#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 3.89 0.14 -0.89 2.01 -1.26 -5.07 118.68 117.51 2rq8 s LEU 1 Ca 0.00 0.14 -0.31 0.00 0.01 0.00 0.00 54.13 53.97 2rq8 s LEU 1 Cb 0.00 -2.27 -0.10 0.00 0.01 0.00 0.00 46.19 43.83 2rq8 s LEU 1 CO 0.00 0.27 1.63 -0.63 1.01 0.00 0.00 176.35 178.63 2rq8 s ILE 2 N -1.19 2.66 -0.05 -0.59 -1.09 -1.26 -5.00 121.20 114.67 2rq8 s ILE 2 Ca 0.23 0.38 0.01 0.00 -2.23 0.00 0.00 60.65 59.04 2rq8 s ILE 2 Cb -0.12 -3.24 0.02 0.00 -1.58 0.00 0.00 42.46 37.54 2rq8 s ILE 2 CO 0.14 0.02 -0.07 -0.70 -1.23 0.00 0.00 174.94 173.09 2rq8 s GLU 3 N 1.68 1.17 0.37 2.79 2.56 -1.26 -5.02 118.70 120.98 2rq8 s GLU 3 Ca 0.73 -0.22 -0.28 0.00 0.00 0.00 0.00 54.97 55.19 2rq8 s GLU 3 Cb -0.44 -1.07 -0.11 0.00 2.00 0.00 0.00 34.13 34.51 2rq8 s GLU 3 CO 0.32 -0.05 1.47 0.08 -0.56 0.00 0.00 175.26 176.52 2rq8 s VAL 4 N 0.85 2.13 -0.21 3.70 1.01 -1.26 -4.44 120.40 122.18 2rq8 s VAL 4 Ca -0.12 0.13 0.11 0.00 0.00 0.00 0.00 61.98 62.10 2rq8 s VAL 4 Cb -0.15 -3.08 -0.20 0.00 0.00 0.00 0.00 36.38 32.94 2rq8 s VAL 4 CO 0.01 0.03 -0.05 1.21 0.00 0.00 0.00 175.10 176.31 2rq8 n GLU 5 N 0.60 0.78 -3.38 2.72 0.00 0.75 -4.78 120.64 117.32 2rq8 n GLU 5 Ca 0.01 0.05 -0.26 0.00 0.00 0.00 0.00 57.16 56.96 2rq8 n GLU 5 Cb 0.39 -1.49 -0.09 0.00 0.00 0.00 0.00 31.44 30.25 2rq8 n GLU 5 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 2rq8 n LYS 6 N -2.91 0.46 -1.08 5.31 4.81 -1.19 -4.89 118.16 118.67 2rq8 n LYS 6 Ca -0.36 -3.30 -0.30 0.00 -0.87 0.00 0.00 58.31 53.48 2rq8 n LYS 6 Cb 1.06 -1.62 0.23 0.00 0.02 0.00 0.00 35.03 34.72 2rq8 n LYS 6 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2rq8 s PRO 7 N -0.37 -1.10 -0.74 1.64 0.04 -1.26 -2.85 135.00 130.35 2rq8 s PRO 7 Ca 0.33 -0.02 -0.02 0.00 0.04 0.00 0.00 61.00 61.34 2rq8 s PRO 7 Cb 0.07 -1.61 0.18 0.00 0.04 0.00 0.00 34.50 33.18 2rq8 s PRO 7 CO -0.17 -3.64 0.57 -0.51 0.04 0.00 0.00 177.00 173.29 2rq8 s LEU 8 N -6.91 5.30 0.00 -3.56 1.02 -1.26 -4.90 118.68 108.38 2rq8 s LEU 8 Ca 0.70 -3.29 0.15 0.00 0.02 0.00 0.00 54.13 51.71 2rq8 s LEU 8 Cb -0.11 -1.85 0.68 0.00 0.02 0.00 0.00 46.19 44.94 2rq8 s LEU 8 CO 0.56 -0.27 1.43 -0.81 0.02 0.00 0.00 176.35 177.29 2rq8 n PRO 9 N 2.88 0.11 0.00 1.29 -0.04 -1.26 -4.43 135.00 133.56 2rq8 n PRO 9 Ca 0.14 0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.80 2rq8 n PRO 9 Cb 0.37 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.33 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 -0.03 -0.35 3.91 0.55 0.00 -1.26 -4.85 105.19 103.16 2rq8 n GLY 10 Ca 0.05 0.79 -0.33 0.00 0.00 0.00 0.00 46.02 46.54 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 5.40 -0.06 1.61 1.01 -1.18 -5.06 120.40 122.12 2rq8 s VAL 11 Ca 0.00 -0.16 0.04 0.00 0.00 0.00 0.00 61.98 61.86 2rq8 s VAL 11 Cb 0.00 -3.57 -0.00 0.00 0.00 0.00 0.00 36.38 32.81 2rq8 s VAL 11 CO 0.00 0.28 -0.19 -1.83 0.00 0.00 0.00 175.10 173.36 2rq8 s GLU 12 N -2.07 2.21 0.24 2.72 4.04 -1.26 -2.21 118.70 122.37 2rq8 s GLU 12 Ca 0.29 -0.69 -0.11 0.00 0.04 0.00 0.00 54.97 54.50 2rq8 s GLU 12 Cb -0.13 -1.82 -0.01 0.00 0.02 0.00 0.00 34.13 32.20 2rq8 s GLU 12 CO 0.21 0.21 0.44 0.14 -1.84 0.00 0.00 175.26 174.42 2rq8 s VAL 13 N 0.19 0.00 0.42 1.83 -7.23 -0.98 -4.84 120.40 109.79 2rq8 s VAL 13 Ca -0.09 -1.46 -0.05 0.00 -1.81 0.00 0.00 61.98 58.57 2rq8 s VAL 13 Cb -0.14 -2.21 -0.04 0.00 0.56 0.00 0.00 36.38 34.54 2rq8 s VAL 13 CO 0.04 -0.01 0.71 -0.36 -0.31 0.00 0.00 175.10 175.17 2rq8 s PHE 14 N -4.03 3.53 -0.18 2.82 0.08 -1.25 -1.34 117.98 117.61 2rq8 s PHE 14 Ca 0.24 0.73 -0.29 0.00 0.12 0.00 0.00 56.93 57.72 2rq8 s PHE 14 Cb 0.00 -2.21 -0.02 0.00 -0.57 0.00 0.00 43.02 40.22 2rq8 s PHE 14 CO 0.09 -0.12 1.42 0.54 -0.10 0.00 0.00 175.22 177.06 2rq8 s VAL 15 N -2.52 3.99 -1.36 -0.44 0.11 -0.54 -3.48 120.40 116.16 2rq8 s VAL 15 Ca 0.46 1.17 -0.01 0.00 -2.93 0.00 0.00 61.98 60.67 2rq8 s VAL 15 Cb -0.10 -3.85 0.01 0.00 -1.53 0.00 0.00 36.38 30.90 2rq8 s VAL 15 CO 0.39 -0.21 0.64 0.61 -3.33 0.00 0.00 175.10 173.19 2rq8 n GLY 16 N 4.06 -0.28 0.00 6.54 0.00 -1.23 -4.88 105.19 109.40 2rq8 n GLY 16 Ca 0.16 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 -4.34 0.00 -4.37 1.61 -0.58 -1.23 -4.46 120.64 107.28 2rq8 n GLU 17 Ca -0.28 0.00 -0.20 0.00 -0.42 0.00 0.00 57.16 56.26 2rq8 n GLU 17 Cb 0.67 0.00 -0.13 0.00 -0.57 0.00 0.00 31.44 31.40 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 0.48 1.10 -0.26 2.62 2.01 -1.26 -2.42 115.64 117.91 2rq8 s THR 18 Ca 0.00 -0.97 -0.00 0.00 0.31 0.00 0.00 61.69 61.03 2rq8 s THR 18 Cb 0.00 -1.00 0.08 0.00 0.01 0.00 0.00 72.50 71.59 2rq8 s THR 18 CO 0.00 0.02 0.02 0.00 -0.69 0.00 0.00 174.62 173.97 2rq8 s ALA 19 N -0.82 1.75 -0.25 7.40 0.00 0.96 -3.90 121.76 126.90 2rq8 s ALA 19 Ca 0.02 -1.45 -0.10 0.00 0.00 0.00 0.00 51.96 50.43 2rq8 s ALA 19 Cb -0.08 -1.50 -0.04 0.00 0.00 0.00 0.00 23.12 21.50 2rq8 s ALA 19 CO 0.01 -1.39 0.14 -1.01 0.00 0.00 0.00 175.76 173.52 2rq8 s HIS 20 N 1.50 3.21 -0.08 0.00 3.76 -1.26 -0.76 115.29 121.65 2rq8 s HIS 20 Ca 0.02 0.01 -0.01 0.00 -0.15 0.00 0.00 55.06 54.93 2rq8 s HIS 20 Cb -0.18 -2.29 0.03 0.00 1.11 0.00 0.00 32.58 31.24 2rq8 s HIS 20 CO -0.12 -0.12 -0.04 -0.06 -0.85 0.00 0.00 174.74 173.54 2rq8 s PHE 21 N 1.42 1.03 -0.02 1.40 0.08 -1.07 -4.91 117.98 115.91 2rq8 s PHE 21 Ca 0.07 -0.41 0.01 0.00 0.12 0.00 0.00 56.93 56.71 2rq8 s PHE 21 Cb -0.15 -0.97 0.01 0.00 -0.57 0.00 0.00 43.02 41.35 2rq8 s PHE 21 CO 0.07 -0.39 -0.03 -2.00 -0.10 0.00 0.00 175.22 172.77 2rq8 s GLU 22 N 1.70 0.44 0.20 0.44 2.12 -1.26 -1.60 118.70 120.74 2rq8 s GLU 22 Ca 0.02 -0.06 -0.04 0.00 0.36 0.00 0.00 54.97 55.26 2rq8 s GLU 22 Cb -0.13 -0.51 -0.03 0.00 0.26 0.00 0.00 34.13 33.72 2rq8 s GLU 22 CO -0.05 -0.03 0.19 0.96 -0.54 0.00 0.00 175.26 175.78 2rq8 s ILE 23 N 0.56 0.02 0.07 -3.70 -0.00 -1.21 -4.83 121.20 112.11 2rq8 s ILE 23 Ca -0.06 -1.85 0.09 0.00 -0.00 0.00 0.00 60.65 58.84 2rq8 s ILE 23 Cb -0.09 -2.34 -0.03 0.00 -0.00 0.00 0.00 42.46 39.99 2rq8 s ILE 23 CO -0.01 -0.08 -0.25 -1.61 -0.00 0.00 0.00 174.94 172.99 2rq8 s GLU 24 N -4.11 1.56 0.00 0.37 2.02 -1.13 -2.87 118.70 114.54 2rq8 s GLU 24 Ca 0.33 -1.14 0.00 0.00 0.02 0.00 0.00 54.97 54.17 2rq8 s GLU 24 Cb 0.05 -1.81 0.00 0.00 0.10 0.00 0.00 34.13 32.47 2rq8 s GLU 24 CO 0.09 0.45 0.56 1.28 0.02 0.00 0.00 175.26 177.67 2rq8 n LEU 25 N 1.51 1.09 -2.28 1.80 7.99 -1.26 -0.18 117.00 125.67 2rq8 n LEU 25 Ca -0.17 -1.09 -0.12 0.00 -0.01 0.00 0.00 56.01 54.61 2rq8 n LEU 25 Cb 0.53 0.00 -0.01 0.00 -0.11 0.00 0.00 43.42 43.82 2rq8 n LEU 25 CO 0.23 0.27 -0.15 -1.54 -1.51 0.00 0.00 177.39 174.69 2rq8 n SER 26 N -0.10 -3.78 -3.00 -1.43 3.41 -1.26 -4.51 113.62 102.95 2rq8 n SER 26 Ca 0.00 0.21 -0.07 0.00 -0.26 0.00 0.00 58.87 58.75 2rq8 n SER 26 Cb 0.09 -3.26 -0.02 0.00 -0.26 0.00 0.00 64.21 60.76 2rq8 n SER 26 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2rq8 s GLU 27 N -4.73 0.96 0.00 4.33 0.41 -1.26 -4.99 118.70 113.42 2rq8 s GLU 27 Ca 0.00 -1.00 0.14 0.00 -0.41 0.00 0.00 54.97 53.70 2rq8 s GLU 27 Cb 0.00 -0.25 0.68 0.00 -1.78 0.00 0.00 34.13 32.78 2rq8 s GLU 27 CO 0.00 -1.29 1.43 -0.35 -0.49 0.00 0.00 175.26 174.55 2rq8 n PRO 28 N 3.38 0.11 0.26 0.39 -0.04 -1.26 -2.61 135.00 135.23 2rq8 n PRO 28 Ca 0.17 0.20 0.14 0.00 -0.04 0.00 0.00 63.50 63.97 2rq8 n PRO 28 Cb 0.54 -1.50 0.64 0.00 -0.04 0.00 0.00 33.50 33.14 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 -4.43 3.54 3.58 -1.94 -3.45 116.42 113.72 2rq8 h ASP 29 Ca 0.00 0.00 -0.47 0.00 0.42 0.00 0.00 57.03 56.98 2rq8 h ASP 29 Cb 0.19 0.00 -0.09 0.00 1.72 0.00 0.00 39.33 41.15 2rq8 h ASP 29 CO 0.00 0.11 -0.35 1.33 -2.88 0.00 0.00 179.24 177.45 2rq8 n VAL 30 N -3.31 0.00 -3.96 2.25 0.24 -1.07 -5.17 118.33 107.30 2rq8 n VAL 30 Ca -0.00 -1.74 0.00 0.00 -2.04 0.00 0.00 64.34 60.55 2rq8 n VAL 30 Cb 0.32 0.40 0.00 0.00 -1.47 0.00 0.00 33.84 33.10 2rq8 n VAL 30 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 2rq8 n HIS 31 N -0.87 0.00 -4.01 6.34 8.25 -1.26 -5.00 115.22 118.67 2rq8 n HIS 31 Ca -0.13 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.19 2rq8 n HIS 31 Cb 0.46 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.55 2rq8 n HIS 31 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2rq8 n GLY 32 N 0.60 2.07 3.03 -1.41 0.00 -1.26 -2.93 105.19 105.29 2rq8 n GLY 32 Ca 0.00 -1.57 -0.13 0.00 0.00 0.00 0.00 46.02 44.31 2rq8 n GLY 32 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2rq8 s GLN 33 N -2.70 0.47 -0.23 1.61 0.74 0.88 -4.99 119.66 115.43 2rq8 s GLN 33 Ca 0.27 -0.60 -0.07 0.00 0.05 0.00 0.00 55.36 55.01 2rq8 s GLN 33 Cb -0.01 -0.27 -0.03 0.00 1.10 0.00 0.00 33.01 33.80 2rq8 s GLN 33 CO 0.19 0.05 0.06 -1.58 -0.55 0.00 0.00 175.29 173.46 2rq8 s TRP 34 N -1.08 3.09 -0.05 1.67 0.52 -1.26 -0.81 118.94 121.02 2rq8 s TRP 34 Ca -0.08 -0.38 0.04 0.00 0.02 0.00 0.00 56.10 55.70 2rq8 s TRP 34 Cb -0.08 -2.19 -0.02 0.00 -1.15 0.00 0.00 33.47 30.02 2rq8 s TRP 34 CO 0.00 -0.29 -0.16 0.15 0.02 0.00 0.00 176.95 176.67 2rq8 s LYS 35 N 1.38 2.49 0.01 4.98 3.01 0.10 -3.45 119.74 128.26 2rq8 s LYS 35 Ca 0.05 -0.73 0.02 0.00 -1.01 0.00 0.00 55.97 54.30 2rq8 s LYS 35 Cb -0.15 -2.34 -0.01 0.00 -1.01 0.00 0.00 37.83 34.32 2rq8 s LYS 35 CO 0.03 0.59 -0.06 -0.51 0.51 0.00 0.00 175.35 175.91 2rq8 s LEU 36 N -0.65 2.09 0.59 3.17 2.01 -1.26 -2.71 118.68 121.91 2rq8 s LEU 36 Ca 0.10 -0.23 0.34 0.00 0.01 0.00 0.00 54.13 54.35 2rq8 s LEU 36 Cb -0.11 -0.23 1.82 0.00 0.01 0.00 0.00 46.19 47.68 2rq8 s LEU 36 CO 0.01 -0.02 2.19 0.50 1.01 0.00 0.00 176.35 180.04 2rq8 h LYS 37 N 5.55 0.00 0.00 1.70 3.11 -1.98 -3.11 116.57 121.85 2rq8 h LYS 37 Ca -0.30 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.54 2rq8 h LYS 37 Cb 1.20 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.43 2rq8 h LYS 37 CO 0.47 0.04 -0.00 0.78 -2.81 0.00 0.00 179.45 177.93 2rq8 h GLY 38 N 0.61 -0.00 -1.60 5.01 0.00 -1.96 -3.47 103.07 101.66 2rq8 h GLY 38 Ca -0.00 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.83 2rq8 h GLY 38 CO 0.01 -0.00 0.34 1.20 0.00 0.00 0.00 176.54 178.08 2rq8 s GLN 39 N -1.81 3.65 0.00 4.80 -1.52 -1.17 -5.01 119.66 118.60 2rq8 s GLN 39 Ca -0.07 0.67 -0.24 0.00 -1.95 0.00 0.00 55.36 53.77 2rq8 s GLN 39 Cb -0.01 -2.16 -0.18 0.00 -0.22 0.00 0.00 33.01 30.44 2rq8 s GLN 39 CO 0.25 -0.43 1.30 -1.00 -0.25 0.00 0.00 175.29 175.17 2rq8 h PRO 40 N 0.06 0.14 0.00 2.91 0.13 -1.91 -3.40 132.00 129.93 2rq8 h PRO 40 Ca -0.45 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 2rq8 h PRO 40 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2rq8 h PRO 40 CO 0.62 0.59 0.00 1.28 -0.23 0.00 0.00 178.00 180.26 2rq8 n LEU 41 N -4.74 0.00 -4.91 1.56 4.77 -1.26 -4.91 117.00 107.52 2rq8 n LEU 41 Ca -0.08 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.63 2rq8 n LEU 41 Cb 0.29 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.40 2rq8 n LEU 41 CO 0.36 0.00 0.53 0.00 -1.33 0.00 0.00 177.39 176.95 2rq8 s ALA 42 N -1.65 3.30 -0.87 -1.18 0.00 -1.22 -4.31 121.76 115.82 2rq8 s ALA 42 Ca 0.00 -0.56 -0.05 0.00 0.00 0.00 0.00 51.96 51.35 2rq8 s ALA 42 Cb 0.00 -2.66 0.01 0.00 0.00 0.00 0.00 23.12 20.46 2rq8 s ALA 42 CO 0.00 -0.65 0.75 0.00 0.00 0.00 0.00 175.76 175.86 2rq8 n ALA 43 N -2.51 -0.88 -0.85 0.00 0.00 -1.26 -4.99 120.51 110.01 2rq8 n ALA 43 Ca 0.03 0.24 -0.30 0.00 0.00 0.00 0.00 53.44 53.41 2rq8 n ALA 43 Cb 0.56 -3.57 0.16 0.00 0.00 0.00 0.00 19.45 16.60 2rq8 n ALA 43 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2rq8 s SER 44 N -3.27 3.03 0.00 0.00 0.01 -1.26 -4.89 113.70 107.33 2rq8 s SER 44 Ca 0.35 1.94 0.15 0.00 1.31 0.00 0.00 55.95 59.69 2rq8 s SER 44 Cb -0.15 -2.47 0.68 0.00 0.21 0.00 0.00 66.02 64.29 2rq8 s SER 44 CO 0.47 -2.99 1.43 -0.81 0.41 0.00 0.00 173.24 171.75 2rq8 n PRO 45 N -4.15 0.11 -0.09 12.44 -0.04 -1.26 -1.99 135.00 140.02 2rq8 n PRO 45 Ca 0.09 0.20 0.04 0.00 -0.04 0.00 0.00 63.50 63.79 2rq8 n PRO 45 Cb 0.53 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.57 2rq8 n PRO 45 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2rq8 n ASP 46 N -1.39 2.46 -4.19 3.54 5.75 -1.26 -5.03 116.55 116.44 2rq8 n ASP 46 Ca 0.05 -2.23 -0.11 0.00 -0.01 0.00 0.00 54.79 52.49 2rq8 n ASP 46 Cb 0.14 -0.17 -0.10 0.00 -1.03 0.00 0.00 41.12 39.96 2rq8 n ASP 46 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2rq8 s GLU 48 N -4.01 0.68 -0.32 0.00 0.41 -1.16 -4.45 118.70 109.85 2rq8 s GLU 48 Ca 0.25 -0.09 0.00 0.00 -0.41 0.00 0.00 54.97 54.72 2rq8 s GLU 48 Cb 0.07 -0.71 0.07 0.00 -1.78 0.00 0.00 34.13 31.79 2rq8 s GLU 48 CO 0.03 -0.05 0.02 0.42 -0.49 0.00 0.00 175.26 175.19 2rq8 s ILE 49 N 0.73 2.73 -0.07 -1.63 1.01 -1.26 -1.91 121.20 120.80 2rq8 s ILE 49 Ca -0.09 -1.74 0.02 0.00 0.00 0.00 0.00 60.65 58.84 2rq8 s ILE 49 Cb -0.12 -2.71 -0.02 0.00 0.01 0.00 0.00 42.46 39.61 2rq8 s ILE 49 CO -0.00 -0.28 -0.13 -0.63 0.00 0.00 0.00 174.94 173.89 2rq8 s ILE 50 N 1.13 3.10 -0.34 2.92 -1.09 -0.67 -4.99 121.20 121.26 2rq8 s ILE 50 Ca -0.01 -0.69 0.03 0.00 -2.23 0.00 0.00 60.65 57.75 2rq8 s ILE 50 Cb -0.20 -2.24 0.10 0.00 -1.58 0.00 0.00 42.46 38.53 2rq8 s ILE 50 CO -0.04 0.57 0.05 -1.83 -1.23 0.00 0.00 174.94 172.47 2rq8 s GLU 51 N -0.41 1.60 -0.54 2.79 4.04 -1.26 -0.66 118.70 124.25 2rq8 s GLU 51 Ca 0.05 -1.83 -0.16 0.00 0.04 0.00 0.00 54.97 53.07 2rq8 s GLU 51 Cb -0.12 -3.23 0.13 0.00 0.02 0.00 0.00 34.13 30.93 2rq8 s GLU 51 CO 0.02 -0.92 0.51 0.34 -1.84 0.00 0.00 175.26 173.37 2rq8 s ASP 52 N 1.01 6.19 0.38 0.83 -1.08 -1.06 -4.89 116.67 118.05 2rq8 s ASP 52 Ca 0.09 -1.76 0.00 0.00 -0.52 0.00 0.00 52.55 50.36 2rq8 s ASP 52 Cb -0.19 -2.22 0.00 0.00 -1.46 0.00 0.00 42.92 39.05 2rq8 s ASP 52 CO -0.07 -0.87 0.00 0.61 0.52 0.00 0.00 175.17 175.35 2rq8 n GLY 53 N 5.25 1.74 0.00 2.66 0.00 -1.26 -3.41 105.19 110.18 2rq8 n GLY 53 Ca -0.14 -0.30 0.01 0.00 0.00 0.00 0.00 46.02 45.60 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 0.00 0.48 -2.56 1.61 2.85 -1.26 -4.58 118.16 114.70 2rq8 n LYS 54 Ca 0.00 -0.03 -0.30 0.00 -1.05 0.00 0.00 58.31 56.93 2rq8 n LYS 54 Cb 0.00 -1.09 -0.01 0.00 -0.65 0.00 0.00 35.03 33.28 2rq8 n LYS 54 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 177.40 175.76 2rq8 s LYS 55 N -2.24 3.69 -0.07 -1.58 -2.85 -1.22 -4.20 119.74 111.27 2rq8 s LYS 55 Ca -0.01 0.49 0.02 0.00 -1.00 0.00 0.00 55.97 55.46 2rq8 s LYS 55 Cb 0.02 -2.30 0.02 0.00 -2.06 0.00 0.00 37.83 33.51 2rq8 s LYS 55 CO 0.15 -0.21 -0.10 -1.01 0.10 0.00 0.00 175.35 174.28 2rq8 s HIS 56 N -2.66 1.32 -0.10 1.78 3.76 -1.14 -2.57 115.29 115.68 2rq8 s HIS 56 Ca 0.51 -0.49 0.00 0.00 -0.15 0.00 0.00 55.06 54.94 2rq8 s HIS 56 Cb -0.10 -1.00 -0.02 0.00 1.11 0.00 0.00 32.58 32.56 2rq8 s HIS 56 CO 0.40 -0.28 -0.09 -1.50 -0.85 0.00 0.00 174.74 172.42 2rq8 s ILE 57 N 0.80 3.48 -0.12 0.60 1.10 0.16 -3.31 121.20 123.92 2rq8 s ILE 57 Ca -0.12 -0.54 -0.00 0.00 -0.51 0.00 0.00 60.65 59.48 2rq8 s ILE 57 Cb -0.15 -2.45 0.03 0.00 0.15 0.00 0.00 42.46 40.04 2rq8 s ILE 57 CO 0.02 0.56 -0.07 -0.22 -2.11 0.00 0.00 174.94 173.11 2rq8 s LEU 58 N -0.26 1.21 -0.40 8.50 1.98 -0.63 -1.67 118.68 127.42 2rq8 s LEU 58 Ca 0.03 -0.33 -0.15 0.00 -2.89 0.00 0.00 54.13 50.78 2rq8 s LEU 58 Cb -0.13 -0.84 0.01 0.00 0.66 0.00 0.00 46.19 45.90 2rq8 s LEU 58 CO 0.03 -0.13 0.32 -0.63 -1.89 0.00 0.00 176.35 174.05 2rq8 s ILE 59 N 1.71 5.22 -0.28 6.68 1.09 -0.80 -2.60 121.20 132.22 2rq8 s ILE 59 Ca 0.05 -0.49 -0.09 0.00 -1.10 0.00 0.00 60.65 59.01 2rq8 s ILE 59 Cb -0.13 -3.91 -0.03 0.00 -1.06 0.00 0.00 42.46 37.33 2rq8 s ILE 59 CO -0.08 -0.27 0.13 -0.22 -0.10 0.00 0.00 174.94 174.40 2rq8 s LEU 60 N 1.80 3.82 -0.06 2.97 1.98 0.06 -2.98 118.68 126.26 2rq8 s LEU 60 Ca 0.07 -0.22 -0.13 0.00 -2.89 0.00 0.00 54.13 50.95 2rq8 s LEU 60 Cb -0.18 -2.01 -0.05 0.00 0.66 0.00 0.00 46.19 44.61 2rq8 s LEU 60 CO 0.11 -0.08 0.34 -1.00 -1.89 0.00 0.00 176.35 173.83 2rq8 s HIS 61 N 1.67 3.65 -0.40 5.38 3.76 -1.25 -0.03 115.29 128.07 2rq8 s HIS 61 Ca 0.06 0.83 -0.09 0.00 -0.15 0.00 0.00 55.06 55.71 2rq8 s HIS 61 Cb -0.16 -2.25 0.01 0.00 1.11 0.00 0.00 32.58 31.29 2rq8 s HIS 61 CO 0.07 0.56 0.49 0.09 -0.85 0.00 0.00 174.74 175.10 2rq8 n ASN 62 N 2.27 -6.66 -3.99 1.40 3.02 -1.02 -4.94 115.26 105.35 2rq8 n ASN 62 Ca -0.14 0.31 -0.43 0.00 -0.03 0.00 0.00 54.58 54.29 2rq8 n ASN 62 Cb 0.53 -4.45 0.01 0.00 -0.61 0.00 0.00 39.78 35.26 2rq8 n ASN 62 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2rq8 s GLN 64 N -2.84 3.69 -0.01 0.00 -0.21 -1.26 -3.48 119.66 115.55 2rq8 s GLN 64 Ca 0.31 -2.28 0.05 0.00 0.02 0.00 0.00 55.36 53.46 2rq8 s GLN 64 Cb 0.05 -4.66 -0.07 0.00 1.00 0.00 0.00 33.01 29.33 2rq8 s GLN 64 CO 0.10 -1.50 0.10 -0.11 -2.12 0.00 0.00 175.29 171.77 2rq8 n LEU 65 N 4.92 0.00 0.00 2.90 0.00 -1.26 -5.06 117.00 118.51 2rq8 n LEU 65 Ca 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 56.01 56.20 2rq8 n LEU 65 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.89 2rq8 n LEU 65 CO 0.43 0.00 0.00 0.61 0.00 0.00 0.00 177.39 178.43 2rq8 n GLY 66 N 2.22 0.51 0.33 -3.96 0.00 -1.26 -4.73 105.19 98.29 2rq8 n GLY 66 Ca -0.01 -1.90 0.20 0.00 0.00 0.00 0.00 46.02 44.32 2rq8 n GLY 66 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2rq8 h MET 67 N 0.00 0.00 -2.22 1.61 2.86 -1.97 -3.43 114.93 111.78 2rq8 h MET 67 Ca 0.00 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.68 2rq8 h MET 67 Cb 0.00 0.00 -0.17 0.00 0.06 0.00 0.00 31.60 31.49 2rq8 h MET 67 CO 0.00 0.00 0.39 0.95 1.06 0.00 0.00 176.91 179.31 2rq8 s THR 68 N -4.31 0.00 0.07 2.22 -4.23 -1.26 -3.84 115.64 104.29 2rq8 s THR 68 Ca -0.05 0.00 0.04 0.00 -1.18 0.00 0.00 61.69 60.50 2rq8 s THR 68 Cb 0.14 -1.00 -0.03 0.00 1.34 0.00 0.00 72.50 72.95 2rq8 s THR 68 CO 0.46 0.00 -0.12 -0.83 -0.54 0.00 0.00 174.62 173.59 2rq8 s GLY 69 N -1.99 0.79 -0.32 3.99 0.00 -0.98 -4.82 107.32 103.98 2rq8 s GLY 69 Ca -0.00 -0.98 -0.06 0.00 0.00 0.00 0.00 44.72 43.67 2rq8 s GLY 69 CO -0.04 -1.03 0.08 1.85 0.00 0.00 0.00 173.10 173.97 2rq8 s GLU 70 N -1.90 2.81 -0.12 2.90 2.12 -1.26 -0.01 118.70 123.24 2rq8 s GLU 70 Ca -0.02 -1.05 -0.11 0.00 0.36 0.00 0.00 54.97 54.15 2rq8 s GLU 70 Cb -0.09 -3.39 -0.05 0.00 0.26 0.00 0.00 34.13 30.86 2rq8 s GLU 70 CO 0.02 -0.56 0.25 0.54 -0.54 0.00 0.00 175.26 174.96 2rq8 s VAL 71 N 1.43 5.32 -0.13 3.70 0.11 -1.08 -4.70 120.40 125.05 2rq8 s VAL 71 Ca -0.00 0.46 0.02 0.00 -2.93 0.00 0.00 61.98 59.53 2rq8 s VAL 71 Cb -0.18 -3.55 0.00 0.00 -1.53 0.00 0.00 36.38 31.11 2rq8 s VAL 71 CO 0.02 0.51 -0.20 -0.44 -3.33 0.00 0.00 175.10 171.66 2rq8 s SER 72 N -0.37 3.27 -0.04 3.54 0.01 -1.10 -2.33 113.70 116.68 2rq8 s SER 72 Ca 0.17 -0.55 0.03 0.00 1.31 0.00 0.00 55.95 56.91 2rq8 s SER 72 Cb -0.13 -1.47 0.00 0.00 0.21 0.00 0.00 66.02 64.63 2rq8 s SER 72 CO 0.05 0.10 -0.12 0.12 0.41 0.00 0.00 173.24 173.80 2rq8 s PHE 73 N 0.68 1.31 -0.21 2.43 5.36 0.64 -0.72 117.98 127.47 2rq8 s PHE 73 Ca -0.10 -0.38 -0.04 0.00 -0.96 0.00 0.00 56.93 55.46 2rq8 s PHE 73 Cb -0.16 -0.92 -0.01 0.00 -0.34 0.00 0.00 43.02 41.59 2rq8 s PHE 73 CO 0.01 -0.15 -0.05 -1.14 -1.46 0.00 0.00 175.22 172.43 2rq8 s GLN 74 N 0.23 3.38 -0.48 10.12 0.74 0.01 -1.68 119.66 131.98 2rq8 s GLN 74 Ca -0.05 -0.63 0.01 0.00 0.05 0.00 0.00 55.36 54.74 2rq8 s GLN 74 Cb -0.11 -2.99 0.13 0.00 1.10 0.00 0.00 33.01 31.14 2rq8 s GLN 74 CO 0.02 -0.17 0.25 0.00 -0.55 0.00 0.00 175.29 174.83 2rq8 s ALA 75 N 1.40 3.25 -0.67 1.58 0.00 -1.16 -0.08 121.76 126.08 2rq8 s ALA 75 Ca 0.05 -2.96 -0.04 0.00 0.00 0.00 0.00 51.96 49.01 2rq8 s ALA 75 Cb -0.14 -2.29 0.01 0.00 0.00 0.00 0.00 23.12 20.69 2rq8 s ALA 75 CO -0.03 -1.92 0.67 0.00 0.00 0.00 0.00 175.76 174.48 2rq8 n ALA 76 N 3.76 -2.63 -3.85 0.00 0.00 -1.15 -3.07 120.51 113.57 2rq8 n ALA 76 Ca 0.04 0.26 -0.30 0.00 0.00 0.00 0.00 53.44 53.44 2rq8 n ALA 76 Cb 0.38 -2.00 0.01 0.00 0.00 0.00 0.00 19.45 17.83 2rq8 n ALA 76 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2rq8 n ASN 77 N -1.45 -4.28 -4.30 0.00 5.15 -1.26 -4.88 115.26 104.23 2rq8 n ASN 77 Ca 0.01 -0.74 -0.29 0.00 -0.60 0.00 0.00 54.58 52.97 2rq8 n ASN 77 Cb 0.50 -3.46 -0.15 0.00 -0.53 0.00 0.00 39.78 36.14 2rq8 n ASN 77 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2rq8 s THR 78 N -3.21 1.95 -0.30 -0.44 2.01 -1.17 -5.05 115.64 109.42 2rq8 s THR 78 Ca 0.62 -1.20 -0.16 0.00 0.31 0.00 0.00 61.69 61.26 2rq8 s THR 78 Cb -0.32 -1.65 -0.02 0.00 0.01 0.00 0.00 72.50 70.52 2rq8 s THR 78 CO 0.77 0.40 0.43 -0.54 -0.69 0.00 0.00 174.62 174.99 2rq8 s LYS 79 N -0.95 3.85 -0.09 4.92 3.01 -1.26 -2.99 119.74 126.22 2rq8 s LYS 79 Ca 0.10 -0.04 -0.01 0.00 -1.01 0.00 0.00 55.97 55.01 2rq8 s LYS 79 Cb -0.09 -3.72 0.03 0.00 -1.01 0.00 0.00 37.83 33.03 2rq8 s LYS 79 CO 0.01 -0.43 -0.04 -1.12 0.51 0.00 0.00 175.35 174.28 2rq8 s SER 80 N 1.67 1.83 -0.03 2.83 0.01 -0.68 -5.01 113.70 114.33 2rq8 s SER 80 Ca 0.16 -0.19 0.01 0.00 1.31 0.00 0.00 55.95 57.24 2rq8 s SER 80 Cb -0.16 -0.64 0.01 0.00 0.21 0.00 0.00 66.02 65.45 2rq8 s SER 80 CO 0.11 -0.15 -0.04 0.00 0.41 0.00 0.00 173.24 173.58 2rq8 s ALA 81 N 1.76 0.51 0.12 1.44 0.00 -1.26 -0.26 121.76 124.07 2rq8 s ALA 81 Ca 0.04 -0.06 0.03 0.00 0.00 0.00 0.00 51.96 51.97 2rq8 s ALA 81 Cb -0.13 -0.28 -0.04 0.00 0.00 0.00 0.00 23.12 22.67 2rq8 s ALA 81 CO -0.06 0.02 -0.09 0.00 0.00 0.00 0.00 175.76 175.64 2rq8 s ALA 82 N 0.55 1.23 0.10 0.00 0.00 -0.99 -4.96 121.76 117.70 2rq8 s ALA 82 Ca -0.06 -1.42 -0.15 0.00 0.00 0.00 0.00 51.96 50.33 2rq8 s ALA 82 Cb -0.10 0.10 -0.07 0.00 0.00 0.00 0.00 23.12 23.05 2rq8 s ALA 82 CO -0.00 -0.16 0.51 -0.80 0.00 0.00 0.00 175.76 175.32 2rq8 s ASN 83 N -3.09 6.85 -0.13 0.00 0.01 -1.26 -2.64 114.94 114.68 2rq8 s ASN 83 Ca 0.14 1.06 -0.01 0.00 -0.71 0.00 0.00 52.86 53.34 2rq8 s ASN 83 Cb 0.04 -2.28 -0.02 0.00 0.41 0.00 0.00 41.25 39.39 2rq8 s ASN 83 CO -0.02 0.18 -0.09 -0.22 -1.51 0.00 0.00 177.10 175.44 2rq8 s LEU 84 N -1.65 2.96 -0.39 0.60 1.98 0.98 -3.11 118.68 120.06 2rq8 s LEU 84 Ca 0.33 -0.21 -0.09 0.00 -2.89 0.00 0.00 54.13 51.27 2rq8 s LEU 84 Cb -0.16 -1.68 0.06 0.00 0.66 0.00 0.00 46.19 45.07 2rq8 s LEU 84 CO 0.18 0.20 0.21 -0.75 -1.89 0.00 0.00 176.35 174.30 2rq8 s LYS 85 N 0.15 2.64 -0.11 1.98 2.20 -0.94 -2.33 119.74 123.35 2rq8 s LYS 85 Ca -0.05 -1.32 -0.27 0.00 -0.36 0.00 0.00 55.97 53.97 2rq8 s LYS 85 Cb -0.14 -3.70 -0.02 0.00 -1.51 0.00 0.00 37.83 32.46 2rq8 s LYS 85 CO 0.04 -0.84 0.90 0.08 -0.36 0.00 0.00 175.35 175.17 2rq8 s VAL 86 N 1.44 4.87 0.18 4.02 1.01 -1.25 -2.32 120.40 128.36 2rq8 s VAL 86 Ca 0.02 1.82 -0.02 0.00 0.00 0.00 0.00 61.98 63.80 2rq8 s VAL 86 Cb -0.21 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 31.91 2rq8 s VAL 86 CO 0.03 0.07 0.38 -0.75 0.00 0.00 0.00 175.10 174.83 2rq8 s LYS 87 N 1.73 3.54 -0.35 2.72 2.36 -0.45 -4.87 119.74 124.42 2rq8 s LYS 87 Ca 0.44 -0.29 -0.18 0.00 -2.55 0.00 0.00 55.97 53.39 2rq8 s LYS 87 Cb -0.18 -2.85 -0.00 0.00 -1.05 0.00 0.00 37.83 33.75 2rq8 s LYS 87 CO 0.18 0.42 0.49 -1.21 1.55 0.00 0.00 175.35 176.78 2rq8 s GLU 88 N -3.15 3.62 -0.46 4.03 0.41 -1.26 -1.47 118.70 120.41 2rq8 s GLU 88 Ca 0.39 -0.19 -0.27 0.00 -0.41 0.00 0.00 54.97 54.50 2rq8 s GLU 88 Cb -0.11 -3.81 -0.07 0.00 -1.78 0.00 0.00 34.13 28.36 2rq8 s GLU 88 CO 0.28 -0.63 2.39 1.28 -0.49 0.00 0.00 175.26 178.10 2rq8 n LEU 89 N 5.70 2.40 -4.08 1.80 4.77 -1.26 -4.92 117.00 121.40 2rq8 n LEU 89 Ca -0.05 -0.36 -0.28 0.00 -0.03 0.00 0.00 56.01 55.29 2rq8 n LEU 89 Cb 0.49 -1.56 -0.17 0.00 -2.33 0.00 0.00 43.42 39.86 2rq8 n LEU 89 CO 0.44 -1.40 -0.50 -0.76 -1.33 0.00 0.00 177.39 173.85 2rq8 s LEU 90 N 11.45 1.77 -0.51 2.23 1.43 -1.26 -5.02 118.68 128.78 2rq8 s LEU 90 Ca 1.00 -0.41 0.01 0.00 -1.03 0.00 0.00 54.13 53.69 2rq8 s LEU 90 Cb -0.25 -1.07 0.48 0.00 0.03 0.00 0.00 46.19 45.39 2rq8 s LEU 90 CO 0.29 0.05 1.94 -1.84 0.23 0.00 0.00 176.35 177.01 2rq8 n GLU 91 N 3.94 2.32 -1.42 1.70 0.28 -1.26 -5.00 120.64 121.20 2rq8 n GLU 91 Ca -0.20 -2.79 -0.35 0.00 -0.16 0.00 0.00 57.16 53.66 2rq8 n GLU 91 Cb 0.52 -2.10 0.10 0.00 1.43 0.00 0.00 31.44 31.39 2rq8 n GLU 91 CO 0.00 0.00 0.00 -3.38 -0.16 0.00 0.00 177.13 173.59 2rq8 s HIS 92 N -3.17 1.98 -0.10 -1.84 -3.43 -1.26 -5.01 115.29 102.45 2rq8 s HIS 92 Ca 0.54 1.59 -0.07 0.00 -0.80 0.00 0.00 55.06 56.33 2rq8 s HIS 92 Cb 0.44 -3.54 -0.04 0.00 -1.43 0.00 0.00 32.58 28.01 2rq8 s HIS 92 CO 0.04 -2.78 0.15 -1.01 -2.00 0.00 0.00 174.74 169.15 2rq8 s HIS 93 N -1.87 3.60 -0.78 0.38 3.76 -1.26 -5.06 115.29 114.06 2rq8 s HIS 93 Ca 0.76 0.53 -0.00 0.00 -0.15 0.00 0.00 55.06 56.20 2rq8 s HIS 93 Cb -0.31 -1.94 0.19 0.00 1.11 0.00 0.00 32.58 31.63 2rq8 s HIS 93 CO 0.45 0.73 0.62 -1.58 -0.85 0.00 0.00 174.74 174.11 2rq8 s HIS 94 N -1.06 3.68 0.26 1.40 2.46 -1.26 -5.07 115.29 115.70 2rq8 s HIS 94 Ca 0.17 -3.02 -0.29 0.00 0.47 0.00 0.00 55.06 52.38 2rq8 s HIS 94 Cb -0.12 -3.11 -0.09 0.00 -0.13 0.00 0.00 32.58 29.13 2rq8 s HIS 94 CO 0.06 -0.72 0.96 -1.01 -2.47 0.00 0.00 174.74 171.55 2rq8 s HIS 95 N -1.01 3.88 0.38 3.88 3.76 -1.26 -4.95 115.29 119.97 2rq8 s HIS 95 Ca 0.24 1.87 0.05 0.00 -0.15 0.00 0.00 55.06 57.07 2rq8 s HIS 95 Cb -0.11 -3.00 0.76 0.00 1.11 0.00 0.00 32.58 31.34 2rq8 s HIS 95 CO -0.10 0.30 2.01 1.12 -0.85 0.00 0.00 174.74 177.22 2rq8 h HIS 96 N 3.91 0.60 -0.01 1.40 2.07 -2.08 -3.57 115.15 117.45 2rq8 h HIS 96 Ca -0.46 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.07 2rq8 h HIS 96 Cb 1.20 -0.20 0.00 0.00 2.57 0.00 0.00 27.41 30.98 2rq8 h HIS 96 CO 0.61 0.41 0.00 -2.39 -3.07 0.00 0.00 177.93 173.49