#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xx9 h GLN 5 N 0.00 0.00 -1.10 1.45 1.08 -2.05 -3.48 115.11 111.01 1xx9 h GLN 5 Ca 0.00 0.00 -0.16 0.00 -1.45 0.00 0.00 58.65 57.04 1xx9 h GLN 5 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1xx9 h GLN 5 CO 0.00 0.00 0.11 -0.35 -0.95 0.00 0.00 178.83 177.64 1xx9 n PRO 6 N -2.36 0.00 -0.21 1.46 -0.04 -1.26 -4.81 135.00 127.78 1xx9 n PRO 6 Ca -0.00 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.46 1xx9 n PRO 6 Cb 0.01 -0.28 0.12 0.00 -0.04 0.00 0.00 33.50 33.31 1xx9 n PRO 6 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1xx9 h LEU 7 N 0.88 0.15 0.00 1.53 5.85 -1.94 0.89 115.31 122.66 1xx9 h LEU 7 Ca -0.08 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1xx9 h LEU 7 Cb 0.25 0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.38 1xx9 h LEU 7 CO 0.17 0.08 0.00 -0.62 -0.34 0.00 0.00 178.44 177.74 1xx9 n GLU 8 N -5.05 0.39 0.14 1.25 1.02 -1.26 -1.22 120.64 115.91 1xx9 n GLU 8 Ca 0.09 0.01 0.12 0.00 -0.02 0.00 0.00 57.16 57.36 1xx9 n GLU 8 Cb 0.31 -1.50 0.23 0.00 -0.02 0.00 0.00 31.44 30.45 1xx9 n GLU 8 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1xx9 h LYS 9 N 0.00 0.00 0.12 3.49 3.64 -1.13 -3.28 116.57 119.41 1xx9 h LYS 9 Ca 0.00 0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 59.05 1xx9 h LYS 9 Cb 0.00 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1xx9 h LYS 9 CO 0.00 0.00 -1.77 0.82 -2.27 0.00 0.00 179.45 176.23 1xx9 h ILE 10 N 0.00 0.78 -2.09 2.00 2.04 -1.29 -3.50 117.51 115.45 1xx9 h ILE 10 Ca 0.00 -2.36 0.19 0.00 1.00 0.00 0.00 64.86 63.69 1xx9 h ILE 10 Cb 0.87 2.55 -0.12 0.00 -0.74 0.00 0.00 36.82 39.38 1xx9 h ILE 10 CO 0.00 0.79 0.57 0.00 0.00 0.00 0.00 178.15 179.51 1xx9 s ALA 11 N -2.52 -1.84 -1.27 1.87 0.00 -1.22 -5.07 121.76 111.71 1xx9 s ALA 11 Ca -0.22 0.62 -0.09 0.00 0.00 0.00 0.00 51.96 52.27 1xx9 s ALA 11 Cb 0.06 0.46 -0.07 0.00 0.00 0.00 0.00 23.12 23.57 1xx9 s ALA 11 CO 0.76 -0.90 2.50 -0.35 0.00 0.00 0.00 175.76 177.77 1xx9 n PRO 12 N -0.37 2.85 -2.01 0.00 -0.04 -1.26 -4.04 135.00 130.12 1xx9 n PRO 12 Ca -0.07 -1.90 -0.42 0.00 -0.04 0.00 0.00 63.50 61.07 1xx9 n PRO 12 Cb 0.61 -2.70 -0.03 0.00 -0.04 0.00 0.00 33.50 31.34 1xx9 n PRO 12 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1xx9 s TYR 13 N 2.92 2.60 0.80 0.54 2.02 -1.26 -4.94 117.35 120.03 1xx9 s TYR 13 Ca 0.55 0.48 -0.14 0.00 -0.37 0.00 0.00 57.07 57.59 1xx9 s TYR 13 Cb 0.14 -3.88 0.03 0.00 -0.40 0.00 0.00 41.96 37.85 1xx9 s TYR 13 CO -0.04 -3.45 0.85 -0.35 -1.57 0.00 0.00 175.55 170.99 1xx9 n PRO 14 N 5.37 0.18 -2.65 -1.71 -0.04 -1.26 -4.91 135.00 129.98 1xx9 n PRO 14 Ca 0.15 0.12 -0.32 0.00 -0.04 0.00 0.00 63.50 63.41 1xx9 n PRO 14 Cb 0.41 -2.14 -0.05 0.00 -0.04 0.00 0.00 33.50 31.68 1xx9 n PRO 14 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1xx9 s GLN 15 N -3.55 4.05 0.32 0.54 -1.52 -1.26 -5.00 119.66 113.23 1xx9 s GLN 15 Ca 0.68 0.96 -0.29 0.00 -1.95 0.00 0.00 55.36 54.77 1xx9 s GLN 15 Cb -0.30 -2.19 -0.10 0.00 -0.22 0.00 0.00 33.01 30.19 1xx9 s GLN 15 CO 0.56 -0.13 1.35 0.00 -0.25 0.00 0.00 175.29 176.82 1xx9 s ALA 16 N -2.38 3.53 1.16 6.09 0.00 -1.26 -5.00 121.76 123.90 1xx9 s ALA 16 Ca 0.59 1.30 -0.19 0.00 0.00 0.00 0.00 51.96 53.67 1xx9 s ALA 16 Cb -0.10 -3.51 0.27 0.00 0.00 0.00 0.00 23.12 19.79 1xx9 s ALA 16 CO 0.23 -0.70 1.15 -1.21 0.00 0.00 0.00 175.76 175.23 1xx9 s GLU 17 N -1.50 -0.90 0.21 0.00 2.02 -1.26 -4.85 118.70 112.42 1xx9 s GLU 17 Ca 0.52 -0.14 -0.31 0.00 0.02 0.00 0.00 54.97 55.05 1xx9 s GLU 17 Cb -0.41 -1.64 -0.11 0.00 0.10 0.00 0.00 34.13 32.07 1xx9 s GLU 17 CO 0.52 -3.48 1.65 0.21 0.02 0.00 0.00 175.26 174.17 1xx9 s LYS 18 N -5.50 4.15 0.00 1.61 2.20 -1.26 -1.90 119.74 119.04 1xx9 s LYS 18 Ca 0.72 2.53 0.00 0.00 -0.36 0.00 0.00 55.97 58.86 1xx9 s LYS 18 Cb -0.08 -3.09 0.00 0.00 -1.51 0.00 0.00 37.83 33.15 1xx9 s LYS 18 CO 0.55 -0.68 0.00 0.41 -0.36 0.00 0.00 175.35 175.27 1xx9 n GLY 19 N 3.53 0.72 3.29 5.54 0.00 -1.26 -5.04 105.19 111.97 1xx9 n GLY 19 Ca 0.14 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.00 1xx9 n GLY 19 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1xx9 s MET 20 N -0.29 1.20 0.05 1.61 -1.94 -0.80 -1.24 119.30 117.88 1xx9 s MET 20 Ca 0.00 -1.57 0.02 0.00 -1.71 0.00 0.00 55.69 52.43 1xx9 s MET 20 Cb 0.00 -0.57 -0.03 0.00 2.01 0.00 0.00 34.83 36.25 1xx9 s MET 20 CO 0.00 -0.04 -0.07 -1.59 -0.01 0.00 0.00 175.02 173.32 1xx9 s LYS 21 N -3.83 0.54 -0.12 2.03 -2.85 -0.14 -4.58 119.74 110.80 1xx9 s LYS 21 Ca 0.23 -0.83 -0.15 0.00 -1.00 0.00 0.00 55.97 54.23 1xx9 s LYS 21 Cb 0.05 -0.19 -0.05 0.00 -2.06 0.00 0.00 37.83 35.58 1xx9 s LYS 21 CO 0.05 0.02 0.35 0.50 0.10 0.00 0.00 175.35 176.36 1xx9 s ARG 22 N -1.96 4.17 -0.10 1.78 3.52 -1.26 -2.15 118.95 122.95 1xx9 s ARG 22 Ca -0.07 0.22 0.03 0.00 -0.13 0.00 0.00 55.73 55.78 1xx9 s ARG 22 Cb -0.07 -3.38 0.01 0.00 -1.56 0.00 0.00 34.95 29.94 1xx9 s ARG 22 CO -0.01 0.33 -0.21 -0.65 -0.81 0.00 0.00 175.30 173.95 1xx9 s GLN 23 N 0.15 2.76 -0.06 5.12 -0.21 0.98 -4.98 119.66 123.43 1xx9 s GLN 23 Ca 0.20 -0.77 0.03 0.00 0.02 0.00 0.00 55.36 54.83 1xx9 s GLN 23 Cb -0.14 -2.16 -0.03 0.00 1.00 0.00 0.00 33.01 31.69 1xx9 s GLN 23 CO 0.07 0.09 -0.12 0.08 -2.12 0.00 0.00 175.29 173.29 1xx9 s VAL 24 N 0.56 3.25 -0.21 1.09 1.01 -1.26 -0.04 120.40 124.81 1xx9 s VAL 24 Ca -0.14 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.20 1xx9 s VAL 24 Cb -0.17 -2.30 0.04 0.00 0.00 0.00 0.00 36.38 33.96 1xx9 s VAL 24 CO 0.05 0.59 -0.12 -0.63 0.00 0.00 0.00 175.10 174.99 1xx9 s ILE 25 N -0.69 1.79 -0.38 2.22 1.01 0.29 -4.99 121.20 120.45 1xx9 s ILE 25 Ca 0.10 -1.11 -0.04 0.00 0.00 0.00 0.00 60.65 59.60 1xx9 s ILE 25 Cb -0.11 -1.84 0.08 0.00 0.01 0.00 0.00 42.46 40.61 1xx9 s ILE 25 CO 0.01 0.18 0.15 -1.58 0.00 0.00 0.00 174.94 173.70 1xx9 s GLN 26 N 1.33 2.28 0.63 2.79 2.00 -1.26 -1.39 119.66 126.04 1xx9 s GLN 26 Ca -0.02 -1.55 -0.14 0.00 -2.00 0.00 0.00 55.36 51.65 1xx9 s GLN 26 Cb -0.16 -3.51 -0.02 0.00 0.80 0.00 0.00 33.01 30.12 1xx9 s GLN 26 CO -0.08 -0.90 1.06 -0.51 -0.50 0.00 0.00 175.29 174.36 1xx9 s LEU 27 N 1.25 3.37 0.27 3.68 1.43 -1.26 -5.04 118.68 122.38 1xx9 s LEU 27 Ca 0.03 1.74 -0.17 0.00 -1.03 0.00 0.00 54.13 54.71 1xx9 s LEU 27 Cb -0.22 -4.52 -0.09 0.00 0.03 0.00 0.00 46.19 41.40 1xx9 s LEU 27 CO -0.02 -1.26 0.72 0.42 0.23 0.00 0.00 176.35 176.44 1xx9 s THR 28 N -2.66 4.64 0.41 5.49 -4.23 -1.26 -4.75 115.64 113.28 1xx9 s THR 28 Ca 0.62 1.08 -0.26 0.00 -1.18 0.00 0.00 61.69 61.94 1xx9 s THR 28 Cb -0.15 -3.72 -0.09 0.00 1.34 0.00 0.00 72.50 69.88 1xx9 s THR 28 CO 0.43 -0.00 1.31 -2.84 -0.54 0.00 0.00 174.62 172.98 1xx9 s PRO 29 N -2.52 3.93 0.05 3.99 0.02 -1.26 -4.75 135.00 134.45 1xx9 s PRO 29 Ca 0.49 2.17 0.01 0.00 0.02 0.00 0.00 61.00 63.69 1xx9 s PRO 29 Cb -0.13 -2.74 -0.03 0.00 0.02 0.00 0.00 34.50 31.63 1xx9 s PRO 29 CO 0.19 -0.53 -0.06 -0.65 -0.33 0.00 0.00 177.00 175.63 1xx9 s GLN 30 N -2.27 0.52 0.17 5.54 -1.52 -1.26 -5.07 119.66 115.77 1xx9 s GLN 30 Ca 0.57 -0.87 -0.15 0.00 -1.95 0.00 0.00 55.36 52.96 1xx9 s GLN 30 Cb -0.38 -0.09 0.13 0.00 -0.22 0.00 0.00 33.01 32.45 1xx9 s GLN 30 CO 0.49 -0.01 1.68 0.93 -0.25 0.00 0.00 175.29 178.13 1xx9 h GLU 31 N 4.12 0.07 -2.70 2.91 4.39 -2.06 -3.35 114.58 117.97 1xx9 h GLU 31 Ca -0.34 -0.00 -0.60 0.00 0.34 0.00 0.00 59.36 58.75 1xx9 h GLU 31 Cb 1.19 -0.01 -0.40 0.00 -0.10 0.00 0.00 28.75 29.43 1xx9 h GLU 31 CO 0.48 0.04 -0.81 0.34 -1.16 0.00 0.00 179.01 177.91 1xx9 s ASP 32 N -5.24 2.91 0.00 1.42 2.15 -1.26 -4.95 116.67 111.70 1xx9 s ASP 32 Ca -0.14 -3.23 0.17 0.00 0.43 0.00 0.00 52.55 49.78 1xx9 s ASP 32 Cb 0.15 -0.91 0.93 0.00 -0.30 0.00 0.00 42.92 42.79 1xx9 s ASP 32 CO 0.71 -0.16 1.47 -0.62 -0.17 0.00 0.00 175.17 176.40 1xx9 n GLU 33 N 2.70 0.37 0.16 4.34 1.02 -1.26 -2.72 120.64 125.25 1xx9 n GLU 33 Ca 0.23 0.07 0.02 0.00 -0.02 0.00 0.00 57.16 57.47 1xx9 n GLU 33 Cb 0.41 -1.50 0.22 0.00 -0.02 0.00 0.00 31.44 30.56 1xx9 n GLU 33 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1xx9 h SER 34 N 0.00 0.00 -0.57 1.62 4.64 -1.93 -2.83 113.55 114.49 1xx9 h SER 34 Ca 0.00 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.20 1xx9 h SER 34 Cb 0.09 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.10 1xx9 h SER 34 CO 0.00 0.50 0.16 0.35 -0.87 0.00 0.00 176.83 176.97 1xx9 n THR 35 N -3.56 2.40 -4.31 2.95 -2.24 -1.10 -4.90 114.28 103.52 1xx9 n THR 35 Ca -0.00 -1.26 -0.18 0.00 -2.27 0.00 0.00 64.05 60.34 1xx9 n THR 35 Cb 0.59 -0.40 -0.10 0.00 -2.10 0.00 0.00 70.33 68.32 1xx9 n THR 35 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1xx9 s LEU 36 N -2.36 2.52 0.15 3.22 1.43 -1.07 -1.83 118.68 120.74 1xx9 s LEU 36 Ca 0.45 -0.98 -0.19 0.00 -1.03 0.00 0.00 54.13 52.38 1xx9 s LEU 36 Cb 0.35 -0.61 0.05 0.00 0.03 0.00 0.00 46.19 46.01 1xx9 s LEU 36 CO 0.12 -0.19 0.48 -0.54 0.23 0.00 0.00 176.35 176.45 1xx9 s LYS 37 N -3.48 1.18 -0.14 1.70 1.02 -0.89 -3.46 119.74 115.67 1xx9 s LYS 37 Ca 0.19 -0.64 0.01 0.00 0.02 0.00 0.00 55.97 55.55 1xx9 s LYS 37 Cb -0.01 0.52 0.02 0.00 -0.52 0.00 0.00 37.83 37.84 1xx9 s LYS 37 CO 0.05 -0.49 -0.16 0.08 -0.92 0.00 0.00 175.35 173.92 1xx9 s VAL 38 N -3.79 1.64 -0.16 3.17 1.01 0.81 -1.52 120.40 121.56 1xx9 s VAL 38 Ca 0.03 -0.69 -0.12 0.00 0.00 0.00 0.00 61.98 61.19 1xx9 s VAL 38 Cb 0.01 -1.52 -0.05 0.00 0.00 0.00 0.00 36.38 34.82 1xx9 s VAL 38 CO -0.11 0.47 0.25 -0.70 0.00 0.00 0.00 175.10 175.00 1xx9 s GLU 39 N 1.29 4.15 -0.13 2.72 2.12 -0.16 -0.66 118.70 128.03 1xx9 s GLU 39 Ca 0.01 0.01 -0.15 0.00 0.36 0.00 0.00 54.97 55.21 1xx9 s GLU 39 Cb -0.14 -3.39 -0.05 0.00 0.26 0.00 0.00 34.13 30.81 1xx9 s GLU 39 CO -0.08 0.32 0.34 -0.51 -0.54 0.00 0.00 175.26 174.79 1xx9 s LEU 40 N 0.24 4.28 -0.39 2.70 1.43 -0.49 -1.56 118.68 124.89 1xx9 s LEU 40 Ca 0.15 0.62 0.02 0.00 -1.03 0.00 0.00 54.13 53.89 1xx9 s LEU 40 Cb -0.13 -2.45 0.11 0.00 0.03 0.00 0.00 46.19 43.75 1xx9 s LEU 40 CO 0.03 0.11 0.12 -0.76 0.23 0.00 0.00 176.35 176.09 1xx9 s LEU 41 N 0.28 4.83 -0.29 1.79 1.43 -0.25 -4.95 118.68 121.51 1xx9 s LEU 41 Ca 0.19 -2.27 -0.10 0.00 -1.03 0.00 0.00 54.13 50.92 1xx9 s LEU 41 Cb -0.14 -1.68 -0.04 0.00 0.03 0.00 0.00 46.19 44.37 1xx9 s LEU 41 CO 0.06 -0.39 0.17 -0.63 0.23 0.00 0.00 176.35 175.79 1xx9 s ILE 42 N 0.76 5.02 0.00 -0.59 1.01 -1.26 -0.39 121.20 125.74 1xx9 s ILE 42 Ca 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.73 1xx9 s ILE 42 Cb -0.21 -3.43 0.00 0.00 0.01 0.00 0.00 42.46 38.83 1xx9 s ILE 42 CO -0.06 0.21 0.00 0.61 0.00 0.00 0.00 174.94 175.70 1xx9 n GLY 43 N 5.03 2.71 2.88 6.18 0.00 0.09 -1.57 105.19 120.51 1xx9 n GLY 43 Ca -0.14 -0.82 -0.18 0.00 0.00 0.00 0.00 46.02 44.88 1xx9 n GLY 43 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xx9 s GLN 44 N 0.24 0.51 -0.52 1.61 -0.21 0.12 -0.48 119.66 120.93 1xx9 s GLN 44 Ca 0.00 -0.06 -0.28 0.00 0.02 0.00 0.00 55.36 55.03 1xx9 s GLN 44 Cb 0.00 -0.57 0.02 0.00 1.00 0.00 0.00 33.01 33.46 1xx9 s GLN 44 CO 0.00 -0.04 1.29 0.99 -2.12 0.00 0.00 175.29 175.41 1xx9 s THR 45 N 0.64 3.97 0.37 -0.19 2.01 -1.26 -0.74 115.64 120.43 1xx9 s THR 45 Ca -0.07 0.91 0.07 0.00 0.31 0.00 0.00 61.69 62.91 1xx9 s THR 45 Cb -0.11 -4.51 -0.07 0.00 0.01 0.00 0.00 72.50 67.83 1xx9 s THR 45 CO -0.01 -1.09 -0.02 -0.76 -0.69 0.00 0.00 174.62 172.05 1xx9 s LEU 46 N 5.27 2.69 -0.28 4.42 1.43 0.79 -4.89 118.68 128.10 1xx9 s LEU 46 Ca 0.51 -1.31 -0.05 0.00 -1.03 0.00 0.00 54.13 52.25 1xx9 s LEU 46 Cb -0.10 -0.81 0.02 0.00 0.03 0.00 0.00 46.19 45.33 1xx9 s LEU 46 CO 0.28 -0.40 0.03 -0.70 0.23 0.00 0.00 176.35 175.79 1xx9 s GLU 47 N -3.72 2.98 0.28 1.70 2.12 -1.26 0.12 118.70 120.92 1xx9 s GLU 47 Ca 0.34 -0.91 0.02 0.00 0.36 0.00 0.00 54.97 54.78 1xx9 s GLU 47 Cb 0.07 -3.25 -0.04 0.00 0.26 0.00 0.00 34.13 31.17 1xx9 s GLU 47 CO 0.17 -0.44 0.12 0.14 -0.54 0.00 0.00 175.26 174.71 1xx9 s VAL 48 N 1.43 0.45 0.00 3.70 -7.23 -0.85 -4.69 120.40 113.21 1xx9 s VAL 48 Ca 0.01 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.18 1xx9 s VAL 48 Cb -0.17 -2.57 0.00 0.00 0.56 0.00 0.00 36.38 34.20 1xx9 s VAL 48 CO 0.00 0.00 0.00 -0.90 -0.31 0.00 0.00 175.10 173.89 1xx9 n ASP 49 N -0.68 -0.03 0.00 4.85 5.68 -1.26 0.68 116.55 125.79 1xx9 n ASP 49 Ca 0.00 -0.82 0.12 0.00 -0.50 0.00 0.00 54.79 53.60 1xx9 n ASP 49 Cb 0.66 0.00 0.62 0.00 -1.14 0.00 0.00 41.12 41.26 1xx9 n ASP 49 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1xx9 s ASN 51 N -2.53 4.46 -0.09 0.00 0.01 -1.26 -5.01 114.94 110.52 1xx9 s ASN 51 Ca 0.24 1.15 -0.27 0.00 -0.71 0.00 0.00 52.86 53.27 1xx9 s ASN 51 Cb 0.16 -1.84 -0.02 0.00 0.41 0.00 0.00 41.25 39.96 1xx9 s ASN 51 CO 0.36 -1.97 0.88 -0.76 -1.51 0.00 0.00 177.10 174.10 1xx9 s LEU 52 N -5.74 4.27 -0.02 0.60 1.43 -1.26 -4.87 118.68 113.09 1xx9 s LEU 52 Ca 0.61 1.37 0.05 0.00 -1.03 0.00 0.00 54.13 55.13 1xx9 s LEU 52 Cb -0.14 -3.35 -0.03 0.00 0.03 0.00 0.00 46.19 42.71 1xx9 s LEU 52 CO 0.53 -0.31 -0.16 -1.00 0.23 0.00 0.00 176.35 175.64 1xx9 s HIS 53 N 1.54 2.63 -0.04 0.29 3.76 -1.26 -1.97 115.29 120.24 1xx9 s HIS 53 Ca 0.44 -0.21 -0.01 0.00 -0.15 0.00 0.00 55.06 55.12 1xx9 s HIS 53 Cb -0.18 -1.56 0.03 0.00 1.11 0.00 0.00 32.58 31.98 1xx9 s HIS 53 CO 0.19 0.19 0.08 0.50 -0.85 0.00 0.00 174.74 174.85 1xx9 s ARG 54 N -0.97 0.00 0.33 1.40 3.52 -0.65 -4.68 118.95 117.90 1xx9 s ARG 54 Ca 0.13 0.28 -0.27 0.00 -0.13 0.00 0.00 55.73 55.74 1xx9 s ARG 54 Cb -0.11 -0.25 -0.09 0.00 -1.56 0.00 0.00 34.95 32.94 1xx9 s ARG 54 CO 0.02 -0.19 1.08 -1.17 -0.81 0.00 0.00 175.30 174.23 1xx9 s LEU 55 N 1.26 4.39 0.37 -0.88 2.96 -0.34 -0.69 118.68 125.75 1xx9 s LEU 55 Ca -0.07 2.18 -0.19 0.00 -0.22 0.00 0.00 54.13 55.83 1xx9 s LEU 55 Cb -0.12 -3.84 -0.10 0.00 0.50 0.00 0.00 46.19 42.62 1xx9 s LEU 55 CO -0.04 -0.29 0.86 -0.83 -1.32 0.00 0.00 176.35 174.73 1xx9 s GLY 56 N -1.14 2.41 0.00 7.98 0.00 -0.75 -4.17 107.32 111.65 1xx9 s GLY 56 Ca 0.50 0.27 0.00 0.00 0.00 0.00 0.00 44.72 45.49 1xx9 s GLY 56 CO 0.36 0.54 0.00 0.61 0.00 0.00 0.00 173.10 174.61 1xx9 n GLY 57 N -0.39 4.10 3.07 0.20 0.00 -1.19 -2.95 105.19 108.03 1xx9 n GLY 57 Ca 0.05 -1.26 -0.11 0.00 0.00 0.00 0.00 46.02 44.70 1xx9 n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xx9 s LYS 58 N -2.83 0.37 -0.33 1.61 -0.14 0.23 -4.66 119.74 113.99 1xx9 s LYS 58 Ca 0.00 -0.26 -0.20 0.00 -1.36 0.00 0.00 55.97 54.15 1xx9 s LYS 58 Cb 0.00 0.16 -0.01 0.00 -1.68 0.00 0.00 37.83 36.30 1xx9 s LYS 58 CO 0.00 -0.08 0.60 -1.17 -0.76 0.00 0.00 175.35 173.94 1xx9 s LEU 59 N -1.00 4.22 -0.19 3.17 2.96 -1.26 0.03 118.68 126.61 1xx9 s LEU 59 Ca -0.11 0.24 -0.11 0.00 -0.22 0.00 0.00 54.13 53.93 1xx9 s LEU 59 Cb -0.06 -2.74 -0.05 0.00 0.50 0.00 0.00 46.19 43.84 1xx9 s LEU 59 CO 0.01 -0.51 0.19 -1.61 -1.32 0.00 0.00 176.35 173.11 1xx9 s GLU 60 N 2.58 4.21 -0.05 1.98 0.41 -1.09 -4.94 118.70 121.79 1xx9 s GLU 60 Ca 0.23 -0.11 -0.25 0.00 -0.41 0.00 0.00 54.97 54.43 1xx9 s GLU 60 Cb -0.15 -3.43 -0.04 0.00 -1.78 0.00 0.00 34.13 28.73 1xx9 s GLU 60 CO 0.13 0.26 0.75 1.21 -0.49 0.00 0.00 175.26 177.11 1xx9 s ASN 61 N 0.46 7.05 0.08 -0.19 3.84 -1.26 -2.24 114.94 122.68 1xx9 s ASN 61 Ca 0.11 1.27 0.01 0.00 0.21 0.00 0.00 52.86 54.46 1xx9 s ASN 61 Cb -0.12 -2.44 -0.04 0.00 -0.55 0.00 0.00 41.25 38.10 1xx9 s ASN 61 CO 0.00 -0.14 -0.06 -0.54 -2.79 0.00 0.00 177.10 173.58 1xx9 s LYS 62 N 0.82 0.74 -0.08 0.43 1.02 -0.95 -5.02 119.74 116.70 1xx9 s LYS 62 Ca 0.40 -1.22 0.04 0.00 0.02 0.00 0.00 55.97 55.21 1xx9 s LYS 62 Cb -0.18 -0.14 -0.01 0.00 -0.52 0.00 0.00 37.83 36.98 1xx9 s LYS 62 CO 0.20 -0.02 -0.21 0.99 -0.92 0.00 0.00 175.35 175.39 1xx9 s THR 63 N -3.32 2.43 -0.47 2.17 2.01 -1.26 -2.17 115.64 115.03 1xx9 s THR 63 Ca 0.07 -0.92 -0.29 0.00 0.31 0.00 0.00 61.69 60.87 1xx9 s THR 63 Cb 0.03 -1.94 0.02 0.00 0.01 0.00 0.00 72.50 70.63 1xx9 s THR 63 CO -0.05 0.56 1.29 -0.22 -0.69 0.00 0.00 174.62 175.52 1xx9 s LEU 64 N -0.06 3.57 0.04 4.42 2.96 0.42 -4.94 118.68 125.09 1xx9 s LEU 64 Ca -0.05 0.58 -0.38 0.00 -0.22 0.00 0.00 54.13 54.05 1xx9 s LEU 64 Cb -0.14 -3.47 -0.19 0.00 0.50 0.00 0.00 46.19 42.89 1xx9 s LEU 64 CO 0.04 -1.40 1.14 1.21 -1.32 0.00 0.00 176.35 176.02 1xx9 n GLU 65 N 8.09 0.41 -0.93 1.98 2.13 -1.26 -1.35 120.64 129.70 1xx9 n GLU 65 Ca 0.14 0.15 0.00 0.00 0.66 0.00 0.00 57.16 58.11 1xx9 n GLU 65 Cb 0.49 -1.68 0.00 0.00 0.27 0.00 0.00 31.44 30.52 1xx9 n GLU 65 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1xx9 n GLY 66 N 1.86 0.44 0.64 8.31 0.00 -1.26 -4.80 105.19 110.37 1xx9 n GLY 66 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1xx9 n GLY 66 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1xx9 n TRP 67 N -2.40 0.00 -0.44 1.61 7.02 -0.46 -5.03 117.44 117.74 1xx9 n TRP 67 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 1xx9 n TRP 67 Cb 0.11 0.05 0.00 0.00 -2.42 0.00 0.00 31.31 29.05 1xx9 n TRP 67 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1xx9 n GLY 68 N 2.92 0.73 3.91 6.99 0.00 -1.10 -5.04 105.19 113.61 1xx9 n GLY 68 Ca 0.00 -0.46 -0.30 0.00 0.00 0.00 0.00 46.02 45.26 1xx9 n GLY 68 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xx9 s TYR 69 N -2.00 3.48 0.05 1.61 2.02 -1.26 -4.90 117.35 116.35 1xx9 s TYR 69 Ca 0.00 0.45 0.04 0.00 -0.37 0.00 0.00 57.07 57.19 1xx9 s TYR 69 Cb 0.00 -1.93 -0.04 0.00 -0.40 0.00 0.00 41.96 39.60 1xx9 s TYR 69 CO 0.00 0.43 -0.04 -0.51 -1.57 0.00 0.00 175.55 173.86 1xx9 s ASP 70 N -2.70 4.79 -0.06 2.29 1.01 -1.26 -0.43 116.67 120.30 1xx9 s ASP 70 Ca 0.39 -0.17 -0.18 0.00 0.71 0.00 0.00 52.55 53.31 1xx9 s ASP 70 Cb -0.12 -1.11 0.04 0.00 1.01 0.00 0.00 42.92 42.73 1xx9 s ASP 70 CO 0.27 0.23 0.40 -0.72 0.21 0.00 0.00 175.17 175.56 1xx9 s TYR 71 N -1.14 -0.34 0.24 4.23 -0.85 -0.92 -4.40 117.35 114.16 1xx9 s TYR 71 Ca 0.21 0.65 0.06 0.00 -0.52 0.00 0.00 57.07 57.47 1xx9 s TYR 71 Cb -0.11 0.17 -0.03 0.00 0.38 0.00 0.00 41.96 42.36 1xx9 s TYR 71 CO 0.12 -0.38 0.22 0.71 -1.52 0.00 0.00 175.55 174.70 1xx9 s TYR 72 N -0.89 3.19 -0.25 -3.49 1.51 0.16 -2.24 117.35 115.33 1xx9 s TYR 72 Ca -0.10 -0.08 -0.03 0.00 -1.01 0.00 0.00 57.07 55.85 1xx9 s TYR 72 Cb -0.04 -1.45 0.08 0.00 -0.11 0.00 0.00 41.96 40.45 1xx9 s TYR 72 CO 0.04 0.51 0.10 0.08 -1.11 0.00 0.00 175.55 175.16 1xx9 s VAL 73 N -2.06 0.24 -0.22 0.71 1.01 -0.95 -0.21 120.40 118.92 1xx9 s VAL 73 Ca 0.33 -0.72 -0.29 0.00 0.00 0.00 0.00 61.98 61.30 1xx9 s VAL 73 Cb -0.08 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 1xx9 s VAL 73 CO 0.26 -0.52 1.98 0.12 0.00 0.00 0.00 175.10 176.93 1xx9 s PHE 74 N 1.96 1.51 0.32 5.22 5.36 0.13 -2.66 117.98 129.82 1xx9 s PHE 74 Ca 0.06 0.44 0.10 0.00 -0.96 0.00 0.00 56.93 56.57 1xx9 s PHE 74 Cb -0.16 -4.03 -0.06 0.00 -0.34 0.00 0.00 43.02 38.43 1xx9 s PHE 74 CO -0.23 -3.77 -0.10 0.34 -1.46 0.00 0.00 175.22 170.00 1xx9 s ASP 75 N 6.57 3.82 -1.47 6.13 2.15 0.10 -4.69 116.67 129.28 1xx9 s ASP 75 Ca 0.89 -1.09 -0.05 0.00 0.43 0.00 0.00 52.55 52.73 1xx9 s ASP 75 Cb -0.30 -0.39 0.01 0.00 -0.30 0.00 0.00 42.92 41.93 1xx9 s ASP 75 CO 0.35 -0.14 0.63 0.29 -0.17 0.00 0.00 175.17 176.12 1xx9 n LYS 76 N -0.79 -4.94 -2.01 4.34 4.76 -1.26 0.74 118.16 119.00 1xx9 n LYS 76 Ca -0.05 0.87 -0.42 0.00 -2.87 0.00 0.00 58.31 55.84 1xx9 n LYS 76 Cb 0.62 -5.65 -0.03 0.00 -1.84 0.00 0.00 35.03 28.13 1xx9 n LYS 76 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1xx9 s VAL 77 N -3.17 3.12 0.05 -0.18 1.01 -1.26 -3.15 120.40 116.82 1xx9 s VAL 77 Ca 0.31 0.64 0.02 0.00 0.00 0.00 0.00 61.98 62.95 1xx9 s VAL 77 Cb -0.14 -3.41 -0.03 0.00 0.00 0.00 0.00 36.38 32.80 1xx9 s VAL 77 CO 0.39 0.01 -0.07 -0.94 0.00 0.00 0.00 175.10 174.49 1xx9 s SER 78 N 1.95 0.83 0.30 3.32 1.04 -1.15 -4.93 113.70 115.06 1xx9 s SER 78 Ca 0.70 -0.69 -0.25 0.00 0.48 0.00 0.00 55.95 56.19 1xx9 s SER 78 Cb -0.39 0.07 -0.15 0.00 0.10 0.00 0.00 66.02 65.65 1xx9 s SER 78 CO 0.31 -0.31 0.52 -1.20 0.98 0.00 0.00 173.24 173.54 1xx9 n SER 79 N 1.02 -1.07 -4.73 7.02 7.64 -1.26 -1.81 113.62 120.42 1xx9 n SER 79 Ca -0.20 1.03 -0.41 0.00 1.01 0.00 0.00 58.87 60.30 1xx9 n SER 79 Cb 0.57 -1.03 0.00 0.00 -1.01 0.00 0.00 64.21 62.74 1xx9 n SER 79 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1xx9 n PRO 80 N 0.93 2.23 -3.46 1.43 -0.02 -1.26 -4.33 135.00 130.53 1xx9 n PRO 80 Ca 0.14 0.79 -0.21 0.00 -2.02 0.00 0.00 63.50 62.19 1xx9 n PRO 80 Cb 0.32 -2.48 -0.01 0.00 -0.02 0.00 0.00 33.50 31.32 1xx9 n PRO 80 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1xx9 s VAL 81 N -1.15 4.58 -0.04 -1.45 -7.23 0.14 -4.87 120.40 110.38 1xx9 s VAL 81 Ca 0.57 -0.76 -0.14 0.00 -1.81 0.00 0.00 61.98 59.85 1xx9 s VAL 81 Cb -0.51 -3.64 0.03 0.00 0.56 0.00 0.00 36.38 32.82 1xx9 s VAL 81 CO 0.61 -0.33 0.31 -0.94 -0.31 0.00 0.00 175.10 174.44 1xx9 s SER 82 N -4.10 -0.23 1.10 4.85 1.04 -1.26 -1.64 113.70 113.46 1xx9 s SER 82 Ca 0.42 0.24 -0.15 0.00 0.48 0.00 0.00 55.95 56.94 1xx9 s SER 82 Cb -0.10 0.41 0.24 0.00 0.10 0.00 0.00 66.02 66.68 1xx9 s SER 82 CO 0.33 -0.36 1.08 0.42 0.98 0.00 0.00 173.24 175.70 1xx9 s THR 83 N -0.92 1.86 -0.42 2.02 -4.23 -0.83 -4.97 115.64 108.15 1xx9 s THR 83 Ca -0.10 0.00 0.07 0.00 -1.18 0.00 0.00 61.69 60.49 1xx9 s THR 83 Cb -0.04 -2.41 0.42 0.00 1.34 0.00 0.00 72.50 71.81 1xx9 s THR 83 CO 0.03 0.00 1.07 0.54 -0.54 0.00 0.00 174.62 175.72 1xx9 n ARG 84 N -4.53 2.98 -4.00 3.99 1.74 -1.26 -4.75 116.66 110.83 1xx9 n ARG 84 Ca 0.07 -4.28 -0.21 0.00 -0.77 0.00 0.00 57.85 52.66 1xx9 n ARG 84 Cb 0.58 -2.06 -0.03 0.00 -1.02 0.00 0.00 32.46 29.93 1xx9 n ARG 84 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1xx9 s MET 85 N -3.45 3.26 0.06 5.56 0.23 -1.26 -5.09 119.30 118.62 1xx9 s MET 85 Ca 0.44 -0.87 -0.23 0.00 -1.03 0.00 0.00 55.69 54.01 1xx9 s MET 85 Cb 0.41 -2.78 -0.06 0.00 -1.53 0.00 0.00 34.83 30.86 1xx9 s MET 85 CO -0.14 0.40 0.68 0.00 -2.03 0.00 0.00 175.02 173.93 1xx9 s ALA 86 N -2.04 3.46 0.25 3.16 0.00 -1.26 -4.86 121.76 120.47 1xx9 s ALA 86 Ca 0.34 0.18 0.03 0.00 0.00 0.00 0.00 51.96 52.51 1xx9 s ALA 86 Cb -0.09 -2.85 -0.03 0.00 0.00 0.00 0.00 23.12 20.15 1xx9 s ALA 86 CO 0.28 0.21 0.40 0.00 0.00 0.00 0.00 175.76 176.65 1xx9 h PRO 88 N 1.29 0.00 0.00 0.00 0.13 -2.01 -3.44 132.00 127.97 1xx9 h PRO 88 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1xx9 h PRO 88 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1xx9 h PRO 88 CO 0.63 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.00 1xx9 n ASP 89 N -3.55 0.00 -4.56 1.44 5.68 -1.26 -5.07 116.55 109.23 1xx9 n ASP 89 Ca 0.02 0.00 -0.23 0.00 -0.50 0.00 0.00 54.79 54.08 1xx9 n ASP 89 Cb 0.39 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.32 1xx9 n ASP 89 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 1xx9 s GLY 90 N 0.00 -0.32 -0.00 6.12 0.00 -1.26 -4.55 107.32 107.31 1xx9 s GLY 90 Ca 0.00 -0.99 0.03 0.00 0.00 0.00 0.00 44.72 43.76 1xx9 s GLY 90 CO 0.00 3.87 0.07 1.17 0.00 0.00 0.00 173.10 178.21 1xx9 n LYS 91 N 8.88 0.23 -1.33 2.90 0.00 -1.26 -5.13 118.16 122.45 1xx9 n LYS 91 Ca 0.41 -0.03 0.06 0.00 0.00 0.00 0.00 58.31 58.76 1xx9 n LYS 91 Cb 0.46 -1.06 -0.04 0.00 0.00 0.00 0.00 35.03 34.40 1xx9 n LYS 91 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1xx9 n LYS 92 N -1.59 -3.34 -3.70 1.64 5.02 -1.25 -5.00 118.16 109.94 1xx9 n LYS 92 Ca -0.01 2.65 -0.12 0.00 -2.02 0.00 0.00 58.31 58.81 1xx9 n LYS 92 Cb 0.08 -3.49 -0.13 0.00 -0.02 0.00 0.00 35.03 31.47 1xx9 n LYS 92 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1xx9 s GLU 93 N -4.80 0.22 -0.20 1.97 2.12 0.21 -4.79 118.70 113.43 1xx9 s GLU 93 Ca 0.00 0.67 -0.29 0.00 0.36 0.00 0.00 54.97 55.71 1xx9 s GLU 93 Cb 0.00 -0.05 -0.04 0.00 0.26 0.00 0.00 34.13 34.30 1xx9 s GLU 93 CO 0.00 -0.20 1.76 0.21 -0.54 0.00 0.00 175.26 176.48 1xx9 s LYS 94 N 1.71 3.69 0.08 4.30 2.20 -1.25 -2.01 119.74 128.46 1xx9 s LYS 94 Ca -0.06 1.79 -0.16 0.00 -0.36 0.00 0.00 55.97 57.19 1xx9 s LYS 94 Cb -0.11 -4.11 0.03 0.00 -1.51 0.00 0.00 37.83 32.13 1xx9 s LYS 94 CO -0.09 -1.43 0.37 0.21 -0.36 0.00 0.00 175.35 174.04 1xx9 s LYS 95 N 4.99 0.95 -0.71 4.03 2.47 0.32 -4.95 119.74 126.84 1xx9 s LYS 95 Ca 0.78 -0.56 -0.26 0.00 -1.56 0.00 0.00 55.97 54.37 1xx9 s LYS 95 Cb -0.28 0.42 0.04 0.00 -1.46 0.00 0.00 37.83 36.55 1xx9 s LYS 95 CO 0.32 -0.34 1.18 0.12 0.16 0.00 0.00 175.35 176.79 1xx9 s PHE 96 N -3.09 2.42 -0.37 4.03 5.36 -1.26 -0.15 117.98 124.92 1xx9 s PHE 96 Ca -0.01 -0.17 -0.24 0.00 -0.96 0.00 0.00 56.93 55.55 1xx9 s PHE 96 Cb 0.01 -4.52 0.01 0.00 -0.34 0.00 0.00 43.02 38.18 1xx9 s PHE 96 CO -0.07 -1.92 0.83 0.08 -1.46 0.00 0.00 175.22 172.69 1xx9 s VAL 97 N 5.20 4.68 0.41 3.12 1.01 0.08 -4.86 120.40 130.05 1xx9 s VAL 97 Ca 0.32 0.99 0.08 0.00 0.00 0.00 0.00 61.98 63.36 1xx9 s VAL 97 Cb -0.11 -4.26 0.00 0.00 0.00 0.00 0.00 36.38 32.02 1xx9 s VAL 97 CO 0.14 -0.48 0.52 0.42 0.00 0.00 0.00 175.10 175.70 1xx9 s THR 98 N 3.24 3.01 -0.01 3.92 -4.23 -1.26 -0.71 115.64 119.60 1xx9 s THR 98 Ca 0.34 -1.08 -0.01 0.00 -1.18 0.00 0.00 61.69 59.75 1xx9 s THR 98 Cb -0.13 -3.03 -0.04 0.00 1.34 0.00 0.00 72.50 70.64 1xx9 s THR 98 CO 0.18 -0.01 0.10 0.00 -0.54 0.00 0.00 174.62 174.34 1xx9 s ALA 99 N -2.36 3.67 -0.45 3.99 0.00 -0.61 -1.20 121.76 124.79 1xx9 s ALA 99 Ca 0.53 -0.84 -0.27 0.00 0.00 0.00 0.00 51.96 51.37 1xx9 s ALA 99 Cb -0.08 -1.65 0.03 0.00 0.00 0.00 0.00 23.12 21.41 1xx9 s ALA 99 CO 0.32 0.70 1.03 -0.47 0.00 0.00 0.00 175.76 177.34 1xx9 s TYR 100 N -1.21 2.91 -0.18 0.00 5.04 -1.26 -4.74 117.35 117.90 1xx9 s TYR 100 Ca 0.23 0.64 0.18 0.00 -2.44 0.00 0.00 57.07 55.69 1xx9 s TYR 100 Cb -0.12 -4.13 -0.04 0.00 0.35 0.00 0.00 41.96 38.02 1xx9 s TYR 100 CO 0.14 -1.13 1.03 -0.07 -1.34 0.00 0.00 175.55 174.19 1xx9 h LEU 101 N 10.78 0.00 0.00 6.97 3.38 -1.93 -3.47 115.31 131.05 1xx9 h LEU 101 Ca -0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1xx9 h LEU 101 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1xx9 h LEU 101 CO 1.07 0.37 0.00 0.61 0.09 0.00 0.00 178.44 180.58 1xx9 n GLY 102 N 1.29 -0.76 0.37 0.83 0.00 -1.26 -3.73 105.19 101.93 1xx9 n GLY 102 Ca -0.04 -1.16 0.12 0.00 0.00 0.00 0.00 46.02 44.93 1xx9 n GLY 102 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1xx9 h ASP 103 N 0.90 0.69 0.09 1.61 3.32 -1.97 0.90 116.42 121.96 1xx9 h ASP 103 Ca 0.00 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1xx9 h ASP 103 Cb 0.00 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.46 1xx9 h ASP 103 CO 0.00 0.34 0.00 0.00 -1.72 0.00 0.00 179.24 177.86 1xx9 n ALA 104 N -2.42 1.32 1.11 3.45 0.00 -1.24 -2.00 120.51 120.72 1xx9 n ALA 104 Ca 0.18 -0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.73 1xx9 n ALA 104 Cb 0.47 -1.06 0.44 0.00 0.00 0.00 0.00 19.45 19.30 1xx9 n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xx9 n GLY 105 N -1.01 -1.19 3.46 0.00 0.00 0.31 -4.79 105.19 101.97 1xx9 n GLY 105 Ca 0.02 -0.27 -0.35 0.00 0.00 0.00 0.00 46.02 45.42 1xx9 n GLY 105 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1xx9 s MET 106 N -2.84 3.65 0.31 1.61 1.00 -0.85 -1.40 119.30 120.78 1xx9 s MET 106 Ca 0.17 -0.50 0.08 0.00 0.00 0.00 0.00 55.69 55.44 1xx9 s MET 106 Cb 0.19 -3.13 -0.06 0.00 0.00 0.00 0.00 34.83 31.82 1xx9 s MET 106 CO 0.59 -0.01 -0.08 -0.51 0.00 0.00 0.00 175.02 175.01 1xx9 s LEU 107 N 1.07 2.60 0.68 -0.03 1.43 0.16 -4.94 118.68 119.66 1xx9 s LEU 107 Ca 0.03 -1.19 -0.16 0.00 -1.03 0.00 0.00 54.13 51.77 1xx9 s LEU 107 Cb -0.14 -0.82 0.01 0.00 0.03 0.00 0.00 46.19 45.27 1xx9 s LEU 107 CO 0.02 -0.27 1.21 -0.13 0.23 0.00 0.00 176.35 177.41 1xx9 s ARG 108 N -3.67 2.42 -0.34 1.70 0.52 -1.26 -0.14 118.95 118.19 1xx9 s ARG 108 Ca 0.31 1.78 -0.14 0.00 -0.52 0.00 0.00 55.73 57.16 1xx9 s ARG 108 Cb 0.03 -1.86 -0.01 0.00 0.52 0.00 0.00 34.95 33.62 1xx9 s ARG 108 CO 0.14 -1.62 0.30 -0.47 0.02 0.00 0.00 175.30 173.67 1xx9 s TYR 109 N -1.85 3.22 -0.32 -0.53 6.14 -1.22 -4.38 117.35 118.40 1xx9 s TYR 109 Ca 0.75 -0.13 -0.02 0.00 0.64 0.00 0.00 57.07 58.32 1xx9 s TYR 109 Cb -0.30 -2.57 0.12 0.00 0.42 0.00 0.00 41.96 39.63 1xx9 s TYR 109 CO 0.42 -0.40 0.19 1.21 0.64 0.00 0.00 175.55 177.61 1xx9 s ASN 110 N 1.73 3.00 0.22 4.32 2.47 -1.26 -4.75 114.94 120.67 1xx9 s ASN 110 Ca 0.09 -1.64 0.21 0.00 0.42 0.00 0.00 52.86 51.94 1xx9 s ASN 110 Cb -0.17 -0.24 0.92 0.00 -1.45 0.00 0.00 41.25 40.31 1xx9 s ASN 110 CO 0.11 -0.37 1.64 -1.54 -3.72 0.00 0.00 177.10 173.22 1xx9 n SER 111 N 4.69 0.53 0.24 -4.21 3.41 -1.26 -2.70 113.62 114.33 1xx9 n SER 111 Ca 0.03 0.65 0.09 0.00 -0.26 0.00 0.00 58.87 59.39 1xx9 n SER 111 Cb 0.40 -0.76 0.61 0.00 -0.26 0.00 0.00 64.21 64.21 1xx9 n SER 111 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1xx9 h LYS 112 N 0.00 0.00 -5.00 4.33 1.57 -1.94 -3.44 116.57 112.09 1xx9 h LYS 112 Ca 0.00 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.45 1xx9 h LYS 112 Cb 0.28 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 32.40 1xx9 h LYS 112 CO 0.00 0.17 -0.74 -0.51 -0.57 0.00 0.00 179.45 177.81 1xx9 s LEU 113 N -7.68 2.39 0.31 2.94 1.43 -1.10 -5.15 118.68 111.82 1xx9 s LEU 113 Ca -0.03 -0.78 -0.12 0.00 -1.03 0.00 0.00 54.13 52.16 1xx9 s LEU 113 Cb 0.14 -0.33 -0.08 0.00 0.03 0.00 0.00 46.19 45.95 1xx9 s LEU 113 CO 0.63 -0.24 0.69 -2.16 0.23 0.00 0.00 176.35 175.50 1xx9 s PRO 114 N -2.63 3.90 -0.24 1.29 0.04 -1.26 -4.79 135.00 131.30 1xx9 s PRO 114 Ca 0.04 0.51 -0.17 0.00 0.04 0.00 0.00 61.00 61.42 1xx9 s PRO 114 Cb -0.04 -2.48 -0.03 0.00 0.04 0.00 0.00 34.50 31.99 1xx9 s PRO 114 CO 0.00 0.16 0.48 0.42 0.04 0.00 0.00 177.00 178.11 1xx9 s ILE 115 N -2.02 5.11 -0.17 0.56 1.01 -0.49 -4.93 121.20 120.27 1xx9 s ILE 115 Ca 0.52 0.83 -0.01 0.00 0.00 0.00 0.00 60.65 61.99 1xx9 s ILE 115 Cb -0.10 -3.80 -0.00 0.00 0.01 0.00 0.00 42.46 38.56 1xx9 s ILE 115 CO 0.21 0.13 -0.13 -0.69 0.00 0.00 0.00 174.94 174.46 1xx9 s VAL 116 N 2.03 2.80 -0.09 2.92 1.01 -1.26 -0.55 120.40 127.27 1xx9 s VAL 116 Ca 0.21 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.49 1xx9 s VAL 116 Cb -0.15 -2.20 0.01 0.00 0.00 0.00 0.00 36.38 34.03 1xx9 s VAL 116 CO 0.09 0.50 -0.16 -0.69 0.00 0.00 0.00 175.10 174.84 1xx9 s VAL 117 N 0.93 1.47 -0.19 2.92 1.01 0.95 0.35 120.40 127.85 1xx9 s VAL 117 Ca -0.03 -0.66 -0.09 0.00 0.00 0.00 0.00 61.98 61.20 1xx9 s VAL 117 Cb -0.15 -1.32 -0.05 0.00 0.00 0.00 0.00 36.38 34.86 1xx9 s VAL 117 CO -0.01 0.43 0.12 -0.31 0.00 0.00 0.00 175.10 175.33 1xx9 s TYR 118 N 0.71 3.40 0.17 5.22 1.51 0.71 -0.01 117.35 129.06 1xx9 s TYR 118 Ca -0.13 0.31 -0.04 0.00 -1.01 0.00 0.00 57.07 56.20 1xx9 s TYR 118 Cb -0.16 -2.12 -0.03 0.00 -0.11 0.00 0.00 41.96 39.54 1xx9 s TYR 118 CO 0.03 0.32 0.18 0.95 -1.11 0.00 0.00 175.55 175.92 1xx9 s THR 119 N 0.20 0.06 0.86 -0.71 -4.23 -0.91 0.20 115.64 111.11 1xx9 s THR 119 Ca 0.08 -1.74 -0.11 0.00 -1.18 0.00 0.00 61.69 58.74 1xx9 s THR 119 Cb -0.11 -2.11 0.12 0.00 1.34 0.00 0.00 72.50 71.74 1xx9 s THR 119 CO -0.01 -0.27 1.17 -2.84 -0.54 0.00 0.00 174.62 172.13 1xx9 s PRO 120 N -4.05 1.33 0.32 3.99 0.02 -1.26 -0.96 135.00 134.38 1xx9 s PRO 120 Ca 0.25 1.61 0.09 0.00 0.02 0.00 0.00 61.00 62.97 1xx9 s PRO 120 Cb 0.05 -1.76 0.87 0.00 0.02 0.00 0.00 34.50 33.68 1xx9 s PRO 120 CO 0.04 -2.41 1.74 -0.44 -0.33 0.00 0.00 177.00 175.60 1xx9 h ASP 121 N -1.45 0.69 -0.66 2.53 3.32 -1.46 -2.38 116.42 117.01 1xx9 h ASP 121 Ca -0.44 0.13 -0.18 0.00 0.02 0.00 0.00 57.03 56.56 1xx9 h ASP 121 Cb 1.28 0.02 -0.11 0.00 0.22 0.00 0.00 39.33 40.74 1xx9 h ASP 121 CO 0.44 0.13 0.22 -0.46 -1.72 0.00 0.00 179.24 177.85 1xx9 n ASN 122 N -4.86 4.68 -4.16 6.45 6.94 -1.26 -4.90 115.26 118.15 1xx9 n ASN 122 Ca 0.26 -3.07 -0.33 0.00 -0.02 0.00 0.00 54.58 51.43 1xx9 n ASN 122 Cb 0.72 -0.72 -0.16 0.00 -2.36 0.00 0.00 39.78 37.26 1xx9 n ASN 122 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1xx9 s VAL 123 N -2.73 2.08 0.20 3.53 1.01 -0.89 -4.81 120.40 118.78 1xx9 s VAL 123 Ca 0.50 -0.96 -0.09 0.00 0.00 0.00 0.00 61.98 61.42 1xx9 s VAL 123 Cb 0.40 -1.84 -0.07 0.00 0.00 0.00 0.00 36.38 34.87 1xx9 s VAL 123 CO 0.13 0.55 0.51 -1.81 0.00 0.00 0.00 175.10 174.47 1xx9 s ASP 124 N 0.95 6.62 -0.17 3.32 1.01 0.37 -4.72 116.67 124.05 1xx9 s ASP 124 Ca -0.04 0.87 0.01 0.00 0.71 0.00 0.00 52.55 54.10 1xx9 s ASP 124 Cb -0.15 -2.21 0.01 0.00 1.01 0.00 0.00 42.92 41.58 1xx9 s ASP 124 CO -0.05 -0.02 -0.18 -0.69 0.21 0.00 0.00 175.17 174.44 1xx9 s VAL 125 N -1.74 2.35 0.42 -1.27 1.01 -1.26 -0.73 120.40 119.18 1xx9 s VAL 125 Ca 0.45 -0.86 0.05 0.00 0.00 0.00 0.00 61.98 61.62 1xx9 s VAL 125 Cb -0.12 -1.99 -0.06 0.00 0.00 0.00 0.00 36.38 34.21 1xx9 s VAL 125 CO 0.21 0.52 0.02 -0.54 0.00 0.00 0.00 175.10 175.32 1xx9 s LYS 126 N 1.05 1.96 0.01 2.72 1.02 0.47 -4.99 119.74 121.98 1xx9 s LYS 126 Ca -0.01 -2.14 -0.20 0.00 0.02 0.00 0.00 55.97 53.64 1xx9 s LYS 126 Cb -0.14 -1.48 0.04 0.00 -0.52 0.00 0.00 37.83 35.73 1xx9 s LYS 126 CO -0.05 -0.14 0.46 1.52 -0.92 0.00 0.00 175.35 176.21 1xx9 s TYR 127 N -2.84 -0.35 0.02 3.18 1.13 -1.26 -1.09 117.35 116.14 1xx9 s TYR 127 Ca 0.30 0.46 0.03 0.00 -1.41 0.00 0.00 57.07 56.44 1xx9 s TYR 127 Cb 0.08 0.24 -0.02 0.00 -1.10 0.00 0.00 41.96 41.17 1xx9 s TYR 127 CO 0.15 -0.54 -0.09 0.50 -2.51 0.00 0.00 175.55 173.05 1xx9 s ARG 128 N -1.90 0.67 -0.12 -3.49 3.52 -0.60 -4.98 118.95 112.05 1xx9 s ARG 128 Ca -0.09 -0.56 -0.10 0.00 -0.13 0.00 0.00 55.73 54.86 1xx9 s ARG 128 Cb -0.02 -0.60 -0.05 0.00 -1.56 0.00 0.00 34.95 32.73 1xx9 s ARG 128 CO 0.02 0.15 0.21 0.08 -0.81 0.00 0.00 175.30 174.94 1xx9 s VAL 129 N -0.74 5.38 -0.00 7.11 1.01 -1.26 -0.99 120.40 130.91 1xx9 s VAL 129 Ca -0.01 0.37 0.05 0.00 0.00 0.00 0.00 61.98 62.38 1xx9 s VAL 129 Cb -0.06 -3.50 -0.03 0.00 0.00 0.00 0.00 36.38 32.78 1xx9 s VAL 129 CO 0.00 0.55 -0.13 0.26 0.00 0.00 0.00 175.10 175.78 1xx9 s TRP 130 N -0.56 2.71 -0.03 5.22 0.52 -0.57 -4.98 118.94 121.24 1xx9 s TRP 130 Ca 0.15 -0.16 0.04 0.00 0.02 0.00 0.00 56.10 56.16 1xx9 s TRP 130 Cb -0.13 -1.56 -0.01 0.00 -1.15 0.00 0.00 33.47 30.63 1xx9 s TRP 130 CO 0.04 0.27 -0.17 0.21 0.02 0.00 0.00 176.95 177.33 1xx9 s LYS 131 N -1.20 1.64 0.24 4.98 2.20 -1.26 -2.09 119.74 124.25 1xx9 s LYS 131 Ca 0.14 -0.59 -0.30 0.00 -0.36 0.00 0.00 55.97 54.87 1xx9 s LYS 131 Cb -0.11 -1.46 -0.09 0.00 -1.51 0.00 0.00 37.83 34.66 1xx9 s LYS 131 CO 0.04 0.27 1.07 0.00 -0.36 0.00 0.00 175.35 176.37 1xx9 s ALA 132 N -0.06 3.38 0.68 3.13 0.00 -0.76 -5.02 121.76 123.12 1xx9 s ALA 132 Ca -0.01 0.82 -0.11 0.00 0.00 0.00 0.00 51.96 52.66 1xx9 s ALA 132 Cb -0.10 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.71 1xx9 s ALA 132 CO 0.01 -0.10 1.06 -1.21 0.00 0.00 0.00 175.76 175.52 1xx9 s GLU 133 N -1.10 3.03 0.14 0.00 2.02 -1.26 -4.98 118.70 116.56 1xx9 s GLU 133 Ca 0.45 0.88 -0.13 0.00 0.02 0.00 0.00 54.97 56.19 1xx9 s GLU 133 Cb -0.30 -2.01 0.00 0.00 0.10 0.00 0.00 34.13 31.92 1xx9 s GLU 133 CO 0.38 -1.01 1.58 1.49 0.02 0.00 0.00 175.26 177.71 1xx9 h GLU 134 N -0.65 0.83 -7.04 1.61 4.81 -2.02 -3.45 114.58 108.67 1xx9 h GLU 134 Ca -0.44 -0.28 -0.50 0.00 -0.13 0.00 0.00 59.36 58.01 1xx9 h GLU 134 Cb 1.21 -0.07 0.06 0.00 0.63 0.00 0.00 28.75 30.58 1xx9 h GLU 134 CO 0.58 0.90 0.44 0.21 -0.73 0.00 0.00 179.01 180.41 1xx9 s LYS 135 N -4.95 3.67 -0.10 1.92 2.20 -1.26 -5.06 119.74 116.16 1xx9 s LYS 135 Ca -0.12 1.63 -0.00 0.00 -0.36 0.00 0.00 55.97 57.11 1xx9 s LYS 135 Cb 0.11 -2.24 0.02 0.00 -1.51 0.00 0.00 37.83 34.21 1xx9 s LYS 135 CO 0.82 -0.59 -0.07 0.42 -0.36 0.00 0.00 175.35 175.57 1xx9 s ILE 136 N -1.69 0.95 0.35 5.43 1.01 -1.26 -5.15 121.20 120.84 1xx9 s ILE 136 Ca 0.67 -0.25 0.08 0.00 0.00 0.00 0.00 60.65 61.14 1xx9 s ILE 136 Cb -0.25 -0.98 -0.04 0.00 0.01 0.00 0.00 42.46 41.21 1xx9 s ILE 136 CO 0.29 0.35 0.22 -1.81 0.00 0.00 0.00 174.94 173.99 1xx9 s ASP 137 N 1.66 4.93 0.15 3.58 1.01 -1.26 -5.13 116.67 121.61 1xx9 s ASP 137 Ca 0.03 -0.68 -0.03 0.00 0.71 0.00 0.00 52.55 52.59 1xx9 s ASP 137 Cb -0.13 -0.80 -0.05 0.00 1.01 0.00 0.00 42.92 42.95 1xx9 s ASP 137 CO -0.07 -0.35 0.35 0.20 0.21 0.00 0.00 175.17 175.51 1xx9 s ASN 138 N -3.93 6.43 0.50 0.27 0.01 -1.26 -5.09 114.94 111.88 1xx9 s ASN 138 Ca 0.40 0.47 -0.09 0.00 -0.71 0.00 0.00 52.86 52.93 1xx9 s ASN 138 Cb -0.04 -2.04 -0.05 0.00 0.41 0.00 0.00 41.25 39.54 1xx9 s ASN 138 CO 0.24 0.04 0.86 0.00 -1.51 0.00 0.00 177.10 176.73 1xx9 s ALA 139 N -1.70 3.29 -0.24 0.60 0.00 -1.26 -5.04 121.76 117.40 1xx9 s ALA 139 Ca 0.39 -0.28 -0.08 0.00 0.00 0.00 0.00 51.96 51.99 1xx9 s ALA 139 Cb -0.12 -2.78 -0.04 0.00 0.00 0.00 0.00 23.12 20.19 1xx9 s ALA 139 CO 0.27 -0.34 0.10 0.08 0.00 0.00 0.00 175.76 175.86 1xx9 s VAL 140 N -2.75 4.63 -0.72 0.00 1.01 -1.26 -5.04 120.40 116.27 1xx9 s VAL 140 Ca 0.51 -0.07 -0.26 0.00 0.00 0.00 0.00 61.98 62.16 1xx9 s VAL 140 Cb -0.10 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 33.12 1xx9 s VAL 140 CO 0.43 0.34 1.59 -0.69 0.00 0.00 0.00 175.10 176.77 1xx9 s VAL 141 N 1.41 3.56 0.00 2.92 1.01 -1.26 -5.37 120.40 122.66 1xx9 s VAL 141 Ca 0.06 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.22 1xx9 s VAL 141 Cb -0.15 -4.44 0.00 0.00 0.00 0.00 0.00 36.38 31.79 1xx9 s VAL 141 CO 0.05 -1.39 0.00 -2.11 0.00 0.00 0.00 175.10 171.65