#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 0.41 3.73 3.17 0.00 0.20 -4.49 105.19 108.22 1gh8 n GLY 2 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 6.71 -0.58 1.61 1.01 -0.20 -4.80 116.67 120.42 1gh8 s ASP 3 Ca 0.00 0.84 -0.20 0.00 0.71 0.00 0.00 52.55 53.90 1gh8 s ASP 3 Cb 0.00 -2.29 0.08 0.00 1.01 0.00 0.00 42.92 41.72 1gh8 s ASP 3 CO 0.00 0.01 0.73 -0.69 0.21 0.00 0.00 175.17 175.44 1gh8 s VAL 4 N 0.55 4.74 -0.23 -1.27 1.01 -0.29 -1.84 120.40 123.07 1gh8 s VAL 4 Ca 0.26 -0.70 -0.08 0.00 0.00 0.00 0.00 61.98 61.47 1gh8 s VAL 4 Cb -0.15 -4.47 -0.03 0.00 0.00 0.00 0.00 36.38 31.72 1gh8 s VAL 4 CO 0.11 -1.09 0.08 -0.69 0.00 0.00 0.00 175.10 173.51 1gh8 s VAL 5 N 2.95 4.54 0.34 2.92 1.01 -0.37 -2.31 120.40 129.48 1gh8 s VAL 5 Ca 0.15 -0.10 0.04 0.00 0.00 0.00 0.00 61.98 62.07 1gh8 s VAL 5 Cb -0.21 -3.11 -0.02 0.00 0.00 0.00 0.00 36.38 33.05 1gh8 s VAL 5 CO 0.09 0.36 0.49 0.00 0.00 0.00 0.00 175.10 176.05 1gh8 s ALA 6 N 1.26 4.00 -0.04 5.51 0.00 -1.03 0.29 121.76 131.76 1gh8 s ALA 6 Ca 0.05 -1.26 -0.01 0.00 0.00 0.00 0.00 51.96 50.74 1gh8 s ALA 6 Cb -0.15 -1.84 0.03 0.00 0.00 0.00 0.00 23.12 21.17 1gh8 s ALA 6 CO 0.04 -0.04 0.05 0.99 0.00 0.00 0.00 175.76 176.80 1gh8 s THR 7 N -2.22 -0.06 -0.27 0.00 2.01 -1.03 -1.58 115.64 112.48 1gh8 s THR 7 Ca 0.42 0.34 0.02 0.00 0.31 0.00 0.00 61.69 62.79 1gh8 s THR 7 Cb -0.09 -0.15 0.07 0.00 0.01 0.00 0.00 72.50 72.33 1gh8 s THR 7 CO 0.33 0.16 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.73 1gh8 s ILE 8 N 1.82 1.95 -0.69 1.82 1.01 -1.03 -3.10 121.20 122.98 1gh8 s ILE 8 Ca 0.01 -1.65 -0.17 0.00 0.00 0.00 0.00 60.65 58.84 1gh8 s ILE 8 Cb -0.12 -2.20 0.15 0.00 0.01 0.00 0.00 42.46 40.30 1gh8 s ILE 8 CO -0.03 -0.19 0.72 -0.54 0.00 0.00 0.00 174.94 174.90 1gh8 s LYS 9 N 1.17 3.26 -0.02 2.79 -0.14 -1.22 -0.15 119.74 125.42 1gh8 s LYS 9 Ca -0.03 -1.79 -0.17 0.00 -1.36 0.00 0.00 55.97 52.61 1gh8 s LYS 9 Cb -0.19 -4.40 -0.05 0.00 -1.68 0.00 0.00 37.83 31.50 1gh8 s LYS 9 CO -0.07 -1.45 0.49 0.14 -0.76 0.00 0.00 175.35 173.70 1gh8 s VAL 10 N 1.71 5.00 -0.08 3.17 -7.23 -0.44 0.22 120.40 122.74 1gh8 s VAL 10 Ca 0.14 1.01 -0.03 0.00 -1.81 0.00 0.00 61.98 61.28 1gh8 s VAL 10 Cb -0.19 -3.81 0.05 0.00 0.56 0.00 0.00 36.38 32.98 1gh8 s VAL 10 CO -0.01 0.48 0.17 0.00 -0.31 0.00 0.00 175.10 175.43 1gh8 s MET 11 N -0.45 0.09 -0.00 4.82 0.23 -1.12 -0.50 119.30 122.36 1gh8 s MET 11 Ca 0.26 0.50 -0.30 0.00 -1.03 0.00 0.00 55.69 55.13 1gh8 s MET 11 Cb -0.17 -0.20 -0.06 0.00 -1.53 0.00 0.00 34.83 32.88 1gh8 s MET 11 CO 0.14 -0.23 1.45 -2.14 -2.03 0.00 0.00 175.02 172.21 1gh8 s PRO 12 N 1.76 4.26 0.46 3.16 0.02 -1.26 -1.80 135.00 141.60 1gh8 s PRO 12 Ca -0.03 2.03 0.14 0.00 0.02 0.00 0.00 61.00 63.15 1gh8 s PRO 12 Cb -0.12 -3.62 1.07 0.00 0.02 0.00 0.00 34.50 31.86 1gh8 s PRO 12 CO -0.06 -0.63 2.04 0.93 -0.33 0.00 0.00 177.00 178.95 1gh8 h GLU 13 N 8.05 0.31 -7.15 5.54 4.39 -1.06 -3.43 114.58 121.24 1gh8 h GLU 13 Ca -0.38 -0.02 -0.47 0.00 0.34 0.00 0.00 59.36 58.83 1gh8 h GLU 13 Cb 1.18 -0.07 0.03 0.00 -0.10 0.00 0.00 28.75 29.78 1gh8 h GLU 13 CO 0.91 0.20 0.37 -1.54 -1.16 0.00 0.00 179.01 177.80 1gh8 s SER 14 N -6.53 6.38 0.00 1.42 1.04 -1.26 -4.92 113.70 109.83 1gh8 s SER 14 Ca -0.07 1.73 0.13 0.00 0.48 0.00 0.00 55.95 58.22 1gh8 s SER 14 Cb 0.18 -2.53 0.70 0.00 0.10 0.00 0.00 66.02 64.47 1gh8 s SER 14 CO 0.73 -0.76 1.26 -0.81 0.98 0.00 0.00 173.24 174.64 1gh8 n PRO 15 N -1.44 0.28 -1.14 4.02 -0.04 -1.26 -3.10 135.00 132.31 1gh8 n PRO 15 Ca 0.08 0.09 -0.22 0.00 -0.04 0.00 0.00 63.50 63.41 1gh8 n PRO 15 Cb 0.53 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.50 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 -1.16 6.57 -4.09 3.54 8.00 -1.26 -4.87 116.55 123.28 1gh8 n ASP 16 Ca 0.08 -3.17 -0.33 0.00 0.71 0.00 0.00 54.79 52.08 1gh8 n ASP 16 Cb 0.07 -1.12 -0.09 0.00 -0.02 0.00 0.00 41.12 39.97 1gh8 n ASP 16 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1gh8 n VAL 17 N 0.44 1.07 -2.14 2.53 0.31 -1.18 -4.86 118.33 114.51 1gh8 n VAL 17 Ca 0.39 -1.04 -0.32 0.00 -0.01 0.00 0.00 64.34 63.36 1gh8 n VAL 17 Cb 0.57 -2.14 -0.04 0.00 -0.91 0.00 0.00 33.84 31.32 1gh8 n VAL 17 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 1gh8 s ASP 18 N 6.63 5.41 0.18 4.52 1.47 -1.26 -4.82 116.67 128.81 1gh8 s ASP 18 Ca 0.68 -0.53 -0.11 0.00 1.18 0.00 0.00 52.55 53.78 1gh8 s ASP 18 Cb 0.06 -2.55 0.09 0.00 -0.34 0.00 0.00 42.92 40.18 1gh8 s ASP 18 CO 0.19 -2.44 1.74 0.17 0.68 0.00 0.00 175.17 175.51 1gh8 h LEU 19 N 16.57 0.88 -0.60 2.11 8.10 -1.89 0.35 115.31 140.84 1gh8 h LEU 19 Ca 0.01 -0.17 -0.14 0.00 0.11 0.00 0.00 57.88 57.68 1gh8 h LEU 19 Cb 1.05 -0.23 -0.01 0.00 -0.44 0.00 0.00 40.66 41.03 1gh8 h LEU 19 CO 1.25 0.81 -0.44 -0.08 -4.11 0.00 0.00 178.44 175.87 1gh8 h GLU 20 N 0.90 0.61 -0.33 0.17 4.81 -1.99 0.29 114.58 119.04 1gh8 h GLU 20 Ca 0.21 -0.33 -0.14 0.00 -0.13 0.00 0.00 59.36 58.97 1gh8 h GLU 20 Cb 0.21 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 1gh8 h GLU 20 CO -0.02 0.93 -0.36 0.00 -0.73 0.00 0.00 179.01 178.84 1gh8 h ALA 21 N 1.02 0.75 0.00 2.92 0.00 -1.91 -2.39 119.26 119.65 1gh8 h ALA 21 Ca 0.03 -0.43 -0.05 0.00 0.00 0.00 0.00 54.91 54.46 1gh8 h ALA 21 Cb 0.96 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1gh8 h ALA 21 CO 0.09 0.66 -0.25 1.25 0.00 0.00 0.00 179.25 180.99 1gh8 h LEU 22 N 0.63 0.00 -0.45 0.00 6.46 0.20 -2.88 115.31 119.26 1gh8 h LEU 22 Ca 0.06 0.00 0.05 0.00 -0.12 0.00 0.00 57.88 57.87 1gh8 h LEU 22 Cb 0.89 0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 40.78 1gh8 h LEU 22 CO 0.08 0.25 0.17 0.11 -0.62 0.00 0.00 178.44 178.43 1gh8 h LYS 23 N 0.00 0.34 -0.57 1.25 6.56 0.11 0.45 116.57 124.72 1gh8 h LYS 23 Ca -0.00 -0.02 -0.11 0.00 -1.06 0.00 0.00 60.65 59.46 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 0.03 0.23 -0.07 0.87 -2.06 0.00 0.00 179.45 178.45 1gh8 h LYS 24 N 0.35 1.05 -0.25 3.15 1.57 -1.51 -2.35 116.57 118.58 1gh8 h LYS 24 Ca 0.21 -0.37 -0.07 0.00 -1.87 0.00 0.00 60.65 58.55 1gh8 h LYS 24 Cb 0.19 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1gh8 h LYS 24 CO -0.20 1.07 -0.14 0.93 -0.57 0.00 0.00 179.45 180.53 1gh8 h GLU 25 N 0.94 0.42 -0.75 3.15 5.08 -1.28 -2.30 114.58 119.83 1gh8 h GLU 25 Ca 0.15 -0.12 -0.04 0.00 -1.00 0.00 0.00 59.36 58.35 1gh8 h GLU 25 Cb 0.64 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 1gh8 h GLU 25 CO 0.04 0.56 0.32 0.82 -1.00 0.00 0.00 179.01 179.76 1gh8 h ILE 26 N 0.39 1.25 -0.78 3.13 2.04 0.24 -1.17 117.51 122.61 1gh8 h ILE 26 Ca 0.07 -0.75 0.02 0.00 1.00 0.00 0.00 64.86 65.21 1gh8 h ILE 26 Cb 0.49 0.32 -0.04 0.00 -0.74 0.00 0.00 36.82 36.85 1gh8 h ILE 26 CO 0.03 0.31 0.51 -0.61 0.00 0.00 0.00 178.15 178.38 1gh8 h GLN 27 N 1.08 0.99 0.00 2.37 -0.00 -0.90 -1.20 115.11 117.45 1gh8 h GLN 27 Ca 0.26 -0.06 -0.02 0.00 -0.00 0.00 0.00 58.65 58.83 1gh8 h GLN 27 Cb 0.17 -0.22 -0.00 0.00 0.00 0.00 0.00 27.48 27.43 1gh8 h GLN 27 CO -0.03 0.65 -0.07 0.93 0.00 0.00 0.00 178.83 180.31 1gh8 h GLU 28 N 1.02 0.00 0.00 1.69 5.08 -1.22 -3.12 114.58 118.02 1gh8 h GLU 28 Ca 0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 1gh8 h GLU 28 Cb -0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1gh8 h GLU 28 CO -0.08 0.07 -0.68 0.07 -1.00 0.00 0.00 179.01 177.38 1gh8 h ARG 29 N 0.00 0.00 -6.85 2.33 0.11 -0.44 -3.47 114.38 106.06 1gh8 h ARG 29 Ca -0.00 0.00 -0.54 0.00 0.10 0.00 0.00 59.98 59.54 1gh8 h ARG 29 Cb 0.86 0.00 0.10 0.00 1.11 0.00 0.00 29.97 32.03 1gh8 h ARG 29 CO 0.01 0.00 0.81 -0.89 0.10 0.00 0.00 179.97 180.00 1gh8 n ILE 30 N -2.19 1.50 -1.66 0.08 2.08 -0.53 -4.75 119.36 113.89 1gh8 n ILE 30 Ca 0.03 -0.37 -0.53 0.00 0.56 0.00 0.00 62.75 62.44 1gh8 n ILE 30 Cb 0.45 -1.94 -0.06 0.00 -0.75 0.00 0.00 39.64 37.35 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 1.32 1.45 0.00 0.38 -0.04 -1.26 -4.80 135.00 132.05 1gh8 n PRO 31 Ca 0.05 0.53 0.01 0.00 -0.04 0.00 0.00 63.50 64.04 1gh8 n PRO 31 Cb 0.37 -2.23 0.03 0.00 -0.04 0.00 0.00 33.50 31.63 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 4.34 0.02 -0.05 0.54 -0.58 -1.26 -3.15 120.64 120.50 1gh8 n GLU 32 Ca 0.22 0.18 -0.01 0.00 -0.42 0.00 0.00 57.16 57.12 1gh8 n GLU 32 Cb 0.20 -1.50 -0.00 0.00 -0.57 0.00 0.00 31.44 29.56 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 0.20 0.00 0.00 0.62 0.00 -1.80 -3.47 103.07 98.62 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 -4.28 0.00 -4.39 4.70 -1.04 -1.19 -4.83 114.28 103.25 1gh8 n THR 34 Ca -0.02 0.00 -0.20 0.00 -2.04 0.00 0.00 64.05 61.79 1gh8 n THR 34 Cb 0.07 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 3.87 1.60 0.41 -2.82 2.02 -1.26 -4.82 118.70 117.71 1gh8 s GLU 35 Ca 0.00 -1.90 -0.07 0.00 0.02 0.00 0.00 54.97 53.02 1gh8 s GLU 35 Cb 0.00 -0.47 0.10 0.00 0.10 0.00 0.00 34.13 33.86 1gh8 s GLU 35 CO 0.00 -0.32 0.45 1.47 0.02 0.00 0.00 175.26 176.89 1gh8 n LEU 36 N -0.62 0.00 0.00 1.80 -0.00 -1.26 -3.03 117.00 113.88 1gh8 n LEU 36 Ca -0.01 -0.49 0.00 0.00 -0.00 0.00 0.00 56.01 55.50 1gh8 n LEU 36 Cb 0.66 -0.38 0.00 0.00 -0.00 0.00 0.00 43.42 43.70 1gh8 n LEU 36 CO 0.38 -1.14 0.00 1.57 -0.00 0.00 0.00 177.39 178.20 1gh8 n HIS 37 N -3.03 0.00 -3.59 1.47 -0.00 0.20 -3.30 115.22 106.96 1gh8 n HIS 37 Ca 0.06 0.00 -0.03 0.00 -0.00 0.00 0.00 57.72 57.75 1gh8 n HIS 37 Cb 0.22 0.14 -0.06 0.00 -0.00 0.00 0.00 29.99 30.29 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 -0.52 0.49 0.28 1.57 2.47 -1.23 -4.98 119.74 117.82 1gh8 s LYS 38 Ca 0.00 0.99 -0.05 0.00 -1.56 0.00 0.00 55.97 55.35 1gh8 s LYS 38 Cb 0.00 0.33 -0.05 0.00 -1.46 0.00 0.00 37.83 36.65 1gh8 s LYS 38 CO 0.00 -0.13 0.54 0.42 0.16 0.00 0.00 175.35 176.35 1gh8 s ILE 39 N 1.97 5.03 -0.10 5.43 1.01 -1.25 -2.73 121.20 130.55 1gh8 s ILE 39 Ca -0.07 0.06 0.04 0.00 0.00 0.00 0.00 60.65 60.67 1gh8 s ILE 39 Cb -0.06 -3.73 0.00 0.00 0.01 0.00 0.00 42.46 38.69 1gh8 s ILE 39 CO -0.18 -0.30 -0.22 -0.62 0.00 0.00 0.00 174.94 173.62 1gh8 s ASP 40 N -3.11 2.91 -1.28 3.58 2.15 -0.70 -4.84 116.67 115.37 1gh8 s ASP 40 Ca 0.44 -0.53 -0.09 0.00 0.43 0.00 0.00 52.55 52.80 1gh8 s ASP 40 Cb -0.11 -1.33 0.17 0.00 -0.30 0.00 0.00 42.92 41.35 1gh8 s ASP 40 CO 0.29 0.13 1.88 -0.62 -0.17 0.00 0.00 175.17 176.69 1gh8 n GLU 41 N 3.65 3.67 -3.92 4.34 1.02 -1.26 -1.09 120.64 127.05 1gh8 n GLU 41 Ca -0.20 -3.55 -0.32 0.00 -0.02 0.00 0.00 57.16 53.08 1gh8 n GLU 41 Cb 0.53 -2.91 -0.04 0.00 -0.02 0.00 0.00 31.44 29.00 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 0.25 3.43 0.34 3.49 8.01 -0.36 -4.92 118.70 128.94 1gh8 s GLU 42 Ca 0.40 -0.39 -0.05 0.00 0.01 0.00 0.00 54.97 54.93 1gh8 s GLU 42 Cb 0.10 -3.06 -0.05 0.00 -4.31 0.00 0.00 34.13 26.81 1gh8 s GLU 42 CO 0.00 0.64 0.61 -1.25 0.01 0.00 0.00 175.26 175.28 1gh8 s PRO 43 N -2.25 3.62 0.00 0.39 0.04 -1.26 0.19 135.00 135.72 1gh8 s PRO 43 Ca 0.31 0.04 0.00 0.00 0.04 0.00 0.00 61.00 61.40 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 0.24 0.11 0.00 -0.89 0.04 0.00 0.00 177.00 176.50 1gh8 n ILE 44 N -1.29 0.00 0.00 0.56 2.08 0.27 -4.73 119.36 116.26 1gh8 n ILE 44 Ca -0.01 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.30 1gh8 n ILE 44 Cb 0.54 -0.27 0.00 0.00 -0.75 0.00 0.00 39.64 39.17 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 -1.50 0.00 0.16 -1.39 0.00 -1.13 -4.88 120.51 111.77 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 0.24 0.00 0.00 0.00 0.00 19.45 19.69 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 -0.11 0.00 0.00 0.00 -1.00 -2.03 -3.38 116.94 110.41 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 0.52 0.00 0.41 -1.61 0.00 0.00 178.31 177.63 1gh8 n GLY 47 N 0.21 0.19 3.45 -1.45 0.00 -1.26 -5.06 105.19 101.27 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 4.75 -0.14 0.99 1.43 -1.26 -4.92 118.68 119.52 1gh8 s LEU 48 Ca 0.00 -0.91 -0.18 0.00 -1.03 0.00 0.00 54.13 52.02 1gh8 s LEU 48 Cb 0.00 -2.50 -0.04 0.00 0.03 0.00 0.00 46.19 43.68 1gh8 s LEU 48 CO 0.00 -1.11 0.47 -0.69 0.23 0.00 0.00 176.35 175.24 1gh8 s VAL 49 N 3.20 5.18 0.44 -1.59 1.01 -1.26 -0.56 120.40 126.82 1gh8 s VAL 49 Ca 0.19 0.91 0.02 0.00 0.00 0.00 0.00 61.98 63.10 1gh8 s VAL 49 Cb -0.18 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.40 1gh8 s VAL 49 CO 0.12 0.30 0.64 0.00 0.00 0.00 0.00 175.10 176.16 1gh8 s ALA 50 N 0.85 3.91 -0.18 5.51 0.00 0.49 -4.73 121.76 127.62 1gh8 s ALA 50 Ca 0.24 -1.21 0.01 0.00 0.00 0.00 0.00 51.96 51.00 1gh8 s ALA 50 Cb -0.15 -2.01 0.02 0.00 0.00 0.00 0.00 23.12 20.98 1gh8 s ALA 50 CO 0.09 -0.35 -0.20 -0.51 0.00 0.00 0.00 175.76 174.79 1gh8 s LEU 51 N -4.49 2.11 -0.90 0.00 1.02 0.35 -1.22 118.68 115.54 1gh8 s LEU 51 Ca 0.49 -0.65 -0.19 0.00 0.02 0.00 0.00 54.13 53.81 1gh8 s LEU 51 Cb -0.10 -1.46 0.13 0.00 0.02 0.00 0.00 46.19 44.77 1gh8 s LEU 51 CO 0.36 -0.00 1.11 0.20 0.02 0.00 0.00 176.35 178.03 1gh8 s ASN 52 N 1.30 6.59 -0.70 2.29 0.02 -0.25 -1.33 114.94 122.85 1gh8 s ASN 52 Ca 0.05 -1.95 -0.23 0.00 -1.02 0.00 0.00 52.86 49.71 1gh8 s ASN 52 Cb -0.13 -2.40 0.07 0.00 0.02 0.00 0.00 41.25 38.81 1gh8 s ASN 52 CO -0.13 -1.09 1.03 -0.69 0.02 0.00 0.00 177.10 176.24 1gh8 s VAL 53 N 2.79 4.27 0.58 1.60 1.01 0.78 -1.73 120.40 129.70 1gh8 s VAL 53 Ca 0.31 -0.38 -0.07 0.00 0.00 0.00 0.00 61.98 61.84 1gh8 s VAL 53 Cb -0.06 -4.74 -0.01 0.00 0.00 0.00 0.00 36.38 31.57 1gh8 s VAL 53 CO -0.08 -1.53 0.92 -0.04 0.00 0.00 0.00 175.10 174.37 1gh8 s MET 54 N 4.20 3.20 -0.01 2.72 -1.94 -1.11 -2.45 119.30 123.91 1gh8 s MET 54 Ca 0.25 0.25 0.00 0.00 -1.71 0.00 0.00 55.69 54.49 1gh8 s MET 54 Cb -0.14 -2.23 0.01 0.00 2.01 0.00 0.00 34.83 34.48 1gh8 s MET 54 CO 0.09 -0.59 0.00 0.14 -0.01 0.00 0.00 175.02 174.65 1gh8 s VAL 55 N -3.01 0.08 -0.37 -6.03 -7.23 -0.62 0.62 120.40 103.84 1gh8 s VAL 55 Ca 0.53 0.05 -0.16 0.00 -1.81 0.00 0.00 61.98 60.59 1gh8 s VAL 55 Cb -0.11 -0.14 -0.00 0.00 0.56 0.00 0.00 36.38 36.70 1gh8 s VAL 55 CO 0.48 0.08 0.40 -0.69 -0.31 0.00 0.00 175.10 175.05 1gh8 s VAL 56 N 0.53 5.13 0.02 1.32 1.01 -1.17 -2.47 120.40 124.78 1gh8 s VAL 56 Ca -0.05 -0.05 0.05 0.00 0.00 0.00 0.00 61.98 61.93 1gh8 s VAL 56 Cb -0.07 -3.91 -0.02 0.00 0.00 0.00 0.00 36.38 32.38 1gh8 s VAL 56 CO -0.01 -0.21 -0.14 0.68 0.00 0.00 0.00 175.10 175.41 1gh8 s VAL 57 N 2.09 1.12 0.11 2.92 -7.23 -0.98 -4.32 120.40 114.13 1gh8 s VAL 57 Ca 0.13 -0.86 0.00 0.00 -1.81 0.00 0.00 61.98 59.44 1gh8 s VAL 57 Cb -0.17 -0.99 0.00 0.00 0.56 0.00 0.00 36.38 35.79 1gh8 s VAL 57 CO 0.12 0.12 0.00 0.61 -0.31 0.00 0.00 175.10 175.65 1gh8 n GLY 58 N 2.20 -1.84 0.01 2.32 0.00 -1.26 -1.14 105.19 105.48 1gh8 n GLY 58 Ca -0.17 0.53 0.14 0.00 0.00 0.00 0.00 46.02 46.53 1gh8 n GLY 58 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1gh8 n ASP 59 N -2.56 0.06 -2.19 1.61 5.75 -1.26 -4.79 116.55 113.18 1gh8 n ASP 59 Ca 0.00 0.16 0.00 0.00 -0.01 0.00 0.00 54.79 54.94 1gh8 n ASP 59 Cb 0.00 -0.35 0.00 0.00 -1.03 0.00 0.00 41.12 39.74 1gh8 n ASP 59 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1gh8 n ALA 60 N -1.39 0.00 -3.00 2.12 0.00 -1.26 -5.11 120.51 111.87 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 -0.03 0.00 0.28 -1.26 -5.00 120.64 114.63 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 0.02 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 0.02 0.00 -1.84 0.00 -1.26 -3.80 105.19 98.32 1gh8 n GLY 62 Ca 0.00 -0.04 0.07 0.00 0.00 0.00 0.00 46.02 46.06 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 0.36 -0.78 0.00 -0.02 0.00 -1.26 -2.24 105.19 101.25 1gh8 n GLY 63 Ca 0.01 -0.07 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 -1.28 0.28 0.23 2.61 -2.24 -1.25 -2.50 114.28 110.14 1gh8 n THR 64 Ca 0.07 0.07 0.18 0.00 -2.27 0.00 0.00 64.05 62.10 1gh8 n THR 64 Cb 0.12 -0.71 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 -0.28 -0.78 4.11 -1.79 0.06 114.58 115.90 1gh8 h GLU 65 Ca 0.00 0.00 0.08 0.00 0.07 0.00 0.00 59.36 59.51 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 0.22 0.00 0.07 0.00 0.00 179.01 179.30 1gh8 h ALA 66 N 1.57 2.19 0.25 1.06 0.00 -1.82 -1.88 119.26 120.63 1gh8 h ALA 66 Ca 0.08 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 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 -0.36 -0.12 0.00 0.00 0.00 0.00 179.25 178.77 1gh8 h ALA 67 N 1.83 -0.33 -0.77 0.00 0.00 -1.26 0.76 119.26 119.48 1gh8 h ALA 67 Ca 0.13 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.98 1gh8 h ALA 67 Cb 0.57 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 1gh8 h ALA 67 CO -0.00 -0.65 0.51 0.93 0.00 0.00 0.00 179.25 180.04 1gh8 h GLU 68 N -0.42 0.90 0.02 0.00 5.08 -1.53 -0.30 114.58 118.34 1gh8 h GLU 68 Ca -0.03 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1gh8 h GLU 68 Cb 0.32 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1gh8 h GLU 68 CO 0.06 0.60 -0.01 1.49 -1.00 0.00 0.00 179.01 180.14 1gh8 h GLU 69 N 0.93 -0.03 0.00 2.33 4.81 -0.92 -1.74 114.58 119.96 1gh8 h GLU 69 Ca 0.31 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.54 1gh8 h GLU 69 Cb 0.07 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.46 1gh8 h GLU 69 CO -0.09 0.02 -0.02 0.66 -0.73 0.00 0.00 179.01 178.85 1gh8 h SER 70 N -0.07 0.00 0.72 1.04 4.64 -0.14 -1.87 113.55 117.87 1gh8 h SER 70 Ca -0.00 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.18 1gh8 h SER 70 Cb 0.06 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.13 1gh8 h SER 70 CO 0.00 0.02 -0.63 -0.07 -0.87 0.00 0.00 176.83 175.28 1gh8 h LEU 71 N 0.00 0.00 -0.87 5.97 -0.00 -0.17 0.52 115.31 120.75 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 0.00 0.63 0.00 -1.54 -0.00 0.00 0.00 178.44 177.54 1gh8 n SER 72 N -3.69 0.48 -1.11 -0.43 3.41 -0.70 -2.99 113.62 108.58 1gh8 n SER 72 Ca -0.01 0.67 -0.02 0.00 -0.26 0.00 0.00 58.87 59.26 1gh8 n SER 72 Cb 0.65 -0.76 -0.03 0.00 -0.26 0.00 0.00 64.21 63.82 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 -0.75 0.73 0.00 5.00 0.00 -1.05 -5.13 105.19 103.99 1gh8 n GLY 73 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 0.19 0.00 -1.53 -0.61 3.06 0.18 -4.76 119.36 115.88 1gh8 n ILE 74 Ca -0.11 0.00 -0.21 0.00 -2.50 0.00 0.00 62.75 59.93 1gh8 n ILE 74 Cb 0.85 -1.33 -0.13 0.00 0.54 0.00 0.00 39.64 39.58 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 -0.53 0.38 0.27 9.51 0.00 -1.26 -4.73 120.64 124.27 1gh8 n GLU 75 Ca 0.00 -0.40 0.13 0.00 0.00 0.00 0.00 57.16 56.89 1gh8 n GLU 75 Cb 0.00 -2.58 0.77 0.00 0.00 0.00 0.00 31.44 29.64 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 17.50 0.00 1.14 -1.84 0.00 -1.97 -2.22 103.07 115.68 1gh8 h GLY 76 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.01 1gh8 h GLY 76 CO 1.26 0.00 -1.61 -0.24 0.00 0.00 0.00 176.54 175.96 1gh8 h VAL 77 N 0.00 1.04 -3.25 4.60 3.04 -1.94 -3.41 116.25 116.32 1gh8 h VAL 77 Ca -0.00 -2.75 -0.75 0.00 -1.01 0.00 0.00 66.70 62.19 1gh8 h VAL 77 Cb 0.20 2.65 -0.23 0.00 -2.01 0.00 0.00 31.29 31.90 1gh8 h VAL 77 CO 0.01 0.76 0.38 -0.44 -1.01 0.00 0.00 177.57 177.27 1gh8 s SER 78 N -6.76 6.69 0.08 3.17 0.01 -0.83 -0.34 113.70 115.72 1gh8 s SER 78 Ca -0.09 -2.41 -0.30 0.00 1.31 0.00 0.00 55.95 54.46 1gh8 s SER 78 Cb 0.07 -2.28 -0.06 0.00 0.21 0.00 0.00 66.02 63.96 1gh8 s SER 78 CO 0.83 -0.78 1.18 0.21 0.41 0.00 0.00 173.24 175.09 1gh8 s ASN 79 N 2.77 7.12 0.05 2.44 3.04 -0.74 -4.35 114.94 125.26 1gh8 s ASN 79 Ca 0.23 2.02 -0.00 0.00 0.04 0.00 0.00 52.86 55.16 1gh8 s ASN 79 Cb -0.09 -2.58 -0.04 0.00 -1.54 0.00 0.00 41.25 37.00 1gh8 s ASN 79 CO -0.09 -0.42 0.18 -0.63 -3.04 0.00 0.00 177.10 173.11 1gh8 s ILE 80 N 0.81 5.27 -1.35 -5.21 1.09 -1.26 -2.79 121.20 117.76 1gh8 s ILE 80 Ca 0.57 -0.40 -0.11 0.00 -1.10 0.00 0.00 60.65 59.61 1gh8 s ILE 80 Cb -0.29 -3.54 0.12 0.00 -1.06 0.00 0.00 42.46 37.68 1gh8 s ILE 80 CO 0.30 0.18 2.00 1.21 -0.10 0.00 0.00 174.94 178.53 1gh8 n GLU 81 N 0.45 3.33 -1.19 2.79 4.07 0.13 -4.82 120.64 125.40 1gh8 n GLU 81 Ca -0.07 -3.18 -0.24 0.00 -0.06 0.00 0.00 57.16 53.61 1gh8 n GLU 81 Cb 0.51 -3.07 -0.10 0.00 -0.06 0.00 0.00 31.44 28.72 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 3.62 -0.63 6.31 0.31 -1.26 -3.37 118.33 127.35 1gh8 n VAL 82 Ca 0.44 -2.12 0.00 0.00 -0.01 0.00 0.00 64.34 62.66 1gh8 n VAL 82 Cb 0.37 -2.21 0.00 0.00 -0.91 0.00 0.00 33.84 31.09 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 2.78 0.07 -3.02 2.52 -1.04 -1.26 -5.07 114.28 109.26 1gh8 n THR 83 Ca 0.58 -0.22 -0.38 0.00 -2.04 0.00 0.00 64.05 61.99 1gh8 n THR 83 Cb 0.61 1.47 -0.06 0.00 -1.82 0.00 0.00 70.33 70.53 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 -0.07 7.27 -0.01 8.00 1.11 -1.18 -5.04 116.67 126.75 1gh8 s ASP 84 Ca 0.00 1.57 -0.12 0.00 0.18 0.00 0.00 52.55 54.18 1gh8 s ASP 84 Cb 0.00 -2.47 0.01 0.00 1.07 0.00 0.00 42.92 41.53 1gh8 s ASP 84 CO 0.00 0.14 0.24 -0.69 1.18 0.00 0.00 175.17 176.04 1gh8 s VAL 85 N -1.29 0.07 -0.43 -1.27 1.01 -1.26 -2.46 120.40 114.77 1gh8 s VAL 85 Ca 0.38 -0.56 0.06 0.00 0.00 0.00 0.00 61.98 61.86 1gh8 s VAL 85 Cb -0.21 -0.54 0.22 0.00 0.00 0.00 0.00 36.38 35.85 1gh8 s VAL 85 CO 0.24 -0.31 0.55 0.54 0.00 0.00 0.00 175.10 176.12 1gh8 n ARG 86 N 1.34 0.56 -2.43 2.72 1.74 0.15 -4.91 116.66 115.82 1gh8 n ARG 86 Ca -0.22 -2.83 -0.38 0.00 -0.77 0.00 0.00 57.85 53.65 1gh8 n ARG 86 Cb 0.56 -1.41 -0.03 0.00 -1.02 0.00 0.00 32.46 30.56 1gh8 n ARG 86 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1gh8 s ARG 87 N -0.30 3.40 -1.21 5.56 0.52 -1.26 -1.23 118.95 124.42 1gh8 s ARG 87 Ca 0.33 -1.16 -0.18 0.00 -0.52 0.00 0.00 55.73 54.20 1gh8 s ARG 87 Cb 0.13 -5.34 0.09 0.00 0.52 0.00 0.00 34.95 30.35 1gh8 s ARG 87 CO -0.15 -2.58 1.60 -0.51 0.02 0.00 0.00 175.30 173.68 1gh8 s LEU 88 N 6.25 4.05 0.00 2.53 1.02 -0.76 -4.99 118.68 126.77 1gh8 s LEU 88 Ca 0.54 -2.34 0.27 0.00 0.02 0.00 0.00 54.13 52.62 1gh8 s LEU 88 Cb -0.00 -2.54 0.83 0.00 0.02 0.00 0.00 46.19 44.50 1gh8 s LEU 88 CO -0.02 -1.15 1.62 1.15 0.02 0.00 0.00 176.35 177.96