#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 0.32 3.92 3.03 0.00 0.20 -4.50 105.19 108.17 1gh8 n GLY 2 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 6.16 -0.17 1.61 1.11 -0.79 -4.90 116.67 119.69 1gh8 s ASP 3 Ca 0.00 0.71 -0.05 0.00 0.18 0.00 0.00 52.55 53.39 1gh8 s ASP 3 Cb 0.00 -2.06 -0.03 0.00 1.07 0.00 0.00 42.92 41.90 1gh8 s ASP 3 CO 0.00 -0.56 -0.01 -0.69 1.18 0.00 0.00 175.17 175.09 1gh8 s VAL 4 N -2.63 4.08 -0.16 -1.27 1.01 0.34 -0.78 120.40 120.99 1gh8 s VAL 4 Ca 0.46 -0.28 -0.01 0.00 0.00 0.00 0.00 61.98 62.15 1gh8 s VAL 4 Cb -0.10 -2.81 0.04 0.00 0.00 0.00 0.00 36.38 33.51 1gh8 s VAL 4 CO 0.42 0.47 -0.05 -0.69 0.00 0.00 0.00 175.10 175.25 1gh8 s VAL 5 N 0.52 1.06 0.43 2.92 1.01 -0.46 -0.85 120.40 125.03 1gh8 s VAL 5 Ca -0.01 -0.59 0.03 0.00 0.00 0.00 0.00 61.98 61.40 1gh8 s VAL 5 Cb -0.14 -1.24 0.00 0.00 0.00 0.00 0.00 36.38 35.00 1gh8 s VAL 5 CO 0.02 0.12 0.63 0.00 0.00 0.00 0.00 175.10 175.87 1gh8 s ALA 6 N 1.66 3.96 -0.05 5.51 0.00 -0.98 0.11 121.76 131.97 1gh8 s ALA 6 Ca 0.01 -1.26 -0.02 0.00 0.00 0.00 0.00 51.96 50.69 1gh8 s ALA 6 Cb -0.15 -1.97 0.04 0.00 0.00 0.00 0.00 23.12 21.04 1gh8 s ALA 6 CO -0.08 -0.34 0.10 0.99 0.00 0.00 0.00 175.76 176.44 1gh8 s THR 7 N -2.47 -0.10 -0.27 0.00 2.01 -0.28 -0.70 115.64 113.84 1gh8 s THR 7 Ca 0.49 0.25 0.03 0.00 0.31 0.00 0.00 61.69 62.78 1gh8 s THR 7 Cb -0.10 -0.19 0.06 0.00 0.01 0.00 0.00 72.50 72.29 1gh8 s THR 7 CO 0.36 0.11 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.68 1gh8 s ILE 8 N 1.47 2.12 -0.65 1.82 -1.09 -0.46 -2.99 121.20 121.41 1gh8 s ILE 8 Ca -0.05 -1.68 -0.17 0.00 -2.23 0.00 0.00 60.65 56.52 1gh8 s ILE 8 Cb -0.12 -2.28 0.14 0.00 -1.58 0.00 0.00 42.46 38.62 1gh8 s ILE 8 CO -0.05 -0.10 0.67 -0.54 -1.23 0.00 0.00 174.94 173.69 1gh8 s LYS 9 N 1.11 3.20 0.01 2.79 -0.14 -1.22 -0.01 119.74 125.47 1gh8 s LYS 9 Ca -0.06 -1.79 -0.15 0.00 -1.36 0.00 0.00 55.97 52.60 1gh8 s LYS 9 Cb -0.20 -4.36 -0.06 0.00 -1.68 0.00 0.00 37.83 31.53 1gh8 s LYS 9 CO -0.06 -1.41 0.43 0.14 -0.76 0.00 0.00 175.35 173.69 1gh8 s VAL 10 N 1.63 5.00 -0.11 3.17 -7.23 -0.40 -0.41 120.40 122.05 1gh8 s VAL 10 Ca 0.11 0.88 -0.05 0.00 -1.81 0.00 0.00 61.98 61.12 1gh8 s VAL 10 Cb -0.22 -3.73 0.06 0.00 0.56 0.00 0.00 36.38 33.05 1gh8 s VAL 10 CO 0.00 0.58 0.24 -0.32 -0.31 0.00 0.00 175.10 175.29 1gh8 s MET 11 N -1.08 0.14 -0.12 4.82 0.00 -1.15 -0.53 119.30 121.38 1gh8 s MET 11 Ca 0.24 0.66 -0.29 0.00 0.00 0.00 0.00 55.69 56.30 1gh8 s MET 11 Cb -0.17 -0.10 -0.03 0.00 0.00 0.00 0.00 34.83 34.54 1gh8 s MET 11 CO 0.14 -0.26 1.36 -2.14 0.00 0.00 0.00 175.02 174.13 1gh8 s PRO 12 N 2.10 4.23 0.49 4.11 0.02 -1.26 -2.00 135.00 142.70 1gh8 s PRO 12 Ca -0.01 1.81 0.17 0.00 0.02 0.00 0.00 61.00 63.00 1gh8 s PRO 12 Cb -0.12 -3.78 1.22 0.00 0.02 0.00 0.00 34.50 31.83 1gh8 s PRO 12 CO -0.08 -0.71 2.06 0.93 -0.33 0.00 0.00 177.00 178.87 1gh8 h GLU 13 N 8.43 0.14 -7.09 5.54 4.39 -1.14 -3.43 114.58 121.42 1gh8 h GLU 13 Ca -0.31 -0.01 -0.46 0.00 0.34 0.00 0.00 59.36 58.92 1gh8 h GLU 13 Cb 1.13 -0.03 0.01 0.00 -0.10 0.00 0.00 28.75 29.76 1gh8 h GLU 13 CO 0.95 0.09 0.37 -1.12 -1.16 0.00 0.00 179.01 178.14 1gh8 s SER 14 N -6.59 6.57 0.00 1.42 0.01 -1.26 -4.92 113.70 108.93 1gh8 s SER 14 Ca -0.06 1.78 0.11 0.00 1.31 0.00 0.00 55.95 59.08 1gh8 s SER 14 Cb 0.18 -2.54 0.58 0.00 0.21 0.00 0.00 66.02 64.45 1gh8 s SER 14 CO 0.71 -0.62 1.17 -0.81 0.41 0.00 0.00 173.24 174.10 1gh8 n PRO 15 N -1.01 0.23 -1.15 12.44 -0.04 -1.26 -3.08 135.00 141.12 1gh8 n PRO 15 Ca 0.08 0.11 -0.23 0.00 -0.04 0.00 0.00 63.50 63.41 1gh8 n PRO 15 Cb 0.53 -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 -1.17 6.75 -4.35 3.54 8.00 -1.26 -4.88 116.55 123.18 1gh8 n ASP 16 Ca 0.06 -3.26 -0.27 0.00 0.71 0.00 0.00 54.79 52.03 1gh8 n ASP 16 Cb 0.06 -1.08 -0.09 0.00 -0.02 0.00 0.00 41.12 39.99 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 0.20 0.96 -2.00 2.53 0.31 -1.18 -4.87 118.33 114.28 1gh8 n VAL 17 Ca 0.41 -0.97 -0.39 0.00 -0.01 0.00 0.00 64.34 63.39 1gh8 n VAL 17 Cb 0.57 -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 7.16 5.26 0.07 4.52 1.01 -1.26 -4.85 116.67 128.57 1gh8 s ASP 18 Ca 0.72 0.48 -0.23 0.00 0.71 0.00 0.00 52.55 54.23 1gh8 s ASP 18 Cb 0.01 -2.53 -0.14 0.00 1.01 0.00 0.00 42.92 41.28 1gh8 s ASP 18 CO 0.18 -2.36 1.61 0.25 0.21 0.00 0.00 175.17 175.06 1gh8 h LEU 19 N 16.44 0.09 -0.61 1.23 6.46 -1.92 0.35 115.31 137.35 1gh8 h LEU 19 Ca -0.26 -0.15 -0.12 0.00 -0.12 0.00 0.00 57.88 57.22 1gh8 h LEU 19 Cb 1.17 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 41.06 1gh8 h LEU 19 CO 1.20 0.21 -0.24 -0.08 -0.62 0.00 0.00 178.44 178.91 1gh8 h GLU 20 N -0.04 0.84 -0.28 1.25 4.57 -1.99 0.15 114.58 119.08 1gh8 h GLU 20 Ca 0.02 -0.36 -0.14 0.00 -1.18 0.00 0.00 59.36 57.70 1gh8 h GLU 20 Cb 0.15 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.70 1gh8 h GLU 20 CO -0.00 0.99 -0.42 0.00 -1.18 0.00 0.00 179.01 178.40 1gh8 h ALA 21 N 1.00 0.75 -0.27 2.92 0.00 -1.94 -2.55 119.26 119.16 1gh8 h ALA 21 Ca 0.09 -0.45 -0.07 0.00 0.00 0.00 0.00 54.91 54.48 1gh8 h ALA 21 Cb 0.78 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1gh8 h ALA 21 CO 0.06 0.66 -0.12 1.25 0.00 0.00 0.00 179.25 181.10 1gh8 h LEU 22 N 0.55 0.44 -0.31 0.00 5.85 0.13 -1.51 115.31 120.47 1gh8 h LEU 22 Ca 0.04 -0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.67 1gh8 h LEU 22 Cb 0.95 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.84 1gh8 h LEU 22 CO 0.09 0.60 0.17 0.11 -0.34 0.00 0.00 178.44 179.07 1gh8 h LYS 23 N 0.43 0.35 -0.30 1.25 1.57 -0.30 0.59 116.57 120.15 1gh8 h LYS 23 Ca 0.08 -0.02 -0.14 0.00 -1.87 0.00 0.00 60.65 58.70 1gh8 h LYS 23 Cb 0.48 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 1gh8 h LYS 23 CO 0.03 0.23 -0.37 1.57 -0.57 0.00 0.00 179.45 180.33 1gh8 h LYS 24 N 0.36 0.69 -0.06 3.15 2.10 -1.27 -2.70 116.57 118.84 1gh8 h LYS 24 Ca 0.12 -0.34 -0.07 0.00 -2.00 0.00 0.00 60.65 58.36 1gh8 h LYS 24 Cb 0.01 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.33 1gh8 h LYS 24 CO -0.06 0.95 -0.28 0.93 -2.00 0.00 0.00 179.45 178.99 1gh8 h GLU 25 N 0.57 0.11 -0.63 0.07 5.08 -0.73 -2.63 114.58 116.43 1gh8 h GLU 25 Ca 0.05 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1gh8 h GLU 25 Cb 0.90 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.11 1gh8 h GLU 25 CO 0.08 0.39 0.30 0.82 -1.00 0.00 0.00 179.01 179.60 1gh8 h ILE 26 N 0.10 1.22 -0.98 3.13 2.04 0.50 -1.55 117.51 121.96 1gh8 h ILE 26 Ca 0.01 -0.61 0.06 0.00 1.00 0.00 0.00 64.86 65.32 1gh8 h ILE 26 Cb 0.56 0.46 -0.06 0.00 -0.74 0.00 0.00 36.82 37.04 1gh8 h ILE 26 CO 0.04 0.25 0.64 1.56 0.00 0.00 0.00 178.15 180.64 1gh8 h GLN 27 N 0.86 1.14 0.00 2.37 7.50 -1.27 -1.04 115.11 124.67 1gh8 h GLN 27 Ca 0.22 -0.07 -0.07 0.00 0.50 0.00 0.00 58.65 59.23 1gh8 h GLN 27 Cb 0.12 -0.26 -0.01 0.00 0.05 0.00 0.00 27.48 27.38 1gh8 h GLN 27 CO -0.03 0.75 -0.31 0.93 -1.50 0.00 0.00 178.83 178.67 1gh8 h GLU 28 N 1.17 0.00 0.00 1.46 4.39 -1.37 -3.11 114.58 117.13 1gh8 h GLU 28 Ca 0.41 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.11 1gh8 h GLU 28 Cb 0.13 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 1gh8 h GLU 28 CO -0.15 0.31 -0.55 2.89 -1.16 0.00 0.00 179.01 180.35 1gh8 n ARG 29 N -3.33 0.17 -1.72 2.33 1.85 -0.51 -4.91 116.66 110.54 1gh8 n ARG 29 Ca 0.01 0.05 -0.43 0.00 -1.00 0.00 0.00 57.85 56.48 1gh8 n ARG 29 Cb 0.54 -1.61 -0.02 0.00 -1.05 0.00 0.00 32.46 30.33 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 -1.85 1.09 -1.66 8.89 2.08 -0.53 -4.81 119.36 122.56 1gh8 n ILE 30 Ca 0.04 -0.27 -0.49 0.00 0.56 0.00 0.00 62.75 62.59 1gh8 n ILE 30 Cb 0.40 -1.76 -0.05 0.00 -0.75 0.00 0.00 39.64 37.47 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 1.96 1.85 0.00 0.38 -0.04 -1.26 -4.80 135.00 133.09 1gh8 n PRO 31 Ca 0.09 0.67 0.00 0.00 -0.04 0.00 0.00 63.50 64.22 1gh8 n PRO 31 Cb 0.35 -2.42 0.00 0.00 -0.04 0.00 0.00 33.50 31.38 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 4.21 0.00 -0.00 0.54 1.02 -1.26 -2.24 120.64 122.90 1gh8 n GLU 32 Ca 0.20 0.09 -0.19 0.00 -0.02 0.00 0.00 57.16 57.24 1gh8 n GLU 32 Cb 0.25 -1.51 -0.14 0.00 -0.02 0.00 0.00 31.44 30.03 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 0.21 0.00 0.62 0.00 -1.78 -3.48 103.07 98.64 1gh8 h GLY 33 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 47.33 46.80 1gh8 h GLY 33 CO 0.00 0.47 0.00 2.41 0.00 0.00 0.00 176.54 179.42 1gh8 n THR 34 N -4.25 0.00 -4.24 4.70 -1.04 -0.95 -4.75 114.28 103.75 1gh8 n THR 34 Ca -0.16 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 61.70 1gh8 n THR 34 Cb 0.73 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 69.15 1gh8 n THR 34 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 1gh8 s GLU 35 N 4.25 1.40 0.77 -2.82 -1.05 -1.26 -4.76 118.70 115.23 1gh8 s GLU 35 Ca 0.00 -1.77 -0.13 0.00 -0.15 0.00 0.00 54.97 52.92 1gh8 s GLU 35 Cb 0.00 0.24 0.19 0.00 -0.44 0.00 0.00 34.13 34.11 1gh8 s GLU 35 CO 0.00 -0.47 0.83 1.47 0.95 0.00 0.00 175.26 178.04 1gh8 n LEU 36 N -0.41 0.00 0.00 1.83 -0.00 -1.26 -3.39 117.00 113.77 1gh8 n LEU 36 Ca 0.03 -0.89 0.00 0.00 -0.00 0.00 0.00 56.01 55.15 1gh8 n LEU 36 Cb 0.65 -0.70 0.00 0.00 -0.00 0.00 0.00 43.42 43.37 1gh8 n LEU 36 CO 0.33 -1.51 0.00 1.57 -0.00 0.00 0.00 177.39 177.78 1gh8 n HIS 37 N -3.74 0.00 -3.63 1.47 -0.00 0.30 -3.40 115.22 106.22 1gh8 n HIS 37 Ca 0.11 0.00 -0.05 0.00 -0.00 0.00 0.00 57.72 57.78 1gh8 n HIS 37 Cb 0.40 0.24 -0.06 0.00 -0.00 0.00 0.00 29.99 30.56 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 -0.81 0.60 0.34 1.57 2.47 -1.22 -4.96 119.74 117.74 1gh8 s LYS 38 Ca 0.00 1.09 0.01 0.00 -1.56 0.00 0.00 55.97 55.51 1gh8 s LYS 38 Cb 0.00 0.21 -0.03 0.00 -1.46 0.00 0.00 37.83 36.55 1gh8 s LYS 38 CO 0.00 -0.14 0.54 0.42 0.16 0.00 0.00 175.35 176.33 1gh8 s ILE 39 N 1.72 5.09 -0.08 5.43 1.01 -1.25 -1.84 121.20 131.28 1gh8 s ILE 39 Ca -0.09 -0.50 0.02 0.00 0.00 0.00 0.00 60.65 60.08 1gh8 s ILE 39 Cb -0.05 -3.85 0.01 0.00 0.01 0.00 0.00 42.46 38.57 1gh8 s ILE 39 CO -0.19 -0.54 -0.14 -0.62 0.00 0.00 0.00 174.94 173.46 1gh8 s ASP 40 N -4.04 2.03 -1.29 3.58 -1.08 -0.55 -4.85 116.67 110.47 1gh8 s ASP 40 Ca 0.40 -0.34 -0.12 0.00 -0.52 0.00 0.00 52.55 51.96 1gh8 s ASP 40 Cb -0.10 -0.92 0.14 0.00 -1.46 0.00 0.00 42.92 40.58 1gh8 s ASP 40 CO 0.36 0.04 1.81 -1.84 0.52 0.00 0.00 175.17 176.05 1gh8 n GLU 41 N 3.90 3.41 -3.72 4.34 0.28 -1.26 -0.91 120.64 126.68 1gh8 n GLU 41 Ca -0.21 -3.45 -0.36 0.00 -0.16 0.00 0.00 57.16 52.97 1gh8 n GLU 41 Cb 0.52 -3.05 -0.07 0.00 1.43 0.00 0.00 31.44 30.26 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 1.40 3.97 0.42 3.44 2.02 -0.27 -4.93 118.70 124.75 1gh8 s GLU 42 Ca 0.43 -0.10 -0.07 0.00 0.02 0.00 0.00 54.97 55.24 1gh8 s GLU 42 Cb 0.07 -3.34 -0.05 0.00 0.10 0.00 0.00 34.13 30.90 1gh8 s GLU 42 CO -0.00 0.45 0.75 -1.25 0.02 0.00 0.00 175.26 175.22 1gh8 s PRO 43 N -0.10 3.66 0.00 0.39 0.04 -1.26 0.16 135.00 137.89 1gh8 s PRO 43 Ca 0.13 0.28 0.00 0.00 0.04 0.00 0.00 61.00 61.45 1gh8 s PRO 43 Cb -0.12 -2.42 0.00 0.00 0.04 0.00 0.00 34.50 32.00 1gh8 s PRO 43 CO 0.02 -0.07 0.00 -0.89 0.04 0.00 0.00 177.00 176.09 1gh8 n ILE 44 N -1.66 0.00 0.00 0.56 2.08 -0.18 -4.72 119.36 115.43 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 0.54 -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 -1.60 0.00 0.20 -1.39 0.00 -1.06 -4.88 120.51 111.78 1gh8 n ALA 45 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 1gh8 n ALA 45 Cb 0.00 0.00 0.39 0.00 0.00 0.00 0.00 19.45 19.84 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 -0.38 0.00 0.00 0.00 0.04 -2.04 -3.38 116.94 111.18 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 0.30 0.00 0.41 -0.60 0.00 0.00 178.31 178.42 1gh8 n GLY 47 N 0.20 0.83 3.41 -1.45 0.00 -1.26 -5.05 105.19 101.87 1gh8 n GLY 47 Ca -0.00 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 4.97 -0.09 0.99 1.43 -1.26 -4.91 118.68 119.81 1gh8 s LEU 48 Ca 0.00 -1.23 -0.17 0.00 -1.03 0.00 0.00 54.13 51.70 1gh8 s LEU 48 Cb 0.00 -2.36 -0.05 0.00 0.03 0.00 0.00 46.19 43.81 1gh8 s LEU 48 CO 0.00 -1.24 0.45 -0.69 0.23 0.00 0.00 176.35 175.10 1gh8 s VAL 49 N 3.24 5.14 0.36 -1.59 1.01 -1.26 -1.01 120.40 126.29 1gh8 s VAL 49 Ca 0.16 0.90 0.02 0.00 0.00 0.00 0.00 61.98 63.06 1gh8 s VAL 49 Cb -0.21 -3.78 -0.02 0.00 0.00 0.00 0.00 36.38 32.37 1gh8 s VAL 49 CO 0.08 0.40 0.54 0.00 0.00 0.00 0.00 175.10 176.12 1gh8 s ALA 50 N 0.13 3.83 -0.17 5.51 0.00 0.42 -4.72 121.76 126.76 1gh8 s ALA 50 Ca 0.25 -1.09 0.01 0.00 0.00 0.00 0.00 51.96 51.13 1gh8 s ALA 50 Cb -0.15 -1.99 0.02 0.00 0.00 0.00 0.00 23.12 21.00 1gh8 s ALA 50 CO 0.11 -0.08 -0.20 -0.51 0.00 0.00 0.00 175.76 175.08 1gh8 s LEU 51 N -4.30 2.07 -0.88 0.00 1.02 0.31 -1.12 118.68 115.78 1gh8 s LEU 51 Ca 0.42 -0.62 -0.19 0.00 0.02 0.00 0.00 54.13 53.76 1gh8 s LEU 51 Cb -0.10 -1.43 0.13 0.00 0.02 0.00 0.00 46.19 44.81 1gh8 s LEU 51 CO 0.35 0.01 1.07 0.20 0.02 0.00 0.00 176.35 178.00 1gh8 s ASN 52 N 1.21 6.56 -0.58 2.29 0.02 -0.08 -1.27 114.94 123.08 1gh8 s ASN 52 Ca 0.02 -1.92 -0.24 0.00 -1.02 0.00 0.00 52.86 49.70 1gh8 s ASN 52 Cb -0.14 -2.39 0.05 0.00 0.02 0.00 0.00 41.25 38.80 1gh8 s ASN 52 CO -0.10 -1.09 0.95 -0.69 0.02 0.00 0.00 177.10 176.19 1gh8 s VAL 53 N 2.72 4.37 0.58 1.60 1.01 0.98 -1.48 120.40 130.18 1gh8 s VAL 53 Ca 0.30 0.12 -0.07 0.00 0.00 0.00 0.00 61.98 62.33 1gh8 s VAL 53 Cb -0.07 -4.58 -0.01 0.00 0.00 0.00 0.00 36.38 31.72 1gh8 s VAL 53 CO -0.06 -1.20 0.91 -0.04 0.00 0.00 0.00 175.10 174.70 1gh8 s MET 54 N 3.99 3.16 -0.04 2.72 -1.94 -0.77 -1.36 119.30 125.07 1gh8 s MET 54 Ca 0.28 0.20 -0.00 0.00 -1.71 0.00 0.00 55.69 54.46 1gh8 s MET 54 Cb -0.14 -2.25 0.03 0.00 2.01 0.00 0.00 34.83 34.49 1gh8 s MET 54 CO 0.17 -0.59 -0.00 0.14 -0.01 0.00 0.00 175.02 174.72 1gh8 s VAL 55 N -2.99 0.26 -0.43 -6.03 -7.23 0.12 0.11 120.40 104.21 1gh8 s VAL 55 Ca 0.53 0.08 -0.19 0.00 -1.81 0.00 0.00 61.98 60.59 1gh8 s VAL 55 Cb -0.11 -0.37 0.02 0.00 0.56 0.00 0.00 36.38 36.49 1gh8 s VAL 55 CO 0.47 0.19 0.54 0.54 -0.31 0.00 0.00 175.10 176.52 1gh8 s VAL 56 N 1.28 4.96 0.05 1.32 0.11 -1.22 -2.31 120.40 124.59 1gh8 s VAL 56 Ca -0.06 -0.14 0.06 0.00 -2.93 0.00 0.00 61.98 58.91 1gh8 s VAL 56 Cb -0.13 -4.13 -0.03 0.00 -1.53 0.00 0.00 36.38 30.56 1gh8 s VAL 56 CO -0.02 -0.52 -0.17 0.68 -3.33 0.00 0.00 175.10 171.74 1gh8 s VAL 57 N 2.47 1.32 0.22 2.04 -7.23 -0.03 -4.54 120.40 114.64 1gh8 s VAL 57 Ca 0.17 -1.15 0.00 0.00 -1.81 0.00 0.00 61.98 59.19 1gh8 s VAL 57 Cb -0.16 -1.19 0.00 0.00 0.56 0.00 0.00 36.38 35.59 1gh8 s VAL 57 CO 0.16 0.01 0.00 0.61 -0.31 0.00 0.00 175.10 175.57 1gh8 n GLY 58 N 1.70 -1.71 0.03 2.32 0.00 -1.26 -0.50 105.19 105.77 1gh8 n GLY 58 Ca -0.18 0.50 0.14 0.00 0.00 0.00 0.00 46.02 46.47 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 -3.03 0.22 -1.49 1.61 2.03 -1.26 -4.76 116.55 109.87 1gh8 n ASP 59 Ca 0.00 0.51 0.00 0.00 0.52 0.00 0.00 54.79 55.82 1gh8 n ASP 59 Cb 0.00 -0.56 0.00 0.00 -0.72 0.00 0.00 41.12 39.84 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 -1.58 0.00 -3.00 -1.67 0.00 -1.26 -5.11 120.51 107.89 1gh8 n ALA 60 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1gh8 n ALA 60 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.81 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 -5.01 120.64 114.62 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 0.40 0.00 -1.84 0.00 -1.26 -3.88 105.19 98.60 1gh8 n GLY 62 Ca 0.00 -0.04 0.08 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 0.28 -0.53 0.00 -0.02 0.00 -1.26 -2.58 105.19 101.08 1gh8 n GLY 63 Ca 0.01 -0.10 0.10 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.03 0.23 0.22 2.61 -2.24 -1.25 -2.37 114.28 110.44 1gh8 n THR 64 Ca 0.12 0.06 0.18 0.00 -2.27 0.00 0.00 64.05 62.13 1gh8 n THR 64 Cb 0.06 -0.72 0.83 0.00 -2.10 0.00 0.00 70.33 68.40 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 -1.85 -0.02 114.58 115.82 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 29.36 1gh8 h GLU 65 CO 0.00 0.00 0.19 0.00 0.07 0.00 0.00 179.01 179.27 1gh8 h ALA 66 N 1.59 1.99 0.61 1.06 0.00 -1.84 -2.16 119.26 120.50 1gh8 h ALA 66 Ca 0.09 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1gh8 h ALA 66 Cb 0.68 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1gh8 h ALA 66 CO -0.00 -0.30 -0.31 0.00 0.00 0.00 0.00 179.25 178.64 1gh8 h ALA 67 N 1.82 -0.84 -0.76 0.00 0.00 -1.28 0.11 119.26 118.31 1gh8 h ALA 67 Ca 0.10 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 54.89 1gh8 h ALA 67 Cb 0.48 0.35 -0.05 0.00 0.00 0.00 0.00 17.79 18.57 1gh8 h ALA 67 CO -0.00 -0.98 0.50 0.93 0.00 0.00 0.00 179.25 179.70 1gh8 h GLU 68 N -0.84 0.82 0.18 0.00 5.08 -1.59 -0.25 114.58 117.98 1gh8 h GLU 68 Ca -0.08 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 1gh8 h GLU 68 Cb 0.66 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1gh8 h GLU 68 CO 0.12 0.54 -0.09 1.49 -1.00 0.00 0.00 179.01 180.08 1gh8 h GLU 69 N 0.84 -0.23 0.00 2.33 4.81 -1.03 -2.04 114.58 119.26 1gh8 h GLU 69 Ca 0.32 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.57 1gh8 h GLU 69 Cb 0.19 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.62 1gh8 h GLU 69 CO -0.11 -0.12 -0.01 0.66 -0.73 0.00 0.00 179.01 178.71 1gh8 h SER 70 N -0.29 0.00 0.79 1.04 4.64 -0.12 -1.95 113.55 117.66 1gh8 h SER 70 Ca -0.02 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.19 1gh8 h SER 70 Cb 0.22 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.30 1gh8 h SER 70 CO 0.04 0.01 -0.52 -0.07 -0.87 0.00 0.00 176.83 175.42 1gh8 h LEU 71 N 0.00 0.00 -1.03 5.97 -0.00 -0.34 0.60 115.31 120.51 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 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.89 1gh8 h LEU 71 CO 0.00 0.52 0.00 -0.24 -0.00 0.00 0.00 178.44 178.72 1gh8 n SER 72 N -3.62 0.56 -1.08 -0.43 2.88 -0.73 -2.99 113.62 108.20 1gh8 n SER 72 Ca -0.01 0.70 -0.02 0.00 -1.33 0.00 0.00 58.87 58.22 1gh8 n SER 72 Cb 0.59 -0.80 -0.03 0.00 -0.75 0.00 0.00 64.21 63.23 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 -0.75 0.73 0.00 0.46 0.00 -1.02 -5.12 105.19 99.49 1gh8 n GLY 73 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 0.18 0.00 -1.53 -0.61 3.06 0.21 -4.73 119.36 115.93 1gh8 n ILE 74 Ca -0.11 0.00 -0.20 0.00 -2.50 0.00 0.00 62.75 59.94 1gh8 n ILE 74 Cb 0.84 -1.30 -0.14 0.00 0.54 0.00 0.00 39.64 39.58 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 -0.05 0.31 0.28 9.51 4.71 -1.26 -4.72 120.64 129.41 1gh8 n GLU 75 Ca 0.00 -0.38 0.12 0.00 -0.01 0.00 0.00 57.16 56.89 1gh8 n GLU 75 Cb 0.00 -2.38 0.79 0.00 -1.01 0.00 0.00 31.44 28.84 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 16.78 0.00 0.86 0.62 0.00 -1.97 -2.27 103.07 117.09 1gh8 h GLY 76 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.98 1gh8 h GLY 76 CO 1.31 0.00 -1.80 -0.24 0.00 0.00 0.00 176.54 175.81 1gh8 h VAL 77 N 0.00 0.87 -3.27 4.60 3.04 -1.94 -3.41 116.25 116.13 1gh8 h VAL 77 Ca -0.00 -2.49 -0.75 0.00 -1.01 0.00 0.00 66.70 62.45 1gh8 h VAL 77 Cb 0.10 2.70 -0.23 0.00 -2.01 0.00 0.00 31.29 31.85 1gh8 h VAL 77 CO 0.01 0.86 0.37 -0.55 -1.01 0.00 0.00 177.57 177.25 1gh8 s SER 78 N -7.20 6.70 0.10 3.17 0.15 -0.85 -0.46 113.70 115.30 1gh8 s SER 78 Ca -0.17 -2.41 -0.30 0.00 0.70 0.00 0.00 55.95 53.76 1gh8 s SER 78 Cb 0.06 -2.28 -0.06 0.00 -1.71 0.00 0.00 66.02 62.03 1gh8 s SER 78 CO 0.83 -0.77 1.12 0.21 1.20 0.00 0.00 173.24 175.83 1gh8 s ASN 79 N 2.75 7.21 0.02 5.45 3.04 -0.84 -4.39 114.94 128.17 1gh8 s ASN 79 Ca 0.23 1.98 -0.01 0.00 0.04 0.00 0.00 52.86 55.10 1gh8 s ASN 79 Cb -0.09 -2.59 -0.04 0.00 -1.54 0.00 0.00 41.25 37.00 1gh8 s ASN 79 CO -0.09 -0.33 0.17 -0.63 -3.04 0.00 0.00 177.10 173.18 1gh8 s ILE 80 N 0.54 5.25 -1.31 -5.21 1.01 -1.26 -2.95 121.20 117.26 1gh8 s ILE 80 Ca 0.54 -0.30 -0.13 0.00 0.00 0.00 0.00 60.65 60.76 1gh8 s ILE 80 Cb -0.28 -3.48 0.12 0.00 0.01 0.00 0.00 42.46 38.83 1gh8 s ILE 80 CO 0.31 0.27 1.85 -0.62 0.00 0.00 0.00 174.94 176.75 1gh8 n GLU 81 N 0.78 3.31 -1.23 2.79 -0.58 0.46 -4.83 120.64 121.33 1gh8 n GLU 81 Ca -0.10 -3.32 -0.28 0.00 -0.42 0.00 0.00 57.16 53.05 1gh8 n GLU 81 Cb 0.52 -3.13 -0.09 0.00 -0.57 0.00 0.00 31.44 28.17 1gh8 n GLU 81 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1gh8 n VAL 82 N 4.52 3.80 -0.63 2.62 0.31 -1.26 -3.45 118.33 124.23 1gh8 n VAL 82 Ca 0.44 -2.25 0.00 0.00 -0.01 0.00 0.00 64.34 62.51 1gh8 n VAL 82 Cb 0.40 -2.30 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 2.94 0.11 -3.04 2.52 -1.04 -1.26 -5.07 114.28 109.43 1gh8 n THR 83 Ca 0.62 -0.24 -0.39 0.00 -2.04 0.00 0.00 64.05 62.00 1gh8 n THR 83 Cb 0.52 1.40 -0.06 0.00 -1.82 0.00 0.00 70.33 70.37 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 -0.11 7.24 0.10 8.00 -1.08 -1.16 -5.03 116.67 124.63 1gh8 s ASP 84 Ca 0.00 1.47 -0.08 0.00 -0.52 0.00 0.00 52.55 53.42 1gh8 s ASP 84 Cb 0.00 -2.46 -0.00 0.00 -1.46 0.00 0.00 42.92 39.00 1gh8 s ASP 84 CO 0.00 0.13 0.19 0.54 0.52 0.00 0.00 175.17 176.55 1gh8 s VAL 85 N -0.63 0.14 -0.38 1.11 0.11 -1.26 -1.12 120.40 118.36 1gh8 s VAL 85 Ca 0.35 -1.24 0.04 0.00 -2.93 0.00 0.00 61.98 58.21 1gh8 s VAL 85 Cb -0.21 -1.41 0.16 0.00 -1.53 0.00 0.00 36.38 33.39 1gh8 s VAL 85 CO 0.23 -0.63 0.41 -0.13 -3.33 0.00 0.00 175.10 171.65 1gh8 s ARG 86 N -3.88 0.69 -0.48 1.54 0.52 0.30 -4.86 118.95 112.78 1gh8 s ARG 86 Ca 0.06 -0.90 -0.29 0.00 -0.52 0.00 0.00 55.73 54.08 1gh8 s ARG 86 Cb 0.05 -0.68 0.03 0.00 0.52 0.00 0.00 34.95 34.86 1gh8 s ARG 86 CO -0.10 -1.21 1.21 1.03 0.02 0.00 0.00 175.30 176.25 1gh8 s ARG 87 N 1.35 3.65 -1.31 3.54 1.81 -1.26 -1.35 118.95 125.37 1gh8 s ARG 87 Ca 0.18 0.60 -0.16 0.00 -1.72 0.00 0.00 55.73 54.63 1gh8 s ARG 87 Cb -0.13 -3.95 0.08 0.00 -0.45 0.00 0.00 34.95 30.50 1gh8 s ARG 87 CO -0.03 -1.48 1.79 1.28 -0.68 0.00 0.00 175.30 176.18 1gh8 n LEU 88 N 8.19 5.40 -0.64 2.53 4.32 0.04 -4.99 117.00 131.85 1gh8 n LEU 88 Ca 0.13 -4.07 0.13 0.00 -0.02 0.00 0.00 56.01 52.18 1gh8 n LEU 88 Cb 0.49 -1.70 0.38 0.00 -1.62 0.00 0.00 43.42 40.97 1gh8 n LEU 88 CO 0.72 0.46 0.79 1.15 -1.22 0.00 0.00 177.39 179.28