#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rq8 s LEU 1 N 0.00 5.45 -0.52 4.03 2.01 -1.26 -4.98 118.68 123.41 2rq8 s LEU 1 Ca 0.00 -3.64 0.04 0.00 0.01 0.00 0.00 54.13 50.54 2rq8 s LEU 1 Cb 0.00 -1.88 0.14 0.00 0.01 0.00 0.00 46.19 44.46 2rq8 s LEU 1 CO 0.00 -0.20 0.28 -0.63 1.01 0.00 0.00 176.35 176.81 2rq8 s ILE 2 N -1.21 2.33 -0.14 -0.59 -1.09 -1.26 -5.02 121.20 114.22 2rq8 s ILE 2 Ca 0.26 -3.24 -0.00 0.00 -2.23 0.00 0.00 60.65 55.44 2rq8 s ILE 2 Cb -0.08 -2.61 -0.01 0.00 -1.58 0.00 0.00 42.46 38.17 2rq8 s ILE 2 CO -0.12 -0.85 -0.14 -1.61 -1.23 0.00 0.00 174.94 171.00 2rq8 s GLU 3 N -0.26 3.31 0.33 2.79 0.41 -1.26 -4.81 118.70 119.21 2rq8 s GLU 3 Ca 0.18 -0.71 -0.29 0.00 -0.41 0.00 0.00 54.97 53.74 2rq8 s GLU 3 Cb -0.23 -2.64 -0.11 0.00 -1.78 0.00 0.00 34.13 29.37 2rq8 s GLU 3 CO -0.02 0.13 1.48 0.08 -0.49 0.00 0.00 175.26 176.44 2rq8 s VAL 4 N 0.56 2.24 -0.16 2.63 1.01 -1.26 -4.49 120.40 120.93 2rq8 s VAL 4 Ca -0.09 0.22 0.12 0.00 0.00 0.00 0.00 61.98 62.24 2rq8 s VAL 4 Cb -0.16 -3.14 -0.23 0.00 0.00 0.00 0.00 36.38 32.85 2rq8 s VAL 4 CO 0.04 0.05 0.21 1.21 0.00 0.00 0.00 175.10 176.60 2rq8 n GLU 5 N 1.18 0.67 -3.13 2.72 4.07 0.87 -4.78 120.64 122.25 2rq8 n GLU 5 Ca 0.03 0.12 -0.17 0.00 -0.06 0.00 0.00 57.16 57.08 2rq8 n GLU 5 Cb 0.39 -1.61 -0.05 0.00 -0.06 0.00 0.00 31.44 30.11 2rq8 n GLU 5 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 2rq8 s LYS 6 N -2.53 0.97 0.51 5.31 -0.14 -1.22 -4.94 119.74 117.70 2rq8 s LYS 6 Ca -0.13 -1.64 -0.09 0.00 -1.36 0.00 0.00 55.97 52.75 2rq8 s LYS 6 Cb 0.07 -0.83 0.13 0.00 -1.68 0.00 0.00 37.83 35.52 2rq8 s LYS 6 CO 0.79 -1.36 0.45 -0.35 -0.76 0.00 0.00 175.35 174.12 2rq8 n PRO 7 N 2.93 -1.91 -3.63 -1.68 -0.04 -1.26 -2.64 135.00 126.77 2rq8 n PRO 7 Ca 0.24 -0.73 -0.37 0.00 -0.04 0.00 0.00 63.50 62.60 2rq8 n PRO 7 Cb 0.51 -0.68 -0.07 0.00 -0.04 0.00 0.00 33.50 33.22 2rq8 n PRO 7 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2rq8 s LEU 8 N 0.00 5.58 0.00 1.53 1.02 -1.26 -4.89 118.68 120.66 2rq8 s LEU 8 Ca 0.29 -3.34 0.14 0.00 0.02 0.00 0.00 54.13 51.25 2rq8 s LEU 8 Cb -0.03 -1.93 0.68 0.00 0.02 0.00 0.00 46.19 44.93 2rq8 s LEU 8 CO 0.23 -0.28 1.42 -0.81 0.02 0.00 0.00 176.35 176.93 2rq8 n PRO 9 N 2.87 0.12 0.00 1.29 -0.04 -1.26 -4.39 135.00 133.58 2rq8 n PRO 9 Ca 0.16 0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.82 2rq8 n PRO 9 Cb 0.38 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 2rq8 n PRO 9 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2rq8 n GLY 10 N -0.04 -0.83 3.89 0.55 0.00 -1.26 -4.84 105.19 102.65 2rq8 n GLY 10 Ca 0.05 0.89 -0.33 0.00 0.00 0.00 0.00 46.02 46.63 2rq8 n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2rq8 s VAL 11 N 0.00 5.12 -0.06 1.61 1.01 -1.17 -5.02 120.40 121.89 2rq8 s VAL 11 Ca 0.00 0.21 0.03 0.00 0.00 0.00 0.00 61.98 62.22 2rq8 s VAL 11 Cb 0.00 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.76 2rq8 s VAL 11 CO 0.00 0.10 -0.15 -1.83 0.00 0.00 0.00 175.10 173.22 2rq8 s GLU 12 N -2.44 1.86 0.25 2.72 4.04 -1.26 -1.64 118.70 122.22 2rq8 s GLU 12 Ca 0.39 -0.54 -0.05 0.00 0.04 0.00 0.00 54.97 54.81 2rq8 s GLU 12 Cb -0.13 -1.54 -0.02 0.00 0.02 0.00 0.00 34.13 32.46 2rq8 s GLU 12 CO 0.22 0.13 0.32 0.14 -1.84 0.00 0.00 175.26 174.23 2rq8 s VAL 13 N 0.36 0.00 0.57 1.83 -7.23 -0.93 -4.83 120.40 110.18 2rq8 s VAL 13 Ca -0.10 -1.73 -0.01 0.00 -1.81 0.00 0.00 61.98 58.33 2rq8 s VAL 13 Cb -0.14 -2.42 0.03 0.00 0.56 0.00 0.00 36.38 34.42 2rq8 s VAL 13 CO 0.04 0.00 0.82 -0.36 -0.31 0.00 0.00 175.10 175.29 2rq8 s PHE 14 N -3.88 2.94 -0.25 2.82 0.08 -1.26 -0.10 117.98 118.33 2rq8 s PHE 14 Ca 0.32 0.15 -0.29 0.00 0.12 0.00 0.00 56.93 57.23 2rq8 s PHE 14 Cb 0.03 -2.79 0.01 0.00 -0.57 0.00 0.00 43.02 39.70 2rq8 s PHE 14 CO 0.13 -0.92 1.06 0.08 -0.10 0.00 0.00 175.22 175.47 2rq8 s VAL 15 N -2.85 4.62 -1.32 -0.44 1.01 -0.69 -3.92 120.40 116.82 2rq8 s VAL 15 Ca 0.57 1.94 -0.03 0.00 0.00 0.00 0.00 61.98 64.45 2rq8 s VAL 15 Cb -0.10 -4.32 -0.00 0.00 0.00 0.00 0.00 36.38 31.95 2rq8 s VAL 15 CO 0.40 -0.25 0.60 0.61 0.00 0.00 0.00 175.10 176.46 2rq8 n GLY 16 N 3.47 -0.37 0.00 4.51 0.00 -1.26 -4.82 105.19 106.72 2rq8 n GLY 16 Ca 0.12 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.33 2rq8 n GLY 16 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2rq8 n GLU 17 N -4.29 0.00 -4.26 1.61 -0.58 -1.25 -4.59 120.64 107.28 2rq8 n GLU 17 Ca -0.27 0.00 -0.19 0.00 -0.42 0.00 0.00 57.16 56.28 2rq8 n GLU 17 Cb 0.67 0.00 -0.13 0.00 -0.57 0.00 0.00 31.44 31.41 2rq8 n GLU 17 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 2rq8 s THR 18 N 1.13 1.10 -0.28 2.62 2.01 -1.26 -2.11 115.64 118.85 2rq8 s THR 18 Ca 0.00 -1.14 0.02 0.00 0.31 0.00 0.00 61.69 60.88 2rq8 s THR 18 Cb 0.00 -1.03 0.07 0.00 0.01 0.00 0.00 72.50 71.56 2rq8 s THR 18 CO 0.00 -0.11 -0.03 0.00 -0.69 0.00 0.00 174.62 173.79 2rq8 s ALA 19 N -1.05 2.43 -0.24 7.40 0.00 -0.26 -4.11 121.76 125.92 2rq8 s ALA 19 Ca -0.00 -1.88 -0.12 0.00 0.00 0.00 0.00 51.96 49.96 2rq8 s ALA 19 Cb -0.09 -1.66 -0.05 0.00 0.00 0.00 0.00 23.12 21.32 2rq8 s ALA 19 CO 0.02 -1.38 0.21 -1.01 0.00 0.00 0.00 175.76 173.60 2rq8 s HIS 20 N 1.16 3.31 -0.08 0.00 3.76 -1.26 -1.73 115.29 120.44 2rq8 s HIS 20 Ca -0.01 0.29 -0.00 0.00 -0.15 0.00 0.00 55.06 55.18 2rq8 s HIS 20 Cb -0.19 -2.34 0.02 0.00 1.11 0.00 0.00 32.58 31.19 2rq8 s HIS 20 CO -0.08 0.02 -0.04 -0.06 -0.85 0.00 0.00 174.74 173.72 2rq8 s PHE 21 N 1.22 1.06 -0.02 1.40 0.08 -1.08 -4.87 117.98 115.77 2rq8 s PHE 21 Ca 0.10 -0.43 0.03 0.00 0.12 0.00 0.00 56.93 56.74 2rq8 s PHE 21 Cb -0.14 -0.97 -0.00 0.00 -0.57 0.00 0.00 43.02 41.33 2rq8 s PHE 21 CO 0.06 -0.38 -0.09 -2.00 -0.10 0.00 0.00 175.22 172.71 2rq8 s GLU 22 N 1.64 0.82 0.19 0.44 2.12 -1.26 -1.90 118.70 120.76 2rq8 s GLU 22 Ca 0.02 -0.30 -0.04 0.00 0.36 0.00 0.00 54.97 55.01 2rq8 s GLU 22 Cb -0.13 -0.78 -0.03 0.00 0.26 0.00 0.00 34.13 33.45 2rq8 s GLU 22 CO -0.05 0.14 0.20 0.96 -0.54 0.00 0.00 175.26 175.97 2rq8 s ILE 23 N 0.02 0.02 -0.05 -3.70 -0.00 -1.22 -4.69 121.20 111.58 2rq8 s ILE 23 Ca -0.00 -1.80 0.06 0.00 -0.00 0.00 0.00 60.65 58.90 2rq8 s ILE 23 Cb -0.06 -2.30 -0.01 0.00 -0.00 0.00 0.00 42.46 40.09 2rq8 s ILE 23 CO 0.00 -0.11 -0.23 -1.61 -0.00 0.00 0.00 174.94 172.99 2rq8 s GLU 24 N -4.09 2.32 0.00 0.37 2.02 -1.08 -3.39 118.70 114.85 2rq8 s GLU 24 Ca 0.31 -0.83 0.08 0.00 0.02 0.00 0.00 54.97 54.55 2rq8 s GLU 24 Cb 0.05 -1.99 -0.05 0.00 0.10 0.00 0.00 34.13 32.24 2rq8 s GLU 24 CO 0.08 0.35 0.45 1.28 0.02 0.00 0.00 175.26 177.44 2rq8 n LEU 25 N 2.98 0.71 -2.44 1.80 7.99 -1.21 -0.09 117.00 126.74 2rq8 n LEU 25 Ca -0.18 -0.62 -0.12 0.00 -0.01 0.00 0.00 56.01 55.08 2rq8 n LEU 25 Cb 0.52 0.00 -0.01 0.00 -0.11 0.00 0.00 43.42 43.83 2rq8 n LEU 25 CO 0.25 0.15 -0.16 -0.24 -1.51 0.00 0.00 177.39 175.89 2rq8 n SER 26 N -0.78 -3.92 -2.72 -1.43 2.88 -1.26 -4.46 113.62 101.93 2rq8 n SER 26 Ca 0.02 0.19 -0.04 0.00 -1.33 0.00 0.00 58.87 57.72 2rq8 n SER 26 Cb 0.15 -3.33 0.02 0.00 -0.75 0.00 0.00 64.21 60.30 2rq8 n SER 26 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 2rq8 n GLU 27 N -2.81 0.35 0.00 -1.46 4.07 -1.26 -5.00 120.64 114.54 2rq8 n GLU 27 Ca -0.15 -1.49 0.07 0.00 -0.06 0.00 0.00 57.16 55.53 2rq8 n GLU 27 Cb 0.61 -0.78 0.34 0.00 -0.06 0.00 0.00 31.44 31.55 2rq8 n GLU 27 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 2rq8 n PRO 28 N 2.74 0.09 0.13 5.31 -0.04 -1.26 -3.13 135.00 138.83 2rq8 n PRO 28 Ca 0.15 0.21 0.19 0.00 -0.04 0.00 0.00 63.50 64.00 2rq8 n PRO 28 Cb 0.60 -1.50 0.77 0.00 -0.04 0.00 0.00 33.50 33.33 2rq8 n PRO 28 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 2rq8 h ASP 29 N 0.00 0.00 -3.99 3.54 1.82 -1.94 -3.42 116.42 112.43 2rq8 h ASP 29 Ca 0.00 0.00 -0.22 0.00 -0.39 0.00 0.00 57.03 56.42 2rq8 h ASP 29 Cb 0.20 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.18 2rq8 h ASP 29 CO 0.00 0.00 -0.14 1.33 -1.61 0.00 0.00 179.24 178.82 2rq8 n VAL 30 N -3.85 0.00 -4.57 2.25 0.24 -1.18 -5.17 118.33 106.05 2rq8 n VAL 30 Ca 0.05 -0.83 -0.27 0.00 -2.04 0.00 0.00 64.34 61.25 2rq8 n VAL 30 Cb 0.50 -0.04 -0.08 0.00 -1.47 0.00 0.00 33.84 32.75 2rq8 n VAL 30 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 2rq8 s HIS 31 N -1.37 1.81 0.30 6.34 3.76 -1.26 -5.04 115.29 119.83 2rq8 s HIS 31 Ca 0.05 -1.21 -0.02 0.00 -0.15 0.00 0.00 55.06 53.73 2rq8 s HIS 31 Cb -0.00 -1.27 -0.01 0.00 1.11 0.00 0.00 32.58 32.41 2rq8 s HIS 31 CO 0.03 -0.18 0.37 0.20 -0.85 0.00 0.00 174.74 174.31 2rq8 s GLY 32 N -3.67 1.53 -0.01 -2.22 0.00 -1.26 -1.84 107.32 99.85 2rq8 s GLY 32 Ca 0.20 -1.58 -0.07 0.00 0.00 0.00 0.00 44.72 43.26 2rq8 s GLY 32 CO 0.12 -1.12 0.14 1.20 0.00 0.00 0.00 173.10 173.44 2rq8 s GLN 33 N -3.48 0.44 -0.24 2.90 -0.21 0.27 -4.97 119.66 114.36 2rq8 s GLN 33 Ca 0.33 -0.30 -0.07 0.00 0.02 0.00 0.00 55.36 55.35 2rq8 s GLN 33 Cb 0.02 0.18 -0.03 0.00 1.00 0.00 0.00 33.01 34.18 2rq8 s GLN 33 CO 0.19 -0.10 0.05 -1.58 -2.12 0.00 0.00 175.29 171.73 2rq8 s TRP 34 N -1.14 3.07 -0.09 0.91 0.52 -1.26 -1.22 118.94 119.73 2rq8 s TRP 34 Ca -0.12 -0.49 -0.02 0.00 0.02 0.00 0.00 56.10 55.50 2rq8 s TRP 34 Cb -0.07 -2.22 -0.03 0.00 -1.15 0.00 0.00 33.47 30.00 2rq8 s TRP 34 CO 0.01 -0.38 -0.01 0.15 0.02 0.00 0.00 176.95 176.75 2rq8 s LYS 35 N 1.58 3.02 0.00 4.98 1.02 0.60 -3.75 119.74 127.18 2rq8 s LYS 35 Ca 0.06 -0.44 -0.01 0.00 0.02 0.00 0.00 55.97 55.60 2rq8 s LYS 35 Cb -0.15 -2.78 -0.01 0.00 -0.52 0.00 0.00 37.83 34.37 2rq8 s LYS 35 CO 0.03 0.65 0.02 -1.17 -0.92 0.00 0.00 175.35 173.96 2rq8 s LEU 36 N -0.75 1.98 0.64 3.17 2.96 -1.26 -2.67 118.68 122.74 2rq8 s LEU 36 Ca 0.12 -0.15 0.41 0.00 -0.22 0.00 0.00 54.13 54.29 2rq8 s LEU 36 Cb -0.11 0.15 2.16 0.00 0.50 0.00 0.00 46.19 48.89 2rq8 s LEU 36 CO 0.02 -0.14 2.28 0.50 -1.32 0.00 0.00 176.35 177.70 2rq8 h LYS 37 N 5.46 0.00 0.09 1.98 3.64 -1.98 -3.13 116.57 122.63 2rq8 h LYS 37 Ca -0.27 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.10 2rq8 h LYS 37 Cb 1.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 2rq8 h LYS 37 CO 0.46 0.00 -0.04 0.78 -2.27 0.00 0.00 179.45 178.38 2rq8 h GLY 38 N 0.46 -0.12 -1.86 5.01 0.00 -1.98 -3.46 103.07 101.11 2rq8 h GLY 38 Ca -0.00 0.04 -0.49 0.00 0.00 0.00 0.00 47.33 46.89 2rq8 h GLY 38 CO 0.00 -0.04 0.29 1.20 0.00 0.00 0.00 176.54 177.99 2rq8 s GLN 39 N -1.87 3.77 0.00 4.80 -1.52 -1.18 -5.01 119.66 118.65 2rq8 s GLN 39 Ca -0.02 0.70 -0.24 0.00 -1.95 0.00 0.00 55.36 53.85 2rq8 s GLN 39 Cb 0.00 -2.21 -0.18 0.00 -0.22 0.00 0.00 33.01 30.40 2rq8 s GLN 39 CO 0.05 -0.28 1.29 -1.00 -0.25 0.00 0.00 175.29 175.11 2rq8 h PRO 40 N 0.62 0.13 0.00 2.91 0.13 -1.90 -3.40 132.00 130.49 2rq8 h PRO 40 Ca -0.46 -0.07 -0.35 0.00 -0.87 0.00 0.00 66.00 64.25 2rq8 h PRO 40 Cb 1.19 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.23 2rq8 h PRO 40 CO 0.62 0.59 -0.33 1.47 -0.23 0.00 0.00 178.00 180.12 2rq8 n LEU 41 N -4.74 0.00 -4.91 1.56 -0.00 -1.26 -4.91 117.00 102.74 2rq8 n LEU 41 Ca -0.08 -2.40 -0.28 0.00 -0.00 0.00 0.00 56.01 53.26 2rq8 n LEU 41 Cb 0.29 1.36 0.02 0.00 -0.00 0.00 0.00 43.42 45.09 2rq8 n LEU 41 CO 0.36 -0.41 0.53 0.00 -0.00 0.00 0.00 177.39 177.87 2rq8 s ALA 42 N -2.98 3.29 -1.15 1.47 0.00 -1.25 -4.16 121.76 116.99 2rq8 s ALA 42 Ca 0.30 -0.54 0.00 0.00 0.00 0.00 0.00 51.96 51.72 2rq8 s ALA 42 Cb 0.01 -2.67 0.00 0.00 0.00 0.00 0.00 23.12 20.46 2rq8 s ALA 42 CO 0.21 -0.65 0.00 0.00 0.00 0.00 0.00 175.76 175.32 2rq8 n ALA 43 N -2.51 -0.37 -0.84 0.00 0.00 -1.26 -4.99 120.51 110.53 2rq8 n ALA 43 Ca 0.03 0.11 -0.30 0.00 0.00 0.00 0.00 53.44 53.28 2rq8 n ALA 43 Cb 0.56 -1.57 0.16 0.00 0.00 0.00 0.00 19.45 18.61 2rq8 n ALA 43 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2rq8 s SER 44 N -2.44 2.98 0.00 0.00 1.04 -1.26 -4.89 113.70 109.14 2rq8 s SER 44 Ca 0.00 1.93 0.15 0.00 0.48 0.00 0.00 55.95 58.50 2rq8 s SER 44 Cb 0.00 -2.47 0.70 0.00 0.10 0.00 0.00 66.02 64.35 2rq8 s SER 44 CO 0.00 -3.02 1.42 -0.81 0.98 0.00 0.00 173.24 171.81 2rq8 n PRO 45 N -4.17 0.14 -0.01 4.02 -0.04 -1.26 -1.85 135.00 131.84 2rq8 n PRO 45 Ca 0.09 0.18 0.07 0.00 -0.04 0.00 0.00 63.50 63.80 2rq8 n PRO 45 Cb 0.53 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.55 2rq8 n PRO 45 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2rq8 n ASP 46 N -1.36 2.17 -4.36 3.54 9.92 -1.26 -5.00 116.55 120.20 2rq8 n ASP 46 Ca 0.06 -1.58 -0.18 0.00 -0.53 0.00 0.00 54.79 52.56 2rq8 n ASP 46 Cb 0.13 -0.01 -0.10 0.00 -0.64 0.00 0.00 41.12 40.50 2rq8 n ASP 46 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2rq8 s GLU 48 N -3.87 0.82 -0.31 0.00 2.02 -1.17 -4.50 118.70 111.68 2rq8 s GLU 48 Ca 0.31 -0.05 0.00 0.00 0.02 0.00 0.00 54.97 55.25 2rq8 s GLU 48 Cb 0.06 -0.96 0.07 0.00 0.10 0.00 0.00 34.13 33.40 2rq8 s GLU 48 CO 0.11 -0.17 0.01 0.42 0.02 0.00 0.00 175.26 175.64 2rq8 s ILE 49 N 1.36 2.72 -0.32 -1.63 1.01 -1.26 -2.05 121.20 121.03 2rq8 s ILE 49 Ca -0.04 -1.69 -0.03 0.00 0.00 0.00 0.00 60.65 58.89 2rq8 s ILE 49 Cb -0.13 -2.68 0.05 0.00 0.01 0.00 0.00 42.46 39.71 2rq8 s ILE 49 CO -0.02 -0.25 0.04 -0.63 0.00 0.00 0.00 174.94 174.07 2rq8 s ILE 50 N 1.14 3.17 -0.57 2.92 -1.09 -0.77 -4.99 121.20 121.01 2rq8 s ILE 50 Ca -0.02 -1.39 -0.19 0.00 -2.23 0.00 0.00 60.65 56.82 2rq8 s ILE 50 Cb -0.20 -2.85 0.09 0.00 -1.58 0.00 0.00 42.46 37.92 2rq8 s ILE 50 CO -0.04 -0.17 0.70 -0.70 -1.23 0.00 0.00 174.94 173.51 2rq8 s GLU 51 N 1.27 3.07 -0.54 2.79 2.12 -1.26 -1.86 118.70 124.29 2rq8 s GLU 51 Ca -0.03 -1.17 -0.16 0.00 0.36 0.00 0.00 54.97 53.96 2rq8 s GLU 51 Cb -0.20 -4.22 0.12 0.00 0.26 0.00 0.00 34.13 30.09 2rq8 s GLU 51 CO -0.01 -1.48 0.51 0.34 -0.54 0.00 0.00 175.26 174.09 2rq8 s ASP 52 N 3.39 6.19 1.50 -1.70 2.15 -0.08 -4.95 116.67 123.18 2rq8 s ASP 52 Ca 0.13 -1.73 0.00 0.00 0.43 0.00 0.00 52.55 51.38 2rq8 s ASP 52 Cb -0.22 -2.22 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 2rq8 s ASP 52 CO 0.08 -0.87 0.00 0.61 -0.17 0.00 0.00 175.17 174.82 2rq8 n GLY 53 N 5.25 2.95 1.01 2.66 0.00 -1.26 -2.00 105.19 113.80 2rq8 n GLY 53 Ca -0.13 -0.11 0.12 0.00 0.00 0.00 0.00 46.02 45.90 2rq8 n GLY 53 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2rq8 n LYS 54 N 10.27 2.36 -4.20 1.61 0.00 -1.26 -4.58 118.16 122.36 2rq8 n LYS 54 Ca 0.00 -2.01 -0.31 0.00 -0.00 0.00 0.00 58.31 55.99 2rq8 n LYS 54 Cb 0.00 -1.48 -0.08 0.00 -0.00 0.00 0.00 35.03 33.46 2rq8 n LYS 54 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2rq8 s LYS 55 N -1.78 2.58 -0.09 -1.58 1.02 -0.84 -3.28 119.74 115.77 2rq8 s LYS 55 Ca 0.33 -0.78 0.01 0.00 0.02 0.00 0.00 55.97 55.54 2rq8 s LYS 55 Cb 0.21 -2.56 0.02 0.00 -0.52 0.00 0.00 37.83 34.99 2rq8 s LYS 55 CO 0.31 0.56 -0.08 -1.01 -0.92 0.00 0.00 175.35 174.21 2rq8 s HIS 56 N -1.23 1.34 -0.10 3.18 3.76 -1.22 -0.90 115.29 120.12 2rq8 s HIS 56 Ca 0.23 -0.57 -0.00 0.00 -0.15 0.00 0.00 55.06 54.57 2rq8 s HIS 56 Cb -0.12 -1.08 -0.03 0.00 1.11 0.00 0.00 32.58 32.47 2rq8 s HIS 56 CO 0.15 -0.38 -0.08 -1.50 -0.85 0.00 0.00 174.74 172.08 2rq8 s ILE 57 N 1.25 3.58 -0.11 0.60 1.10 -0.78 -3.45 121.20 123.40 2rq8 s ILE 57 Ca -0.04 -0.51 0.00 0.00 -0.51 0.00 0.00 60.65 59.60 2rq8 s ILE 57 Cb -0.14 -2.49 0.02 0.00 0.15 0.00 0.00 42.46 40.01 2rq8 s ILE 57 CO -0.03 0.56 -0.08 -0.22 -2.11 0.00 0.00 174.94 173.06 2rq8 s LEU 58 N -0.35 1.27 -0.27 8.50 1.98 -0.80 -1.84 118.68 127.16 2rq8 s LEU 58 Ca 0.05 -0.30 -0.09 0.00 -2.89 0.00 0.00 54.13 50.89 2rq8 s LEU 58 Cb -0.12 -0.84 -0.03 0.00 0.66 0.00 0.00 46.19 45.85 2rq8 s LEU 58 CO 0.02 -0.09 0.13 -0.63 -1.89 0.00 0.00 176.35 173.89 2rq8 s ILE 59 N 1.52 4.74 -0.26 6.68 1.01 -0.87 -2.63 121.20 131.39 2rq8 s ILE 59 Ca 0.02 -0.09 0.01 0.00 0.00 0.00 0.00 60.65 60.59 2rq8 s ILE 59 Cb -0.13 -3.27 0.05 0.00 0.01 0.00 0.00 42.46 39.12 2rq8 s ILE 59 CO -0.06 0.25 -0.09 -0.22 0.00 0.00 0.00 174.94 174.82 2rq8 s LEU 60 N 1.67 3.40 0.57 2.97 1.98 -0.71 -3.05 118.68 125.51 2rq8 s LEU 60 Ca 0.06 -1.26 -0.15 0.00 -2.89 0.00 0.00 54.13 49.89 2rq8 s LEU 60 Cb -0.16 -1.59 -0.05 0.00 0.66 0.00 0.00 46.19 45.05 2rq8 s LEU 60 CO 0.07 -0.18 1.02 -1.00 -1.89 0.00 0.00 176.35 174.37 2rq8 s HIS 61 N 1.17 3.32 -0.37 5.38 3.76 -1.26 -1.10 115.29 126.18 2rq8 s HIS 61 Ca -0.06 1.45 -0.10 0.00 -0.15 0.00 0.00 55.06 56.20 2rq8 s HIS 61 Cb -0.19 -2.85 0.01 0.00 1.11 0.00 0.00 32.58 30.66 2rq8 s HIS 61 CO -0.05 -0.71 0.47 0.09 -0.85 0.00 0.00 174.74 173.69 2rq8 n ASN 62 N -2.03 -6.50 -0.98 1.40 3.02 -0.90 -4.92 115.26 104.35 2rq8 n ASN 62 Ca 0.07 0.32 0.06 0.00 -0.03 0.00 0.00 54.58 55.00 2rq8 n ASN 62 Cb 0.54 -4.33 0.21 0.00 -0.61 0.00 0.00 39.78 35.58 2rq8 n ASN 62 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2rq8 n GLN 64 N 0.60 -0.70 -2.54 0.00 10.64 -1.26 -4.14 117.38 119.98 2rq8 n GLN 64 Ca 0.15 0.00 -0.05 0.00 -1.83 0.00 0.00 57.00 55.27 2rq8 n GLN 64 Cb 0.52 0.00 0.01 0.00 -0.86 0.00 0.00 30.24 29.91 2rq8 n GLN 64 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.06 175.12 2rq8 n LEU 65 N 0.00 -6.26 0.00 2.61 7.94 -1.26 -4.89 117.00 115.15 2rq8 n LEU 65 Ca 0.00 0.30 0.00 0.00 -1.11 0.00 0.00 56.01 55.20 2rq8 n LEU 65 Cb 0.00 -2.78 0.00 0.00 0.53 0.00 0.00 43.42 41.17 2rq8 n LEU 65 CO 0.00 -1.56 0.00 0.61 -1.11 0.00 0.00 177.39 175.33 2rq8 n GLY 66 N -0.63 2.46 0.00 -3.96 0.00 -1.26 -4.86 105.19 96.94 2rq8 n GLY 66 Ca 0.07 -1.38 0.11 0.00 0.00 0.00 0.00 46.02 44.82 2rq8 n GLY 66 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2rq8 n MET 67 N 1.98 0.20 -3.67 1.61 0.00 -1.26 -4.68 117.12 111.30 2rq8 n MET 67 Ca 0.00 0.10 -0.08 0.00 0.00 0.00 0.00 57.70 57.72 2rq8 n MET 67 Cb 0.00 -1.50 -0.09 0.00 0.00 0.00 0.00 33.22 31.63 2rq8 n MET 67 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 2rq8 s THR 68 N -2.72 -0.12 0.18 3.17 -4.23 -1.26 -2.48 115.64 108.17 2rq8 s THR 68 Ca 0.17 0.05 0.09 0.00 -1.18 0.00 0.00 61.69 60.82 2rq8 s THR 68 Cb 0.14 -0.81 -0.04 0.00 1.34 0.00 0.00 72.50 73.13 2rq8 s THR 68 CO 0.35 0.02 -0.18 -0.83 -0.54 0.00 0.00 174.62 173.45 2rq8 s GLY 69 N 1.69 1.42 -0.26 3.99 0.00 -1.11 -4.96 107.32 108.10 2rq8 s GLY 69 Ca -0.09 -1.54 -0.06 0.00 0.00 0.00 0.00 44.72 43.04 2rq8 s GLY 69 CO -0.16 -1.60 0.03 1.85 0.00 0.00 0.00 173.10 173.22 2rq8 s GLU 70 N -2.97 3.29 -0.11 2.90 2.12 -1.26 -0.08 118.70 122.58 2rq8 s GLU 70 Ca 0.18 -0.71 -0.12 0.00 0.36 0.00 0.00 54.97 54.68 2rq8 s GLU 70 Cb -0.05 -3.21 -0.05 0.00 0.26 0.00 0.00 34.13 31.08 2rq8 s GLU 70 CO 0.07 -0.30 0.26 0.54 -0.54 0.00 0.00 175.26 175.29 2rq8 s VAL 71 N 1.50 5.31 -0.15 3.70 0.11 -0.96 -4.79 120.40 125.11 2rq8 s VAL 71 Ca 0.04 0.49 0.00 0.00 -2.93 0.00 0.00 61.98 59.59 2rq8 s VAL 71 Cb -0.16 -3.57 -0.00 0.00 -1.53 0.00 0.00 36.38 31.12 2rq8 s VAL 71 CO 0.00 0.51 -0.15 -0.44 -3.33 0.00 0.00 175.10 171.69 2rq8 s SER 72 N -0.36 3.67 -0.11 3.54 0.01 -1.09 -2.20 113.70 117.16 2rq8 s SER 72 Ca 0.17 -0.46 0.00 0.00 1.31 0.00 0.00 55.95 56.98 2rq8 s SER 72 Cb -0.13 -1.56 0.02 0.00 0.21 0.00 0.00 66.02 64.56 2rq8 s SER 72 CO 0.06 0.10 -0.10 0.12 0.41 0.00 0.00 173.24 173.82 2rq8 s PHE 73 N 0.74 1.60 -0.20 2.43 5.36 0.08 -0.29 117.98 127.70 2rq8 s PHE 73 Ca -0.06 -0.77 -0.02 0.00 -0.96 0.00 0.00 56.93 55.11 2rq8 s PHE 73 Cb -0.15 -1.26 0.00 0.00 -0.34 0.00 0.00 43.02 41.27 2rq8 s PHE 73 CO 0.01 -0.48 -0.10 -0.65 -1.46 0.00 0.00 175.22 172.54 2rq8 s GLN 74 N 1.42 3.26 -0.16 10.12 -0.21 -0.36 -1.33 119.66 132.40 2rq8 s GLN 74 Ca 0.00 -0.69 0.00 0.00 0.02 0.00 0.00 55.36 54.70 2rq8 s GLN 74 Cb -0.13 -2.85 0.00 0.00 1.00 0.00 0.00 33.01 31.02 2rq8 s GLN 74 CO -0.06 -0.18 -0.16 0.00 -2.12 0.00 0.00 175.29 172.77 2rq8 s ALA 75 N 1.36 2.46 0.00 6.09 0.00 -0.78 -0.56 121.76 130.33 2rq8 s ALA 75 Ca 0.05 -1.07 0.00 0.00 0.00 0.00 0.00 51.96 50.93 2rq8 s ALA 75 Cb -0.14 -1.21 0.00 0.00 0.00 0.00 0.00 23.12 21.77 2rq8 s ALA 75 CO -0.06 -0.07 0.00 0.00 0.00 0.00 0.00 175.76 175.63 2rq8 n ALA 76 N 4.14 0.00 -1.83 0.00 0.00 -0.76 -1.03 120.51 121.03 2rq8 n ALA 76 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2rq8 n ALA 76 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 2rq8 n ALA 76 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2rq8 n ASN 77 N 2.65 0.00 -4.57 0.00 0.23 -1.26 -5.09 115.26 107.23 2rq8 n ASN 77 Ca 0.00 -1.44 -0.33 0.00 -0.53 0.00 0.00 54.58 52.28 2rq8 n ASN 77 Cb 0.00 -0.09 -0.11 0.00 -2.08 0.00 0.00 39.78 37.50 2rq8 n ASN 77 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 2rq8 s THR 78 N 0.00 3.54 -0.17 5.53 2.01 -0.19 -5.10 115.64 121.26 2rq8 s THR 78 Ca 0.00 -0.72 -0.05 0.00 0.31 0.00 0.00 61.69 61.23 2rq8 s THR 78 Cb 0.00 -2.50 -0.03 0.00 0.01 0.00 0.00 72.50 69.98 2rq8 s THR 78 CO 0.00 0.47 -0.00 -0.75 -0.69 0.00 0.00 174.62 173.64 2rq8 s LYS 79 N -1.19 3.74 -0.03 4.92 2.47 -1.26 -1.86 119.74 126.53 2rq8 s LYS 79 Ca 0.15 -0.47 0.03 0.00 -1.56 0.00 0.00 55.97 54.11 2rq8 s LYS 79 Cb -0.11 -3.03 0.00 0.00 -1.46 0.00 0.00 37.83 33.23 2rq8 s LYS 79 CO 0.05 0.20 -0.10 -1.12 0.16 0.00 0.00 175.35 174.54 2rq8 s SER 80 N 0.51 1.33 -0.02 1.43 0.01 -0.44 -5.03 113.70 111.50 2rq8 s SER 80 Ca -0.01 -0.21 0.02 0.00 1.31 0.00 0.00 55.95 57.07 2rq8 s SER 80 Cb -0.14 -0.36 0.00 0.00 0.21 0.00 0.00 66.02 65.73 2rq8 s SER 80 CO 0.02 0.07 -0.08 0.00 0.41 0.00 0.00 173.24 173.66 2rq8 s ALA 81 N 0.19 0.76 0.12 1.44 0.00 -1.26 -0.74 121.76 122.28 2rq8 s ALA 81 Ca -0.03 -0.32 0.03 0.00 0.00 0.00 0.00 51.96 51.64 2rq8 s ALA 81 Cb -0.09 -0.26 -0.04 0.00 0.00 0.00 0.00 23.12 22.72 2rq8 s ALA 81 CO 0.01 0.14 -0.09 0.00 0.00 0.00 0.00 175.76 175.82 2rq8 s ALA 82 N 0.08 1.24 0.07 0.00 0.00 -0.94 -4.97 121.76 117.25 2rq8 s ALA 82 Ca -0.01 -1.42 -0.13 0.00 0.00 0.00 0.00 51.96 50.40 2rq8 s ALA 82 Cb -0.07 0.10 -0.06 0.00 0.00 0.00 0.00 23.12 23.09 2rq8 s ALA 82 CO 0.00 -0.16 0.44 -0.80 0.00 0.00 0.00 175.76 175.25 2rq8 s ASN 83 N -3.10 6.75 -0.22 0.00 0.01 -1.26 -2.28 114.94 114.84 2rq8 s ASN 83 Ca 0.14 0.93 -0.05 0.00 -0.71 0.00 0.00 52.86 53.17 2rq8 s ASN 83 Cb 0.04 -2.23 -0.02 0.00 0.41 0.00 0.00 41.25 39.45 2rq8 s ASN 83 CO -0.02 0.20 -0.00 -0.22 -1.51 0.00 0.00 177.10 175.55 2rq8 s LEU 84 N -1.65 3.13 -0.31 0.60 1.98 0.89 -3.04 118.68 120.27 2rq8 s LEU 84 Ca 0.31 -0.29 -0.14 0.00 -2.89 0.00 0.00 54.13 51.12 2rq8 s LEU 84 Cb -0.15 -1.81 -0.03 0.00 0.66 0.00 0.00 46.19 44.87 2rq8 s LEU 84 CO 0.17 0.00 0.30 -0.75 -1.89 0.00 0.00 176.35 174.18 2rq8 s LYS 85 N 1.35 3.72 -0.18 1.98 2.20 -0.65 -2.75 119.74 125.41 2rq8 s LYS 85 Ca 0.04 -0.36 -0.25 0.00 -0.36 0.00 0.00 55.97 55.04 2rq8 s LYS 85 Cb -0.15 -3.75 -0.01 0.00 -1.51 0.00 0.00 37.83 32.42 2rq8 s LYS 85 CO 0.00 -0.38 0.83 0.08 -0.36 0.00 0.00 175.35 175.52 2rq8 s VAL 86 N 1.90 4.87 0.01 4.02 1.01 -1.03 -2.18 120.40 129.00 2rq8 s VAL 86 Ca 0.10 1.63 0.03 0.00 0.00 0.00 0.00 61.98 63.74 2rq8 s VAL 86 Cb -0.16 -4.14 -0.03 0.00 0.00 0.00 0.00 36.38 32.04 2rq8 s VAL 86 CO 0.11 0.01 -0.05 -0.54 0.00 0.00 0.00 175.10 174.63 2rq8 s LYS 87 N 2.26 2.59 0.59 2.72 -0.14 0.86 -4.96 119.74 123.66 2rq8 s LYS 87 Ca 0.38 -0.71 -0.19 0.00 -1.36 0.00 0.00 55.97 54.09 2rq8 s LYS 87 Cb -0.16 -2.53 -0.04 0.00 -1.68 0.00 0.00 37.83 33.42 2rq8 s LYS 87 CO 0.12 0.60 1.20 -2.00 -0.76 0.00 0.00 175.35 174.50 2rq8 s GLU 88 N -1.52 3.00 -0.81 1.68 2.12 -1.26 -1.71 118.70 120.20 2rq8 s GLU 88 Ca 0.18 1.79 -0.24 0.00 0.36 0.00 0.00 54.97 57.06 2rq8 s GLU 88 Cb -0.11 -1.94 0.06 0.00 0.26 0.00 0.00 34.13 32.40 2rq8 s GLU 88 CO 0.09 -1.18 1.22 -0.51 -0.54 0.00 0.00 175.26 174.34 2rq8 s LEU 89 N -4.08 3.80 0.27 2.70 1.43 -1.26 -4.79 118.68 116.75 2rq8 s LEU 89 Ca 0.77 -1.04 -0.03 0.00 -1.03 0.00 0.00 54.13 52.79 2rq8 s LEU 89 Cb -0.29 -2.51 -0.02 0.00 0.03 0.00 0.00 46.19 43.40 2rq8 s LEU 89 CO 0.33 -1.56 0.34 -1.48 0.23 0.00 0.00 176.35 174.21 2rq8 s LEU 90 N 4.73 1.00 0.51 1.79 0.05 -1.26 -5.11 118.68 120.39 2rq8 s LEU 90 Ca 0.34 -1.36 0.05 0.00 0.05 0.00 0.00 54.13 53.21 2rq8 s LEU 90 Cb -0.08 1.06 0.01 0.00 -2.05 0.00 0.00 46.19 45.13 2rq8 s LEU 90 CO 0.04 -1.08 0.29 -1.61 -0.55 0.00 0.00 176.35 173.44 2rq8 s GLU 91 N -3.70 2.25 0.24 1.48 2.02 -1.26 -5.16 118.70 114.56 2rq8 s GLU 91 Ca 0.33 -2.05 0.02 0.00 0.02 0.00 0.00 54.97 53.29 2rq8 s GLU 91 Cb 0.02 -1.98 -0.05 0.00 0.10 0.00 0.00 34.13 32.22 2rq8 s GLU 91 CO 0.16 -0.47 0.04 -1.58 0.02 0.00 0.00 175.26 173.43 2rq8 s HIS 92 N -2.75 1.51 0.51 1.61 2.46 -1.26 -5.17 115.29 112.20 2rq8 s HIS 92 Ca 0.30 -1.04 0.01 0.00 0.47 0.00 0.00 55.06 54.80 2rq8 s HIS 92 Cb -0.01 -0.89 0.01 0.00 -0.13 0.00 0.00 32.58 31.57 2rq8 s HIS 92 CO 0.18 -0.18 0.08 0.72 -2.47 0.00 0.00 174.74 173.08 2rq8 n HIS 93 N -0.42 0.81 -4.19 3.88 8.25 -1.26 -5.17 115.22 117.13 2rq8 n HIS 93 Ca -0.03 -2.45 -0.15 0.00 -0.26 0.00 0.00 57.72 54.83 2rq8 n HIS 93 Cb 0.65 -0.36 -0.08 0.00 1.12 0.00 0.00 29.99 31.33 2rq8 n HIS 93 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2rq8 s HIS 94 N -2.79 1.28 0.49 4.41 3.76 -1.26 -5.18 115.29 116.00 2rq8 s HIS 94 Ca 0.06 -1.40 0.05 0.00 -0.15 0.00 0.00 55.06 53.61 2rq8 s HIS 94 Cb -0.00 -0.44 0.05 0.00 1.11 0.00 0.00 32.58 33.29 2rq8 s HIS 94 CO 0.04 -0.87 0.38 0.72 -0.85 0.00 0.00 174.74 174.16 2rq8 n HIS 95 N -0.48 -0.72 -2.26 1.40 8.25 -1.26 -5.14 115.22 115.01 2rq8 n HIS 95 Ca 0.03 -2.09 -0.27 0.00 -0.26 0.00 0.00 57.72 55.14 2rq8 n HIS 95 Cb 0.63 -0.41 0.15 0.00 1.12 0.00 0.00 29.99 31.49 2rq8 n HIS 95 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2rq8 s HIS 96 N -2.45 1.47 0.00 4.41 -3.43 -1.26 -5.37 115.29 108.66 2rq8 s HIS 96 Ca 0.29 -0.02 0.00 0.00 -0.80 0.00 0.00 55.06 54.53 2rq8 s HIS 96 Cb -0.02 -3.58 0.00 0.00 -1.43 0.00 0.00 32.58 27.54 2rq8 s HIS 96 CO 0.18 -2.25 0.20 -2.39 -2.00 0.00 0.00 174.74 168.48