#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 0.70 3.94 3.03 0.00 0.43 -4.36 105.19 108.93 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 5.98 -0.17 1.61 1.01 -0.46 -4.83 116.67 119.81 1gh8 s ASP 3 Ca 0.00 0.49 -0.05 0.00 0.71 0.00 0.00 52.55 53.69 1gh8 s ASP 3 Cb 0.00 -1.79 -0.03 0.00 1.01 0.00 0.00 42.92 42.11 1gh8 s ASP 3 CO 0.00 -0.64 0.00 -0.69 0.21 0.00 0.00 175.17 174.06 1gh8 s VAL 4 N -2.59 4.18 -0.21 -1.27 1.01 -0.06 -0.26 120.40 121.20 1gh8 s VAL 4 Ca 0.47 -0.25 0.01 0.00 0.00 0.00 0.00 61.98 62.21 1gh8 s VAL 4 Cb -0.10 -2.86 0.03 0.00 0.00 0.00 0.00 36.38 33.45 1gh8 s VAL 4 CO 0.40 0.47 -0.16 -0.69 0.00 0.00 0.00 175.10 175.11 1gh8 s VAL 5 N 0.49 2.18 0.51 2.92 1.01 0.38 -0.99 120.40 126.90 1gh8 s VAL 5 Ca -0.01 -1.15 -0.00 0.00 0.00 0.00 0.00 61.98 60.82 1gh8 s VAL 5 Cb -0.14 -2.04 0.02 0.00 0.00 0.00 0.00 36.38 34.22 1gh8 s VAL 5 CO 0.02 0.34 0.75 0.00 0.00 0.00 0.00 175.10 176.21 1gh8 s ALA 6 N 1.24 3.75 -0.05 5.51 0.00 -0.89 0.74 121.76 132.06 1gh8 s ALA 6 Ca 0.00 -1.13 -0.02 0.00 0.00 0.00 0.00 51.96 50.82 1gh8 s ALA 6 Cb -0.15 -2.17 0.03 0.00 0.00 0.00 0.00 23.12 20.83 1gh8 s ALA 6 CO -0.10 -0.60 0.10 0.99 0.00 0.00 0.00 175.76 176.15 1gh8 s THR 7 N -2.70 -0.05 -0.28 0.00 2.01 0.19 -0.86 115.64 113.95 1gh8 s THR 7 Ca 0.53 0.18 0.03 0.00 0.31 0.00 0.00 61.69 62.74 1gh8 s THR 7 Cb -0.10 -0.18 0.07 0.00 0.01 0.00 0.00 72.50 72.30 1gh8 s THR 7 CO 0.39 0.07 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.72 1gh8 s ILE 8 N 1.06 2.01 -0.68 1.82 -1.09 -0.43 -2.97 121.20 120.92 1gh8 s ILE 8 Ca -0.08 -1.75 -0.17 0.00 -2.23 0.00 0.00 60.65 56.42 1gh8 s ILE 8 Cb -0.11 -2.27 0.14 0.00 -1.58 0.00 0.00 42.46 38.64 1gh8 s ILE 8 CO -0.05 -0.24 0.72 -0.54 -1.23 0.00 0.00 174.94 173.61 1gh8 s LYS 9 N 1.13 3.25 -0.04 2.79 -0.14 -1.21 -0.17 119.74 125.34 1gh8 s LYS 9 Ca -0.02 -1.78 -0.15 0.00 -1.36 0.00 0.00 55.97 52.67 1gh8 s LYS 9 Cb -0.19 -4.40 -0.05 0.00 -1.68 0.00 0.00 37.83 31.51 1gh8 s LYS 9 CO -0.07 -1.45 0.40 0.14 -0.76 0.00 0.00 175.35 173.60 1gh8 s VAL 10 N 1.74 5.10 -0.11 3.17 -7.23 -0.58 0.10 120.40 122.59 1gh8 s VAL 10 Ca 0.14 0.80 -0.05 0.00 -1.81 0.00 0.00 61.98 61.06 1gh8 s VAL 10 Cb -0.20 -3.71 0.05 0.00 0.56 0.00 0.00 36.38 33.09 1gh8 s VAL 10 CO -0.01 0.52 0.24 0.00 -0.31 0.00 0.00 175.10 175.54 1gh8 s MET 11 N -0.63 0.15 -0.12 4.82 0.00 -1.14 -0.72 119.30 121.66 1gh8 s MET 11 Ca 0.23 0.63 -0.29 0.00 0.00 0.00 0.00 55.69 56.25 1gh8 s MET 11 Cb -0.16 -0.11 -0.03 0.00 0.00 0.00 0.00 34.83 34.54 1gh8 s MET 11 CO 0.11 -0.24 1.35 -2.14 0.00 0.00 0.00 175.02 174.10 1gh8 s PRO 12 N 1.95 4.24 0.49 3.16 0.02 -1.26 -2.15 135.00 141.45 1gh8 s PRO 12 Ca -0.03 1.80 0.19 0.00 0.02 0.00 0.00 61.00 62.98 1gh8 s PRO 12 Cb -0.11 -3.77 1.21 0.00 0.02 0.00 0.00 34.50 31.84 1gh8 s PRO 12 CO -0.08 -0.70 2.02 0.93 -0.33 0.00 0.00 177.00 178.84 1gh8 h GLU 13 N 8.38 0.17 -7.20 5.54 5.08 -1.15 -3.43 114.58 121.97 1gh8 h GLU 13 Ca -0.31 -0.01 -0.48 0.00 -1.00 0.00 0.00 59.36 57.56 1gh8 h GLU 13 Cb 1.13 -0.04 0.03 0.00 0.50 0.00 0.00 28.75 30.37 1gh8 h GLU 13 CO 0.95 0.11 0.38 -1.54 -1.00 0.00 0.00 179.01 177.91 1gh8 s SER 14 N -6.39 6.35 0.00 1.42 1.04 -1.26 -4.93 113.70 109.93 1gh8 s SER 14 Ca -0.06 1.63 0.15 0.00 0.48 0.00 0.00 55.95 58.15 1gh8 s SER 14 Cb 0.19 -2.51 0.81 0.00 0.10 0.00 0.00 66.02 64.61 1gh8 s SER 14 CO 0.73 -0.78 1.34 -0.81 0.98 0.00 0.00 173.24 174.70 1gh8 n PRO 15 N -1.78 0.35 -1.00 4.02 -0.04 -1.26 -3.20 135.00 132.08 1gh8 n PRO 15 Ca 0.07 0.07 -0.19 0.00 -0.04 0.00 0.00 63.50 63.41 1gh8 n PRO 15 Cb 0.54 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.53 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 -1.13 6.57 -4.35 3.54 8.00 -1.26 -4.87 116.55 123.05 1gh8 n ASP 16 Ca 0.09 -3.14 -0.28 0.00 0.71 0.00 0.00 54.79 52.18 1gh8 n ASP 16 Cb 0.08 -1.07 -0.08 0.00 -0.02 0.00 0.00 41.12 40.02 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 0.32 1.14 -2.03 2.53 0.31 -1.19 -4.86 118.33 114.53 1gh8 n VAL 17 Ca 0.35 -1.14 -0.32 0.00 -0.01 0.00 0.00 64.34 63.21 1gh8 n VAL 17 Cb 0.58 -2.12 -0.04 0.00 -0.91 0.00 0.00 33.84 31.35 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 6.96 5.17 0.14 4.52 1.47 -1.26 -4.82 116.67 128.86 1gh8 s ASP 18 Ca 0.71 -0.14 -0.15 0.00 1.18 0.00 0.00 52.55 54.15 1gh8 s ASP 18 Cb 0.02 -2.54 0.01 0.00 -0.34 0.00 0.00 42.92 40.06 1gh8 s ASP 18 CO 0.17 -2.58 1.67 0.17 0.68 0.00 0.00 175.17 175.28 1gh8 h LEU 19 N 17.26 0.64 -0.47 2.11 8.10 -1.89 0.29 115.31 141.34 1gh8 h LEU 19 Ca -0.08 -0.20 -0.14 0.00 0.11 0.00 0.00 57.88 57.57 1gh8 h LEU 19 Cb 1.09 -0.17 -0.01 0.00 -0.44 0.00 0.00 40.66 41.13 1gh8 h LEU 19 CO 1.21 0.66 -0.24 -0.08 -4.11 0.00 0.00 178.44 175.88 1gh8 h GLU 20 N 0.57 0.99 -0.19 0.17 4.57 -2.00 0.56 114.58 119.26 1gh8 h GLU 20 Ca 0.14 -0.44 -0.15 0.00 -1.18 0.00 0.00 59.36 57.73 1gh8 h GLU 20 Cb 0.25 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.80 1gh8 h GLU 20 CO -0.01 1.12 -0.52 0.00 -1.18 0.00 0.00 179.01 178.42 1gh8 h ALA 21 N 0.85 0.75 -0.11 2.92 0.00 -1.94 -2.75 119.26 118.99 1gh8 h ALA 21 Ca 0.10 -0.50 -0.07 0.00 0.00 0.00 0.00 54.91 54.45 1gh8 h ALA 21 Cb 0.83 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1gh8 h ALA 21 CO 0.07 0.68 -0.25 1.25 0.00 0.00 0.00 179.25 181.00 1gh8 h LEU 22 N 0.41 0.18 -0.58 0.00 5.85 -0.10 -2.73 115.31 118.34 1gh8 h LEU 22 Ca 0.01 -0.05 0.06 0.00 0.84 0.00 0.00 57.88 58.74 1gh8 h LEU 22 Cb 1.05 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.97 1gh8 h LEU 22 CO 0.10 0.44 0.29 0.11 -0.34 0.00 0.00 178.44 179.04 1gh8 h LYS 23 N 0.17 0.52 -0.36 1.25 1.57 -0.58 0.55 116.57 119.69 1gh8 h LYS 23 Ca 0.03 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.70 1gh8 h LYS 23 Cb 0.54 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 1gh8 h LYS 23 CO 0.04 0.34 -0.06 0.87 -0.57 0.00 0.00 179.45 180.07 1gh8 h LYS 24 N 0.53 0.68 0.00 3.15 1.57 -1.48 -2.77 116.57 118.25 1gh8 h LYS 24 Ca 0.27 -0.25 -0.04 0.00 -1.87 0.00 0.00 60.65 58.75 1gh8 h LYS 24 Cb 0.21 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1gh8 h LYS 24 CO -0.20 0.82 -0.21 0.93 -0.57 0.00 0.00 179.45 180.22 1gh8 h GLU 25 N 0.48 0.00 -0.31 3.15 5.08 -1.09 -2.92 114.58 118.98 1gh8 h GLU 25 Ca 0.09 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 1gh8 h GLU 25 Cb 0.56 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 1gh8 h GLU 25 CO 0.03 0.21 0.16 0.82 -1.00 0.00 0.00 179.01 179.24 1gh8 h ILE 26 N 0.00 1.14 -0.15 3.13 2.04 0.37 -2.33 117.51 121.71 1gh8 h ILE 26 Ca -0.00 -0.37 -0.03 0.00 1.00 0.00 0.00 64.86 65.45 1gh8 h ILE 26 Cb 0.46 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 1gh8 h ILE 26 CO 0.03 0.14 -0.06 1.56 0.00 0.00 0.00 178.15 179.82 1gh8 h GLN 27 N 0.37 0.23 0.00 2.37 1.08 -1.45 -1.64 115.11 116.06 1gh8 h GLN 27 Ca 0.11 -0.04 -0.03 0.00 -1.45 0.00 0.00 58.65 57.23 1gh8 h GLN 27 Cb 0.08 -0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 27.46 1gh8 h GLN 27 CO -0.02 0.31 -0.16 0.93 -0.95 0.00 0.00 178.83 178.94 1gh8 h GLU 28 N 0.22 0.00 0.00 1.46 4.39 -1.45 -2.98 114.58 116.22 1gh8 h GLU 28 Ca 0.05 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1gh8 h GLU 28 Cb 0.26 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 1gh8 h GLU 28 CO 0.01 0.16 -0.94 2.89 -1.16 0.00 0.00 179.01 179.97 1gh8 n ARG 29 N -3.25 0.52 -1.72 2.33 1.85 -0.68 -4.93 116.66 110.79 1gh8 n ARG 29 Ca 0.01 0.10 -0.43 0.00 -1.00 0.00 0.00 57.85 56.54 1gh8 n ARG 29 Cb 0.44 -1.78 -0.01 0.00 -1.05 0.00 0.00 32.46 30.06 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 -2.51 1.49 -1.67 8.89 2.08 -0.85 -4.67 119.36 122.12 1gh8 n ILE 30 Ca 0.01 -0.37 -0.56 0.00 0.56 0.00 0.00 62.75 62.38 1gh8 n ILE 30 Cb 0.52 -1.72 -0.07 0.00 -0.75 0.00 0.00 39.64 37.62 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 1.31 1.23 0.00 0.38 -0.04 -1.26 -4.78 135.00 131.84 1gh8 n PRO 31 Ca 0.07 0.44 0.00 0.00 -0.04 0.00 0.00 63.50 63.97 1gh8 n PRO 31 Cb 0.36 -2.19 0.00 0.00 -0.04 0.00 0.00 33.50 31.63 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 5.90 0.00 0.06 0.54 2.13 -1.26 -1.79 120.64 126.22 1gh8 n GLU 32 Ca 0.28 0.21 -0.16 0.00 0.66 0.00 0.00 57.16 58.15 1gh8 n GLU 32 Cb 0.15 -1.53 -0.14 0.00 0.27 0.00 0.00 31.44 30.20 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 0.26 0.00 8.31 0.00 -1.84 -3.49 103.07 106.31 1gh8 h GLY 33 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 47.33 46.67 1gh8 h GLY 33 CO 0.00 0.58 0.00 2.41 0.00 0.00 0.00 176.54 179.53 1gh8 n THR 34 N -3.44 0.00 -4.28 4.70 -1.04 -0.74 -4.73 114.28 104.75 1gh8 n THR 34 Ca -0.14 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.71 1gh8 n THR 34 Cb 1.03 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 69.45 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 2.40 1.40 0.69 -2.82 2.02 -1.26 -4.82 118.70 116.31 1gh8 s GLU 35 Ca 0.00 -1.76 -0.12 0.00 0.02 0.00 0.00 54.97 53.11 1gh8 s GLU 35 Cb 0.00 -0.03 0.16 0.00 0.10 0.00 0.00 34.13 34.36 1gh8 s GLU 35 CO 0.00 -0.37 0.77 1.47 0.02 0.00 0.00 175.26 177.15 1gh8 n LEU 36 N -0.43 0.00 0.00 1.80 -0.00 -1.26 -2.44 117.00 114.66 1gh8 n LEU 36 Ca 0.01 -0.83 0.00 0.00 -0.00 0.00 0.00 56.01 55.19 1gh8 n LEU 36 Cb 0.66 -0.64 0.00 0.00 -0.00 0.00 0.00 43.42 43.44 1gh8 n LEU 36 CO 0.35 -1.39 0.00 1.57 -0.00 0.00 0.00 177.39 177.92 1gh8 n HIS 37 N -3.54 0.00 -3.64 1.47 -0.00 0.23 -3.17 115.22 106.58 1gh8 n HIS 37 Ca 0.10 0.00 -0.06 0.00 0.46 0.00 0.00 57.72 58.22 1gh8 n HIS 37 Cb 0.37 0.14 -0.07 0.00 -0.12 0.00 0.00 29.99 30.31 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 -0.52 0.64 0.40 1.57 -0.14 -1.24 -4.96 119.74 115.50 1gh8 s LYS 38 Ca 0.00 1.14 -0.01 0.00 -1.36 0.00 0.00 55.97 55.74 1gh8 s LYS 38 Cb 0.00 0.17 -0.03 0.00 -1.68 0.00 0.00 37.83 36.29 1gh8 s LYS 38 CO 0.00 -0.14 0.63 0.42 -0.76 0.00 0.00 175.35 175.50 1gh8 s ILE 39 N 1.66 4.87 -0.10 2.17 1.01 -1.25 -1.96 121.20 127.59 1gh8 s ILE 39 Ca -0.10 -0.30 0.01 0.00 0.00 0.00 0.00 60.65 60.26 1gh8 s ILE 39 Cb -0.05 -3.80 0.02 0.00 0.01 0.00 0.00 42.46 38.64 1gh8 s ILE 39 CO -0.19 -0.60 -0.10 -0.62 0.00 0.00 0.00 174.94 173.43 1gh8 s ASP 40 N -4.09 2.14 -1.34 3.58 2.15 -0.48 -4.85 116.67 113.78 1gh8 s ASP 40 Ca 0.43 -0.33 -0.12 0.00 0.43 0.00 0.00 52.55 52.96 1gh8 s ASP 40 Cb -0.10 -0.89 0.11 0.00 -0.30 0.00 0.00 42.92 41.74 1gh8 s ASP 40 CO 0.39 -0.06 1.95 -0.62 -0.17 0.00 0.00 175.17 176.65 1gh8 n GLU 41 N 4.55 3.27 -3.76 4.34 1.02 -1.26 -1.00 120.64 127.80 1gh8 n GLU 41 Ca -0.16 -3.20 -0.36 0.00 -0.02 0.00 0.00 57.16 53.42 1gh8 n GLU 41 Cb 0.51 -3.13 -0.07 0.00 -0.02 0.00 0.00 31.44 28.73 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 1.92 3.88 0.41 3.49 2.02 -0.22 -4.94 118.70 125.26 1gh8 s GLU 42 Ca 0.44 -0.12 -0.07 0.00 0.02 0.00 0.00 54.97 55.24 1gh8 s GLU 42 Cb 0.09 -3.32 -0.05 0.00 0.10 0.00 0.00 34.13 30.95 1gh8 s GLU 42 CO -0.02 0.50 0.73 -1.25 0.02 0.00 0.00 175.26 175.24 1gh8 s PRO 43 N -0.25 3.65 0.00 0.39 0.04 -1.26 0.14 135.00 137.70 1gh8 s PRO 43 Ca 0.12 0.25 0.00 0.00 0.04 0.00 0.00 61.00 61.41 1gh8 s PRO 43 Cb -0.12 -2.44 0.00 0.00 0.04 0.00 0.00 34.50 31.98 1gh8 s PRO 43 CO 0.02 -0.04 0.00 -0.89 0.04 0.00 0.00 177.00 176.12 1gh8 n ILE 44 N -1.61 0.00 0.00 0.56 2.08 0.26 -4.74 119.36 115.91 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 -0.29 0.00 0.00 -0.75 0.00 0.00 39.64 39.15 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 0.02 0.00 0.00 0.00 0.00 53.44 53.46 1gh8 n ALA 45 Cb 0.00 0.00 0.25 0.00 0.00 0.00 0.00 19.45 19.70 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 -0.13 0.00 0.00 0.00 -1.00 -2.03 -3.38 116.94 110.40 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 0.51 0.00 0.41 -1.61 0.00 0.00 178.31 177.62 1gh8 n GLY 47 N 0.18 0.11 3.43 -1.45 0.00 -1.26 -5.06 105.19 101.14 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 4.86 -0.16 0.99 1.43 -1.26 -4.88 118.68 119.66 1gh8 s LEU 48 Ca 0.00 -1.07 -0.16 0.00 -1.03 0.00 0.00 54.13 51.87 1gh8 s LEU 48 Cb 0.00 -2.42 -0.04 0.00 0.03 0.00 0.00 46.19 43.75 1gh8 s LEU 48 CO 0.00 -1.18 0.40 -0.69 0.23 0.00 0.00 176.35 175.12 1gh8 s VAL 49 N 3.22 5.22 0.20 -1.59 1.01 -1.26 -0.57 120.40 126.63 1gh8 s VAL 49 Ca 0.17 0.77 -0.03 0.00 0.00 0.00 0.00 61.98 62.90 1gh8 s VAL 49 Cb -0.20 -3.74 -0.05 0.00 0.00 0.00 0.00 36.38 32.39 1gh8 s VAL 49 CO 0.10 0.32 0.42 0.00 0.00 0.00 0.00 175.10 175.93 1gh8 s ALA 50 N 0.82 3.78 -0.21 5.51 0.00 0.37 -4.73 121.76 127.30 1gh8 s ALA 50 Ca 0.21 -0.71 -0.03 0.00 0.00 0.00 0.00 51.96 51.44 1gh8 s ALA 50 Cb -0.14 -2.09 -0.00 0.00 0.00 0.00 0.00 23.12 20.89 1gh8 s ALA 50 CO 0.08 0.46 -0.07 -0.51 0.00 0.00 0.00 175.76 175.72 1gh8 s LEU 51 N -3.18 2.78 -0.88 0.00 1.02 0.10 -1.06 118.68 117.45 1gh8 s LEU 51 Ca 0.40 -0.45 -0.19 0.00 0.02 0.00 0.00 54.13 53.92 1gh8 s LEU 51 Cb -0.11 -1.69 0.13 0.00 0.02 0.00 0.00 46.19 44.54 1gh8 s LEU 51 CO 0.28 -0.02 1.07 0.20 0.02 0.00 0.00 176.35 177.90 1gh8 s ASN 52 N 1.44 6.58 -0.53 2.29 0.02 -0.17 -1.52 114.94 123.05 1gh8 s ASN 52 Ca 0.06 -1.98 -0.23 0.00 -1.02 0.00 0.00 52.86 49.68 1gh8 s ASN 52 Cb -0.14 -2.38 0.04 0.00 0.02 0.00 0.00 41.25 38.79 1gh8 s ASN 52 CO -0.05 -1.06 0.89 -0.69 0.02 0.00 0.00 177.10 176.21 1gh8 s VAL 53 N 2.60 4.48 0.64 1.60 1.01 0.76 -1.38 120.40 130.10 1gh8 s VAL 53 Ca 0.30 0.22 -0.07 0.00 0.00 0.00 0.00 61.98 62.42 1gh8 s VAL 53 Cb -0.07 -4.49 0.02 0.00 0.00 0.00 0.00 36.38 31.84 1gh8 s VAL 53 CO -0.07 -1.03 0.96 -0.04 0.00 0.00 0.00 175.10 174.92 1gh8 s MET 54 N 3.72 2.79 -0.00 2.72 -1.94 -0.83 -1.31 119.30 124.45 1gh8 s MET 54 Ca 0.29 0.07 0.00 0.00 -1.71 0.00 0.00 55.69 54.33 1gh8 s MET 54 Cb -0.13 -2.20 0.01 0.00 2.01 0.00 0.00 34.83 34.52 1gh8 s MET 54 CO 0.19 -0.86 0.01 0.14 -0.01 0.00 0.00 175.02 174.48 1gh8 s VAL 55 N -3.12 -0.01 -0.42 -6.03 -7.23 -0.04 0.76 120.40 104.32 1gh8 s VAL 55 Ca 0.56 0.04 -0.19 0.00 -1.81 0.00 0.00 61.98 60.59 1gh8 s VAL 55 Cb -0.11 -0.03 0.02 0.00 0.56 0.00 0.00 36.38 36.83 1gh8 s VAL 55 CO 0.47 0.02 0.52 -0.69 -0.31 0.00 0.00 175.10 175.10 1gh8 s VAL 56 N 0.22 4.99 0.06 1.32 1.01 -1.02 -2.10 120.40 124.88 1gh8 s VAL 56 Ca -0.02 -0.10 0.05 0.00 0.00 0.00 0.00 61.98 61.92 1gh8 s VAL 56 Cb -0.03 -4.08 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 1gh8 s VAL 56 CO -0.01 -0.45 -0.14 0.68 0.00 0.00 0.00 175.10 175.18 1gh8 s VAL 57 N 2.40 1.14 0.01 2.92 -7.23 -0.16 -4.21 120.40 115.27 1gh8 s VAL 57 Ca 0.16 -1.17 0.00 0.00 -1.81 0.00 0.00 61.98 59.16 1gh8 s VAL 57 Cb -0.16 -1.06 0.00 0.00 0.56 0.00 0.00 36.38 35.72 1gh8 s VAL 57 CO 0.15 -0.11 0.00 0.61 -0.31 0.00 0.00 175.10 175.44 1gh8 n GLY 58 N 1.56 -2.00 0.06 2.32 0.00 -1.26 -0.89 105.19 104.98 1gh8 n GLY 58 Ca -0.20 0.68 0.15 0.00 0.00 0.00 0.00 46.02 46.65 1gh8 n GLY 58 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1gh8 n ASP 59 N -1.88 0.21 -2.35 1.61 9.92 -1.26 -4.79 116.55 118.00 1gh8 n ASP 59 Ca 0.00 -0.64 0.00 0.00 -0.53 0.00 0.00 54.79 53.62 1gh8 n ASP 59 Cb 0.00 -0.11 0.00 0.00 -0.64 0.00 0.00 41.12 40.37 1gh8 n ASP 59 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1gh8 n ALA 60 N -1.01 0.00 -3.00 2.24 0.00 -1.26 -5.11 120.51 112.37 1gh8 n ALA 60 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1gh8 n ALA 60 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.66 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 -5.00 120.64 114.63 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 0.01 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 -0.26 0.00 -1.84 0.00 -1.26 -3.77 105.19 98.07 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 0.42 -0.84 0.00 -0.02 0.00 -1.26 -2.40 105.19 101.09 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 -1.31 0.37 0.19 2.61 -2.24 -1.25 -3.01 114.28 109.64 1gh8 n THR 64 Ca 0.07 0.09 0.18 0.00 -2.27 0.00 0.00 64.05 62.13 1gh8 n THR 64 Cb 0.13 -0.72 0.82 0.00 -2.10 0.00 0.00 70.33 68.46 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 -1.81 -0.20 114.58 115.69 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 0.27 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1gh8 h GLU 65 CO 0.00 0.00 0.18 0.00 0.07 0.00 0.00 179.01 179.26 1gh8 h ALA 66 N 1.60 2.00 0.56 1.06 0.00 -1.82 -2.19 119.26 120.46 1gh8 h ALA 66 Ca 0.11 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1gh8 h ALA 66 Cb 0.72 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.53 1gh8 h ALA 66 CO -0.00 -0.29 -0.27 0.00 0.00 0.00 0.00 179.25 178.70 1gh8 h ALA 67 N 1.84 -0.75 -0.53 0.00 0.00 -1.30 0.15 119.26 118.67 1gh8 h ALA 67 Ca 0.10 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1gh8 h ALA 67 Cb 0.46 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 1gh8 h ALA 67 CO -0.00 -0.90 0.35 0.93 0.00 0.00 0.00 179.25 179.63 1gh8 h GLU 68 N -0.79 0.67 -0.01 0.00 5.08 -1.60 -1.27 114.58 116.66 1gh8 h GLU 68 Ca -0.08 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1gh8 h GLU 68 Cb 0.59 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 1gh8 h GLU 68 CO 0.13 0.44 0.00 0.93 -1.00 0.00 0.00 179.01 179.51 1gh8 h GLU 69 N 0.69 0.01 0.00 2.33 5.08 -0.90 -1.63 114.58 120.15 1gh8 h GLU 69 Ca 0.20 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1gh8 h GLU 69 Cb -0.03 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1gh8 h GLU 69 CO -0.05 0.07 0.00 0.66 -1.00 0.00 0.00 179.01 178.69 1gh8 h SER 70 N -0.05 0.00 0.77 1.42 4.64 -0.08 -1.56 113.55 118.70 1gh8 h SER 70 Ca 0.00 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.19 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 0.00 -0.63 -0.07 -0.87 0.00 0.00 176.83 175.26 1gh8 h LEU 71 N 0.00 0.00 -1.06 5.97 -0.00 -0.28 0.59 115.31 120.53 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 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.86 1gh8 h LEU 71 CO 0.00 0.63 0.00 -1.54 -0.00 0.00 0.00 178.44 177.53 1gh8 n SER 72 N -3.64 0.57 -1.67 -0.43 3.41 -0.59 -2.85 113.62 108.42 1gh8 n SER 72 Ca -0.01 0.71 -0.02 0.00 -0.26 0.00 0.00 58.87 59.29 1gh8 n SER 72 Cb 0.66 -0.80 0.01 0.00 -0.26 0.00 0.00 64.21 63.81 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 -0.79 1.08 0.00 5.00 0.00 -1.03 -5.13 105.19 104.32 1gh8 n GLY 73 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.59 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 0.13 0.20 -4.77 119.36 112.60 1gh8 n ILE 74 Ca -0.11 0.00 -0.35 0.00 -1.10 0.00 0.00 62.75 61.18 1gh8 n ILE 74 Cb 0.88 -1.27 -0.09 0.00 -0.84 0.00 0.00 39.64 38.32 1gh8 n ILE 74 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 1gh8 n GLU 75 N -0.42 0.53 -0.06 9.51 4.71 -1.26 -4.77 120.64 128.87 1gh8 n GLU 75 Ca 0.00 -0.07 0.10 0.00 -0.01 0.00 0.00 57.16 57.18 1gh8 n GLU 75 Cb 0.00 -2.56 0.47 0.00 -1.01 0.00 0.00 31.44 28.35 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 16.36 0.60 0.83 0.62 0.00 -1.98 -2.54 103.07 116.96 1gh8 h GLY 76 Ca -0.13 -0.19 -0.35 0.00 0.00 0.00 0.00 47.33 46.66 1gh8 h GLY 76 CO 1.27 0.13 -1.83 -2.08 0.00 0.00 0.00 176.54 174.03 1gh8 h VAL 77 N 0.46 0.83 -3.23 4.60 2.07 -1.95 -3.42 116.25 115.61 1gh8 h VAL 77 Ca 0.25 -2.47 -0.75 0.00 0.82 0.00 0.00 66.70 64.55 1gh8 h VAL 77 Cb 0.37 2.67 -0.23 0.00 -1.52 0.00 0.00 31.29 32.59 1gh8 h VAL 77 CO -0.07 0.87 0.29 -0.55 0.02 0.00 0.00 177.57 178.13 1gh8 s SER 78 N -7.18 6.60 0.12 0.57 0.15 -0.96 -0.48 113.70 112.53 1gh8 s SER 78 Ca -0.18 -2.25 -0.30 0.00 0.70 0.00 0.00 55.95 53.92 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 -0.82 1.04 0.21 1.20 0.00 0.00 173.24 175.70 1gh8 s ASN 79 N 2.90 7.35 0.01 5.45 3.04 -0.91 -4.29 114.94 128.49 1gh8 s ASN 79 Ca 0.20 1.92 -0.01 0.00 0.04 0.00 0.00 52.86 55.01 1gh8 s ASN 79 Cb -0.12 -2.59 -0.04 0.00 -1.54 0.00 0.00 41.25 36.96 1gh8 s ASN 79 CO -0.06 -0.19 0.16 -0.63 -3.04 0.00 0.00 177.10 173.34 1gh8 s ILE 80 N 0.11 5.20 -1.34 -5.21 1.01 -1.26 -2.87 121.20 116.83 1gh8 s ILE 80 Ca 0.50 -0.31 -0.12 0.00 0.00 0.00 0.00 60.65 60.72 1gh8 s ILE 80 Cb -0.26 -3.45 0.12 0.00 0.01 0.00 0.00 42.46 38.88 1gh8 s ILE 80 CO 0.32 0.28 1.97 1.21 0.00 0.00 0.00 174.94 178.72 1gh8 n GLU 81 N 0.83 3.31 -1.14 2.79 4.07 0.11 -4.82 120.64 125.79 1gh8 n GLU 81 Ca -0.10 -3.20 -0.21 0.00 -0.06 0.00 0.00 57.16 53.59 1gh8 n GLU 81 Cb 0.52 -3.09 -0.12 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 4.17 3.43 -0.65 6.31 0.31 -1.26 -3.35 118.33 127.29 1gh8 n VAL 82 Ca 0.44 -1.97 0.00 0.00 -0.01 0.00 0.00 64.34 62.81 1gh8 n VAL 82 Cb 0.38 -2.14 0.00 0.00 -0.91 0.00 0.00 33.84 31.17 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 2.65 0.15 -3.05 2.52 -1.04 -1.26 -5.06 114.28 109.20 1gh8 n THR 83 Ca 0.53 -0.25 -0.39 0.00 -2.04 0.00 0.00 64.05 61.90 1gh8 n THR 83 Cb 0.70 1.29 -0.05 0.00 -1.82 0.00 0.00 70.33 70.44 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 -0.15 7.21 0.02 8.00 -1.08 -1.16 -5.02 116.67 124.49 1gh8 s ASP 84 Ca 0.00 1.44 -0.12 0.00 -0.52 0.00 0.00 52.55 53.35 1gh8 s ASP 84 Cb 0.00 -2.45 0.01 0.00 -1.46 0.00 0.00 42.92 39.03 1gh8 s ASP 84 CO 0.00 0.11 0.26 0.54 0.52 0.00 0.00 175.17 176.60 1gh8 s VAL 85 N -0.49 0.08 -0.31 1.11 0.11 -1.26 -0.64 120.40 119.00 1gh8 s VAL 85 Ca 0.36 -0.68 0.01 0.00 -2.93 0.00 0.00 61.98 58.74 1gh8 s VAL 85 Cb -0.21 -0.79 0.15 0.00 -1.53 0.00 0.00 36.38 34.00 1gh8 s VAL 85 CO 0.23 -0.38 0.36 -0.60 -3.33 0.00 0.00 175.10 171.38 1gh8 s ARG 86 N -2.09 0.43 -0.48 1.54 3.52 0.23 -4.90 118.95 117.20 1gh8 s ARG 86 Ca -0.08 -0.19 -0.27 0.00 -0.13 0.00 0.00 55.73 55.06 1gh8 s ARG 86 Cb -0.03 -0.52 0.03 0.00 -1.56 0.00 0.00 34.95 32.87 1gh8 s ARG 86 CO -0.01 -1.07 1.03 1.03 -0.81 0.00 0.00 175.30 175.47 1gh8 s ARG 87 N 2.23 3.61 -0.99 5.12 3.00 -1.26 -0.47 118.95 130.19 1gh8 s ARG 87 Ca 0.11 0.33 -0.22 0.00 0.00 0.00 0.00 55.73 55.95 1gh8 s ARG 87 Cb -0.13 -3.93 0.07 0.00 0.00 0.00 0.00 34.95 30.96 1gh8 s ARG 87 CO -0.25 -1.33 1.37 -0.51 0.00 0.00 0.00 175.30 174.58 1gh8 s LEU 88 N 4.13 3.85 0.00 2.53 1.43 0.64 -4.95 118.68 126.31 1gh8 s LEU 88 Ca 0.42 -1.56 0.27 0.00 -1.03 0.00 0.00 54.13 52.23 1gh8 s LEU 88 Cb -0.09 -2.53 0.82 0.00 0.03 0.00 0.00 46.19 44.42 1gh8 s LEU 88 CO 0.29 -1.41 1.62 0.23 0.23 0.00 0.00 176.35 177.30