#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 3.23 -0.21 3.17 1.02 -1.26 -5.09 118.68 119.54 2rq8 s LEU 1 Ca 0.00 0.04 -0.01 0.00 0.02 0.00 0.00 54.13 54.18 2rq8 s LEU 1 Cb 0.00 -2.90 0.01 0.00 0.02 0.00 0.00 46.19 43.32 2rq8 s LEU 1 CO 0.00 -1.18 -0.11 -0.63 0.02 0.00 0.00 176.35 174.45 2rq8 s ILE 2 N -2.81 2.68 -0.06 -0.59 -1.09 -1.26 -5.09 121.20 112.98 2rq8 s ILE 2 Ca 0.57 -0.84 -0.02 0.00 -2.23 0.00 0.00 60.65 58.13 2rq8 s ILE 2 Cb -0.10 -2.24 0.04 0.00 -1.58 0.00 0.00 42.46 38.58 2rq8 s ILE 2 CO 0.39 0.40 0.13 -1.61 -1.23 0.00 0.00 174.94 173.02 2rq8 s GLU 3 N 1.35 0.06 -0.15 2.79 2.02 -1.26 -4.94 118.70 118.57 2rq8 s GLU 3 Ca 0.04 0.36 -0.35 0.00 0.02 0.00 0.00 54.97 55.04 2rq8 s GLU 3 Cb -0.15 -0.21 -0.12 0.00 0.10 0.00 0.00 34.13 33.76 2rq8 s GLU 3 CO -0.08 -0.19 1.93 0.28 0.02 0.00 0.00 175.26 177.23 2rq8 n VAL 4 N 4.37 0.49 0.04 2.63 0.31 -1.26 -4.74 118.33 120.17 2rq8 n VAL 4 Ca -0.24 -0.14 -0.10 0.00 -0.01 0.00 0.00 64.34 63.85 2rq8 n VAL 4 Cb 0.51 -1.83 -0.07 0.00 -0.91 0.00 0.00 33.84 31.54 2rq8 n VAL 4 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2rq8 h GLU 5 N 9.81 -0.20 -2.64 5.55 4.22 -1.57 -3.40 114.58 126.35 2rq8 h GLU 5 Ca -0.45 0.01 -0.61 0.00 0.08 0.00 0.00 59.36 58.39 2rq8 h GLU 5 Cb 1.28 0.04 -0.42 0.00 0.50 0.00 0.00 28.75 30.16 2rq8 h GLU 5 CO 0.96 0.22 -0.60 1.17 -2.18 0.00 0.00 179.01 178.58 2rq8 n LYS 6 N -4.90 2.11 -1.16 1.92 3.00 -1.21 -4.99 118.16 112.93 2rq8 n LYS 6 Ca -0.07 -4.53 -0.29 0.00 -0.00 0.00 0.00 58.31 53.42 2rq8 n LYS 6 Cb 0.25 -2.25 0.19 0.00 0.00 0.00 0.00 35.03 33.22 2rq8 n LYS 6 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2rq8 s PRO 7 N -1.91 0.21 -0.13 1.64 0.04 -1.26 -2.91 135.00 130.69 2rq8 s PRO 7 Ca 0.32 0.45 -0.00 0.00 0.04 0.00 0.00 61.00 61.81 2rq8 s PRO 7 Cb 0.05 -1.72 -0.02 0.00 0.04 0.00 0.00 34.50 32.86 2rq8 s PRO 7 CO -0.10 -2.86 -0.12 -0.48 0.04 0.00 0.00 177.00 173.48 2rq8 s LEU 8 N -6.52 2.77 0.42 -3.56 0.05 -1.26 -4.97 118.68 105.60 2rq8 s LEU 8 Ca 0.66 -0.30 0.20 0.00 0.05 0.00 0.00 54.13 54.75 2rq8 s LEU 8 Cb -0.18 -1.62 0.89 0.00 -2.05 0.00 0.00 46.19 43.23 2rq8 s LEU 8 CO 0.58 0.18 1.84 1.55 -0.55 0.00 0.00 176.35 179.94 2rq8 h PRO 9 N 6.60 0.00 0.00 1.48 0.13 -1.97 -3.45 132.00 134.80 2rq8 h PRO 9 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2rq8 h PRO 9 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2rq8 h PRO 9 CO 0.56 0.30 0.00 0.41 -0.23 0.00 0.00 178.00 179.03 2rq8 n GLY 10 N -0.09 1.90 3.79 1.56 0.00 -1.26 -3.97 105.19 107.12 2rq8 n GLY 10 Ca -0.01 0.20 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 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 4.46 -0.11 1.61 1.01 -1.15 -4.88 120.40 121.34 2rq8 s VAL 11 Ca 0.00 1.58 -0.03 0.00 0.00 0.00 0.00 61.98 63.53 2rq8 s VAL 11 Cb 0.00 -4.08 -0.03 0.00 0.00 0.00 0.00 36.38 32.27 2rq8 s VAL 11 CO 0.00 0.52 -0.00 -1.83 0.00 0.00 0.00 175.10 173.79 2rq8 s GLU 12 N -1.16 3.24 0.27 2.72 1.03 -1.26 -2.85 118.70 120.68 2rq8 s GLU 12 Ca 0.34 -0.43 0.02 0.00 0.03 0.00 0.00 54.97 54.94 2rq8 s GLU 12 Cb -0.22 -2.86 -0.04 0.00 -0.80 0.00 0.00 34.13 30.21 2rq8 s GLU 12 CO 0.24 0.56 0.14 0.14 -1.33 0.00 0.00 175.26 175.01 2rq8 s VAL 13 N -0.47 0.31 1.04 1.83 -7.23 -0.15 -4.95 120.40 110.78 2rq8 s VAL 13 Ca 0.08 -2.00 -0.18 0.00 -1.81 0.00 0.00 61.98 58.08 2rq8 s VAL 13 Cb -0.12 -2.54 0.24 0.00 0.56 0.00 0.00 36.38 34.51 2rq8 s VAL 13 CO 0.02 0.00 1.30 -0.36 -0.31 0.00 0.00 175.10 175.75 2rq8 s PHE 14 N -3.76 1.11 -0.45 2.82 0.08 -1.26 -0.23 117.98 116.29 2rq8 s PHE 14 Ca 0.37 0.27 -0.19 0.00 0.12 0.00 0.00 56.93 57.51 2rq8 s PHE 14 Cb 0.06 -4.08 0.03 0.00 -0.57 0.00 0.00 43.02 38.47 2rq8 s PHE 14 CO 0.16 -3.07 0.56 0.08 -0.10 0.00 0.00 175.22 172.85 2rq8 s VAL 15 N -3.75 4.93 -0.65 -0.44 1.01 -0.07 -4.31 120.40 117.13 2rq8 s VAL 15 Ca 0.75 -0.25 -0.01 0.00 0.00 0.00 0.00 61.98 62.47 2rq8 s VAL 15 Cb -0.04 -4.18 0.00 0.00 0.00 0.00 0.00 36.38 32.17 2rq8 s VAL 15 CO 0.54 -0.60 0.55 0.61 0.00 0.00 0.00 175.10 176.19 2rq8 n GLY 16 N 5.11 0.04 0.00 4.51 0.00 -0.89 -4.87 105.19 109.10 2rq8 n GLY 16 Ca -0.05 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.69 0.00 -4.29 1.61 -0.58 -1.26 -4.52 120.64 108.91 2rq8 n GLU 17 Ca -0.13 0.00 -0.20 0.00 -0.42 0.00 0.00 57.16 56.42 2rq8 n GLU 17 Cb 0.58 0.00 -0.13 0.00 -0.57 0.00 0.00 31.44 31.32 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 1.54 1.14 -0.25 2.62 2.01 -1.26 -2.63 115.64 118.81 2rq8 s THR 18 Ca 0.00 -1.14 0.00 0.00 0.31 0.00 0.00 61.69 60.86 2rq8 s THR 18 Cb 0.00 -1.06 0.07 0.00 0.01 0.00 0.00 72.50 71.52 2rq8 s THR 18 CO 0.00 -0.08 0.00 0.00 -0.69 0.00 0.00 174.62 173.85 2rq8 s ALA 19 N -1.02 1.78 -0.23 7.40 0.00 -0.35 -4.37 121.76 124.97 2rq8 s ALA 19 Ca 0.00 -1.39 -0.11 0.00 0.00 0.00 0.00 51.96 50.46 2rq8 s ALA 19 Cb -0.09 -1.47 -0.05 0.00 0.00 0.00 0.00 23.12 21.52 2rq8 s ALA 19 CO 0.02 -1.32 0.20 -1.01 0.00 0.00 0.00 175.76 173.65 2rq8 s HIS 20 N 1.48 3.33 -0.08 0.00 3.76 -1.26 -1.78 115.29 120.75 2rq8 s HIS 20 Ca -0.01 0.30 -0.00 0.00 -0.15 0.00 0.00 55.06 55.20 2rq8 s HIS 20 Cb -0.18 -2.30 0.02 0.00 1.11 0.00 0.00 32.58 31.23 2rq8 s HIS 20 CO -0.10 0.07 -0.04 -0.06 -0.85 0.00 0.00 174.74 173.76 2rq8 s PHE 21 N 1.04 0.97 -0.03 1.40 0.08 -1.11 -4.97 117.98 115.36 2rq8 s PHE 21 Ca 0.10 -0.37 0.01 0.00 0.12 0.00 0.00 56.93 56.79 2rq8 s PHE 21 Cb -0.13 -0.92 0.01 0.00 -0.57 0.00 0.00 43.02 41.41 2rq8 s PHE 21 CO 0.05 -0.36 -0.05 -1.83 -0.10 0.00 0.00 175.22 172.92 2rq8 s GLU 22 N 1.63 0.79 0.21 0.44 -1.05 -1.26 -2.04 118.70 117.41 2rq8 s GLU 22 Ca 0.01 -0.16 -0.06 0.00 -0.15 0.00 0.00 54.97 54.62 2rq8 s GLU 22 Cb -0.13 -0.78 -0.03 0.00 -0.44 0.00 0.00 34.13 32.76 2rq8 s GLU 22 CO -0.05 -0.01 0.26 0.96 0.95 0.00 0.00 175.26 177.37 2rq8 s ILE 23 N 0.61 0.01 0.04 1.83 -0.00 -1.23 -4.79 121.20 117.66 2rq8 s ILE 23 Ca -0.08 -1.74 0.08 0.00 -0.00 0.00 0.00 60.65 58.91 2rq8 s ILE 23 Cb -0.12 -2.33 -0.03 0.00 -0.00 0.00 0.00 42.46 39.99 2rq8 s ILE 23 CO 0.00 -0.04 -0.23 -1.61 -0.00 0.00 0.00 174.94 173.06 2rq8 s GLU 24 N -4.09 1.92 -0.00 0.37 2.02 -1.15 -2.86 118.70 114.92 2rq8 s GLU 24 Ca 0.31 -1.05 0.02 0.00 0.02 0.00 0.00 54.97 54.27 2rq8 s GLU 24 Cb 0.04 -2.07 -0.03 0.00 0.10 0.00 0.00 34.13 32.17 2rq8 s GLU 24 CO 0.10 0.53 0.05 1.28 0.02 0.00 0.00 175.26 177.24 2rq8 n LEU 25 N 1.69 0.03 -0.63 1.80 4.77 -1.25 -1.87 117.00 121.54 2rq8 n LEU 25 Ca -0.17 -0.17 -0.08 0.00 -0.03 0.00 0.00 56.01 55.56 2rq8 n LEU 25 Cb 0.52 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.57 2rq8 n LEU 25 CO 0.24 0.01 -0.08 -1.54 -1.33 0.00 0.00 177.39 174.69 2rq8 n SER 26 N -1.39 -5.07 -2.92 -1.43 3.41 -1.26 -4.39 113.62 100.58 2rq8 n SER 26 Ca -0.00 0.20 -0.05 0.00 -0.26 0.00 0.00 58.87 58.77 2rq8 n SER 26 Cb 0.04 -3.29 -0.00 0.00 -0.26 0.00 0.00 64.21 60.70 2rq8 n SER 26 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 2rq8 s GLU 27 N -2.46 0.99 0.00 4.33 -1.05 -1.26 -4.99 118.70 114.26 2rq8 s GLU 27 Ca 0.00 -0.93 0.14 0.00 -0.15 0.00 0.00 54.97 54.03 2rq8 s GLU 27 Cb 0.00 -0.12 0.66 0.00 -0.44 0.00 0.00 34.13 34.24 2rq8 s GLU 27 CO 0.00 -1.30 1.43 -0.35 0.95 0.00 0.00 175.26 175.99 2rq8 n PRO 28 N 3.32 0.09 0.28 -4.83 -0.04 -1.26 -3.04 135.00 129.53 2rq8 n PRO 28 Ca 0.17 0.21 0.18 0.00 -0.04 0.00 0.00 63.50 64.02 2rq8 n PRO 28 Cb 0.55 -1.50 0.95 0.00 -0.04 0.00 0.00 33.50 33.47 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 -5.39 3.54 3.58 -1.94 -3.42 116.42 112.79 2rq8 h ASP 29 Ca 0.00 0.00 -0.42 0.00 0.42 0.00 0.00 57.03 57.03 2rq8 h ASP 29 Cb 0.20 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.22 2rq8 h ASP 29 CO 0.00 0.00 -0.17 1.33 -2.88 0.00 0.00 179.24 177.52 2rq8 n VAL 30 N -3.42 0.00 -4.79 2.25 0.24 -1.17 -5.14 118.33 106.29 2rq8 n VAL 30 Ca -0.01 -1.60 -0.25 0.00 -2.04 0.00 0.00 64.34 60.44 2rq8 n VAL 30 Cb 0.24 -0.24 -0.16 0.00 -1.47 0.00 0.00 33.84 32.21 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 -1.97 1.58 0.36 6.34 3.76 -1.26 -5.04 115.29 119.05 2rq8 s HIS 31 Ca 0.28 -0.39 0.06 0.00 -0.15 0.00 0.00 55.06 54.86 2rq8 s HIS 31 Cb -0.02 -1.05 -0.01 0.00 1.11 0.00 0.00 32.58 32.61 2rq8 s HIS 31 CO 0.18 -0.11 0.50 0.20 -0.85 0.00 0.00 174.74 174.66 2rq8 s GLY 32 N -0.12 1.65 -0.06 -2.22 0.00 -1.26 -3.64 107.32 101.68 2rq8 s GLY 32 Ca 0.00 -1.47 -0.07 0.00 0.00 0.00 0.00 44.72 43.19 2rq8 s GLY 32 CO 0.01 -1.36 0.18 1.62 0.00 0.00 0.00 173.10 173.55 2rq8 s GLN 33 N -4.23 0.26 -0.24 2.90 0.74 0.65 -5.00 119.66 114.75 2rq8 s GLN 33 Ca 0.47 0.16 -0.07 0.00 0.05 0.00 0.00 55.36 55.97 2rq8 s GLN 33 Cb -0.10 0.12 -0.03 0.00 1.10 0.00 0.00 33.01 34.11 2rq8 s GLN 33 CO 0.32 -0.04 0.05 -1.58 -0.55 0.00 0.00 175.29 173.49 2rq8 s TRP 34 N -0.13 3.08 -0.09 1.67 0.52 -1.26 -0.08 118.94 122.65 2rq8 s TRP 34 Ca -0.02 -0.44 -0.02 0.00 0.02 0.00 0.00 56.10 55.64 2rq8 s TRP 34 Cb -0.02 -2.20 -0.03 0.00 -1.15 0.00 0.00 33.47 30.06 2rq8 s TRP 34 CO 0.01 -0.33 -0.01 0.21 0.02 0.00 0.00 176.95 176.84 2rq8 s LYS 35 N 1.46 2.99 0.00 4.98 2.20 0.81 -3.78 119.74 128.41 2rq8 s LYS 35 Ca 0.06 -0.43 0.01 0.00 -0.36 0.00 0.00 55.97 55.25 2rq8 s LYS 35 Cb -0.15 -2.77 -0.00 0.00 -1.51 0.00 0.00 37.83 33.39 2rq8 s LYS 35 CO 0.03 0.67 -0.04 -0.51 -0.36 0.00 0.00 175.35 175.14 2rq8 s LEU 36 N -0.80 2.03 0.58 5.43 2.01 -1.26 -2.56 118.68 124.10 2rq8 s LEU 36 Ca 0.12 -0.11 0.31 0.00 0.01 0.00 0.00 54.13 54.47 2rq8 s LEU 36 Cb -0.11 -0.19 1.77 0.00 0.01 0.00 0.00 46.19 47.67 2rq8 s LEU 36 CO 0.02 0.03 2.20 0.50 1.01 0.00 0.00 176.35 180.11 2rq8 h LYS 37 N 5.93 0.00 0.18 1.70 3.64 -1.98 -3.04 116.57 123.01 2rq8 h LYS 37 Ca -0.27 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.10 2rq8 h LYS 37 Cb 1.20 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 2rq8 h LYS 37 CO 0.50 0.04 -0.09 0.78 -2.27 0.00 0.00 179.45 178.41 2rq8 h GLY 38 N 0.34 -0.26 -1.99 5.01 0.00 -1.97 -3.46 103.07 100.75 2rq8 h GLY 38 Ca -0.00 0.09 -0.50 0.00 0.00 0.00 0.00 47.33 46.93 2rq8 h GLY 38 CO 0.01 -0.09 0.18 1.20 0.00 0.00 0.00 176.54 177.84 2rq8 s GLN 39 N -2.93 3.62 0.01 4.80 -0.21 -1.15 -5.02 119.66 118.78 2rq8 s GLN 39 Ca -0.09 0.40 -0.23 0.00 0.02 0.00 0.00 55.36 55.45 2rq8 s GLN 39 Cb 0.00 -2.31 -0.18 0.00 1.00 0.00 0.00 33.01 31.52 2rq8 s GLN 39 CO 0.34 -0.24 1.30 -1.00 -2.12 0.00 0.00 175.29 173.57 2rq8 h PRO 40 N 0.39 0.16 0.00 2.91 0.13 -1.89 -3.40 132.00 130.29 2rq8 h PRO 40 Ca -0.46 -0.08 -0.27 0.00 -0.87 0.00 0.00 66.00 64.31 2rq8 h PRO 40 Cb 1.20 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.26 2rq8 h PRO 40 CO 0.62 0.60 -0.25 1.47 -0.23 0.00 0.00 178.00 180.21 2rq8 n LEU 41 N -4.72 0.00 -4.90 1.56 -0.00 -1.26 -4.91 117.00 102.76 2rq8 n LEU 41 Ca -0.07 -1.98 -0.28 0.00 -0.00 0.00 0.00 56.01 53.67 2rq8 n LEU 41 Cb 0.30 1.22 0.02 0.00 -0.00 0.00 0.00 43.42 44.96 2rq8 n LEU 41 CO 0.36 -0.36 0.57 0.00 -0.00 0.00 0.00 177.39 177.96 2rq8 s ALA 42 N -2.74 3.23 -0.84 1.47 0.00 -1.25 -4.24 121.76 117.40 2rq8 s ALA 42 Ca 0.24 -0.53 -0.02 0.00 0.00 0.00 0.00 51.96 51.65 2rq8 s ALA 42 Cb 0.01 -2.72 0.00 0.00 0.00 0.00 0.00 23.12 20.41 2rq8 s ALA 42 CO 0.17 -0.75 0.21 0.00 0.00 0.00 0.00 175.76 175.39 2rq8 n ALA 43 N -2.60 -0.44 -0.78 0.00 0.00 -1.26 -5.00 120.51 110.44 2rq8 n ALA 43 Ca 0.04 0.13 -0.30 0.00 0.00 0.00 0.00 53.44 53.31 2rq8 n ALA 43 Cb 0.57 -1.96 0.17 0.00 0.00 0.00 0.00 19.45 18.23 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 -2.74 2.73 0.00 0.00 1.04 -1.26 -4.88 113.70 108.58 2rq8 s SER 44 Ca 0.10 1.94 0.15 0.00 0.48 0.00 0.00 55.95 58.62 2rq8 s SER 44 Cb -0.05 -2.47 0.70 0.00 0.10 0.00 0.00 66.02 64.30 2rq8 s SER 44 CO 0.13 -3.18 1.43 -0.81 0.98 0.00 0.00 173.24 171.78 2rq8 n PRO 45 N -4.27 0.14 -0.01 4.02 -0.04 -1.26 -2.21 135.00 131.37 2rq8 n PRO 45 Ca 0.09 0.18 0.08 0.00 -0.04 0.00 0.00 63.50 63.82 2rq8 n PRO 45 Cb 0.53 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.36 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 1.10 -4.80 3.54 9.92 -1.26 -5.00 116.55 118.68 2rq8 n ASP 46 Ca 0.06 0.00 -0.22 0.00 -0.53 0.00 0.00 54.79 54.09 2rq8 n ASP 46 Cb 0.14 1.76 -0.05 0.00 -0.64 0.00 0.00 41.12 42.33 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 -3.97 0.56 -0.48 0.00 2.02 -1.06 -4.48 118.70 111.30 2rq8 s GLU 48 Ca 0.42 -0.45 -0.18 0.00 0.02 0.00 0.00 54.97 54.78 2rq8 s GLU 48 Cb -0.02 -2.02 0.05 0.00 0.10 0.00 0.00 34.13 32.24 2rq8 s GLU 48 CO 0.25 -0.70 0.55 0.42 0.02 0.00 0.00 175.26 175.81 2rq8 s ILE 49 N 1.88 4.97 -0.25 -1.63 1.01 -1.26 -2.50 121.20 123.42 2rq8 s ILE 49 Ca 0.01 -0.51 -0.03 0.00 0.00 0.00 0.00 60.65 60.12 2rq8 s ILE 49 Cb -0.17 -4.21 0.02 0.00 0.01 0.00 0.00 42.46 38.11 2rq8 s ILE 49 CO -0.11 -0.68 -0.04 -0.63 0.00 0.00 0.00 174.94 173.48 2rq8 s ILE 50 N 2.39 3.10 -0.65 2.92 -1.09 -0.65 -5.03 121.20 122.20 2rq8 s ILE 50 Ca 0.13 -0.89 -0.23 0.00 -2.23 0.00 0.00 60.65 57.43 2rq8 s ILE 50 Cb -0.19 -2.55 0.07 0.00 -1.58 0.00 0.00 42.46 38.20 2rq8 s ILE 50 CO 0.12 0.22 0.96 -1.83 -1.23 0.00 0.00 174.94 173.18 2rq8 s GLU 51 N 1.37 3.13 -0.62 2.79 1.03 -1.26 -1.69 118.70 123.46 2rq8 s GLU 51 Ca 0.01 -0.77 -0.19 0.00 0.03 0.00 0.00 54.97 54.06 2rq8 s GLU 51 Cb -0.16 -4.21 0.11 0.00 -0.80 0.00 0.00 34.13 29.07 2rq8 s GLU 51 CO -0.03 -1.78 0.73 0.34 -1.33 0.00 0.00 175.26 173.18 2rq8 s ASP 52 N 3.58 6.22 1.25 0.83 -1.08 0.27 -4.94 116.67 122.81 2rq8 s ASP 52 Ca 0.23 -1.51 0.00 0.00 -0.52 0.00 0.00 52.55 50.75 2rq8 s ASP 52 Cb -0.16 -2.30 0.00 0.00 -1.46 0.00 0.00 42.92 38.99 2rq8 s ASP 52 CO 0.11 -1.10 0.00 0.61 0.52 0.00 0.00 175.17 175.31 2rq8 n GLY 53 N 5.24 1.45 0.09 2.66 0.00 -1.26 -0.55 105.19 112.81 2rq8 n GLY 53 Ca -0.07 0.49 -0.09 0.00 0.00 0.00 0.00 46.02 46.35 2rq8 n GLY 53 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2rq8 n LYS 54 N 0.00 0.65 -3.21 1.61 4.81 -1.26 -4.63 118.16 116.13 2rq8 n LYS 54 Ca 0.00 0.21 -0.34 0.00 -0.87 0.00 0.00 58.31 57.32 2rq8 n LYS 54 Cb 0.00 -1.72 -0.06 0.00 0.02 0.00 0.00 35.03 33.27 2rq8 n LYS 54 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 2rq8 s LYS 55 N -2.57 4.02 -0.13 1.64 -2.85 0.28 -3.81 119.74 116.33 2rq8 s LYS 55 Ca -0.06 0.62 0.01 0.00 -1.00 0.00 0.00 55.97 55.54 2rq8 s LYS 55 Cb 0.07 -2.64 0.02 0.00 -2.06 0.00 0.00 37.83 33.22 2rq8 s LYS 55 CO 0.83 0.28 -0.14 -1.01 0.10 0.00 0.00 175.35 175.41 2rq8 s HIS 56 N -1.78 2.04 -0.14 1.78 3.76 -1.14 -0.56 115.29 119.25 2rq8 s HIS 56 Ca 0.48 -1.05 -0.05 0.00 -0.15 0.00 0.00 55.06 54.29 2rq8 s HIS 56 Cb -0.12 -1.49 -0.04 0.00 1.11 0.00 0.00 32.58 32.03 2rq8 s HIS 56 CO 0.19 -0.57 0.04 -1.50 -0.85 0.00 0.00 174.74 172.06 2rq8 s ILE 57 N 1.25 4.65 -0.09 0.60 1.10 -0.68 -3.56 121.20 124.47 2rq8 s ILE 57 Ca -0.01 -0.10 0.01 0.00 -0.51 0.00 0.00 60.65 60.04 2rq8 s ILE 57 Cb -0.14 -3.03 0.02 0.00 0.15 0.00 0.00 42.46 39.46 2rq8 s ILE 57 CO -0.06 0.53 -0.09 -0.22 -2.11 0.00 0.00 174.94 172.99 2rq8 s LEU 58 N -0.24 1.35 -0.46 8.50 1.98 -0.87 -1.63 118.68 127.31 2rq8 s LEU 58 Ca 0.07 -0.29 -0.12 0.00 -2.89 0.00 0.00 54.13 50.90 2rq8 s LEU 58 Cb -0.12 -0.82 0.09 0.00 0.66 0.00 0.00 46.19 46.00 2rq8 s LEU 58 CO 0.02 -0.06 0.34 -0.63 -1.89 0.00 0.00 176.35 174.13 2rq8 s ILE 59 N 1.32 4.61 -0.36 6.68 -1.09 -1.04 -2.74 121.20 128.58 2rq8 s ILE 59 Ca -0.02 -1.41 -0.07 0.00 -2.23 0.00 0.00 60.65 56.92 2rq8 s ILE 59 Cb -0.14 -3.86 0.05 0.00 -1.58 0.00 0.00 42.46 36.93 2rq8 s ILE 59 CO -0.04 -0.63 0.14 -0.22 -1.23 0.00 0.00 174.94 172.96 2rq8 s LEU 60 N 1.49 4.53 0.55 2.97 2.96 -0.73 -2.55 118.68 127.90 2rq8 s LEU 60 Ca 0.04 -1.23 -0.05 0.00 -0.22 0.00 0.00 54.13 52.67 2rq8 s LEU 60 Cb -0.25 -1.90 -0.00 0.00 0.50 0.00 0.00 46.19 44.54 2rq8 s LEU 60 CO 0.03 -0.38 0.84 -1.00 -1.32 0.00 0.00 176.35 174.52 2rq8 s HIS 61 N 1.40 3.31 -0.64 5.38 3.76 -1.26 -1.21 115.29 126.03 2rq8 s HIS 61 Ca -0.00 0.61 -0.03 0.00 -0.15 0.00 0.00 55.06 55.48 2rq8 s HIS 61 Cb -0.20 -2.59 0.00 0.00 1.11 0.00 0.00 32.58 30.91 2rq8 s HIS 61 CO 0.03 -0.65 0.64 0.09 -0.85 0.00 0.00 174.74 174.00 2rq8 n ASN 62 N -2.44 -7.51 -4.01 1.40 3.02 -1.08 -4.92 115.26 99.72 2rq8 n ASN 62 Ca 0.03 0.05 -0.32 0.00 -0.03 0.00 0.00 54.58 54.31 2rq8 n ASN 62 Cb 0.57 -5.09 -0.10 0.00 -0.61 0.00 0.00 39.78 34.55 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 2.32 2.39 -1.10 0.00 10.64 -1.26 -2.09 117.38 128.28 2rq8 n GLN 64 Ca 0.18 -4.53 -0.24 0.00 -1.83 0.00 0.00 57.00 50.59 2rq8 n GLN 64 Cb 0.36 -2.14 0.13 0.00 -0.86 0.00 0.00 30.24 27.72 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 0.80 6.59 0.00 2.61 7.94 -1.26 -4.99 117.00 128.69 2rq8 n LEU 65 Ca 0.29 -3.54 0.00 0.00 -1.11 0.00 0.00 56.01 51.65 2rq8 n LEU 65 Cb 0.42 -0.86 0.00 0.00 0.53 0.00 0.00 43.42 43.51 2rq8 n LEU 65 CO 0.38 1.11 0.00 0.61 -1.11 0.00 0.00 177.39 178.38 2rq8 n GLY 66 N -0.80 1.02 0.01 -3.96 0.00 -1.26 -4.15 105.19 96.05 2rq8 n GLY 66 Ca 0.52 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 0.11 1.55 -3.77 1.61 0.00 -1.26 -4.85 117.12 110.51 2rq8 n MET 67 Ca 0.00 -0.02 -0.12 0.00 0.00 0.00 0.00 57.70 57.56 2rq8 n MET 67 Cb 0.00 -1.10 -0.08 0.00 0.00 0.00 0.00 33.22 32.04 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 -2.20 0.07 0.10 3.17 -4.23 -1.26 -1.07 115.64 110.23 2rq8 s THR 68 Ca -0.02 -0.60 0.00 0.00 -1.18 0.00 0.00 61.69 59.90 2rq8 s THR 68 Cb 0.02 -0.76 -0.04 0.00 1.34 0.00 0.00 72.50 73.06 2rq8 s THR 68 CO 0.16 -0.33 -0.02 -0.83 -0.54 0.00 0.00 174.62 173.07 2rq8 s GLY 69 N -1.68 0.80 -0.31 3.99 0.00 0.14 -4.81 107.32 105.45 2rq8 s GLY 69 Ca -0.10 -1.37 -0.06 0.00 0.00 0.00 0.00 44.72 43.20 2rq8 s GLY 69 CO 0.01 -1.41 0.07 1.85 0.00 0.00 0.00 173.10 173.62 2rq8 s GLU 70 N -3.92 2.75 -0.17 2.90 2.12 -1.26 -0.10 118.70 121.02 2rq8 s GLU 70 Ca 0.15 -1.08 -0.13 0.00 0.36 0.00 0.00 54.97 54.27 2rq8 s GLU 70 Cb 0.07 -3.36 -0.05 0.00 0.26 0.00 0.00 34.13 31.05 2rq8 s GLU 70 CO -0.04 -0.57 0.25 0.54 -0.54 0.00 0.00 175.26 174.90 2rq8 s VAL 71 N 1.41 5.33 -0.09 3.70 0.11 -1.01 -4.71 120.40 125.14 2rq8 s VAL 71 Ca -0.01 0.45 0.01 0.00 -2.93 0.00 0.00 61.98 59.51 2rq8 s VAL 71 Cb -0.19 -3.59 -0.02 0.00 -1.53 0.00 0.00 36.38 31.05 2rq8 s VAL 71 CO 0.02 0.40 -0.13 -0.94 -3.33 0.00 0.00 175.10 171.12 2rq8 s SER 72 N 0.44 4.12 -0.05 3.54 1.04 -1.06 -1.70 113.70 120.03 2rq8 s SER 72 Ca 0.14 -0.23 -0.01 0.00 0.48 0.00 0.00 55.95 56.34 2rq8 s SER 72 Cb -0.12 -1.24 0.03 0.00 0.10 0.00 0.00 66.02 64.78 2rq8 s SER 72 CO 0.02 0.27 0.00 0.12 0.98 0.00 0.00 173.24 174.63 2rq8 s PHE 73 N -0.24 0.48 -0.25 5.02 5.36 0.82 -0.13 117.98 129.03 2rq8 s PHE 73 Ca 0.02 -0.06 -0.08 0.00 -0.96 0.00 0.00 56.93 55.84 2rq8 s PHE 73 Cb -0.13 -0.61 -0.03 0.00 -0.34 0.00 0.00 43.02 41.91 2rq8 s PHE 73 CO 0.03 -0.22 0.10 -1.14 -1.46 0.00 0.00 175.22 172.52 2rq8 s GLN 74 N 1.53 3.75 -0.48 10.12 0.74 0.88 -1.92 119.66 134.28 2rq8 s GLN 74 Ca -0.02 -0.43 0.01 0.00 0.05 0.00 0.00 55.36 54.97 2rq8 s GLN 74 Cb -0.13 -3.40 0.13 0.00 1.10 0.00 0.00 33.01 30.71 2rq8 s GLN 74 CO -0.03 -0.15 0.24 0.00 -0.55 0.00 0.00 175.29 174.80 2rq8 s ALA 75 N 1.56 3.25 -0.60 1.58 0.00 -1.14 -0.25 121.76 126.16 2rq8 s ALA 75 Ca 0.06 -2.97 -0.08 0.00 0.00 0.00 0.00 51.96 48.97 2rq8 s ALA 75 Cb -0.15 -2.28 0.01 0.00 0.00 0.00 0.00 23.12 20.70 2rq8 s ALA 75 CO 0.05 -1.92 0.65 0.00 0.00 0.00 0.00 175.76 174.54 2rq8 n ALA 76 N 3.73 -2.72 -4.10 0.00 0.00 -1.24 -3.10 120.51 113.09 2rq8 n ALA 76 Ca 0.04 0.49 -0.34 0.00 0.00 0.00 0.00 53.44 53.64 2rq8 n ALA 76 Cb 0.37 -2.45 -0.00 0.00 0.00 0.00 0.00 19.45 17.37 2rq8 n ALA 76 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2rq8 n ASN 77 N -1.14 -4.02 -4.24 0.00 4.13 -1.26 -4.86 115.26 103.88 2rq8 n ASN 77 Ca 0.03 -0.91 -0.26 0.00 1.68 0.00 0.00 54.58 55.12 2rq8 n ASN 77 Cb 0.50 -3.25 -0.15 0.00 -1.54 0.00 0.00 39.78 35.35 2rq8 n ASN 77 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 2rq8 s THR 78 N -3.28 1.65 -0.31 3.41 2.01 -1.18 -5.06 115.64 112.88 2rq8 s THR 78 Ca 0.72 -1.06 -0.15 0.00 0.31 0.00 0.00 61.69 61.51 2rq8 s THR 78 Cb -0.38 -1.40 -0.02 0.00 0.01 0.00 0.00 72.50 70.70 2rq8 s THR 78 CO 0.89 0.31 0.36 -0.54 -0.69 0.00 0.00 174.62 174.95 2rq8 s LYS 79 N -0.88 3.77 -0.16 4.92 3.01 -1.26 -2.88 119.74 126.26 2rq8 s LYS 79 Ca 0.08 -0.22 -0.02 0.00 -1.01 0.00 0.00 55.97 54.80 2rq8 s LYS 79 Cb -0.08 -3.73 0.05 0.00 -1.01 0.00 0.00 37.83 33.05 2rq8 s LYS 79 CO 0.01 -0.41 0.00 -1.12 0.51 0.00 0.00 175.35 174.34 2rq8 s SER 80 N 1.70 2.63 -0.03 2.83 0.01 -0.81 -5.02 113.70 115.02 2rq8 s SER 80 Ca 0.13 -0.63 0.08 0.00 1.31 0.00 0.00 55.95 56.84 2rq8 s SER 80 Cb -0.16 -0.67 -0.02 0.00 0.21 0.00 0.00 66.02 65.38 2rq8 s SER 80 CO 0.11 -0.25 -0.26 0.00 0.41 0.00 0.00 173.24 173.26 2rq8 s ALA 81 N 1.80 2.16 0.09 1.44 0.00 -1.26 -0.13 121.76 125.87 2rq8 s ALA 81 Ca 0.01 -1.11 0.02 0.00 0.00 0.00 0.00 51.96 50.88 2rq8 s ALA 81 Cb -0.16 -0.57 -0.04 0.00 0.00 0.00 0.00 23.12 22.35 2rq8 s ALA 81 CO -0.07 0.51 -0.07 0.00 0.00 0.00 0.00 175.76 176.13 2rq8 s ALA 82 N -0.55 0.95 0.13 0.00 0.00 -0.69 -5.04 121.76 116.57 2rq8 s ALA 82 Ca 0.08 -1.27 -0.17 0.00 0.00 0.00 0.00 51.96 50.60 2rq8 s ALA 82 Cb -0.11 0.13 -0.07 0.00 0.00 0.00 0.00 23.12 23.08 2rq8 s ALA 82 CO -0.00 -0.19 0.58 -0.80 0.00 0.00 0.00 175.76 175.35 2rq8 s ASN 83 N -2.83 6.95 -0.08 0.00 -0.87 -1.25 -2.40 114.94 114.45 2rq8 s ASN 83 Ca 0.09 1.20 0.05 0.00 -1.57 0.00 0.00 52.86 52.62 2rq8 s ASN 83 Cb 0.03 -2.33 -0.00 0.00 -0.02 0.00 0.00 41.25 38.92 2rq8 s ASN 83 CO -0.04 0.16 -0.24 -0.22 -2.57 0.00 0.00 177.10 174.19 2rq8 s LEU 84 N -1.63 2.07 -0.33 0.60 0.20 0.86 -2.92 118.68 117.53 2rq8 s LEU 84 Ca 0.35 -0.53 -0.02 0.00 0.69 0.00 0.00 54.13 54.62 2rq8 s LEU 84 Cb -0.17 -1.37 0.07 0.00 -0.43 0.00 0.00 46.19 44.28 2rq8 s LEU 84 CO 0.19 0.19 0.07 -0.75 -0.29 0.00 0.00 176.35 175.76 2rq8 s LYS 85 N 0.15 2.28 -0.31 1.98 2.36 -1.13 -0.68 119.74 124.39 2rq8 s LYS 85 Ca -0.13 -1.44 -0.19 0.00 -2.55 0.00 0.00 55.97 51.66 2rq8 s LYS 85 Cb -0.16 -3.31 -0.01 0.00 -1.05 0.00 0.00 37.83 33.29 2rq8 s LYS 85 CO 0.07 -0.76 0.59 0.08 1.55 0.00 0.00 175.35 176.87 2rq8 s VAL 86 N 1.22 4.97 -0.04 4.02 1.01 -0.23 -0.97 120.40 130.38 2rq8 s VAL 86 Ca -0.01 0.75 -0.00 0.00 0.00 0.00 0.00 61.98 62.72 2rq8 s VAL 86 Cb -0.21 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.17 2rq8 s VAL 86 CO -0.02 -0.13 0.02 -0.54 0.00 0.00 0.00 175.10 174.44 2rq8 s LYS 87 N 2.53 2.93 0.70 2.72 -0.14 0.68 -4.59 119.74 124.57 2rq8 s LYS 87 Ca 0.23 -0.49 -0.12 0.00 -1.36 0.00 0.00 55.97 54.23 2rq8 s LYS 87 Cb -0.15 -2.77 0.01 0.00 -1.68 0.00 0.00 37.83 33.24 2rq8 s LYS 87 CO 0.12 0.66 1.07 -1.21 -0.76 0.00 0.00 175.35 175.23 2rq8 s GLU 88 N -1.32 2.79 -0.41 1.68 8.01 -1.26 -0.89 118.70 127.30 2rq8 s GLU 88 Ca 0.18 1.08 -0.23 0.00 0.01 0.00 0.00 54.97 56.01 2rq8 s GLU 88 Cb -0.12 -1.97 0.02 0.00 -4.31 0.00 0.00 34.13 27.76 2rq8 s GLU 88 CO 0.08 -1.22 0.78 -0.51 0.01 0.00 0.00 175.26 174.40 2rq8 s LEU 89 N -5.45 4.20 0.07 1.80 1.02 -1.26 -4.83 118.68 114.23 2rq8 s LEU 89 Ca 0.60 0.09 0.10 0.00 0.02 0.00 0.00 54.13 54.94 2rq8 s LEU 89 Cb -0.16 -2.99 -0.03 0.00 0.02 0.00 0.00 46.19 43.04 2rq8 s LEU 89 CO 0.52 -0.84 -0.26 -0.76 0.02 0.00 0.00 176.35 175.03 2rq8 s LEU 90 N 3.21 2.21 -0.22 1.79 2.01 -1.26 -5.07 118.68 121.35 2rq8 s LEU 90 Ca 0.30 -0.64 -0.36 0.00 0.01 0.00 0.00 54.13 53.44 2rq8 s LEU 90 Cb -0.13 -1.25 -0.13 0.00 0.01 0.00 0.00 46.19 44.70 2rq8 s LEU 90 CO 0.20 0.23 1.93 -1.84 1.01 0.00 0.00 176.35 177.89 2rq8 n GLU 91 N 1.51 1.56 -3.86 1.70 0.28 -1.26 -4.92 120.64 115.65 2rq8 n GLU 91 Ca -0.17 0.54 -0.30 0.00 -0.16 0.00 0.00 57.16 57.07 2rq8 n GLU 91 Cb 0.52 -2.44 -0.14 0.00 1.43 0.00 0.00 31.44 30.81 2rq8 n GLU 91 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 2rq8 s HIS 92 N 4.91 2.70 -0.28 -1.84 2.46 -1.26 -5.07 115.29 116.92 2rq8 s HIS 92 Ca 0.99 -2.70 -0.23 0.00 0.47 0.00 0.00 55.06 53.59 2rq8 s HIS 92 Cb -0.85 -2.39 0.11 0.00 -0.13 0.00 0.00 32.58 29.33 2rq8 s HIS 92 CO 0.55 -0.82 0.93 -3.38 -2.47 0.00 0.00 174.74 169.56 2rq8 s HIS 93 N 0.42 -0.60 0.18 3.88 -3.43 -1.26 -5.18 115.29 109.29 2rq8 s HIS 93 Ca 0.15 1.40 -0.14 0.00 -0.80 0.00 0.00 55.06 55.68 2rq8 s HIS 93 Cb -0.23 0.36 0.01 0.00 -1.43 0.00 0.00 32.58 31.29 2rq8 s HIS 93 CO -0.05 -0.29 0.41 -1.58 -2.00 0.00 0.00 174.74 171.23 2rq8 s HIS 94 N 0.51 0.10 -0.23 0.38 2.46 -1.26 -5.17 115.29 112.08 2rq8 s HIS 94 Ca -0.00 -0.45 -0.14 0.00 0.47 0.00 0.00 55.06 54.94 2rq8 s HIS 94 Cb -0.05 0.19 0.07 0.00 -0.13 0.00 0.00 32.58 32.66 2rq8 s HIS 94 CO -0.07 -0.82 0.57 -1.58 -2.47 0.00 0.00 174.74 170.38 2rq8 s HIS 95 N -3.91 -0.86 0.20 3.88 5.04 -1.26 -5.16 115.29 113.22 2rq8 s HIS 95 Ca 0.12 1.77 -0.18 0.00 -1.54 0.00 0.00 55.06 55.24 2rq8 s HIS 95 Cb 0.01 0.47 -0.08 0.00 0.04 0.00 0.00 32.58 33.02 2rq8 s HIS 95 CO -0.02 -0.44 0.66 -1.58 -2.34 0.00 0.00 174.74 171.02 2rq8 s HIS 96 N 1.47 3.63 -2.33 3.88 2.46 -1.26 -5.38 115.29 117.76 2rq8 s HIS 96 Ca -0.09 1.27 0.29 0.00 0.47 0.00 0.00 55.06 57.00 2rq8 s HIS 96 Cb -0.06 -2.53 1.34 0.00 -0.13 0.00 0.00 32.58 31.19 2rq8 s HIS 96 CO -0.16 0.36 1.91 1.58 -2.47 0.00 0.00 174.74 175.96