#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 3.71 0.24 3.17 1.43 -1.26 -5.10 118.68 120.87 2rq8 s LEU 1 Ca 0.00 -0.40 -0.27 0.00 -1.03 0.00 0.00 54.13 52.43 2rq8 s LEU 1 Cb 0.00 -2.37 -0.09 0.00 0.03 0.00 0.00 46.19 43.76 2rq8 s LEU 1 CO 0.00 -0.37 0.87 -0.63 0.23 0.00 0.00 176.35 176.45 2rq8 s ILE 2 N -2.27 4.24 -0.05 -0.59 1.01 -1.26 -5.07 121.20 117.21 2rq8 s ILE 2 Ca 0.42 1.83 -0.04 0.00 0.00 0.00 0.00 60.65 62.86 2rq8 s ILE 2 Cb -0.07 -4.15 0.02 0.00 0.01 0.00 0.00 42.46 38.27 2rq8 s ILE 2 CO 0.28 0.39 0.14 -1.61 0.00 0.00 0.00 174.94 174.14 2rq8 s GLU 3 N -1.47 0.13 0.09 2.79 2.02 -1.26 -5.00 118.70 116.01 2rq8 s GLU 3 Ca 0.42 0.24 -0.35 0.00 0.02 0.00 0.00 54.97 55.30 2rq8 s GLU 3 Cb -0.22 -0.01 -0.15 0.00 0.10 0.00 0.00 34.13 33.85 2rq8 s GLU 3 CO 0.27 -0.07 1.53 0.28 0.02 0.00 0.00 175.26 177.30 2rq8 n VAL 4 N 3.39 0.07 -0.05 2.63 0.31 -1.26 -4.79 118.33 118.63 2rq8 n VAL 4 Ca -0.17 -0.01 -0.16 0.00 -0.01 0.00 0.00 64.34 63.99 2rq8 n VAL 4 Cb 0.57 -1.30 -0.13 0.00 -0.91 0.00 0.00 33.84 32.06 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 5.83 0.04 -2.63 5.55 4.22 -1.55 -3.42 114.58 122.62 2rq8 h GLU 5 Ca -0.46 -0.08 -0.60 0.00 0.08 0.00 0.00 59.36 58.30 2rq8 h GLU 5 Cb 1.29 0.03 -0.39 0.00 0.50 0.00 0.00 28.75 30.17 2rq8 h GLU 5 CO 0.86 1.04 -0.84 0.15 -2.18 0.00 0.00 179.01 178.03 2rq8 s LYS 6 N -2.26 1.26 0.28 1.92 -0.14 -1.24 -5.00 119.74 114.56 2rq8 s LYS 6 Ca -0.19 -2.28 -0.29 0.00 -1.36 0.00 0.00 55.97 51.84 2rq8 s LYS 6 Cb -0.02 -1.96 -0.10 0.00 -1.68 0.00 0.00 37.83 34.07 2rq8 s LYS 6 CO 0.70 -1.32 1.25 -1.25 -0.76 0.00 0.00 175.35 173.97 2rq8 s PRO 7 N -0.12 4.45 -0.47 -1.68 0.04 -1.26 -3.46 135.00 132.49 2rq8 s PRO 7 Ca 0.28 2.05 -0.35 0.00 0.04 0.00 0.00 61.00 63.02 2rq8 s PRO 7 Cb -0.05 -3.14 -0.13 0.00 0.04 0.00 0.00 34.50 31.22 2rq8 s PRO 7 CO -0.14 -0.09 2.27 1.28 0.04 0.00 0.00 177.00 180.36 2rq8 n LEU 8 N 1.42 1.73 0.03 -3.56 4.77 -1.26 -4.77 117.00 115.35 2rq8 n LEU 8 Ca 0.01 0.31 0.08 0.00 -0.03 0.00 0.00 56.01 56.39 2rq8 n LEU 8 Cb 0.43 -1.21 0.34 0.00 -2.33 0.00 0.00 43.42 40.65 2rq8 n LEU 8 CO 0.57 -0.83 0.75 -0.81 -1.33 0.00 0.00 177.39 175.74 2rq8 n PRO 9 N 8.24 0.04 0.00 3.23 -0.04 -1.26 -4.62 135.00 140.59 2rq8 n PRO 9 Ca 0.46 0.29 0.00 0.00 -0.04 0.00 0.00 63.50 64.21 2rq8 n PRO 9 Cb 0.20 -1.57 0.00 0.00 -0.04 0.00 0.00 33.50 32.09 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 0.89 3.83 0.55 0.00 -1.26 -4.95 105.19 104.21 2rq8 n GLY 10 Ca 0.03 0.30 -0.34 0.00 0.00 0.00 0.00 46.02 46.01 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 4.61 -0.11 1.61 1.01 -1.15 -5.01 120.40 121.37 2rq8 s VAL 11 Ca 0.00 1.13 0.01 0.00 0.00 0.00 0.00 61.98 63.12 2rq8 s VAL 11 Cb 0.00 -3.74 0.02 0.00 0.00 0.00 0.00 36.38 32.66 2rq8 s VAL 11 CO 0.00 0.01 -0.11 -0.70 0.00 0.00 0.00 175.10 174.29 2rq8 s GLU 12 N -2.48 1.86 0.20 2.72 2.12 -1.26 -1.85 118.70 120.00 2rq8 s GLU 12 Ca 0.49 -0.41 0.03 0.00 0.36 0.00 0.00 54.97 55.43 2rq8 s GLU 12 Cb -0.13 -1.71 -0.05 0.00 0.26 0.00 0.00 34.13 32.49 2rq8 s GLU 12 CO 0.19 -0.16 0.00 0.14 -0.54 0.00 0.00 175.26 174.90 2rq8 s VAL 13 N 1.29 0.86 0.66 3.70 -7.23 0.57 -4.92 120.40 115.33 2rq8 s VAL 13 Ca -0.02 -2.01 -0.09 0.00 -1.81 0.00 0.00 61.98 58.05 2rq8 s VAL 13 Cb -0.14 -2.24 0.15 0.00 0.56 0.00 0.00 36.38 34.71 2rq8 s VAL 13 CO -0.05 -0.39 0.90 0.49 -0.31 0.00 0.00 175.10 175.74 2rq8 n PHE 14 N -0.33 -3.81 -3.06 2.82 3.01 -1.26 0.02 117.46 114.85 2rq8 n PHE 14 Ca -0.06 -0.92 -0.42 0.00 1.01 0.00 0.00 57.45 57.07 2rq8 n PHE 14 Cb 0.64 -0.69 -0.06 0.00 -0.01 0.00 0.00 39.48 39.36 2rq8 n PHE 14 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 2rq8 s VAL 15 N -2.88 4.85 -1.30 -4.37 0.11 0.48 -4.16 120.40 113.13 2rq8 s VAL 15 Ca 0.52 0.72 -0.04 0.00 -2.93 0.00 0.00 61.98 60.25 2rq8 s VAL 15 Cb -0.02 -4.11 -0.00 0.00 -1.53 0.00 0.00 36.38 30.72 2rq8 s VAL 15 CO 0.36 -0.33 0.62 0.61 -3.33 0.00 0.00 175.10 173.03 2rq8 n GLY 16 N 4.59 -0.41 0.00 6.54 0.00 -1.23 -4.88 105.19 109.80 2rq8 n GLY 16 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 -4.27 0.00 -4.37 1.61 -0.58 -1.26 -4.42 120.64 107.35 2rq8 n GLU 17 Ca -0.26 0.00 -0.20 0.00 -0.42 0.00 0.00 57.16 56.28 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 0.26 1.11 -0.26 2.62 2.01 -1.26 -1.48 115.64 118.63 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 0.00 174.62 173.98 2rq8 s ALA 19 N -0.82 1.71 -0.25 7.40 0.00 0.13 -4.11 121.76 125.82 2rq8 s ALA 19 Ca 0.02 -1.43 -0.10 0.00 0.00 0.00 0.00 51.96 50.45 2rq8 s ALA 19 Cb -0.08 -1.49 -0.04 0.00 0.00 0.00 0.00 23.12 21.51 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 1.52 3.23 -0.08 0.00 3.76 -1.26 -0.91 115.29 121.53 2rq8 s HIS 20 Ca 0.02 0.04 -0.00 0.00 -0.15 0.00 0.00 55.06 54.96 2rq8 s HIS 20 Cb -0.18 -2.28 0.03 0.00 1.11 0.00 0.00 32.58 31.26 2rq8 s HIS 20 CO -0.13 -0.09 -0.04 -0.06 -0.85 0.00 0.00 174.74 173.57 2rq8 s PHE 21 N 1.34 1.04 -0.02 1.40 0.08 -1.08 -4.88 117.98 115.86 2rq8 s PHE 21 Ca 0.07 -0.42 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 41.34 2rq8 s PHE 21 CO 0.06 -0.38 -0.03 -1.83 -0.10 0.00 0.00 175.22 172.94 2rq8 s GLU 22 N 1.66 0.41 0.20 0.44 -1.05 -1.26 -1.54 118.70 117.55 2rq8 s GLU 22 Ca 0.02 -0.09 -0.03 0.00 -0.15 0.00 0.00 54.97 54.72 2rq8 s GLU 22 Cb -0.13 -0.44 -0.04 0.00 -0.44 0.00 0.00 34.13 33.08 2rq8 s GLU 22 CO -0.05 0.01 0.16 0.96 0.95 0.00 0.00 175.26 177.29 2rq8 s ILE 23 N 0.32 0.01 0.01 1.83 -0.00 -1.22 -4.59 121.20 117.56 2rq8 s ILE 23 Ca -0.03 -1.91 0.08 0.00 -0.00 0.00 0.00 60.65 58.80 2rq8 s ILE 23 Cb -0.06 -2.39 -0.02 0.00 -0.00 0.00 0.00 42.46 39.98 2rq8 s ILE 23 CO -0.00 -0.07 -0.26 -1.61 -0.00 0.00 0.00 174.94 173.00 2rq8 s GLU 24 N -4.12 1.91 -0.00 0.37 8.01 -1.22 -3.10 118.70 120.54 2rq8 s GLU 24 Ca 0.35 -1.00 0.02 0.00 0.01 0.00 0.00 54.97 54.34 2rq8 s GLU 24 Cb 0.06 -1.96 -0.03 0.00 -4.31 0.00 0.00 34.13 27.89 2rq8 s GLU 24 CO 0.10 0.52 0.07 1.28 0.01 0.00 0.00 175.26 177.25 2rq8 n LEU 25 N 2.12 0.06 -1.44 1.80 4.77 -1.20 -1.63 117.00 121.47 2rq8 n LEU 25 Ca -0.16 -0.32 -0.19 0.00 -0.03 0.00 0.00 56.01 55.31 2rq8 n LEU 25 Cb 0.52 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.53 2rq8 n LEU 25 CO 0.23 0.02 -0.18 -0.24 -1.33 0.00 0.00 177.39 175.89 2rq8 n SER 26 N -1.24 -5.33 -3.49 -1.43 2.88 -1.26 -4.55 113.62 99.21 2rq8 n SER 26 Ca 0.00 0.46 -0.17 0.00 -1.33 0.00 0.00 58.87 57.83 2rq8 n SER 26 Cb 0.04 -4.48 -0.13 0.00 -0.75 0.00 0.00 64.21 58.90 2rq8 n SER 26 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 2rq8 s GLU 27 N -3.59 0.20 0.00 -1.46 0.41 -1.26 -5.00 118.70 108.00 2rq8 s GLU 27 Ca 0.00 0.24 0.14 0.00 -0.41 0.00 0.00 54.97 54.95 2rq8 s GLU 27 Cb 0.00 -1.12 0.68 0.00 -1.78 0.00 0.00 34.13 31.91 2rq8 s GLU 27 CO 0.00 -0.64 1.42 -0.35 -0.49 0.00 0.00 175.26 175.20 2rq8 n PRO 28 N 5.32 0.12 -2.63 0.39 -0.04 -1.26 -3.42 135.00 133.48 2rq8 n PRO 28 Ca -0.05 0.20 -0.33 0.00 -0.04 0.00 0.00 63.50 63.27 2rq8 n PRO 28 Cb 0.50 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.45 2rq8 n PRO 28 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2rq8 n ASP 29 N -1.38 5.85 -3.59 3.54 5.68 -1.26 -4.92 116.55 120.47 2rq8 n ASP 29 Ca 0.05 -3.72 -0.17 0.00 -0.50 0.00 0.00 54.79 50.46 2rq8 n ASP 29 Cb 0.14 -0.80 -0.14 0.00 -1.14 0.00 0.00 41.12 39.17 2rq8 n ASP 29 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 2rq8 s VAL 30 N -4.69 -0.31 -0.58 2.12 1.01 -1.22 -5.08 120.40 111.64 2rq8 s VAL 30 Ca 0.46 0.13 -0.17 0.00 0.00 0.00 0.00 61.98 62.40 2rq8 s VAL 30 Cb 0.29 -0.49 0.12 0.00 0.00 0.00 0.00 36.38 36.30 2rq8 s VAL 30 CO -0.18 -0.02 0.60 -1.00 0.00 0.00 0.00 175.10 174.50 2rq8 s HIS 31 N 2.33 3.18 0.27 5.22 3.76 -1.26 -4.91 115.29 123.87 2rq8 s HIS 31 Ca 0.04 -1.20 0.06 0.00 -0.15 0.00 0.00 55.06 53.82 2rq8 s HIS 31 Cb -0.14 -3.89 -0.03 0.00 1.11 0.00 0.00 32.58 29.63 2rq8 s HIS 31 CO -0.09 -1.13 0.31 0.20 -0.85 0.00 0.00 174.74 173.17 2rq8 s GLY 32 N 3.54 1.42 0.15 -2.22 0.00 -1.26 -3.77 107.32 105.18 2rq8 s GLY 32 Ca 0.07 -1.40 0.05 0.00 0.00 0.00 0.00 44.72 43.44 2rq8 s GLY 32 CO 0.03 -1.39 -0.10 1.20 0.00 0.00 0.00 173.10 172.83 2rq8 s GLN 33 N -3.96 1.06 -0.14 2.90 -0.21 0.91 -4.95 119.66 115.28 2rq8 s GLN 33 Ca 0.36 -1.44 -0.05 0.00 0.02 0.00 0.00 55.36 54.25 2rq8 s GLN 33 Cb -0.08 -0.65 -0.04 0.00 1.00 0.00 0.00 33.01 33.24 2rq8 s GLN 33 CO 0.27 0.08 0.03 -1.58 -2.12 0.00 0.00 175.29 171.98 2rq8 s TRP 34 N -3.23 3.22 -0.02 0.91 0.52 -1.26 -1.28 118.94 117.79 2rq8 s TRP 34 Ca 0.16 0.09 0.07 0.00 0.02 0.00 0.00 56.10 56.45 2rq8 s TRP 34 Cb 0.02 -1.96 -0.02 0.00 -1.15 0.00 0.00 33.47 30.36 2rq8 s TRP 34 CO 0.01 0.27 -0.25 0.21 0.02 0.00 0.00 176.95 177.21 2rq8 s LYS 35 N -0.14 2.11 0.01 4.98 2.20 0.91 -3.64 119.74 126.17 2rq8 s LYS 35 Ca 0.06 -0.90 0.00 0.00 -0.36 0.00 0.00 55.97 54.77 2rq8 s LYS 35 Cb -0.12 -2.00 -0.01 0.00 -1.51 0.00 0.00 37.83 34.19 2rq8 s LYS 35 CO 0.02 0.52 -0.02 -0.51 -0.36 0.00 0.00 175.35 174.99 2rq8 s LEU 36 N -0.52 2.13 -1.10 5.43 2.01 -1.26 -2.92 118.68 122.44 2rq8 s LEU 36 Ca 0.08 -0.27 -0.21 0.00 0.01 0.00 0.00 54.13 53.73 2rq8 s LEU 36 Cb -0.10 0.03 -0.08 0.00 0.01 0.00 0.00 46.19 46.05 2rq8 s LEU 36 CO -0.00 -0.15 1.92 1.17 1.01 0.00 0.00 176.35 180.29 2rq8 n LYS 37 N 2.28 1.88 0.00 1.70 0.00 -1.26 -2.75 118.16 120.00 2rq8 n LYS 37 Ca -0.18 -2.41 0.00 0.00 0.00 0.00 0.00 58.31 55.71 2rq8 n LYS 37 Cb 0.57 -3.43 0.00 0.00 0.00 0.00 0.00 35.03 32.17 2rq8 n LYS 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2rq8 n GLY 38 N 5.26 0.38 3.88 3.14 0.00 -1.26 -5.15 105.19 111.45 2rq8 n GLY 38 Ca 0.47 -0.02 -0.24 0.00 0.00 0.00 0.00 46.02 46.24 2rq8 n GLY 38 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2rq8 s GLN 39 N 0.00 3.18 -0.02 1.61 -1.52 -1.11 -5.05 119.66 116.75 2rq8 s GLN 39 Ca 0.00 -0.81 -0.26 0.00 -1.95 0.00 0.00 55.36 52.34 2rq8 s GLN 39 Cb 0.00 -2.77 -0.20 0.00 -0.22 0.00 0.00 33.01 29.82 2rq8 s GLN 39 CO 0.00 0.46 1.27 -1.00 -0.25 0.00 0.00 175.29 175.77 2rq8 h PRO 40 N 1.85 0.01 0.00 2.91 0.13 -2.01 -3.44 132.00 131.46 2rq8 h PRO 40 Ca -0.49 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2rq8 h PRO 40 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2rq8 h PRO 40 CO 0.64 0.50 0.00 1.28 -0.23 0.00 0.00 178.00 180.18 2rq8 n LEU 41 N -4.85 0.00 -4.91 1.56 4.32 -1.26 -5.04 117.00 106.82 2rq8 n LEU 41 Ca -0.08 0.00 -0.27 0.00 -0.02 0.00 0.00 56.01 55.63 2rq8 n LEU 41 Cb 0.25 0.00 0.02 0.00 -1.62 0.00 0.00 43.42 42.08 2rq8 n LEU 41 CO 0.34 0.00 0.53 0.00 -1.22 0.00 0.00 177.39 177.03 2rq8 s ALA 42 N -1.82 3.30 -0.70 -1.18 0.00 -1.24 -4.43 121.76 115.69 2rq8 s ALA 42 Ca 0.00 -0.61 -0.01 0.00 0.00 0.00 0.00 51.96 51.34 2rq8 s ALA 42 Cb 0.00 -2.64 0.00 0.00 0.00 0.00 0.00 23.12 20.48 2rq8 s ALA 42 CO 0.00 -0.70 0.59 0.00 0.00 0.00 0.00 175.76 175.65 2rq8 n ALA 43 N -2.53 -1.07 -0.79 0.00 0.00 -1.26 -5.00 120.51 109.86 2rq8 n ALA 43 Ca 0.04 0.02 -0.30 0.00 0.00 0.00 0.00 53.44 53.19 2rq8 n ALA 43 Cb 0.57 -1.95 0.17 0.00 0.00 0.00 0.00 19.45 18.24 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 -3.66 2.83 0.00 0.00 0.01 -1.26 -4.88 113.70 106.74 2rq8 s SER 44 Ca 0.07 1.96 0.15 0.00 1.31 0.00 0.00 55.95 59.43 2rq8 s SER 44 Cb -0.03 -2.48 0.68 0.00 0.21 0.00 0.00 66.02 64.40 2rq8 s SER 44 CO 0.42 -3.12 1.43 -0.81 0.41 0.00 0.00 173.24 171.57 2rq8 n PRO 45 N -4.23 0.11 -0.09 12.44 -0.04 -1.26 -1.98 135.00 139.95 2rq8 n PRO 45 Ca 0.09 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 0.08 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 2.44 -4.29 3.54 2.03 -1.26 -5.03 116.55 112.60 2rq8 n ASP 46 Ca 0.05 -2.13 -0.16 0.00 0.52 0.00 0.00 54.79 53.08 2rq8 n ASP 46 Cb 0.14 -0.14 -0.10 0.00 -0.72 0.00 0.00 41.12 40.30 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 -3.99 0.67 -0.32 0.00 0.41 -1.14 -4.54 118.70 109.79 2rq8 s GLU 48 Ca 0.33 -0.02 0.00 0.00 -0.41 0.00 0.00 54.97 54.88 2rq8 s GLU 48 Cb 0.07 -0.79 0.07 0.00 -1.78 0.00 0.00 34.13 31.70 2rq8 s GLU 48 CO 0.11 -0.14 0.02 0.42 -0.49 0.00 0.00 175.26 175.18 2rq8 s ILE 49 N 1.17 2.71 -0.24 -1.63 1.01 -1.26 -1.87 121.20 121.10 2rq8 s ILE 49 Ca -0.07 -1.76 -0.02 0.00 0.00 0.00 0.00 60.65 58.79 2rq8 s ILE 49 Cb -0.14 -2.71 0.01 0.00 0.01 0.00 0.00 42.46 39.64 2rq8 s ILE 49 CO -0.01 -0.29 -0.06 -0.63 0.00 0.00 0.00 174.94 173.94 2rq8 s ILE 50 N 1.13 3.02 -0.48 2.92 -1.09 -0.49 -4.98 121.20 121.23 2rq8 s ILE 50 Ca -0.00 -0.82 -0.12 0.00 -2.23 0.00 0.00 60.65 57.47 2rq8 s ILE 50 Cb -0.20 -2.46 0.11 0.00 -1.58 0.00 0.00 42.46 38.32 2rq8 s ILE 50 CO -0.04 0.30 0.38 -1.83 -1.23 0.00 0.00 174.94 172.52 2rq8 s GLU 51 N 1.38 2.74 -0.39 2.79 1.03 -1.26 -1.01 118.70 123.98 2rq8 s GLU 51 Ca 0.03 -1.62 -0.15 0.00 0.03 0.00 0.00 54.97 53.26 2rq8 s GLU 51 Cb -0.16 -4.04 0.01 0.00 -0.80 0.00 0.00 34.13 29.14 2rq8 s GLU 51 CO -0.05 -1.16 0.31 0.34 -1.33 0.00 0.00 175.26 173.38 2rq8 s ASP 52 N 2.83 6.12 0.61 0.83 -1.08 0.35 -4.90 116.67 121.43 2rq8 s ASP 52 Ca 0.04 -0.68 0.00 0.00 -0.52 0.00 0.00 52.55 51.39 2rq8 s ASP 52 Cb -0.26 -2.17 0.00 0.00 -1.46 0.00 0.00 42.92 39.03 2rq8 s ASP 52 CO 0.02 -0.41 0.00 0.61 0.52 0.00 0.00 175.17 175.91 2rq8 n GLY 53 N 5.12 0.62 0.00 2.66 0.00 -1.26 -1.14 105.19 111.19 2rq8 n GLY 53 Ca -0.11 0.52 0.01 0.00 0.00 0.00 0.00 46.02 46.44 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 6.02 -3.54 1.61 0.00 -1.26 -4.36 118.16 116.64 2rq8 n LYS 54 Ca 0.00 -0.00 -0.34 0.00 -0.00 0.00 0.00 58.31 57.97 2rq8 n LYS 54 Cb 0.00 -0.60 -0.05 0.00 -0.00 0.00 0.00 35.03 34.38 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 -1.20 3.77 -0.12 -1.58 1.02 -0.29 -3.27 119.74 118.07 2rq8 s LYS 55 Ca 0.00 0.19 -0.01 0.00 0.02 0.00 0.00 55.97 56.18 2rq8 s LYS 55 Cb 0.01 -2.91 0.03 0.00 -0.52 0.00 0.00 37.83 34.44 2rq8 s LYS 55 CO 0.05 0.49 -0.07 -1.01 -0.92 0.00 0.00 175.35 173.89 2rq8 s HIS 56 N -1.52 1.48 -0.15 3.18 3.76 -1.18 -0.50 115.29 120.36 2rq8 s HIS 56 Ca 0.37 -0.78 -0.05 0.00 -0.15 0.00 0.00 55.06 54.45 2rq8 s HIS 56 Cb -0.13 -1.22 -0.04 0.00 1.11 0.00 0.00 32.58 32.30 2rq8 s HIS 56 CO 0.20 -0.53 0.02 -1.50 -0.85 0.00 0.00 174.74 172.08 2rq8 s ILE 57 N 1.71 4.46 -0.15 0.60 1.10 -0.18 -3.44 121.20 125.30 2rq8 s ILE 57 Ca 0.04 -0.16 -0.00 0.00 -0.51 0.00 0.00 60.65 60.01 2rq8 s ILE 57 Cb -0.13 -2.96 0.04 0.00 0.15 0.00 0.00 42.46 39.56 2rq8 s ILE 57 CO -0.08 0.51 -0.06 -0.22 -2.11 0.00 0.00 174.94 172.99 2rq8 s LEU 58 N -0.02 1.48 -0.36 8.50 1.98 -0.59 -1.39 118.68 128.28 2rq8 s LEU 58 Ca 0.04 -0.56 -0.15 0.00 -2.89 0.00 0.00 54.13 50.58 2rq8 s LEU 58 Cb -0.13 -0.89 -0.01 0.00 0.66 0.00 0.00 46.19 45.83 2rq8 s LEU 58 CO 0.02 -0.17 0.34 -0.63 -1.89 0.00 0.00 176.35 174.02 2rq8 s ILE 59 N 1.66 5.19 -0.33 6.68 1.01 -0.78 -2.62 121.20 132.02 2rq8 s ILE 59 Ca 0.02 -0.12 -0.08 0.00 0.00 0.00 0.00 60.65 60.47 2rq8 s ILE 59 Cb -0.14 -3.83 0.02 0.00 0.01 0.00 0.00 42.46 38.51 2rq8 s ILE 59 CO -0.08 -0.13 0.12 -0.22 0.00 0.00 0.00 174.94 174.63 2rq8 s LEU 60 N 1.93 4.18 0.01 2.97 0.20 -0.09 -2.87 118.68 125.02 2rq8 s LEU 60 Ca 0.10 -0.87 -0.28 0.00 0.69 0.00 0.00 54.13 53.77 2rq8 s LEU 60 Cb -0.17 -1.92 -0.04 0.00 -0.43 0.00 0.00 46.19 43.63 2rq8 s LEU 60 CO 0.11 -0.27 0.89 -1.00 -0.29 0.00 0.00 176.35 175.79 2rq8 s HIS 61 N 1.49 3.68 -0.28 5.38 3.76 -1.25 -0.69 115.29 127.38 2rq8 s HIS 61 Ca 0.01 1.59 -0.03 0.00 -0.15 0.00 0.00 55.06 56.49 2rq8 s HIS 61 Cb -0.18 -3.00 0.00 0.00 1.11 0.00 0.00 32.58 30.51 2rq8 s HIS 61 CO 0.04 0.09 0.10 0.09 -0.85 0.00 0.00 174.74 174.21 2rq8 n ASN 62 N 3.51 -7.00 -4.16 1.40 3.02 -0.55 -4.93 115.26 106.54 2rq8 n ASN 62 Ca 0.03 1.05 -0.38 0.00 -0.03 0.00 0.00 54.58 55.24 2rq8 n ASN 62 Cb 0.51 -4.62 -0.05 0.00 -0.61 0.00 0.00 39.78 35.00 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 -1.08 3.24 0.00 0.00 -0.21 -1.26 -3.47 119.66 116.88 2rq8 s GLN 64 Ca 0.26 -0.75 0.00 0.00 0.02 0.00 0.00 55.36 54.89 2rq8 s GLN 64 Cb -0.10 -3.35 0.00 0.00 1.00 0.00 0.00 33.01 30.57 2rq8 s GLN 64 CO -0.10 -0.37 0.64 1.47 -2.12 0.00 0.00 175.29 174.81 2rq8 n LEU 65 N 4.88 -0.56 0.00 2.90 -0.00 -1.26 -5.06 117.00 117.90 2rq8 n LEU 65 Ca -0.15 -1.29 0.00 0.00 -0.00 0.00 0.00 56.01 54.57 2rq8 n LEU 65 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.91 2rq8 n LEU 65 CO 0.31 1.14 0.00 0.61 -0.00 0.00 0.00 177.39 179.46 2rq8 n GLY 66 N 0.00 -2.12 0.39 1.47 0.00 -1.26 -4.61 105.19 99.05 2rq8 n GLY 66 Ca -0.16 -2.21 0.20 0.00 0.00 0.00 0.00 46.02 43.86 2rq8 n GLY 66 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2rq8 h MET 67 N 3.77 0.06 -4.19 1.61 1.85 -1.97 -3.44 114.93 112.63 2rq8 h MET 67 Ca 0.00 -0.00 -0.15 0.00 -0.61 0.00 0.00 59.70 58.94 2rq8 h MET 67 Cb 0.00 -0.01 -0.14 0.00 0.43 0.00 0.00 31.60 31.88 2rq8 h MET 67 CO 0.00 0.04 -0.50 0.95 -0.40 0.00 0.00 176.91 177.00 2rq8 s THR 68 N -5.07 0.08 0.06 -0.77 -4.23 -1.26 -0.07 115.64 104.38 2rq8 s THR 68 Ca -0.05 -1.68 -0.03 0.00 -1.18 0.00 0.00 61.69 58.74 2rq8 s THR 68 Cb 0.20 -1.97 -0.03 0.00 1.34 0.00 0.00 72.50 72.04 2rq8 s THR 68 CO 0.74 -0.38 0.04 -0.83 -0.54 0.00 0.00 174.62 173.65 2rq8 s GLY 69 N -3.02 0.35 -0.29 3.99 0.00 -0.32 -4.81 107.32 103.22 2rq8 s GLY 69 Ca 0.21 -1.01 -0.05 0.00 0.00 0.00 0.00 44.72 43.87 2rq8 s GLY 69 CO 0.01 -1.15 0.04 1.85 0.00 0.00 0.00 173.10 173.86 2rq8 s GLU 70 N -3.84 2.98 -0.25 2.90 2.12 -1.26 -0.77 118.70 120.58 2rq8 s GLU 70 Ca 0.06 -0.91 -0.13 0.00 0.36 0.00 0.00 54.97 54.34 2rq8 s GLU 70 Cb 0.07 -3.27 -0.04 0.00 0.26 0.00 0.00 34.13 31.14 2rq8 s GLU 70 CO -0.10 -0.45 0.30 0.08 -0.54 0.00 0.00 175.26 174.55 2rq8 s VAL 71 N 1.44 5.25 -0.18 3.70 1.01 -1.10 -4.78 120.40 125.73 2rq8 s VAL 71 Ca 0.01 0.44 -0.04 0.00 0.00 0.00 0.00 61.98 62.39 2rq8 s VAL 71 Cb -0.17 -3.63 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 2rq8 s VAL 71 CO 0.01 0.24 -0.02 -0.44 0.00 0.00 0.00 175.10 174.88 2rq8 s SER 72 N 1.40 4.76 -0.08 3.32 0.01 -1.15 -2.22 113.70 119.76 2rq8 s SER 72 Ca 0.13 -0.19 0.01 0.00 1.31 0.00 0.00 55.95 57.20 2rq8 s SER 72 Cb -0.15 -1.80 0.02 0.00 0.21 0.00 0.00 66.02 64.30 2rq8 s SER 72 CO 0.08 0.10 -0.08 0.12 0.41 0.00 0.00 173.24 173.88 2rq8 s PHE 73 N 0.77 1.22 -0.24 2.43 5.36 0.87 -0.06 117.98 128.33 2rq8 s PHE 73 Ca -0.01 -0.49 -0.07 0.00 -0.96 0.00 0.00 56.93 55.40 2rq8 s PHE 73 Cb -0.14 -1.00 -0.03 0.00 -0.34 0.00 0.00 43.02 41.50 2rq8 s PHE 73 CO 0.02 -0.34 0.07 -0.65 -1.46 0.00 0.00 175.22 172.86 2rq8 s GLN 74 N 1.20 3.68 -0.49 10.12 1.11 -0.40 -1.96 119.66 132.92 2rq8 s GLN 74 Ca -0.05 -0.47 0.01 0.00 0.01 0.00 0.00 55.36 54.86 2rq8 s GLN 74 Cb -0.14 -3.31 0.13 0.00 -1.01 0.00 0.00 33.01 28.67 2rq8 s GLN 74 CO -0.02 -0.15 0.26 0.00 0.01 0.00 0.00 175.29 175.38 2rq8 s ALA 75 N 1.51 3.27 -0.57 6.09 0.00 -1.16 -0.06 121.76 130.85 2rq8 s ALA 75 Ca 0.06 -3.00 -0.10 0.00 0.00 0.00 0.00 51.96 48.92 2rq8 s ALA 75 Cb -0.15 -2.30 0.01 0.00 0.00 0.00 0.00 23.12 20.69 2rq8 s ALA 75 CO 0.04 -1.94 0.64 0.00 0.00 0.00 0.00 175.76 174.50 2rq8 n ALA 76 N 3.69 -2.77 -3.98 0.00 0.00 -1.25 -3.10 120.51 113.12 2rq8 n ALA 76 Ca 0.04 0.62 -0.32 0.00 0.00 0.00 0.00 53.44 53.78 2rq8 n ALA 76 Cb 0.37 -2.69 -0.01 0.00 0.00 0.00 0.00 19.45 17.12 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 -0.97 -3.92 -4.27 0.00 4.13 -1.26 -4.95 115.26 104.02 2rq8 n ASN 77 Ca 0.04 -0.83 -0.28 0.00 1.68 0.00 0.00 54.58 55.20 2rq8 n ASN 77 Cb 0.50 -3.18 -0.15 0.00 -1.54 0.00 0.00 39.78 35.41 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 -3.22 1.82 -0.32 3.41 2.01 -1.18 -5.06 115.64 113.11 2rq8 s THR 78 Ca 0.67 -1.14 -0.14 0.00 0.31 0.00 0.00 61.69 61.38 2rq8 s THR 78 Cb -0.35 -1.55 -0.02 0.00 0.01 0.00 0.00 72.50 70.59 2rq8 s THR 78 CO 0.82 0.37 0.34 -0.54 -0.69 0.00 0.00 174.62 174.91 2rq8 s LYS 79 N -0.92 3.72 -0.16 4.92 3.01 -1.26 -2.97 119.74 126.09 2rq8 s LYS 79 Ca 0.09 -0.30 -0.02 0.00 -1.01 0.00 0.00 55.97 54.73 2rq8 s LYS 79 Cb -0.09 -3.75 0.05 0.00 -1.01 0.00 0.00 37.83 33.03 2rq8 s LYS 79 CO 0.01 -0.41 0.01 -1.12 0.51 0.00 0.00 175.35 174.34 2rq8 s SER 80 N 1.71 2.55 -0.04 2.83 0.01 -0.83 -5.00 113.70 114.94 2rq8 s SER 80 Ca 0.12 -0.60 0.03 0.00 1.31 0.00 0.00 55.95 56.81 2rq8 s SER 80 Cb -0.16 -0.63 0.00 0.00 0.21 0.00 0.00 66.02 65.44 2rq8 s SER 80 CO 0.11 -0.25 -0.13 0.00 0.41 0.00 0.00 173.24 173.38 2rq8 s ALA 81 N 1.83 1.19 0.15 1.44 0.00 -1.26 -0.09 121.76 125.03 2rq8 s ALA 81 Ca 0.01 -0.48 0.05 0.00 0.00 0.00 0.00 51.96 51.53 2rq8 s ALA 81 Cb -0.15 -0.43 -0.04 0.00 0.00 0.00 0.00 23.12 22.49 2rq8 s ALA 81 CO -0.07 0.19 -0.10 0.00 0.00 0.00 0.00 175.76 175.78 2rq8 s ALA 82 N 0.21 1.50 0.09 0.00 0.00 -0.94 -4.97 121.76 117.65 2rq8 s ALA 82 Ca -0.05 -1.51 -0.18 0.00 0.00 0.00 0.00 51.96 50.22 2rq8 s ALA 82 Cb -0.11 0.06 -0.07 0.00 0.00 0.00 0.00 23.12 23.00 2rq8 s ALA 82 CO 0.02 -0.09 0.55 1.21 0.00 0.00 0.00 175.76 177.44 2rq8 s ASN 83 N -3.18 6.98 -0.07 0.00 3.84 -1.26 -2.73 114.94 118.52 2rq8 s ASN 83 Ca 0.18 1.19 0.05 0.00 0.21 0.00 0.00 52.86 54.49 2rq8 s ASN 83 Cb 0.02 -2.33 -0.01 0.00 -0.55 0.00 0.00 41.25 38.39 2rq8 s ASN 83 CO 0.01 0.23 -0.23 -0.22 -2.79 0.00 0.00 177.10 174.10 2rq8 s LEU 84 N -1.33 2.04 -0.15 3.21 1.98 0.05 -2.93 118.68 121.55 2rq8 s LEU 84 Ca 0.31 -0.50 -0.03 0.00 -2.89 0.00 0.00 54.13 51.02 2rq8 s LEU 84 Cb -0.18 -1.32 -0.03 0.00 0.66 0.00 0.00 46.19 45.33 2rq8 s LEU 84 CO 0.18 0.20 -0.05 -0.75 -1.89 0.00 0.00 176.35 174.04 2rq8 s LYS 85 N 0.06 3.63 -0.18 1.98 2.47 -0.77 -1.17 119.74 125.76 2rq8 s LYS 85 Ca -0.09 -0.54 -0.07 0.00 -1.56 0.00 0.00 55.97 53.70 2rq8 s LYS 85 Cb -0.15 -2.87 -0.04 0.00 -1.46 0.00 0.00 37.83 33.31 2rq8 s LYS 85 CO 0.05 0.24 0.06 0.08 0.16 0.00 0.00 175.35 175.95 2rq8 s VAL 86 N 0.35 4.79 0.12 4.02 1.01 0.90 -0.31 120.40 131.27 2rq8 s VAL 86 Ca -0.05 -0.04 0.01 0.00 0.00 0.00 0.00 61.98 61.90 2rq8 s VAL 86 Cb -0.14 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.04 2rq8 s VAL 86 CO 0.03 0.46 0.27 -0.75 0.00 0.00 0.00 175.10 175.12 2rq8 s LYS 87 N 0.35 3.46 -0.19 2.72 2.36 0.10 -4.81 119.74 123.75 2rq8 s LYS 87 Ca 0.03 -0.47 -0.08 0.00 -2.55 0.00 0.00 55.97 52.89 2rq8 s LYS 87 Cb -0.12 -2.97 -0.04 0.00 -1.05 0.00 0.00 37.83 33.64 2rq8 s LYS 87 CO 0.00 0.54 0.09 -1.83 1.55 0.00 0.00 175.35 175.70 2rq8 s GLU 88 N -2.93 4.04 -0.54 4.03 1.03 -1.26 -0.39 118.70 122.68 2rq8 s GLU 88 Ca 0.36 -0.29 -0.26 0.00 0.03 0.00 0.00 54.97 54.81 2rq8 s GLU 88 Cb -0.12 -3.29 -0.07 0.00 -0.80 0.00 0.00 34.13 29.85 2rq8 s GLU 88 CO 0.28 0.30 2.36 -0.51 -1.33 0.00 0.00 175.26 176.37 2rq8 s LEU 89 N 0.31 3.33 0.03 1.83 1.43 -1.26 -4.91 118.68 119.44 2rq8 s LEU 89 Ca 0.05 0.88 0.02 0.00 -1.03 0.00 0.00 54.13 54.06 2rq8 s LEU 89 Cb -0.12 -2.51 -0.02 0.00 0.03 0.00 0.00 46.19 43.58 2rq8 s LEU 89 CO -0.01 -2.97 -0.07 -0.22 0.23 0.00 0.00 176.35 173.31 2rq8 s LEU 90 N 12.28 2.17 -0.16 1.79 2.96 -1.26 -5.14 118.68 131.32 2rq8 s LEU 90 Ca 0.94 -0.39 0.00 0.00 -0.22 0.00 0.00 54.13 54.46 2rq8 s LEU 90 Cb -0.16 -0.23 -0.00 0.00 0.50 0.00 0.00 46.19 46.30 2rq8 s LEU 90 CO 0.23 -0.10 -0.15 -1.61 -1.32 0.00 0.00 176.35 173.40 2rq8 s GLU 91 N -1.07 3.22 0.34 1.98 2.02 -1.26 -5.10 118.70 118.82 2rq8 s GLU 91 Ca -0.05 -0.75 -0.11 0.00 0.02 0.00 0.00 54.97 54.08 2rq8 s GLU 91 Cb -0.07 -2.63 0.03 0.00 0.10 0.00 0.00 34.13 31.55 2rq8 s GLU 91 CO 0.00 0.01 0.63 -1.01 0.02 0.00 0.00 175.26 174.92 2rq8 s HIS 92 N 0.82 0.45 0.47 1.61 3.76 -1.26 -5.14 115.29 115.99 2rq8 s HIS 92 Ca -0.05 -0.91 -0.24 0.00 -0.15 0.00 0.00 55.06 53.71 2rq8 s HIS 92 Cb -0.15 0.42 -0.08 0.00 1.11 0.00 0.00 32.58 33.87 2rq8 s HIS 92 CO -0.00 -1.31 1.20 1.58 -0.85 0.00 0.00 174.74 175.36 2rq8 n HIS 93 N -0.51 1.81 -0.05 1.40 -0.00 -1.26 -4.97 115.22 111.64 2rq8 n HIS 93 Ca -0.04 0.49 -0.04 0.00 0.46 0.00 0.00 57.72 58.59 2rq8 n HIS 93 Cb 0.61 -2.32 -0.01 0.00 -0.12 0.00 0.00 29.99 28.15 2rq8 n HIS 93 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2rq8 n HIS 94 N -0.60 0.59 -3.64 1.57 8.25 -1.26 -5.06 115.22 115.07 2rq8 n HIS 94 Ca 0.09 0.25 -0.06 0.00 -0.26 0.00 0.00 57.72 57.74 2rq8 n HIS 94 Cb 0.41 -0.60 -0.07 0.00 1.12 0.00 0.00 29.99 30.86 2rq8 n HIS 94 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2rq8 s HIS 95 N -2.01 -0.49 -0.13 4.41 5.65 -1.26 -5.16 115.29 116.29 2rq8 s HIS 95 Ca -0.13 1.10 -0.06 0.00 0.25 0.00 0.00 55.06 56.22 2rq8 s HIS 95 Cb 0.02 0.36 -0.04 0.00 -1.18 0.00 0.00 32.58 31.74 2rq8 s HIS 95 CO 0.19 -0.24 0.10 -1.58 -0.65 0.00 0.00 174.74 172.55 2rq8 s HIS 96 N 0.68 3.42 -1.81 3.88 2.46 -1.26 -5.32 115.29 117.35 2rq8 s HIS 96 Ca -0.02 0.36 0.14 0.00 0.47 0.00 0.00 55.06 56.01 2rq8 s HIS 96 Cb -0.04 -1.96 0.11 0.00 -0.13 0.00 0.00 32.58 30.56 2rq8 s HIS 96 CO -0.10 0.53 0.96 -2.39 -2.47 0.00 0.00 174.74 171.26