#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 3.59 -0.06 4.03 1.43 -1.26 -5.12 118.68 121.29 2rq8 s LEU 1 Ca 0.00 -0.44 0.03 0.00 -1.03 0.00 0.00 54.13 52.69 2rq8 s LEU 1 Cb 0.00 -2.58 -0.03 0.00 0.03 0.00 0.00 46.19 43.62 2rq8 s LEU 1 CO 0.00 -0.83 -0.14 -0.63 0.23 0.00 0.00 176.35 174.98 2rq8 s ILE 2 N -2.40 3.12 -0.02 -0.59 1.01 -1.26 -5.12 121.20 115.94 2rq8 s ILE 2 Ca 0.56 -0.70 -0.00 0.00 0.00 0.00 0.00 60.65 60.51 2rq8 s ILE 2 Cb -0.10 -2.23 0.03 0.00 0.01 0.00 0.00 42.46 40.17 2rq8 s ILE 2 CO 0.34 0.59 0.03 -0.70 0.00 0.00 0.00 174.94 175.20 2rq8 s GLU 3 N -0.64 -0.04 0.21 2.79 2.56 -1.26 -5.06 118.70 117.26 2rq8 s GLU 3 Ca 0.10 0.20 -0.32 0.00 0.00 0.00 0.00 54.97 54.95 2rq8 s GLU 3 Cb -0.11 -0.27 -0.15 0.00 2.00 0.00 0.00 34.13 35.60 2rq8 s GLU 3 CO 0.01 -0.18 1.24 1.55 -0.56 0.00 0.00 175.26 177.32 2rq8 n VAL 4 N 4.27 1.05 -0.05 3.70 3.14 -1.26 -4.64 118.33 124.54 2rq8 n VAL 4 Ca -0.26 -0.26 -0.21 0.00 -2.96 0.00 0.00 64.34 60.64 2rq8 n VAL 4 Cb 0.50 -1.11 -0.13 0.00 -1.06 0.00 0.00 33.84 32.04 2rq8 n VAL 4 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 2rq8 n GLU 5 N 1.73 0.69 -3.47 1.45 0.00 0.89 -4.73 120.64 117.21 2rq8 n GLU 5 Ca 0.13 0.30 -0.27 0.00 0.00 0.00 0.00 57.16 57.32 2rq8 n GLU 5 Cb 0.28 -1.67 -0.10 0.00 0.00 0.00 0.00 31.44 29.96 2rq8 n GLU 5 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2rq8 n LYS 6 N -3.66 0.77 -1.06 5.31 5.02 -1.14 -4.89 118.16 118.50 2rq8 n LYS 6 Ca -0.36 -3.55 -0.30 0.00 -2.02 0.00 0.00 58.31 52.07 2rq8 n LYS 6 Cb 0.96 -1.76 0.25 0.00 -0.02 0.00 0.00 35.03 34.46 2rq8 n LYS 6 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2rq8 s PRO 7 N -0.64 -1.55 -0.75 1.97 0.04 -1.26 -2.52 135.00 130.28 2rq8 s PRO 7 Ca 0.32 -0.18 -0.05 0.00 0.04 0.00 0.00 61.00 61.13 2rq8 s PRO 7 Cb 0.05 -1.57 0.19 0.00 0.04 0.00 0.00 34.50 33.22 2rq8 s PRO 7 CO -0.17 -3.91 0.62 -0.51 0.04 0.00 0.00 177.00 173.07 2rq8 s LEU 8 N -7.03 5.64 0.00 -3.56 1.02 -1.26 -4.89 118.68 108.59 2rq8 s LEU 8 Ca 0.72 -3.09 0.15 0.00 0.02 0.00 0.00 54.13 51.92 2rq8 s LEU 8 Cb -0.08 -1.95 0.69 0.00 0.02 0.00 0.00 46.19 44.87 2rq8 s LEU 8 CO 0.56 -0.35 1.43 -0.81 0.02 0.00 0.00 176.35 177.19 2rq8 n PRO 9 N 3.23 0.12 0.00 1.29 -0.04 -1.26 -4.37 135.00 133.97 2rq8 n PRO 9 Ca 0.13 0.19 0.00 0.00 -0.04 0.00 0.00 63.50 63.78 2rq8 n PRO 9 Cb 0.39 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 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 -0.64 3.86 0.55 0.00 -1.26 -4.84 105.19 102.83 2rq8 n GLY 10 Ca 0.05 0.80 -0.33 0.00 0.00 0.00 0.00 46.02 46.55 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 4.84 -0.05 1.61 1.01 -1.18 -5.00 120.40 121.64 2rq8 s VAL 11 Ca 0.00 0.69 0.05 0.00 0.00 0.00 0.00 61.98 62.72 2rq8 s VAL 11 Cb 0.00 -3.65 -0.00 0.00 0.00 0.00 0.00 36.38 32.73 2rq8 s VAL 11 CO 0.00 -0.02 -0.19 -1.83 0.00 0.00 0.00 175.10 173.06 2rq8 s GLU 12 N -2.64 2.01 0.27 2.72 1.03 -1.26 -1.78 118.70 119.05 2rq8 s GLU 12 Ca 0.47 -0.68 -0.10 0.00 0.03 0.00 0.00 54.97 54.68 2rq8 s GLU 12 Cb -0.12 -1.72 -0.00 0.00 -0.80 0.00 0.00 34.13 31.49 2rq8 s GLU 12 CO 0.20 0.27 0.47 0.14 -1.33 0.00 0.00 175.26 175.01 2rq8 s VAL 13 N 0.02 0.00 0.63 1.83 -7.23 -0.98 -4.81 120.40 109.86 2rq8 s VAL 13 Ca -0.05 -1.47 -0.02 0.00 -1.81 0.00 0.00 61.98 58.64 2rq8 s VAL 13 Cb -0.12 -2.35 0.05 0.00 0.56 0.00 0.00 36.38 34.52 2rq8 s VAL 13 CO 0.03 0.00 0.89 -0.36 -0.31 0.00 0.00 175.10 175.35 2rq8 s PHE 14 N -3.75 2.77 -0.35 2.82 0.08 -1.26 -0.08 117.98 118.21 2rq8 s PHE 14 Ca 0.25 0.14 -0.29 0.00 0.12 0.00 0.00 56.93 57.15 2rq8 s PHE 14 Cb -0.00 -2.95 0.01 0.00 -0.57 0.00 0.00 43.02 39.51 2rq8 s PHE 14 CO 0.12 -1.16 1.18 0.08 -0.10 0.00 0.00 175.22 175.34 2rq8 s VAL 15 N -2.99 4.29 -1.32 -0.44 1.01 -0.80 -3.91 120.40 116.24 2rq8 s VAL 15 Ca 0.59 1.44 -0.05 0.00 0.00 0.00 0.00 61.98 63.96 2rq8 s VAL 15 Cb -0.10 -4.36 -0.00 0.00 0.00 0.00 0.00 36.38 31.92 2rq8 s VAL 15 CO 0.41 -0.60 0.56 0.61 0.00 0.00 0.00 175.10 176.08 2rq8 n GLY 16 N 4.28 -0.42 0.00 4.51 0.00 -1.26 -4.83 105.19 107.47 2rq8 n GLY 16 Ca 0.13 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.37 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 -4.33 0.00 -4.30 1.61 -0.58 -1.25 -4.35 120.64 107.43 2rq8 n GLU 17 Ca -0.26 0.00 -0.20 0.00 -0.42 0.00 0.00 57.16 56.29 2rq8 n GLU 17 Cb 0.66 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 0.36 1.15 -0.26 2.62 2.01 -1.26 -2.02 115.64 118.23 2rq8 s THR 18 Ca 0.00 -1.12 0.00 0.00 0.31 0.00 0.00 61.69 60.88 2rq8 s THR 18 Cb 0.00 -1.06 0.08 0.00 0.01 0.00 0.00 72.50 71.53 2rq8 s THR 18 CO 0.00 -0.06 0.02 0.00 -0.69 0.00 0.00 174.62 173.89 2rq8 s ALA 19 N -0.99 1.77 -0.23 7.40 0.00 0.49 -3.99 121.76 126.21 2rq8 s ALA 19 Ca 0.01 -1.48 -0.10 0.00 0.00 0.00 0.00 51.96 50.39 2rq8 s ALA 19 Cb -0.09 -1.51 -0.05 0.00 0.00 0.00 0.00 23.12 21.48 2rq8 s ALA 19 CO 0.02 -1.40 0.13 -1.01 0.00 0.00 0.00 175.76 173.50 2rq8 s HIS 20 N 1.49 3.27 -0.08 0.00 3.76 -1.26 -1.56 115.29 120.91 2rq8 s HIS 20 Ca 0.02 0.11 -0.00 0.00 -0.15 0.00 0.00 55.06 55.04 2rq8 s HIS 20 Cb -0.18 -2.23 0.03 0.00 1.11 0.00 0.00 32.58 31.30 2rq8 s HIS 20 CO -0.13 0.02 -0.04 -0.06 -0.85 0.00 0.00 174.74 173.68 2rq8 s PHE 21 N 1.01 1.04 -0.03 1.40 0.08 -1.09 -4.87 117.98 115.52 2rq8 s PHE 21 Ca 0.06 -0.41 0.01 0.00 0.12 0.00 0.00 56.93 56.71 2rq8 s PHE 21 Cb -0.14 -0.97 0.01 0.00 -0.57 0.00 0.00 43.02 41.36 2rq8 s PHE 21 CO 0.04 -0.38 -0.05 -1.83 -0.10 0.00 0.00 175.22 172.90 2rq8 s GLU 22 N 1.66 0.76 0.21 0.44 1.03 -1.26 -2.18 118.70 119.36 2rq8 s GLU 22 Ca 0.02 -0.15 -0.06 0.00 0.03 0.00 0.00 54.97 54.80 2rq8 s GLU 22 Cb -0.13 -0.75 -0.02 0.00 -0.80 0.00 0.00 34.13 32.43 2rq8 s GLU 22 CO -0.05 -0.01 0.28 0.96 -1.33 0.00 0.00 175.26 175.11 2rq8 s ILE 23 N 0.59 0.01 0.01 1.83 -0.00 -1.24 -4.80 121.20 117.60 2rq8 s ILE 23 Ca -0.08 -1.71 0.08 0.00 -0.00 0.00 0.00 60.65 58.95 2rq8 s ILE 23 Cb -0.11 -2.31 -0.02 0.00 -0.00 0.00 0.00 42.46 40.01 2rq8 s ILE 23 CO 0.00 -0.04 -0.25 -1.61 -0.00 0.00 0.00 174.94 173.05 2rq8 s GLU 24 N -4.08 1.85 0.00 0.37 2.02 -1.05 -3.13 118.70 114.68 2rq8 s GLU 24 Ca 0.30 -0.97 0.02 0.00 0.02 0.00 0.00 54.97 54.35 2rq8 s GLU 24 Cb 0.04 -1.89 0.03 0.00 0.10 0.00 0.00 34.13 32.40 2rq8 s GLU 24 CO 0.10 0.50 0.64 1.28 0.02 0.00 0.00 175.26 177.80 2rq8 n LEU 25 N 2.15 1.34 -2.42 1.80 7.99 -1.26 -0.08 117.00 126.53 2rq8 n LEU 25 Ca -0.16 -1.14 -0.12 0.00 -0.01 0.00 0.00 56.01 54.58 2rq8 n LEU 25 Cb 0.52 -0.01 -0.01 0.00 -0.11 0.00 0.00 43.42 43.82 2rq8 n LEU 25 CO 0.23 0.31 -0.15 -0.24 -1.51 0.00 0.00 177.39 176.03 2rq8 n SER 26 N 0.08 -3.74 -3.15 -1.43 2.88 -1.26 -4.64 113.62 102.35 2rq8 n SER 26 Ca 0.02 0.21 -0.10 0.00 -1.33 0.00 0.00 58.87 57.67 2rq8 n SER 26 Cb 0.09 -3.20 -0.04 0.00 -0.75 0.00 0.00 64.21 60.32 2rq8 n SER 26 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 2rq8 s GLU 27 N -4.98 0.85 0.00 -1.46 2.56 -1.26 -4.99 118.70 109.43 2rq8 s GLU 27 Ca 0.00 -0.96 0.15 0.00 0.00 0.00 0.00 54.97 54.15 2rq8 s GLU 27 Cb 0.00 -0.43 0.77 0.00 2.00 0.00 0.00 34.13 36.47 2rq8 s GLU 27 CO 0.00 -1.26 1.40 -0.35 -0.56 0.00 0.00 175.26 174.48 2rq8 n PRO 28 N 3.69 0.25 -0.61 4.30 -0.04 -1.26 -2.38 135.00 138.94 2rq8 n PRO 28 Ca 0.16 0.13 0.06 0.00 -0.04 0.00 0.00 63.50 63.80 2rq8 n PRO 28 Cb 0.52 -1.50 0.30 0.00 -0.04 0.00 0.00 33.50 32.77 2rq8 n PRO 28 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2rq8 n ASP 29 N -1.25 4.32 -3.96 3.54 2.03 -1.26 -4.82 116.55 115.15 2rq8 n ASP 29 Ca 0.08 -2.59 -0.09 0.00 0.52 0.00 0.00 54.79 52.71 2rq8 n ASP 29 Cb 0.11 -0.60 -0.09 0.00 -0.72 0.00 0.00 41.12 39.82 2rq8 n ASP 29 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2rq8 s VAL 30 N -2.15 0.16 0.52 5.18 1.01 -1.00 -5.17 120.40 118.94 2rq8 s VAL 30 Ca 0.40 -1.28 0.04 0.00 0.00 0.00 0.00 61.98 61.14 2rq8 s VAL 30 Cb 0.29 -1.12 0.01 0.00 0.00 0.00 0.00 36.38 35.57 2rq8 s VAL 30 CO 0.14 -0.71 0.23 -1.00 0.00 0.00 0.00 175.10 173.76 2rq8 s HIS 31 N -3.15 1.79 0.34 5.22 3.76 -1.26 -4.96 115.29 117.03 2rq8 s HIS 31 Ca -0.00 -0.87 0.03 0.00 -0.15 0.00 0.00 55.06 54.07 2rq8 s HIS 31 Cb 0.02 -1.80 -0.01 0.00 1.11 0.00 0.00 32.58 31.90 2rq8 s HIS 31 CO -0.07 -0.15 0.37 0.20 -0.85 0.00 0.00 174.74 174.24 2rq8 s GLY 32 N -4.10 1.97 -0.07 -2.22 0.00 -1.26 -1.62 107.32 100.01 2rq8 s GLY 32 Ca 0.23 -1.83 -0.06 0.00 0.00 0.00 0.00 44.72 43.06 2rq8 s GLY 32 CO 0.14 -1.26 0.19 1.62 0.00 0.00 0.00 173.10 173.79 2rq8 s GLN 33 N -3.24 0.19 -0.23 2.90 0.74 -0.45 -4.97 119.66 114.60 2rq8 s GLN 33 Ca 0.36 0.32 -0.10 0.00 0.05 0.00 0.00 55.36 56.00 2rq8 s GLN 33 Cb 0.01 0.02 -0.05 0.00 1.10 0.00 0.00 33.01 34.10 2rq8 s GLN 33 CO 0.25 -0.07 0.13 -1.58 -0.55 0.00 0.00 175.29 173.47 2rq8 s TRP 34 N 0.46 3.29 -0.02 1.67 0.52 -1.26 -1.82 118.94 121.78 2rq8 s TRP 34 Ca -0.03 0.15 0.07 0.00 0.02 0.00 0.00 56.10 56.31 2rq8 s TRP 34 Cb -0.04 -2.22 -0.02 0.00 -1.15 0.00 0.00 33.47 30.04 2rq8 s TRP 34 CO -0.02 0.07 -0.22 0.15 0.02 0.00 0.00 176.95 176.95 2rq8 s LYS 35 N 0.90 1.87 -0.00 4.98 -0.14 0.32 -3.41 119.74 124.25 2rq8 s LYS 35 Ca 0.07 -0.80 -0.01 0.00 -1.36 0.00 0.00 55.97 53.86 2rq8 s LYS 35 Cb -0.13 -1.78 -0.00 0.00 -1.68 0.00 0.00 37.83 34.23 2rq8 s LYS 35 CO 0.03 0.47 0.02 -0.51 -0.76 0.00 0.00 175.35 174.59 2rq8 s LEU 36 N -0.48 1.97 0.62 3.17 1.43 -1.26 -2.56 118.68 121.56 2rq8 s LEU 36 Ca 0.07 -0.08 0.32 0.00 -1.03 0.00 0.00 54.13 53.41 2rq8 s LEU 36 Cb -0.09 0.10 1.82 0.00 0.03 0.00 0.00 46.19 48.06 2rq8 s LEU 36 CO -0.00 -0.09 2.14 0.07 0.23 0.00 0.00 176.35 178.70 2rq8 h LYS 37 N 5.72 0.00 0.22 1.70 2.10 -1.98 -2.92 116.57 121.41 2rq8 h LYS 37 Ca -0.26 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.38 2rq8 h LYS 37 Cb 1.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.54 2rq8 h LYS 37 CO 0.47 0.00 -0.10 0.78 -2.00 0.00 0.00 179.45 178.60 2rq8 h GLY 38 N 0.00 -0.30 -1.48 0.07 0.00 -1.95 -3.46 103.07 95.95 2rq8 h GLY 38 Ca 0.05 0.11 -0.50 0.00 0.00 0.00 0.00 47.33 46.99 2rq8 h GLY 38 CO -0.00 -0.11 0.40 1.20 0.00 0.00 0.00 176.54 178.03 2rq8 s GLN 39 N -2.48 3.68 -0.01 4.80 -1.52 -1.10 -5.01 119.66 118.02 2rq8 s GLN 39 Ca -0.04 0.79 -0.24 0.00 -1.95 0.00 0.00 55.36 53.91 2rq8 s GLN 39 Cb 0.00 -2.10 -0.19 0.00 -0.22 0.00 0.00 33.01 30.50 2rq8 s GLN 39 CO 0.13 -0.49 1.29 -1.00 -0.25 0.00 0.00 175.29 174.97 2rq8 h PRO 40 N 0.00 0.09 0.00 2.91 0.13 -1.90 -3.40 132.00 129.84 2rq8 h PRO 40 Ca -0.45 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 64.62 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 0.55 -0.01 1.28 -0.23 0.00 0.00 178.00 180.21 2rq8 n LEU 41 N -4.78 0.00 -4.91 1.56 4.77 -1.26 -4.91 117.00 107.48 2rq8 n LEU 41 Ca -0.08 -0.13 -0.27 0.00 -0.03 0.00 0.00 56.01 55.49 2rq8 n LEU 41 Cb 0.28 0.10 0.02 0.00 -2.33 0.00 0.00 43.42 41.49 2rq8 n LEU 41 CO 0.35 -0.03 0.52 0.00 -1.33 0.00 0.00 177.39 176.90 2rq8 s ALA 42 N -1.76 3.31 -0.94 -1.18 0.00 -1.22 -4.28 121.76 115.69 2rq8 s ALA 42 Ca 0.01 -0.55 -0.05 0.00 0.00 0.00 0.00 51.96 51.37 2rq8 s ALA 42 Cb -0.00 -2.66 0.01 0.00 0.00 0.00 0.00 23.12 20.47 2rq8 s ALA 42 CO 0.01 -0.62 0.69 0.00 0.00 0.00 0.00 175.76 175.84 2rq8 n ALA 43 N -2.49 -0.81 -0.86 0.00 0.00 -1.26 -4.99 120.51 110.11 2rq8 n ALA 43 Ca 0.03 0.25 -0.31 0.00 0.00 0.00 0.00 53.44 53.42 2rq8 n ALA 43 Cb 0.56 -3.57 0.16 0.00 0.00 0.00 0.00 19.45 16.59 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 -3.11 3.10 0.00 0.00 0.01 -1.26 -4.89 113.70 107.56 2rq8 s SER 44 Ca 0.34 1.96 0.15 0.00 1.31 0.00 0.00 55.95 59.71 2rq8 s SER 44 Cb -0.15 -2.49 0.68 0.00 0.21 0.00 0.00 66.02 64.27 2rq8 s SER 44 CO 0.42 -2.95 1.43 -0.81 0.41 0.00 0.00 173.24 171.75 2rq8 n PRO 45 N -4.12 0.11 -0.08 12.44 -0.04 -1.26 -1.98 135.00 140.07 2rq8 n PRO 45 Ca 0.10 0.20 0.03 0.00 -0.04 0.00 0.00 63.50 63.78 2rq8 n PRO 45 Cb 0.53 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.56 2rq8 n PRO 45 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2rq8 n ASP 46 N -1.39 2.41 -4.25 3.54 2.03 -1.26 -5.03 116.55 112.61 2rq8 n ASP 46 Ca 0.05 -2.07 -0.14 0.00 0.52 0.00 0.00 54.79 53.16 2rq8 n ASP 46 Cb 0.14 -0.12 -0.10 0.00 -0.72 0.00 0.00 41.12 40.32 2rq8 n ASP 46 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2rq8 s GLU 48 N -3.94 0.74 -0.32 0.00 0.41 -1.14 -4.49 118.70 109.97 2rq8 s GLU 48 Ca 0.26 -0.05 -0.00 0.00 -0.41 0.00 0.00 54.97 54.76 2rq8 s GLU 48 Cb 0.06 -0.82 0.07 0.00 -1.78 0.00 0.00 34.13 31.66 2rq8 s GLU 48 CO 0.05 -0.12 0.03 0.42 -0.49 0.00 0.00 175.26 175.15 2rq8 s ILE 49 N 1.10 2.83 -0.08 -1.63 1.01 -1.26 -2.11 121.20 121.05 2rq8 s ILE 49 Ca -0.08 -1.68 0.02 0.00 0.00 0.00 0.00 60.65 58.91 2rq8 s ILE 49 Cb -0.14 -2.75 -0.02 0.00 0.01 0.00 0.00 42.46 39.56 2rq8 s ILE 49 CO -0.01 -0.27 -0.13 -0.63 0.00 0.00 0.00 174.94 173.89 2rq8 s ILE 50 N 1.16 3.11 -0.38 2.92 -1.09 -0.73 -5.00 121.20 121.19 2rq8 s ILE 50 Ca -0.01 -0.68 -0.00 0.00 -2.23 0.00 0.00 60.65 57.72 2rq8 s ILE 50 Cb -0.20 -2.25 0.10 0.00 -1.58 0.00 0.00 42.46 38.53 2rq8 s ILE 50 CO -0.03 0.57 0.14 -1.83 -1.23 0.00 0.00 174.94 172.56 2rq8 s GLU 51 N -0.39 1.85 -0.54 2.79 1.03 -1.26 -1.09 118.70 121.09 2rq8 s GLU 51 Ca 0.04 -1.81 -0.16 0.00 0.03 0.00 0.00 54.97 53.07 2rq8 s GLU 51 Cb -0.12 -3.43 0.13 0.00 -0.80 0.00 0.00 34.13 29.90 2rq8 s GLU 51 CO 0.02 -1.00 0.51 0.34 -1.33 0.00 0.00 175.26 173.80 2rq8 s ASP 52 N 1.48 6.19 0.44 0.83 -1.08 -1.05 -4.90 116.67 118.58 2rq8 s ASP 52 Ca 0.08 -1.75 0.00 0.00 -0.52 0.00 0.00 52.55 50.36 2rq8 s ASP 52 Cb -0.21 -2.21 0.00 0.00 -1.46 0.00 0.00 42.92 39.03 2rq8 s ASP 52 CO -0.05 -0.87 0.00 0.61 0.52 0.00 0.00 175.17 175.38 2rq8 n GLY 53 N 5.25 1.89 0.00 2.66 0.00 -1.26 -3.12 105.19 110.61 2rq8 n GLY 53 Ca -0.14 -0.15 0.02 0.00 0.00 0.00 0.00 46.02 45.75 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 0.42 -2.46 1.61 2.85 -1.26 -4.58 118.16 114.75 2rq8 n LYS 54 Ca 0.00 -0.03 -0.29 0.00 -1.05 0.00 0.00 58.31 56.93 2rq8 n LYS 54 Cb 0.00 -1.10 -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 -2.27 3.63 -0.08 -1.58 -2.85 -1.18 -4.15 119.74 111.27 2rq8 s LYS 55 Ca -0.02 0.45 0.01 0.00 -1.00 0.00 0.00 55.97 55.42 2rq8 s LYS 55 Cb 0.02 -2.28 0.02 0.00 -2.06 0.00 0.00 37.83 33.53 2rq8 s LYS 55 CO 0.17 -0.27 -0.09 -1.01 0.10 0.00 0.00 175.35 174.24 2rq8 s HIS 56 N -2.78 1.32 -0.12 1.78 3.76 -1.18 -2.52 115.29 115.56 2rq8 s HIS 56 Ca 0.51 -0.53 -0.01 0.00 -0.15 0.00 0.00 55.06 54.88 2rq8 s HIS 56 Cb -0.10 -1.04 -0.03 0.00 1.11 0.00 0.00 32.58 32.52 2rq8 s HIS 56 CO 0.44 -0.33 -0.06 -1.50 -0.85 0.00 0.00 174.74 172.43 2rq8 s ILE 57 N 1.03 3.69 -0.10 0.60 1.10 -0.25 -3.61 121.20 123.66 2rq8 s ILE 57 Ca -0.08 -0.45 0.00 0.00 -0.51 0.00 0.00 60.65 59.61 2rq8 s ILE 57 Cb -0.15 -2.56 0.02 0.00 0.15 0.00 0.00 42.46 39.92 2rq8 s ILE 57 CO -0.00 0.54 -0.08 -0.22 -2.11 0.00 0.00 174.94 173.06 2rq8 s LEU 58 N -0.12 1.26 -0.37 8.50 1.98 -0.93 -1.78 118.68 127.23 2rq8 s LEU 58 Ca 0.01 -0.29 -0.09 0.00 -2.89 0.00 0.00 54.13 50.87 2rq8 s LEU 58 Cb -0.13 -0.81 0.04 0.00 0.66 0.00 0.00 46.19 45.94 2rq8 s LEU 58 CO 0.03 -0.09 0.18 -0.63 -1.89 0.00 0.00 176.35 173.95 2rq8 s ILE 59 N 1.48 4.29 -0.22 6.68 1.01 -0.90 -2.66 121.20 130.87 2rq8 s ILE 59 Ca 0.01 -1.01 -0.04 0.00 0.00 0.00 0.00 60.65 59.61 2rq8 s ILE 59 Cb -0.13 -3.43 -0.00 0.00 0.01 0.00 0.00 42.46 38.90 2rq8 s ILE 59 CO -0.05 -0.25 -0.04 -0.22 0.00 0.00 0.00 174.94 174.37 2rq8 s LEU 60 N 1.49 2.93 0.24 2.97 2.96 -0.60 -2.86 118.68 125.82 2rq8 s LEU 60 Ca 0.01 -0.45 -0.13 0.00 -0.22 0.00 0.00 54.13 53.34 2rq8 s LEU 60 Cb -0.20 -1.73 -0.08 0.00 0.50 0.00 0.00 46.19 44.68 2rq8 s LEU 60 CO 0.05 -0.04 0.62 -1.00 -1.32 0.00 0.00 176.35 174.67 2rq8 s HIS 61 N 1.46 3.46 -0.42 5.38 3.76 -1.26 -0.38 115.29 127.29 2rq8 s HIS 61 Ca 0.05 1.05 -0.08 0.00 -0.15 0.00 0.00 55.06 55.93 2rq8 s HIS 61 Cb -0.14 -2.39 0.01 0.00 1.11 0.00 0.00 32.58 31.16 2rq8 s HIS 61 CO -0.03 0.25 0.50 0.09 -0.85 0.00 0.00 174.74 174.69 2rq8 n ASN 62 N 0.02 -6.65 -1.68 1.40 3.02 -0.85 -4.92 115.26 105.60 2rq8 n ASN 62 Ca 0.00 0.26 0.07 0.00 -0.03 0.00 0.00 54.58 54.89 2rq8 n ASN 62 Cb 0.52 -4.44 0.38 0.00 -0.61 0.00 0.00 39.78 35.63 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 0.38 1.80 -2.89 0.00 10.64 -1.26 -4.50 117.38 121.54 2rq8 n GLN 64 Ca 0.26 0.56 -0.10 0.00 -1.83 0.00 0.00 57.00 55.89 2rq8 n GLN 64 Cb 1.13 -2.83 -0.01 0.00 -0.86 0.00 0.00 30.24 27.68 2rq8 n GLN 64 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 2rq8 n LEU 65 N 9.53 -2.60 0.00 2.61 4.32 -1.26 -4.92 117.00 124.67 2rq8 n LEU 65 Ca 0.31 -3.37 0.00 0.00 -0.02 0.00 0.00 56.01 52.93 2rq8 n LEU 65 Cb 0.34 0.73 0.00 0.00 -1.62 0.00 0.00 43.42 42.87 2rq8 n LEU 65 CO 0.71 1.95 0.00 0.61 -1.22 0.00 0.00 177.39 179.44 2rq8 n GLY 66 N 2.54 2.26 0.00 -0.72 0.00 -1.26 -2.47 105.19 105.54 2rq8 n GLY 66 Ca 0.18 0.27 0.02 0.00 0.00 0.00 0.00 46.02 46.49 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 4.42 0.50 -3.97 1.61 0.00 -1.26 -5.01 117.12 113.40 2rq8 n MET 67 Ca 0.00 -0.04 -0.09 0.00 0.00 0.00 0.00 57.70 57.57 2rq8 n MET 67 Cb 0.00 -1.11 -0.04 0.00 0.00 0.00 0.00 33.22 32.07 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 -2.29 0.00 0.09 3.17 -4.23 -1.03 -2.60 115.64 108.75 2rq8 s THR 68 Ca -0.02 -1.34 -0.08 0.00 -1.18 0.00 0.00 61.69 59.08 2rq8 s THR 68 Cb 0.03 -2.27 -0.01 0.00 1.34 0.00 0.00 72.50 71.59 2rq8 s THR 68 CO 0.19 0.00 0.16 -0.83 -0.54 0.00 0.00 174.62 173.60 2rq8 s GLY 69 N -3.03 0.18 -0.32 3.99 0.00 -0.90 -4.72 107.32 102.52 2rq8 s GLY 69 Ca 0.21 -0.73 -0.06 0.00 0.00 0.00 0.00 44.72 44.15 2rq8 s GLY 69 CO 0.10 -0.88 0.08 1.85 0.00 0.00 0.00 173.10 174.24 2rq8 s GLU 70 N -3.88 2.72 -0.17 2.90 2.12 -1.26 -0.02 118.70 121.11 2rq8 s GLU 70 Ca 0.06 -1.10 -0.12 0.00 0.36 0.00 0.00 54.97 54.17 2rq8 s GLU 70 Cb 0.05 -3.37 -0.05 0.00 0.26 0.00 0.00 34.13 31.02 2rq8 s GLU 70 CO -0.10 -0.59 0.24 0.54 -0.54 0.00 0.00 175.26 174.81 2rq8 s VAL 71 N 1.40 5.34 -0.14 3.70 0.11 -1.06 -4.69 120.40 125.06 2rq8 s VAL 71 Ca -0.01 0.44 0.01 0.00 -2.93 0.00 0.00 61.98 59.49 2rq8 s VAL 71 Cb -0.19 -3.58 -0.00 0.00 -1.53 0.00 0.00 36.38 31.08 2rq8 s VAL 71 CO 0.02 0.42 -0.18 -0.44 -3.33 0.00 0.00 175.10 171.59 2rq8 s SER 72 N 0.32 3.50 -0.05 3.54 0.01 -1.06 -2.32 113.70 117.64 2rq8 s SER 72 Ca 0.14 -0.49 -0.02 0.00 1.31 0.00 0.00 55.95 56.89 2rq8 s SER 72 Cb -0.12 -1.52 0.04 0.00 0.21 0.00 0.00 66.02 64.62 2rq8 s SER 72 CO 0.02 0.11 0.09 0.12 0.41 0.00 0.00 173.24 173.99 2rq8 s PHE 73 N 0.66 -0.02 -0.20 2.43 5.36 0.04 -0.52 117.98 125.71 2rq8 s PHE 73 Ca -0.09 0.35 -0.02 0.00 -0.96 0.00 0.00 56.93 56.21 2rq8 s PHE 73 Cb -0.16 -0.36 0.00 0.00 -0.34 0.00 0.00 43.02 42.17 2rq8 s PHE 73 CO 0.02 -0.19 -0.11 -0.65 -1.46 0.00 0.00 175.22 172.83 2rq8 s GLN 74 N 1.95 3.22 -0.09 10.12 1.11 -0.75 -1.93 119.66 133.29 2rq8 s GLN 74 Ca 0.01 -0.71 0.04 0.00 0.01 0.00 0.00 55.36 54.71 2rq8 s GLN 74 Cb -0.12 -2.82 -0.01 0.00 -1.01 0.00 0.00 33.01 29.05 2rq8 s GLN 74 CO -0.04 -0.19 -0.22 0.00 0.01 0.00 0.00 175.29 174.85 2rq8 s ALA 75 N 1.37 2.28 -1.30 6.09 0.00 -0.85 -1.34 121.76 128.01 2rq8 s ALA 75 Ca 0.05 -0.99 -0.06 0.00 0.00 0.00 0.00 51.96 50.96 2rq8 s ALA 75 Cb -0.14 -0.84 0.01 0.00 0.00 0.00 0.00 23.12 22.15 2rq8 s ALA 75 CO -0.07 0.35 1.13 0.00 0.00 0.00 0.00 175.76 177.17 2rq8 n ALA 76 N 3.22 -1.52 -1.11 0.00 0.00 -0.64 -1.05 120.51 119.41 2rq8 n ALA 76 Ca -0.18 0.27 -0.04 0.00 0.00 0.00 0.00 53.44 53.49 2rq8 n ALA 76 Cb 0.52 -4.58 -0.02 0.00 0.00 0.00 0.00 19.45 15.38 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 -3.03 -5.14 -4.87 0.00 2.85 -1.26 -4.97 115.26 98.83 2rq8 n ASN 77 Ca -0.08 0.09 -0.36 0.00 -0.11 0.00 0.00 54.58 54.13 2rq8 n ASN 77 Cb 0.59 -2.98 -0.06 0.00 1.24 0.00 0.00 39.78 38.58 2rq8 n ASN 77 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 2rq8 s THR 78 N -1.58 5.26 -0.27 -0.44 2.01 -0.22 -5.07 115.64 115.32 2rq8 s THR 78 Ca 0.00 0.34 -0.17 0.00 0.31 0.00 0.00 61.69 62.17 2rq8 s THR 78 Cb 0.00 -3.58 -0.03 0.00 0.01 0.00 0.00 72.50 68.91 2rq8 s THR 78 CO 0.00 0.44 0.48 -1.59 -0.69 0.00 0.00 174.62 173.26 2rq8 s LYS 79 N -1.53 4.00 -0.06 4.92 -2.85 -1.26 -2.00 119.74 120.97 2rq8 s LYS 79 Ca 0.25 0.19 0.00 0.00 -1.00 0.00 0.00 55.97 55.42 2rq8 s LYS 79 Cb -0.14 -3.67 0.02 0.00 -2.06 0.00 0.00 37.83 31.98 2rq8 s LYS 79 CO 0.14 -0.37 -0.04 -1.12 0.10 0.00 0.00 175.35 174.06 2rq8 s SER 80 N 1.60 1.32 0.09 0.03 0.01 -0.81 -5.01 113.70 110.93 2rq8 s SER 80 Ca 0.19 -0.15 0.05 0.00 1.31 0.00 0.00 55.95 57.35 2rq8 s SER 80 Cb -0.16 -0.52 -0.03 0.00 0.21 0.00 0.00 66.02 65.52 2rq8 s SER 80 CO 0.10 -0.09 -0.13 0.00 0.41 0.00 0.00 173.24 173.54 2rq8 s ALA 81 N 1.24 1.21 0.11 1.44 0.00 -1.26 -0.78 121.76 123.72 2rq8 s ALA 81 Ca -0.06 -1.12 -0.13 0.00 0.00 0.00 0.00 51.96 50.65 2rq8 s ALA 81 Cb -0.14 -0.05 0.02 0.00 0.00 0.00 0.00 23.12 22.96 2rq8 s ALA 81 CO -0.02 0.08 0.32 0.00 0.00 0.00 0.00 175.76 176.14 2rq8 s ALA 82 N -1.86 -0.66 0.13 0.00 0.00 -0.98 -4.88 121.76 113.52 2rq8 s ALA 82 Ca 0.03 -0.28 -0.10 0.00 0.00 0.00 0.00 51.96 51.61 2rq8 s ALA 82 Cb -0.06 0.63 -0.06 0.00 0.00 0.00 0.00 23.12 23.62 2rq8 s ALA 82 CO 0.02 -0.60 0.47 1.21 0.00 0.00 0.00 175.76 176.85 2rq8 s ASN 83 N -2.83 6.67 -0.11 0.00 3.84 -1.26 -2.57 114.94 118.68 2rq8 s ASN 83 Ca 0.04 0.87 0.00 0.00 0.21 0.00 0.00 52.86 53.98 2rq8 s ASN 83 Cb 0.03 -2.21 -0.02 0.00 -0.55 0.00 0.00 41.25 38.50 2rq8 s ASN 83 CO -0.11 0.09 -0.11 -0.22 -2.79 0.00 0.00 177.10 173.96 2rq8 s LEU 84 N -2.18 2.85 -0.32 3.21 1.98 0.97 -3.08 118.68 122.11 2rq8 s LEU 84 Ca 0.38 -0.23 -0.02 0.00 -2.89 0.00 0.00 54.13 51.36 2rq8 s LEU 84 Cb -0.13 -1.63 0.06 0.00 0.66 0.00 0.00 46.19 45.15 2rq8 s LEU 84 CO 0.20 0.23 0.05 -0.75 -1.89 0.00 0.00 176.35 174.18 2rq8 s LYS 85 N -0.01 2.31 0.09 1.98 2.20 -0.73 -2.13 119.74 123.45 2rq8 s LYS 85 Ca -0.03 -1.40 -0.28 0.00 -0.36 0.00 0.00 55.97 53.91 2rq8 s LYS 85 Cb -0.14 -3.27 -0.06 0.00 -1.51 0.00 0.00 37.83 32.85 2rq8 s LYS 85 CO 0.04 -0.72 0.88 0.08 -0.36 0.00 0.00 175.35 175.26 2rq8 s VAL 86 N 1.22 4.59 -0.02 4.02 1.01 -1.07 -2.31 120.40 127.84 2rq8 s VAL 86 Ca -0.02 1.88 0.05 0.00 0.00 0.00 0.00 61.98 63.90 2rq8 s VAL 86 Cb -0.20 -4.23 -0.03 0.00 0.00 0.00 0.00 36.38 31.92 2rq8 s VAL 86 CO -0.02 0.34 -0.17 -0.54 0.00 0.00 0.00 175.10 174.72 2rq8 s LYS 87 N -0.06 2.32 0.66 2.72 -0.14 0.88 -4.88 119.74 121.24 2rq8 s LYS 87 Ca 0.43 -0.81 -0.17 0.00 -1.36 0.00 0.00 55.97 54.06 2rq8 s LYS 87 Cb -0.22 -2.28 -0.00 0.00 -1.68 0.00 0.00 37.83 33.65 2rq8 s LYS 87 CO 0.27 0.59 1.21 -1.21 -0.76 0.00 0.00 175.35 175.45 2rq8 s GLU 88 N -0.94 2.60 -0.03 1.68 2.02 -1.26 -1.91 118.70 120.86 2rq8 s GLU 88 Ca 0.12 1.80 0.12 0.00 0.02 0.00 0.00 54.97 57.03 2rq8 s GLU 88 Cb -0.10 -1.88 0.39 0.00 0.10 0.00 0.00 34.13 32.63 2rq8 s GLU 88 CO 0.02 -1.49 1.30 1.28 0.02 0.00 0.00 175.26 176.38 2rq8 n LEU 89 N -2.11 2.56 -3.16 1.80 4.32 -1.26 -4.74 117.00 114.41 2rq8 n LEU 89 Ca 0.14 -1.28 0.05 0.00 -0.02 0.00 0.00 56.01 54.89 2rq8 n LEU 89 Cb 0.50 -0.35 -0.02 0.00 -1.62 0.00 0.00 43.42 41.93 2rq8 n LEU 89 CO 0.46 0.55 0.55 -0.22 -1.22 0.00 0.00 177.39 177.51 2rq8 s LEU 90 N -1.11 -0.56 -0.20 2.23 2.96 -1.26 -5.07 118.68 115.67 2rq8 s LEU 90 Ca 0.29 0.37 -0.12 0.00 -0.22 0.00 0.00 54.13 54.45 2rq8 s LEU 90 Cb 0.17 1.48 -0.08 0.00 0.50 0.00 0.00 46.19 48.25 2rq8 s LEU 90 CO 0.17 -0.10 -0.29 1.21 -1.32 0.00 0.00 176.35 176.02 2rq8 n GLU 91 N 5.44 0.46 -3.58 1.98 0.00 -1.26 -5.11 120.64 118.58 2rq8 n GLU 91 Ca -0.06 0.20 -0.05 0.00 0.00 0.00 0.00 57.16 57.25 2rq8 n GLU 91 Cb 0.53 -1.29 -0.02 0.00 0.00 0.00 0.00 31.44 30.67 2rq8 n GLU 91 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 2rq8 s HIS 92 N -2.50 -0.16 0.68 4.31 5.04 -1.26 -5.16 115.29 116.24 2rq8 s HIS 92 Ca -0.29 0.09 -0.14 0.00 -1.54 0.00 0.00 55.06 53.18 2rq8 s HIS 92 Cb 0.10 0.52 0.01 0.00 0.04 0.00 0.00 32.58 33.24 2rq8 s HIS 92 CO 0.38 -0.25 1.11 -1.58 -2.34 0.00 0.00 174.74 172.06 2rq8 s HIS 93 N -2.51 2.63 -0.06 3.88 2.46 -1.26 -5.02 115.29 115.41 2rq8 s HIS 93 Ca 0.09 1.55 -0.05 0.00 0.47 0.00 0.00 55.06 57.11 2rq8 s HIS 93 Cb -0.01 -3.14 -0.02 0.00 -0.13 0.00 0.00 32.58 29.28 2rq8 s HIS 93 CO -0.05 -1.69 -0.10 1.58 -2.47 0.00 0.00 174.74 172.01 2rq8 n HIS 94 N -2.61 0.04 -1.85 3.88 -0.00 -1.26 -4.88 115.22 108.54 2rq8 n HIS 94 Ca 0.10 0.02 -0.43 0.00 0.46 0.00 0.00 57.72 57.87 2rq8 n HIS 94 Cb 0.52 -0.19 -0.03 0.00 -0.12 0.00 0.00 29.99 30.17 2rq8 n HIS 94 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2rq8 s HIS 95 N -1.58 1.56 -0.21 1.57 2.46 -1.26 -4.94 115.29 112.89 2rq8 s HIS 95 Ca -0.09 0.63 -0.15 0.00 0.47 0.00 0.00 55.06 55.93 2rq8 s HIS 95 Cb 0.01 -4.04 0.06 0.00 -0.13 0.00 0.00 32.58 28.48 2rq8 s HIS 95 CO 0.13 -3.31 0.53 -1.58 -2.47 0.00 0.00 174.74 168.04 2rq8 s HIS 96 N 7.62 -0.73 -2.00 3.88 5.04 -1.26 -5.29 115.29 122.56 2rq8 s HIS 96 Ca 0.87 1.58 0.04 0.00 -1.54 0.00 0.00 55.06 56.01 2rq8 s HIS 96 Cb -0.26 0.34 0.24 0.00 0.04 0.00 0.00 32.58 32.95 2rq8 s HIS 96 CO 0.33 -0.37 0.72 0.72 -2.34 0.00 0.00 174.74 173.80