 25 N 0.75 0.28 -0.45 3.15 4.39 -1.11 -2.85 114.58 118.75 1gh8 h GLU 25 Ca 0.15 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.76 1gh8 h GLU 25 Cb 0.49 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.08 1gh8 h GLU 25 CO 0.02 0.43 0.22 0.82 -1.16 0.00 0.00 179.01 179.34 1gh8 h ILE 26 N 0.26 1.18 -0.27 3.13 5.03 -0.35 -1.52 117.51 124.96 1gh8 h ILE 26 Ca 0.05 -0.48 -0.04 0.00 -0.12 0.00 0.00 64.86 64.27 1gh8 h ILE 26 Cb 0.41 0.68 -0.02 0.00 -3.03 0.00 0.00 36.82 34.87 1gh8 h ILE 26 CO 0.02 0.19 -0.01 1.56 -0.68 0.00 0.00 178.15 179.24 1gh8 h GLN 27 N 0.58 0.41 0.00 2.37 1.08 -1.34 -1.60 115.11 116.61 1gh8 h GLN 27 Ca 0.15 -0.08 -0.05 0.00 -1.45 0.00 0.00 58.65 57.23 1gh8 h GLN 27 Cb 0.10 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.46 1gh8 h GLN 27 CO -0.02 0.44 -0.23 0.93 -0.95 0.00 0.00 178.83 179.00 1gh8 h GLU 28 N 0.40 0.00 0.00 1.46 5.08 -1.34 -3.04 114.58 117.14 1gh8 h GLU 28 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1gh8 h GLU 28 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1gh8 h GLU 28 CO 0.01 0.23 -0.73 0.07 -1.00 0.00 0.00 179.01 177.59 1gh8 h ARG 29 N 0.00 0.00 -6.77 2.33 0.11 -0.43 -3.47 114.38 106.15 1gh8 h ARG 29 Ca -0.00 0.00 -0.55 0.00 0.10 0.00 0.00 59.98 59.53 1gh8 h ARG 29 Cb 0.90 0.00 0.09 0.00 1.11 0.00 0.00 29.97 32.07 1gh8 h ARG 29 CO 0.03 0.00 0.74 -0.89 0.10 0.00 0.00 179.97 179.95 1gh8 n ILE 30 N -2.20 1.35 -1.63 0.08 2.08 -0.68 -4.65 119.36 113.70 1gh8 n ILE 30 Ca 0.03 -0.34 -0.46 0.00 0.56 0.00 0.00 62.75 62.54 1gh8 n ILE 30 Cb 0.46 -1.80 -0.04 0.00 -0.75 0.00 0.00 39.64 37.51 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 1.55 2.17 0.00 0.38 -0.04 -1.26 -4.79 135.00 133.01 1gh8 n PRO 31 Ca 0.07 0.74 0.00 0.00 -0.04 0.00 0.00 63.50 64.28 1gh8 n PRO 31 Cb 0.36 -2.84 0.00 0.00 -0.04 0.00 0.00 33.50 30.98 1gh8 n PRO 31 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1gh8 n GLU 32 N 7.51 0.00 0.09 0.54 2.13 -1.26 -2.00 120.64 127.65 1gh8 n GLU 32 Ca 0.26 0.00 -0.19 0.00 0.66 0.00 0.00 57.16 57.89 1gh8 n GLU 32 Cb 0.35 -1.47 -0.15 0.00 0.27 0.00 0.00 31.44 30.44 1gh8 n GLU 32 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 1gh8 h GLY 33 N 0.00 0.39 0.00 8.31 0.00 -1.78 -3.48 103.07 106.50 1gh8 h GLY 33 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 47.33 46.34 1gh8 h GLY 33 CO 0.00 0.87 0.00 2.41 0.00 0.00 0.00 176.54 179.82 1gh8 n THR 34 N -3.55 0.00 -4.24 4.70 -1.04 -0.85 -4.70 114.28 104.60 1gh8 n THR 34 Ca -0.16 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.72 1gh8 n THR 34 Cb 1.06 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 69.47 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 3.78 1.21 0.81 -2.82 2.02 -1.26 -4.87 118.70 117.56 1gh8 s GLU 35 Ca 0.00 -1.62 -0.14 0.00 0.02 0.00 0.00 54.97 53.23 1gh8 s GLU 35 Cb 0.00 -0.06 0.19 0.00 0.10 0.00 0.00 34.13 34.37 1gh8 s GLU 35 CO 0.00 -0.27 0.90 1.47 0.02 0.00 0.00 175.26 177.38 1gh8 n LEU 36 N -0.30 0.00 0.00 1.80 -0.00 -1.26 -2.46 117.00 114.78 1gh8 n LEU 36 Ca -0.02 -0.97 0.00 0.00 -0.00 0.00 0.00 56.01 55.01 1gh8 n LEU 36 Cb 0.65 -0.75 0.00 0.00 -0.00 0.00 0.00 43.42 43.32 1gh8 n LEU 36 CO 0.34 -1.51 0.00 1.57 -0.00 0.00 0.00 177.39 177.79 1gh8 n HIS 37 N -3.77 0.00 -3.64 1.47 -0.00 0.25 -3.27 115.22 106.26 1gh8 n HIS 37 Ca 0.12 0.00 -0.06 0.00 -0.00 0.00 0.00 57.72 57.78 1gh8 n HIS 37 Cb 0.43 0.13 -0.07 0.00 -0.00 0.00 0.00 29.99 30.48 1gh8 n HIS 37 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 1gh8 s LYS 38 N -0.44 0.66 0.32 1.57 -0.14 -1.20 -4.96 119.74 115.55 1gh8 s LYS 38 Ca 0.00 1.17 -0.00 0.00 -1.36 0.00 0.00 55.97 55.77 1gh8 s LYS 38 Cb 0.00 0.17 -0.04 0.00 -1.68 0.00 0.00 37.83 36.29 1gh8 s LYS 38 CO 0.00 -0.14 0.53 0.42 -0.76 0.00 0.00 175.35 175.39 1gh8 s ILE 39 N 1.68 5.11 -0.15 2.17 1.01 -1.25 -1.63 121.20 128.13 1gh8 s ILE 39 Ca -0.10 -0.38 0.00 0.00 0.00 0.00 0.00 60.65 60.18 1gh8 s ILE 39 Cb -0.05 -3.83 0.03 0.00 0.01 0.00 0.00 42.46 38.62 1gh8 s ILE 39 CO -0.19 -0.47 -0.11 -0.62 0.00 0.00 0.00 174.94 173.55 1gh8 s ASP 40 N -3.79 2.65 -1.34 3.58 2.15 -0.43 -4.86 116.67 114.63 1gh8 s ASP 40 Ca 0.40 -0.51 -0.12 0.00 0.43 0.00 0.00 52.55 52.76 1gh8 s ASP 40 Cb -0.10 -1.06 0.12 0.00 -0.30 0.00 0.00 42.92 41.58 1gh8 s ASP 40 CO 0.34 -0.10 1.96 -1.84 -0.17 0.00 0.00 175.17 175.36 1gh8 n GLU 41 N 4.82 3.32 -3.94 4.34 0.28 -1.26 -0.67 120.64 127.53 1gh8 n GLU 41 Ca -0.15 -3.22 -0.31 0.00 -0.16 0.00 0.00 57.16 53.33 1gh8 n GLU 41 Cb 0.49 -3.09 -0.04 0.00 1.43 0.00 0.00 31.44 30.23 1gh8 n GLU 41 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 1gh8 s GLU 42 N 1.63 3.37 0.37 3.44 8.01 0.04 -4.92 118.70 130.64 1gh8 s GLU 42 Ca 0.43 -0.46 -0.02 0.00 0.01 0.00 0.00 54.97 54.93 1gh8 s GLU 42 Cb 0.10 -3.01 -0.04 0.00 -4.31 0.00 0.00 34.13 26.88 1gh8 s GLU 42 CO -0.02 0.61 0.62 -1.25 0.01 0.00 0.00 175.26 175.22 1gh8 s PRO 43 N -2.43 3.53 0.00 0.39 0.04 -1.26 0.20 135.00 135.47 1gh8 s PRO 43 Ca 0.33 -0.11 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 0.26 0.06 0.00 -0.89 0.04 0.00 0.00 177.00 176.47 1gh8 n ILE 44 N -1.74 0.00 0.00 0.56 2.08 0.31 -4.71 119.36 115.86 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 0.55 -0.18 0.00 0.00 -0.75 0.00 0.00 39.64 39.26 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 -1.67 0.00 0.09 -1.39 0.00 -1.15 -4.89 120.51 111.50 1gh8 n ALA 45 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1gh8 n ALA 45 Cb 0.00 0.00 0.15 0.00 0.00 0.00 0.00 19.45 19.60 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 0.00 0.29 0.00 0.00 -1.00 -2.02 -3.38 116.94 110.82 1gh8 h PHE 46 Ca 0.00 -0.10 0.00 0.00 2.81 0.00 0.00 57.97 60.68 1gh8 h PHE 46 Cb 0.00 -0.06 0.00 0.00 3.61 0.00 0.00 35.95 39.50 1gh8 h PHE 46 CO 0.00 0.73 0.00 0.41 -1.61 0.00 0.00 178.31 177.84 1gh8 n GLY 47 N 0.15 -0.47 3.45 -1.45 0.00 -1.26 -5.06 105.19 100.54 1gh8 n GLY 47 Ca -0.02 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.56 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 4.76 -0.16 0.99 1.43 -1.26 -4.91 118.68 119.53 1gh8 s LEU 48 Ca 0.00 -0.93 -0.17 0.00 -1.03 0.00 0.00 54.13 51.99 1gh8 s LEU 48 Cb 0.00 -2.48 -0.04 0.00 0.03 0.00 0.00 46.19 43.70 1gh8 s LEU 48 CO 0.00 -1.13 0.45 -0.69 0.23 0.00 0.00 176.35 175.21 1gh8 s VAL 49 N 3.23 5.18 0.31 -1.59 1.01 -1.26 -0.53 120.40 126.75 1gh8 s VAL 49 Ca 0.19 0.87 0.01 0.00 0.00 0.00 0.00 61.98 63.04 1gh8 s VAL 49 Cb -0.18 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.37 1gh8 s VAL 49 CO 0.12 0.28 0.51 0.00 0.00 0.00 0.00 175.10 176.00 1gh8 s ALA 50 N 1.01 3.73 -0.19 5.51 0.00 0.52 -4.71 121.76 127.64 1gh8 s ALA 50 Ca 0.23 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.28 1gh8 s ALA 50 Cb -0.15 -2.07 0.02 0.00 0.00 0.00 0.00 23.12 20.92 1gh8 s ALA 50 CO 0.09 0.08 -0.17 -0.51 0.00 0.00 0.00 175.76 175.24 1gh8 s LEU 51 N -4.12 2.30 -0.92 0.00 1.43 0.40 -0.78 118.68 116.99 1gh8 s LEU 51 Ca 0.39 -0.65 -0.19 0.00 -1.03 0.00 0.00 54.13 52.66 1gh8 s LEU 51 Cb -0.10 -1.52 0.13 0.00 0.03 0.00 0.00 46.19 44.73 1gh8 s LEU 51 CO 0.34 -0.01 1.12 0.20 0.23 0.00 0.00 176.35 178.23 1gh8 s ASN 52 N 1.31 6.62 -0.58 2.29 0.02 0.16 -1.54 114.94 123.21 1gh8 s ASN 52 Ca 0.05 -2.02 -0.24 0.00 -1.02 0.00 0.00 52.86 49.63 1gh8 s ASN 52 Cb -0.13 -2.40 0.05 0.00 0.02 0.00 0.00 41.25 38.78 1gh8 s ASN 52 CO -0.11 -1.07 0.96 -0.69 0.02 0.00 0.00 177.10 176.20 1gh8 s VAL 53 N 2.72 4.35 0.55 1.60 1.01 0.56 -1.31 120.40 129.87 1gh8 s VAL 53 Ca 0.32 0.13 -0.07 0.00 0.00 0.00 0.00 61.98 62.36 1gh8 s VAL 53 Cb -0.05 -4.59 -0.03 0.00 0.00 0.00 0.00 36.38 31.71 1gh8 s VAL 53 CO -0.09 -1.22 0.89 -0.04 0.00 0.00 0.00 175.10 174.64 1gh8 s MET 54 N 4.04 3.47 0.00 2.72 -1.94 -0.65 -1.93 119.30 125.02 1gh8 s MET 54 Ca 0.29 0.37 0.00 0.00 -1.71 0.00 0.00 55.69 54.63 1gh8 s MET 54 Cb -0.13 -2.26 -0.00 0.00 2.01 0.00 0.00 34.83 34.45 1gh8 s MET 54 CO 0.17 -0.40 -0.01 0.14 -0.01 0.00 0.00 175.02 174.91 1gh8 s VAL 55 N -2.93 0.06 -0.59 -6.03 -7.23 0.03 0.84 120.40 104.55 1gh8 s VAL 55 Ca 0.51 -0.11 -0.20 0.00 -1.81 0.00 0.00 61.98 60.37 1gh8 s VAL 55 Cb -0.11 -0.07 0.08 0.00 0.56 0.00 0.00 36.38 36.84 1gh8 s VAL 55 CO 0.48 -0.03 0.78 -0.69 -0.31 0.00 0.00 175.10 175.32 1gh8 s VAL 56 N -0.15 4.66 -0.02 1.32 1.01 -1.03 -1.96 120.40 124.24 1gh8 s VAL 56 Ca -0.01 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.40 1gh8 s VAL 56 Cb -0.01 -4.50 -0.00 0.00 0.00 0.00 0.00 36.38 31.86 1gh8 s VAL 56 CO -0.00 -1.14 -0.11 0.68 0.00 0.00 0.00 175.10 174.53 1gh8 s VAL 57 N 3.15 0.94 0.03 2.92 -7.23 -0.04 -4.29 120.40 115.89 1gh8 s VAL 57 Ca 0.17 -0.47 0.00 0.00 -1.81 0.00 0.00 61.98 59.87 1gh8 s VAL 57 Cb -0.20 -0.82 0.00 0.00 0.56 0.00 0.00 36.38 35.92 1gh8 s VAL 57 CO 0.10 0.28 0.00 0.61 -0.31 0.00 0.00 175.10 175.78 1gh8 n GLY 58 N 3.09 -1.38 0.02 2.32 0.00 -1.26 -0.72 105.19 107.26 1gh8 n GLY 58 Ca -0.17 0.56 0.14 0.00 0.00 0.00 0.00 46.02 46.56 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 -2.97 0.12 -0.20 1.61 -0.08 -1.26 -4.78 116.55 109.00 1gh8 n ASP 59 Ca 0.00 0.05 0.00 0.00 -1.51 0.00 0.00 54.79 53.33 1gh8 n ASP 59 Cb 0.00 -0.29 0.00 0.00 2.34 0.00 0.00 41.12 43.17 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 -1.34 0.00 -3.00 -1.67 0.00 -1.26 -5.11 120.51 108.12 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 0.30 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.75 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 -5.00 120.64 114.65 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 0.00 0.00 1.43 0.00 0.00 31.44 32.87 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 -0.54 0.04 -1.84 0.00 -1.26 -3.70 105.19 97.89 1gh8 n GLY 62 Ca 0.00 -0.01 0.08 0.00 0.00 0.00 0.00 46.02 46.10 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 0.43 -1.09 0.00 -0.02 0.00 -1.26 -2.12 105.19 101.13 1gh8 n GLY 63 Ca 0.00 -0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.72 0.15 0.21 2.61 -2.24 -1.24 -2.40 114.28 109.64 1gh8 n THR 64 Ca 0.03 0.04 0.18 0.00 -2.27 0.00 0.00 64.05 62.03 1gh8 n THR 64 Cb 0.19 -0.70 0.82 0.00 -2.10 0.00 0.00 70.33 68.54 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 -0.48 -0.78 4.11 -1.75 0.34 114.58 116.03 1gh8 h GLU 65 Ca 0.00 0.00 0.11 0.00 0.07 0.00 0.00 59.36 59.54 1gh8 h GLU 65 Cb 0.08 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1gh8 h GLU 65 CO 0.00 0.00 0.33 0.00 0.07 0.00 0.00 179.01 179.41 1gh8 h ALA 66 N 1.55 2.25 0.62 1.06 0.00 -1.81 -1.21 119.26 121.72 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 0.74 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1gh8 h ALA 66 CO -0.00 -0.37 -0.31 0.00 0.00 0.00 0.00 179.25 178.57 1gh8 h ALA 67 N 1.76 -0.86 -0.63 0.00 0.00 -1.18 0.19 119.26 118.55 1gh8 h ALA 67 Ca 0.22 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1gh8 h ALA 67 Cb 0.69 0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 1gh8 h ALA 67 CO -0.03 -0.98 0.41 0.93 0.00 0.00 0.00 179.25 179.58 1gh8 h GLU 68 N -0.85 0.77 -0.10 0.00 4.39 -1.54 -1.32 114.58 115.93 1gh8 h GLU 68 Ca -0.08 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.57 1gh8 h GLU 68 Cb 0.66 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 29.13 1gh8 h GLU 68 CO 0.13 0.51 0.06 1.49 -1.16 0.00 0.00 179.01 180.04 1gh8 h GLU 69 N 0.80 0.13 0.00 2.33 4.22 -0.68 -1.68 114.58 119.71 1gh8 h GLU 69 Ca 0.24 -0.01 -0.01 0.00 0.08 0.00 0.00 59.36 59.66 1gh8 h GLU 69 Cb -0.01 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 1gh8 h GLU 69 CO -0.06 0.12 -0.05 1.03 -2.18 0.00 0.00 179.01 177.87 1gh8 h SER 70 N 0.11 0.00 0.81 1.04 0.87 0.01 -1.61 113.55 114.78 1gh8 h SER 70 Ca 0.04 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.50 1gh8 h SER 70 Cb 0.02 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.97 1gh8 h SER 70 CO -0.01 0.05 -0.48 -0.07 -0.53 0.00 0.00 176.83 175.80 1gh8 h LEU 71 N 0.00 0.00 -1.90 2.23 -0.00 -0.32 0.77 115.31 116.09 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 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.88 1gh8 h LEU 71 CO 0.01 0.48 0.00 -1.28 -0.00 0.00 0.00 178.44 177.65 1gh8 h SER 72 N 0.00 0.00 -0.11 -0.43 0.87 -0.92 -3.17 113.55 109.79 1gh8 h SER 72 Ca -0.00 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.38 1gh8 h SER 72 Cb 1.01 0.00 -0.25 0.00 -0.44 0.00 0.00 62.40 62.72 1gh8 h SER 72 CO 0.06 0.00 -0.62 0.61 -0.53 0.00 0.00 176.83 176.35 1gh8 n GLY 73 N -0.61 1.44 0.00 5.77 0.00 -0.99 -5.13 105.19 105.66 1gh8 n GLY 73 Ca -0.01 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.59 0.00 -1.51 -0.61 3.06 0.27 -4.78 119.36 115.19 1gh8 n ILE 74 Ca -0.10 0.00 -0.40 0.00 -2.50 0.00 0.00 62.75 59.75 1gh8 n ILE 74 Cb 0.86 -1.29 -0.08 0.00 0.54 0.00 0.00 39.64 39.67 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 -0.62 0.65 0.05 9.51 4.71 -1.26 -4.78 120.64 128.89 1gh8 n GLU 75 Ca 0.00 0.04 0.05 0.00 -0.01 0.00 0.00 57.16 57.24 1gh8 n GLU 75 Cb 0.00 -2.56 0.46 0.00 -1.01 0.00 0.00 31.44 28.33 1gh8 n GLU 75 CO 0.00 0.00 0.00 0.78 0.09 0.00 0.00 177.13 178.00 1gh8 h GLY 76 N 15.64 0.47 0.86 0.62 0.00 -1.99 -2.76 103.07 115.91 1gh8 h GLY 76 Ca -0.17 -0.18 -0.35 0.00 0.00 0.00 0.00 47.33 46.63 1gh8 h GLY 76 CO 1.23 0.17 -1.81 -2.08 0.00 0.00 0.00 176.54 174.06 1gh8 h VAL 77 N 0.45 0.86 -3.19 4.60 2.07 -1.95 -3.42 116.25 115.68 1gh8 h VAL 77 Ca 0.12 -2.50 -0.74 0.00 0.82 0.00 0.00 66.70 64.40 1gh8 h VAL 77 Cb -0.04 2.67 -0.22 0.00 -1.52 0.00 0.00 31.29 32.18 1gh8 h VAL 77 CO -0.03 0.86 0.38 -0.55 0.02 0.00 0.00 177.57 178.25 1gh8 s SER 78 N -7.14 6.66 0.19 0.57 0.15 -1.04 -0.34 113.70 112.74 1gh8 s SER 78 Ca -0.17 -2.33 -0.30 0.00 0.70 0.00 0.00 55.95 53.85 1gh8 s SER 78 Cb 0.06 -2.29 -0.08 0.00 -1.71 0.00 0.00 66.02 62.00 1gh8 s SER 78 CO 0.83 -0.81 1.05 0.21 1.20 0.00 0.00 173.24 175.72 1gh8 s ASN 79 N 2.86 7.37 0.01 5.45 3.04 -0.83 -4.32 114.94 128.52 1gh8 s ASN 79 Ca 0.23 2.04 -0.01 0.00 0.04 0.00 0.00 52.86 55.15 1gh8 s ASN 79 Cb -0.09 -2.60 -0.04 0.00 -1.54 0.00 0.00 41.25 36.97 1gh8 s ASN 79 CO -0.08 -0.12 0.16 -0.63 -3.04 0.00 0.00 177.10 173.38 1gh8 s ILE 80 N -0.46 5.19 -1.33 -5.21 1.01 -1.26 -2.74 121.20 116.40 1gh8 s ILE 80 Ca 0.47 -0.30 -0.12 0.00 0.00 0.00 0.00 60.65 60.70 1gh8 s ILE 80 Cb -0.28 -3.44 0.12 0.00 0.01 0.00 0.00 42.46 38.87 1gh8 s ILE 80 CO 0.34 0.28 1.94 1.21 0.00 0.00 0.00 174.94 178.71 1gh8 n GLU 81 N 0.85 3.33 -1.14 2.79 4.07 0.13 -4.83 120.64 125.84 1gh8 n GLU 81 Ca -0.10 -3.25 -0.24 0.00 -0.06 0.00 0.00 57.16 53.50 1gh8 n GLU 81 Cb 0.52 -3.09 -0.11 0.00 -0.06 0.00 0.00 31.44 28.71 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 4.22 3.60 -0.65 6.31 0.31 -1.26 -3.34 118.33 127.51 1gh8 n VAL 82 Ca 0.44 -1.99 0.00 0.00 -0.01 0.00 0.00 64.34 62.78 1gh8 n VAL 82 Cb 0.38 -2.28 0.00 0.00 -0.91 0.00 0.00 33.84 31.03 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 3.00 0.09 -3.05 2.52 -1.04 -1.26 -5.07 114.28 109.48 1gh8 n THR 83 Ca 0.59 -0.22 -0.39 0.00 -2.04 0.00 0.00 64.05 61.99 1gh8 n THR 83 Cb 0.60 1.43 -0.06 0.00 -1.82 0.00 0.00 70.33 70.48 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 -0.09 7.31 0.14 8.00 -1.08 -1.14 -5.03 116.67 124.79 1gh8 s ASP 84 Ca 0.00 1.56 -0.09 0.00 -0.52 0.00 0.00 52.55 53.49 1gh8 s ASP 84 Cb 0.00 -2.47 -0.00 0.00 -1.46 0.00 0.00 42.92 38.99 1gh8 s ASP 84 CO 0.00 0.22 0.27 0.54 0.52 0.00 0.00 175.17 176.72 1gh8 s VAL 85 N -1.15 0.08 -0.40 1.11 0.11 -1.26 -1.28 120.40 117.61 1gh8 s VAL 85 Ca 0.34 -1.29 0.04 0.00 -2.93 0.00 0.00 61.98 58.14 1gh8 s VAL 85 Cb -0.22 -1.69 0.16 0.00 -1.53 0.00 0.00 36.38 33.10 1gh8 s VAL 85 CO 0.24 -0.38 0.42 -0.13 -3.33 0.00 0.00 175.10 171.92 1gh8 s ARG 86 N -3.93 0.74 -1.25 1.54 0.52 0.38 -4.84 118.95 112.11 1gh8 s ARG 86 Ca 0.13 -1.07 -0.19 0.00 -0.52 0.00 0.00 55.73 54.09 1gh8 s ARG 86 Cb 0.04 -0.73 0.06 0.00 0.52 0.00 0.00 34.95 34.84 1gh8 s ARG 86 CO -0.03 -1.24 1.70 1.03 0.02 0.00 0.00 175.30 176.77 1gh8 s ARG 87 N 1.16 3.87 -1.00 3.54 3.00 -1.26 -0.41 118.95 127.84 1gh8 s ARG 87 Ca 0.21 -1.81 -0.21 0.00 0.00 0.00 0.00 55.73 53.92 1gh8 s ARG 87 Cb -0.10 -5.50 0.09 0.00 0.00 0.00 0.00 34.95 29.44 1gh8 s ARG 87 CO -0.05 -2.31 1.33 -0.51 0.00 0.00 0.00 175.30 173.76 1gh8 s LEU 88 N 4.59 4.22 0.00 2.53 1.43 -0.95 -4.99 118.68 125.50 1gh8 s LEU 88 Ca 0.53 -1.80 0.27 0.00 -1.03 0.00 0.00 54.13 52.10 1gh8 s LEU 88 Cb 0.03 -2.49 0.78 0.00 0.03 0.00 0.00 46.19 44.53 1gh8 s LEU 88 CO 0.05 -1.28 1.59 0.23 0.23 0.00 0.00 176.35 177.17