#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 0.06 3.85 3.17 0.00 0.00 -4.66 105.19 107.61 1gh8 n GLY 2 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 6.78 -0.38 1.61 1.11 -0.37 -4.85 116.67 120.58 1gh8 s ASP 3 Ca 0.00 1.13 -0.09 0.00 0.18 0.00 0.00 52.55 53.77 1gh8 s ASP 3 Cb 0.00 -2.31 0.05 0.00 1.07 0.00 0.00 42.92 41.73 1gh8 s ASP 3 CO 0.00 -0.04 0.20 -0.69 1.18 0.00 0.00 175.17 175.82 1gh8 s VAL 4 N -1.72 4.19 -0.31 -1.27 1.01 -0.26 -0.65 120.40 121.39 1gh8 s VAL 4 Ca 0.46 -1.17 -0.08 0.00 0.00 0.00 0.00 61.98 61.19 1gh8 s VAL 4 Cb -0.13 -3.45 0.01 0.00 0.00 0.00 0.00 36.38 32.82 1gh8 s VAL 4 CO 0.20 -0.34 0.11 -0.69 0.00 0.00 0.00 175.10 174.38 1gh8 s VAL 5 N 1.45 4.08 0.47 2.92 1.01 -0.75 -1.97 120.40 127.62 1gh8 s VAL 5 Ca 0.01 -0.76 0.02 0.00 0.00 0.00 0.00 61.98 61.26 1gh8 s VAL 5 Cb -0.21 -3.16 0.01 0.00 0.00 0.00 0.00 36.38 33.02 1gh8 s VAL 5 CO 0.04 -0.00 0.68 0.00 0.00 0.00 0.00 175.10 175.81 1gh8 s ALA 6 N 1.50 3.94 -0.06 5.51 0.00 -0.99 -0.21 121.76 131.45 1gh8 s ALA 6 Ca 0.02 -1.27 -0.03 0.00 0.00 0.00 0.00 51.96 50.69 1gh8 s ALA 6 Cb -0.18 -2.01 0.03 0.00 0.00 0.00 0.00 23.12 20.96 1gh8 s ALA 6 CO 0.03 -0.47 0.13 0.99 0.00 0.00 0.00 175.76 176.45 1gh8 s THR 7 N -2.57 -0.04 -0.25 0.00 2.01 -0.27 -1.12 115.64 113.39 1gh8 s THR 7 Ca 0.52 0.16 0.01 0.00 0.31 0.00 0.00 61.69 62.69 1gh8 s THR 7 Cb -0.10 -0.22 0.07 0.00 0.01 0.00 0.00 72.50 72.26 1gh8 s THR 7 CO 0.37 0.07 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.70 1gh8 s ILE 8 N 1.04 1.62 -0.72 1.82 -1.09 -0.43 -2.99 121.20 120.44 1gh8 s ILE 8 Ca -0.08 -1.39 -0.17 0.00 -2.23 0.00 0.00 60.65 56.78 1gh8 s ILE 8 Cb -0.10 -1.92 0.15 0.00 -1.58 0.00 0.00 42.46 39.00 1gh8 s ILE 8 CO -0.05 -0.19 0.77 -0.54 -1.23 0.00 0.00 174.94 173.71 1gh8 s LYS 9 N 1.33 3.31 -0.03 2.79 -0.14 -1.22 -0.05 119.74 125.74 1gh8 s LYS 9 Ca -0.03 -1.81 -0.14 0.00 -1.36 0.00 0.00 55.97 52.62 1gh8 s LYS 9 Cb -0.19 -4.44 -0.05 0.00 -1.68 0.00 0.00 37.83 31.47 1gh8 s LYS 9 CO -0.08 -1.48 0.39 0.14 -0.76 0.00 0.00 175.35 173.56 1gh8 s VAL 10 N 1.74 5.10 -0.10 3.17 -7.23 -0.53 0.20 120.40 122.75 1gh8 s VAL 10 Ca 0.16 0.78 -0.04 0.00 -1.81 0.00 0.00 61.98 61.07 1gh8 s VAL 10 Cb -0.17 -3.69 0.05 0.00 0.56 0.00 0.00 36.38 33.13 1gh8 s VAL 10 CO -0.02 0.55 0.22 0.00 -0.31 0.00 0.00 175.10 175.54 1gh8 s MET 11 N -0.83 0.14 -0.08 4.82 0.23 -1.16 -0.62 119.30 121.81 1gh8 s MET 11 Ca 0.23 0.57 -0.30 0.00 -1.03 0.00 0.00 55.69 55.16 1gh8 s MET 11 Cb -0.16 -0.14 -0.04 0.00 -1.53 0.00 0.00 34.83 32.96 1gh8 s MET 11 CO 0.12 -0.22 1.41 -2.14 -2.03 0.00 0.00 175.02 172.16 1gh8 s PRO 12 N 1.76 4.24 0.46 3.16 0.02 -1.26 -1.93 135.00 141.45 1gh8 s PRO 12 Ca -0.04 1.91 0.15 0.00 0.02 0.00 0.00 61.00 63.04 1gh8 s PRO 12 Cb -0.11 -3.76 1.12 0.00 0.02 0.00 0.00 34.50 31.77 1gh8 s PRO 12 CO -0.08 -0.69 2.03 0.93 -0.33 0.00 0.00 177.00 178.86 1gh8 h GLU 13 N 8.42 0.27 -7.14 5.54 5.08 -1.06 -3.43 114.58 122.27 1gh8 h GLU 13 Ca -0.34 -0.02 -0.47 0.00 -1.00 0.00 0.00 59.36 57.54 1gh8 h GLU 13 Cb 1.15 -0.06 0.02 0.00 0.50 0.00 0.00 28.75 30.36 1gh8 h GLU 13 CO 0.94 0.18 0.37 -1.12 -1.00 0.00 0.00 179.01 178.38 1gh8 s SER 14 N -6.47 6.53 0.00 1.42 0.01 -1.26 -4.92 113.70 109.00 1gh8 s SER 14 Ca -0.07 1.70 0.11 0.00 1.31 0.00 0.00 55.95 59.01 1gh8 s SER 14 Cb 0.19 -2.53 0.62 0.00 0.21 0.00 0.00 66.02 64.50 1gh8 s SER 14 CO 0.73 -0.65 1.20 -0.81 0.41 0.00 0.00 173.24 174.12 1gh8 n PRO 15 N -1.30 0.24 -1.16 12.44 -0.04 -1.26 -3.12 135.00 140.80 1gh8 n PRO 15 Ca 0.07 0.11 -0.22 0.00 -0.04 0.00 0.00 63.50 63.42 1gh8 n PRO 15 Cb 0.54 -1.50 0.00 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 -1.17 6.58 -4.09 3.54 8.00 -1.26 -4.87 116.55 123.28 1gh8 n ASP 16 Ca 0.07 -3.18 -0.33 0.00 0.71 0.00 0.00 54.79 52.06 1gh8 n ASP 16 Cb 0.07 -1.12 -0.09 0.00 -0.02 0.00 0.00 41.12 39.96 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 1.04 -2.08 2.53 0.31 -1.18 -4.86 118.33 114.53 1gh8 n VAL 17 Ca 0.40 -1.00 -0.34 0.00 -0.01 0.00 0.00 64.34 63.39 1gh8 n VAL 17 Cb 0.57 -2.13 -0.04 0.00 -0.91 0.00 0.00 33.84 31.33 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 6.67 5.29 0.15 4.52 1.01 -1.26 -4.83 116.67 128.21 1gh8 s ASP 18 Ca 0.69 -0.15 -0.14 0.00 0.71 0.00 0.00 52.55 53.66 1gh8 s ASP 18 Cb 0.06 -2.54 0.02 0.00 1.01 0.00 0.00 42.92 41.47 1gh8 s ASP 18 CO 0.19 -2.48 1.67 0.17 0.21 0.00 0.00 175.17 174.93 1gh8 h LEU 19 N 16.76 0.70 -0.61 1.23 8.10 -1.90 0.29 115.31 139.89 1gh8 h LEU 19 Ca -0.10 -0.21 -0.13 0.00 0.11 0.00 0.00 57.88 57.55 1gh8 h LEU 19 Cb 1.09 -0.18 -0.01 0.00 -0.44 0.00 0.00 40.66 41.11 1gh8 h LEU 19 CO 1.22 0.72 -0.27 -0.08 -4.11 0.00 0.00 178.44 175.93 1gh8 h GLU 20 N 0.64 0.82 -0.39 0.17 4.57 -1.99 0.70 114.58 119.11 1gh8 h GLU 20 Ca 0.15 -0.36 -0.16 0.00 -1.18 0.00 0.00 59.36 57.82 1gh8 h GLU 20 Cb 0.28 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.84 1gh8 h GLU 20 CO -0.00 0.99 -0.37 0.00 -1.18 0.00 0.00 179.01 178.44 1gh8 h ALA 21 N 0.99 0.59 -0.03 2.92 0.00 -1.93 -2.63 119.26 119.17 1gh8 h ALA 21 Ca 0.09 -0.45 -0.08 0.00 0.00 0.00 0.00 54.91 54.46 1gh8 h ALA 21 Cb 0.80 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1gh8 h ALA 21 CO 0.07 0.68 -0.37 1.25 0.00 0.00 0.00 179.25 180.88 1gh8 h LEU 22 N 0.77 0.07 -0.43 0.00 6.46 -0.01 -2.71 115.31 119.46 1gh8 h LEU 22 Ca 0.07 -0.02 0.04 0.00 -0.12 0.00 0.00 57.88 57.85 1gh8 h LEU 22 Cb 0.96 -0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 40.83 1gh8 h LEU 22 CO 0.09 0.43 0.19 0.11 -0.62 0.00 0.00 178.44 178.64 1gh8 h LYS 23 N 0.06 0.37 -0.40 1.25 1.57 0.79 0.55 116.57 120.75 1gh8 h LYS 23 Ca 0.00 -0.02 -0.15 0.00 -1.87 0.00 0.00 60.65 58.62 1gh8 h LYS 23 Cb 0.68 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.90 1gh8 h LYS 23 CO 0.05 0.24 -0.32 1.57 -0.57 0.00 0.00 179.45 180.43 1gh8 h LYS 24 N 0.38 0.92 0.00 3.15 2.10 -1.39 -2.80 116.57 118.93 1gh8 h LYS 24 Ca 0.19 -0.46 -0.04 0.00 -2.00 0.00 0.00 60.65 58.34 1gh8 h LYS 24 Cb 0.15 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.47 1gh8 h LYS 24 CO -0.17 1.11 -0.21 0.93 -2.00 0.00 0.00 179.45 179.11 1gh8 h GLU 25 N 0.75 0.00 -0.25 0.07 5.08 -1.08 -2.81 114.58 116.34 1gh8 h GLU 25 Ca 0.07 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1gh8 h GLU 25 Cb 0.90 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 1gh8 h GLU 25 CO 0.08 0.21 0.12 0.82 -1.00 0.00 0.00 179.01 179.24 1gh8 h ILE 26 N 0.00 1.14 -0.14 3.13 2.04 0.37 -1.73 117.51 122.32 1gh8 h ILE 26 Ca -0.00 -0.42 -0.03 0.00 1.00 0.00 0.00 64.86 65.41 1gh8 h ILE 26 Cb 0.42 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 1gh8 h ILE 26 CO 0.03 0.14 -0.05 1.56 0.00 0.00 0.00 178.15 179.83 1gh8 h GLN 27 N 0.26 0.20 0.00 2.37 1.08 -1.43 -1.43 115.11 116.16 1gh8 h GLN 27 Ca 0.08 -0.03 -0.07 0.00 -1.45 0.00 0.00 58.65 57.18 1gh8 h GLN 27 Cb 0.12 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.51 1gh8 h GLN 27 CO -0.01 0.27 -0.36 0.93 -0.95 0.00 0.00 178.83 178.71 1gh8 h GLU 28 N 0.19 0.00 0.00 1.46 4.39 -1.40 -3.05 114.58 116.18 1gh8 h GLU 28 Ca 0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.74 1gh8 h GLU 28 Cb 0.22 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 1gh8 h GLU 28 CO 0.01 0.36 -0.61 2.89 -1.16 0.00 0.00 179.01 180.49 1gh8 n ARG 29 N -3.37 0.27 -1.72 2.33 1.85 -0.62 -4.91 116.66 110.48 1gh8 n ARG 29 Ca 0.01 0.08 -0.42 0.00 -1.00 0.00 0.00 57.85 56.51 1gh8 n ARG 29 Cb 0.56 -1.67 -0.01 0.00 -1.05 0.00 0.00 32.46 30.28 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 -2.06 1.46 -1.69 8.89 2.08 -0.71 -4.77 119.36 122.56 1gh8 n ILE 30 Ca 0.03 -0.36 -0.59 0.00 0.56 0.00 0.00 62.75 62.39 1gh8 n ILE 30 Cb 0.43 -1.76 -0.08 0.00 -0.75 0.00 0.00 39.64 37.48 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 1.36 0.81 0.00 0.38 -0.04 -1.26 -4.76 135.00 131.49 1gh8 n PRO 31 Ca 0.07 0.30 0.00 0.00 -0.04 0.00 0.00 63.50 63.82 1gh8 n PRO 31 Cb 0.36 -1.92 0.00 0.00 -0.04 0.00 0.00 33.50 31.90 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 4.44 0.00 0.08 0.54 1.02 -1.26 -1.80 120.64 123.67 1gh8 n GLU 32 Ca 0.26 0.21 -0.23 0.00 -0.02 0.00 0.00 57.16 57.38 1gh8 n GLU 32 Cb 0.09 -1.53 -0.15 0.00 -0.02 0.00 0.00 31.44 29.83 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 0.46 0.00 0.62 0.00 -1.84 -3.48 103.07 98.83 1gh8 h GLY 33 Ca 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 47.33 46.16 1gh8 h GLY 33 CO 0.00 1.03 0.00 2.41 0.00 0.00 0.00 176.54 179.98 1gh8 n THR 34 N -3.78 0.00 -4.30 4.70 -1.04 -0.74 -4.78 114.28 104.34 1gh8 n THR 34 Ca -0.21 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.61 1gh8 n THR 34 Cb 1.01 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 69.44 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 3.04 1.69 0.93 -2.82 -1.05 -1.26 -4.74 118.70 114.48 1gh8 s GLU 35 Ca 0.00 -1.98 -0.16 0.00 -0.15 0.00 0.00 54.97 52.69 1gh8 s GLU 35 Cb 0.00 0.19 0.22 0.00 -0.44 0.00 0.00 34.13 34.10 1gh8 s GLU 35 CO 0.00 -0.58 1.02 1.47 0.95 0.00 0.00 175.26 178.12 1gh8 n LEU 36 N -0.60 0.00 0.00 1.83 -0.00 -1.26 -2.93 117.00 114.03 1gh8 n LEU 36 Ca 0.05 -1.10 0.00 0.00 -0.00 0.00 0.00 56.01 54.96 1gh8 n LEU 36 Cb 0.63 -0.85 0.00 0.00 -0.00 0.00 0.00 43.42 43.20 1gh8 n LEU 36 CO 0.33 -1.64 0.00 1.57 -0.00 0.00 0.00 177.39 177.65 1gh8 n HIS 37 N -4.01 0.00 -3.63 1.47 -0.00 0.29 -3.25 115.22 106.09 1gh8 n HIS 37 Ca 0.13 0.00 -0.03 0.00 0.46 0.00 0.00 57.72 58.28 1gh8 n HIS 37 Cb 0.49 0.24 -0.06 0.00 -0.12 0.00 0.00 29.99 30.55 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 -0.88 0.59 0.40 1.57 -0.14 -1.24 -4.96 119.74 115.09 1gh8 s LYS 38 Ca 0.00 1.23 -0.01 0.00 -1.36 0.00 0.00 55.97 55.83 1gh8 s LYS 38 Cb 0.00 0.46 -0.03 0.00 -1.68 0.00 0.00 37.83 36.58 1gh8 s LYS 38 CO 0.00 -0.16 0.63 0.42 -0.76 0.00 0.00 175.35 175.48 1gh8 s ILE 39 N 2.19 4.92 -0.09 2.17 1.01 -1.25 -2.20 121.20 127.95 1gh8 s ILE 39 Ca -0.08 -0.27 0.01 0.00 0.00 0.00 0.00 60.65 60.31 1gh8 s ILE 39 Cb -0.08 -3.82 0.02 0.00 0.01 0.00 0.00 42.46 38.59 1gh8 s ILE 39 CO -0.19 -0.62 -0.10 -0.62 0.00 0.00 0.00 174.94 173.41 1gh8 s ASP 40 N -4.08 1.96 -1.34 3.58 2.15 -0.63 -4.85 116.67 113.47 1gh8 s ASP 40 Ca 0.43 -0.30 -0.12 0.00 0.43 0.00 0.00 52.55 52.99 1gh8 s ASP 40 Cb -0.10 -0.83 0.12 0.00 -0.30 0.00 0.00 42.92 41.81 1gh8 s ASP 40 CO 0.39 -0.04 1.94 -1.84 -0.17 0.00 0.00 175.17 175.44 1gh8 n GLU 41 N 4.38 3.30 -3.70 4.34 0.28 -1.26 -1.01 120.64 126.97 1gh8 n GLU 41 Ca -0.18 -3.23 -0.36 0.00 -0.16 0.00 0.00 57.16 53.23 1gh8 n GLU 41 Cb 0.51 -3.11 -0.07 0.00 1.43 0.00 0.00 31.44 30.20 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 1.80 3.92 0.40 3.44 2.02 -0.26 -4.93 118.70 125.09 1gh8 s GLU 42 Ca 0.44 -0.02 -0.10 0.00 0.02 0.00 0.00 54.97 55.31 1gh8 s GLU 42 Cb 0.09 -3.32 -0.06 0.00 0.10 0.00 0.00 34.13 30.94 1gh8 s GLU 42 CO -0.02 0.50 0.76 -1.25 0.02 0.00 0.00 175.26 175.27 1gh8 s PRO 43 N -0.27 3.76 0.00 0.39 0.04 -1.26 0.14 135.00 137.80 1gh8 s PRO 43 Ca 0.15 0.43 0.00 0.00 0.04 0.00 0.00 61.00 61.62 1gh8 s PRO 43 Cb -0.13 -2.40 0.00 0.00 0.04 0.00 0.00 34.50 32.01 1gh8 s PRO 43 CO 0.04 -0.03 0.00 -0.89 0.04 0.00 0.00 177.00 176.15 1gh8 n ILE 44 N -1.33 0.00 0.00 0.56 2.08 0.16 -4.75 119.36 116.08 1gh8 n ILE 44 Ca 0.02 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.33 1gh8 n ILE 44 Cb 0.54 -0.29 0.00 0.00 -0.75 0.00 0.00 39.64 39.14 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 -1.55 0.00 0.17 -1.39 0.00 -1.11 -4.88 120.51 111.75 1gh8 n ALA 45 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 1gh8 n ALA 45 Cb 0.00 0.00 0.27 0.00 0.00 0.00 0.00 19.45 19.72 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 -0.20 0.00 0.00 0.00 0.04 -2.03 -3.38 116.94 111.37 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 0.47 0.00 0.41 -0.60 0.00 0.00 178.31 178.59 1gh8 n GLY 47 N 0.17 0.14 3.42 -1.45 0.00 -1.26 -5.05 105.19 101.16 1gh8 n GLY 47 Ca -0.01 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.57 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 4.95 -0.14 0.99 1.43 -1.26 -4.89 118.68 119.75 1gh8 s LEU 48 Ca 0.00 -1.15 -0.17 0.00 -1.03 0.00 0.00 54.13 51.79 1gh8 s LEU 48 Cb 0.00 -2.39 -0.04 0.00 0.03 0.00 0.00 46.19 43.78 1gh8 s LEU 48 CO 0.00 -1.18 0.42 -0.69 0.23 0.00 0.00 176.35 175.13 1gh8 s VAL 49 N 3.15 5.22 0.38 -1.59 1.01 -1.26 -0.67 120.40 126.65 1gh8 s VAL 49 Ca 0.16 0.81 0.02 0.00 0.00 0.00 0.00 61.98 62.97 1gh8 s VAL 49 Cb -0.20 -3.75 -0.02 0.00 0.00 0.00 0.00 36.38 32.41 1gh8 s VAL 49 CO 0.09 0.33 0.58 0.00 0.00 0.00 0.00 175.10 176.10 1gh8 s ALA 50 N 0.68 3.84 -0.17 5.51 0.00 0.38 -4.74 121.76 127.25 1gh8 s ALA 50 Ca 0.22 -1.10 0.01 0.00 0.00 0.00 0.00 51.96 51.10 1gh8 s ALA 50 Cb -0.14 -2.02 0.02 0.00 0.00 0.00 0.00 23.12 20.98 1gh8 s ALA 50 CO 0.08 -0.17 -0.19 -0.51 0.00 0.00 0.00 175.76 174.97 1gh8 s LEU 51 N -4.38 2.08 -0.88 0.00 1.02 0.21 -1.11 118.68 115.63 1gh8 s LEU 51 Ca 0.44 -0.63 -0.19 0.00 0.02 0.00 0.00 54.13 53.77 1gh8 s LEU 51 Cb -0.10 -1.44 0.12 0.00 0.02 0.00 0.00 46.19 44.79 1gh8 s LEU 51 CO 0.35 -0.00 1.08 0.20 0.02 0.00 0.00 176.35 178.01 1gh8 s ASN 52 N 1.29 6.55 -0.53 2.29 0.02 -0.18 -1.46 114.94 122.92 1gh8 s ASN 52 Ca 0.04 -1.89 -0.24 0.00 -1.02 0.00 0.00 52.86 49.75 1gh8 s ASN 52 Cb -0.13 -2.40 0.04 0.00 0.02 0.00 0.00 41.25 38.78 1gh8 s ASN 52 CO -0.12 -1.11 0.91 -0.69 0.02 0.00 0.00 177.10 176.11 1gh8 s VAL 53 N 2.83 4.44 0.61 1.60 1.01 0.93 -1.60 120.40 130.22 1gh8 s VAL 53 Ca 0.30 0.28 -0.06 0.00 0.00 0.00 0.00 61.98 62.50 1gh8 s VAL 53 Cb -0.07 -4.50 0.01 0.00 0.00 0.00 0.00 36.38 31.82 1gh8 s VAL 53 CO -0.06 -1.05 0.93 -0.04 0.00 0.00 0.00 175.10 174.88 1gh8 s MET 54 N 3.81 2.85 -0.02 2.72 -1.94 -0.93 -1.32 119.30 124.47 1gh8 s MET 54 Ca 0.30 0.01 -0.00 0.00 -1.71 0.00 0.00 55.69 54.29 1gh8 s MET 54 Cb -0.13 -2.24 0.02 0.00 2.01 0.00 0.00 34.83 34.49 1gh8 s MET 54 CO 0.20 -0.78 0.03 0.14 -0.01 0.00 0.00 175.02 174.59 1gh8 s VAL 55 N -3.05 -0.03 -0.37 -6.03 -7.23 -0.28 0.10 120.40 103.51 1gh8 s VAL 55 Ca 0.55 0.12 -0.16 0.00 -1.81 0.00 0.00 61.98 60.68 1gh8 s VAL 55 Cb -0.11 -0.06 0.00 0.00 0.56 0.00 0.00 36.38 36.77 1gh8 s VAL 55 CO 0.46 0.05 0.41 -0.69 -0.31 0.00 0.00 175.10 175.02 1gh8 s VAL 56 N 0.62 5.12 0.03 1.32 1.01 -1.15 -2.35 120.40 124.99 1gh8 s VAL 56 Ca -0.05 -0.07 0.05 0.00 0.00 0.00 0.00 61.98 61.90 1gh8 s VAL 56 Cb -0.07 -3.92 -0.02 0.00 0.00 0.00 0.00 36.38 32.36 1gh8 s VAL 56 CO -0.02 -0.24 -0.14 0.68 0.00 0.00 0.00 175.10 175.39 1gh8 s VAL 57 N 2.11 1.06 0.19 2.92 -7.23 -0.83 -4.36 120.40 114.25 1gh8 s VAL 57 Ca 0.13 -0.91 0.00 0.00 -1.81 0.00 0.00 61.98 59.39 1gh8 s VAL 57 Cb -0.17 -0.96 0.00 0.00 0.56 0.00 0.00 36.38 35.82 1gh8 s VAL 57 CO 0.13 0.04 0.00 0.61 -0.31 0.00 0.00 175.10 175.57 1gh8 n GLY 58 N 2.05 -1.75 0.01 2.32 0.00 -1.26 -1.10 105.19 105.45 1gh8 n GLY 58 Ca -0.17 0.51 0.14 0.00 0.00 0.00 0.00 46.02 46.50 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 -2.88 0.08 -2.88 1.61 5.75 -1.26 -4.79 116.55 112.17 1gh8 n ASP 59 Ca 0.00 0.11 0.00 0.00 -0.01 0.00 0.00 54.79 54.89 1gh8 n ASP 59 Cb 0.00 -0.33 0.00 0.00 -1.03 0.00 0.00 41.12 39.76 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 -1.37 0.00 -3.00 2.12 0.00 -1.26 -5.11 120.51 111.89 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 -5.00 120.64 114.64 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 -0.43 0.00 -1.84 0.00 -1.26 -3.77 105.19 97.89 1gh8 n GLY 62 Ca 0.00 -0.03 0.08 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 0.44 -0.67 0.00 -0.02 0.00 -1.26 -2.45 105.19 101.23 1gh8 n GLY 63 Ca 0.01 -0.09 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 -1.15 0.33 0.20 2.61 -2.24 -1.25 -2.91 114.28 109.87 1gh8 n THR 64 Ca 0.10 0.08 0.18 0.00 -2.27 0.00 0.00 64.05 62.14 1gh8 n THR 64 Cb 0.09 -0.73 0.82 0.00 -2.10 0.00 0.00 70.33 68.42 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 -0.15 -0.78 -0.00 -1.82 0.07 114.58 111.89 1gh8 h GLU 65 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 59.36 59.40 1gh8 h GLU 65 Cb 0.19 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 28.94 1gh8 h GLU 65 CO 0.00 0.00 0.17 0.00 -0.00 0.00 0.00 179.01 179.18 1gh8 h ALA 66 N 1.62 1.75 0.71 1.06 0.00 -1.83 -2.09 119.26 120.49 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 0.68 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.49 1gh8 h ALA 66 CO -0.00 -0.25 -0.34 0.00 0.00 0.00 0.00 179.25 178.65 1gh8 h ALA 67 N 1.80 -0.96 -0.41 0.00 0.00 -1.26 0.13 119.26 118.57 1gh8 h ALA 67 Ca 0.07 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.79 1gh8 h ALA 67 Cb 0.42 0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1gh8 h ALA 67 CO -0.00 -1.02 0.27 0.93 0.00 0.00 0.00 179.25 179.43 1gh8 h GLU 68 N -1.00 0.47 0.20 0.00 5.08 -1.59 -1.31 114.58 116.45 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 0.74 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.89 1gh8 h GLU 68 CO 0.16 0.31 -0.10 0.93 -1.00 0.00 0.00 179.01 179.31 1gh8 h GLU 69 N 0.48 -0.26 0.00 2.33 4.39 -0.88 -1.96 114.58 118.68 1gh8 h GLU 69 Ca 0.16 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.88 1gh8 h GLU 69 Cb 0.05 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 1gh8 h GLU 69 CO -0.04 -0.13 0.00 1.03 -1.16 0.00 0.00 179.01 178.71 1gh8 h SER 70 N -0.33 0.00 0.75 1.42 0.87 -0.13 -1.63 113.55 114.50 1gh8 h SER 70 Ca -0.03 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.42 1gh8 h SER 70 Cb 0.25 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.20 1gh8 h SER 70 CO 0.05 0.00 -0.51 -0.07 -0.53 0.00 0.00 176.83 175.77 1gh8 h LEU 71 N 0.00 0.00 -1.25 2.23 -0.00 -0.48 0.66 115.31 116.47 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 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.85 1gh8 h LEU 71 CO 0.00 0.51 0.00 0.77 -0.00 0.00 0.00 178.44 179.72 1gh8 h SER 72 N 0.00 0.00 0.00 -0.43 4.64 -1.00 -3.01 113.55 113.74 1gh8 h SER 72 Ca -0.01 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.17 1gh8 h SER 72 Cb 1.02 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 62.89 1gh8 h SER 72 CO 0.07 0.00 -0.59 0.61 -0.87 0.00 0.00 176.83 176.05 1gh8 n GLY 73 N -0.81 0.72 0.00 -0.77 0.00 -1.00 -5.13 105.19 98.20 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 -1.52 -0.61 0.13 0.23 -4.75 119.36 113.04 1gh8 n ILE 74 Ca -0.12 0.00 -0.16 0.00 -1.10 0.00 0.00 62.75 61.37 1gh8 n ILE 74 Cb 0.87 -1.31 -0.13 0.00 -0.84 0.00 0.00 39.64 38.23 1gh8 n ILE 74 CO 0.00 0.00 0.00 -1.84 2.80 0.00 0.00 176.55 177.51 1gh8 n GLU 75 N -0.68 0.30 0.27 9.51 0.00 -1.26 -4.72 120.64 124.05 1gh8 n GLU 75 Ca 0.00 -0.54 0.13 0.00 0.00 0.00 0.00 57.16 56.75 1gh8 n GLU 75 Cb 0.00 -2.59 0.81 0.00 0.00 0.00 0.00 31.44 29.66 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 17.73 0.00 1.15 -1.84 0.00 -1.96 -1.62 103.07 116.53 1gh8 h GLY 76 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.04 1gh8 h GLY 76 CO 1.24 0.00 -1.60 -0.24 0.00 0.00 0.00 176.54 175.94 1gh8 h VAL 77 N 0.00 1.05 -3.22 4.60 3.04 -1.94 -3.41 116.25 116.37 1gh8 h VAL 77 Ca 0.02 -2.75 -0.75 0.00 -1.01 0.00 0.00 66.70 62.20 1gh8 h VAL 77 Cb 0.09 2.66 -0.23 0.00 -2.01 0.00 0.00 31.29 31.80 1gh8 h VAL 77 CO -0.00 0.77 0.44 -0.44 -1.01 0.00 0.00 177.57 177.33 1gh8 s SER 78 N -6.78 6.76 0.03 3.17 0.01 -0.61 -0.34 113.70 115.94 1gh8 s SER 78 Ca -0.09 -2.52 -0.30 0.00 1.31 0.00 0.00 55.95 54.34 1gh8 s SER 78 Cb 0.07 -2.29 -0.05 0.00 0.21 0.00 0.00 66.02 63.97 1gh8 s SER 78 CO 0.83 -0.74 1.19 0.21 0.41 0.00 0.00 173.24 175.14 1gh8 s ASN 79 N 2.68 7.08 0.04 2.44 3.04 -0.81 -4.38 114.94 125.03 1gh8 s ASN 79 Ca 0.25 1.96 -0.00 0.00 0.04 0.00 0.00 52.86 55.10 1gh8 s ASN 79 Cb -0.08 -2.57 -0.04 0.00 -1.54 0.00 0.00 41.25 37.02 1gh8 s ASN 79 CO -0.09 -0.49 0.18 -0.63 -3.04 0.00 0.00 177.10 173.03 1gh8 s ILE 80 N 1.34 5.23 -1.34 -5.21 1.09 -1.26 -2.98 121.20 118.07 1gh8 s ILE 80 Ca 0.58 -0.40 -0.12 0.00 -1.10 0.00 0.00 60.65 59.61 1gh8 s ILE 80 Cb -0.28 -3.51 0.12 0.00 -1.06 0.00 0.00 42.46 37.73 1gh8 s ILE 80 CO 0.28 0.19 1.95 1.21 -0.10 0.00 0.00 174.94 178.47 1gh8 n GLU 81 N 0.51 3.32 -1.02 2.79 4.07 0.13 -4.82 120.64 125.63 1gh8 n GLU 81 Ca -0.07 -3.23 -0.13 0.00 -0.06 0.00 0.00 57.16 53.66 1gh8 n GLU 81 Cb 0.52 -3.09 -0.16 0.00 -0.06 0.00 0.00 31.44 28.64 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 4.19 3.06 -0.65 6.31 0.31 -1.26 -3.37 118.33 126.93 1gh8 n VAL 82 Ca 0.44 -1.55 0.00 0.00 -0.01 0.00 0.00 64.34 63.22 1gh8 n VAL 82 Cb 0.38 -2.02 0.00 0.00 -0.91 0.00 0.00 33.84 31.29 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 2.54 0.25 -3.03 2.52 -1.04 -1.26 -5.07 114.28 109.19 1gh8 n THR 83 Ca 0.45 -0.30 -0.40 0.00 -2.04 0.00 0.00 64.05 61.76 1gh8 n THR 83 Cb 0.89 1.06 -0.05 0.00 -1.82 0.00 0.00 70.33 70.41 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 -0.25 7.12 -0.03 8.00 -1.08 -1.16 -5.03 116.67 124.23 1gh8 s ASP 84 Ca 0.00 1.33 -0.11 0.00 -0.52 0.00 0.00 52.55 53.26 1gh8 s ASP 84 Cb 0.00 -2.44 0.02 0.00 -1.46 0.00 0.00 42.92 39.04 1gh8 s ASP 84 CO 0.00 -0.01 0.24 -0.69 0.52 0.00 0.00 175.17 175.22 1gh8 s VAL 85 N 0.17 0.05 -0.43 1.11 1.01 -1.26 -1.11 120.40 119.94 1gh8 s VAL 85 Ca 0.37 -0.43 0.04 0.00 0.00 0.00 0.00 61.98 61.97 1gh8 s VAL 85 Cb -0.19 -0.49 0.17 0.00 0.00 0.00 0.00 36.38 35.87 1gh8 s VAL 85 CO 0.21 -0.24 0.43 -0.60 0.00 0.00 0.00 175.10 174.90 1gh8 s ARG 86 N -0.98 0.90 -0.54 2.72 3.52 0.70 -4.92 118.95 120.35 1gh8 s ARG 86 Ca -0.11 -1.70 -0.28 0.00 -0.13 0.00 0.00 55.73 53.51 1gh8 s ARG 86 Cb -0.05 -1.02 0.03 0.00 -1.56 0.00 0.00 34.95 32.35 1gh8 s ARG 86 CO 0.02 -1.35 1.13 1.03 -0.81 0.00 0.00 175.30 175.33 1gh8 s ARG 87 N 0.44 3.56 -1.06 5.12 0.52 -1.26 -1.81 118.95 124.46 1gh8 s ARG 87 Ca 0.30 0.29 -0.19 0.00 -0.52 0.00 0.00 55.73 55.61 1gh8 s ARG 87 Cb -0.00 -3.98 0.11 0.00 0.52 0.00 0.00 34.95 31.60 1gh8 s ARG 87 CO -0.14 -1.54 1.34 -0.51 0.02 0.00 0.00 175.30 174.48 1gh8 s LEU 88 N 4.61 4.53 0.00 2.53 1.43 0.18 -4.97 118.68 127.00 1gh8 s LEU 88 Ca 0.43 -2.16 0.27 0.00 -1.03 0.00 0.00 54.13 51.64 1gh8 s LEU 88 Cb -0.08 -2.46 0.84 0.00 0.03 0.00 0.00 46.19 44.52 1gh8 s LEU 88 CO 0.27 -1.11 1.63 0.23 0.23 0.00 0.00 176.35 177.59