#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 4.26 -0.45 4.03 2.01 -1.26 -5.03 118.68 122.24 2rq8 s LEU 1 Ca 0.00 2.04 0.03 0.00 0.01 0.00 0.00 54.13 56.21 2rq8 s LEU 1 Cb 0.00 -4.05 0.12 0.00 0.01 0.00 0.00 46.19 42.28 2rq8 s LEU 1 CO 0.00 -0.34 0.20 -0.63 1.01 0.00 0.00 176.35 176.59 2rq8 s ILE 2 N -1.56 2.23 -0.18 -0.59 -1.09 -1.26 -5.09 121.20 113.66 2rq8 s ILE 2 Ca 0.54 -2.86 -0.05 0.00 -2.23 0.00 0.00 60.65 56.04 2rq8 s ILE 2 Cb -0.23 -2.58 -0.03 0.00 -1.58 0.00 0.00 42.46 38.04 2rq8 s ILE 2 CO 0.29 -0.76 0.01 -1.83 -1.23 0.00 0.00 174.94 171.42 2rq8 s GLU 3 N 0.20 3.74 0.47 2.79 -1.05 -1.26 -5.00 118.70 118.59 2rq8 s GLU 3 Ca 0.15 -0.47 -0.24 0.00 -0.15 0.00 0.00 54.97 54.26 2rq8 s GLU 3 Cb -0.24 -3.06 -0.08 0.00 -0.44 0.00 0.00 34.13 30.31 2rq8 s GLU 3 CO -0.03 0.17 1.28 1.55 0.95 0.00 0.00 175.26 179.18 2rq8 n VAL 4 N 3.77 2.95 -0.08 1.83 3.14 -1.26 -4.73 118.33 123.94 2rq8 n VAL 4 Ca -0.17 -0.50 -0.18 0.00 -2.96 0.00 0.00 64.34 60.53 2rq8 n VAL 4 Cb 0.52 -1.57 -0.13 0.00 -1.06 0.00 0.00 33.84 31.60 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 -0.29 0.69 -2.99 1.45 4.07 0.87 -4.83 120.64 119.60 2rq8 n GLU 5 Ca 0.08 0.18 -0.12 0.00 -0.06 0.00 0.00 57.16 57.23 2rq8 n GLU 5 Cb 0.41 -1.59 -0.03 0.00 -0.06 0.00 0.00 31.44 30.17 2rq8 n GLU 5 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 2rq8 s LYS 6 N -2.53 1.01 0.02 5.31 1.02 -1.18 -4.93 119.74 118.45 2rq8 s LYS 6 Ca -0.27 -1.41 -0.00 0.00 0.02 0.00 0.00 55.97 54.30 2rq8 s LYS 6 Cb 0.08 -0.52 0.00 0.00 -0.52 0.00 0.00 37.83 36.87 2rq8 s LYS 6 CO 0.68 -1.35 0.02 -0.35 -0.92 0.00 0.00 175.35 173.43 2rq8 n PRO 7 N 2.94 -1.06 -3.61 -1.68 -0.04 -1.26 -2.39 135.00 127.90 2rq8 n PRO 7 Ca 0.22 -0.02 -0.38 0.00 -0.04 0.00 0.00 63.50 63.28 2rq8 n PRO 7 Cb 0.53 -0.02 -0.07 0.00 -0.04 0.00 0.00 33.50 33.90 2rq8 n PRO 7 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2rq8 s LEU 8 N 0.00 5.62 0.00 1.53 1.02 -1.26 -4.89 118.68 120.70 2rq8 s LEU 8 Ca 0.01 -3.30 0.15 0.00 0.02 0.00 0.00 54.13 51.00 2rq8 s LEU 8 Cb -0.00 -1.94 0.70 0.00 0.02 0.00 0.00 46.19 44.97 2rq8 s LEU 8 CO 0.01 -0.30 1.42 -0.81 0.02 0.00 0.00 176.35 176.70 2rq8 n PRO 9 N 2.93 0.14 0.00 1.29 -0.04 -1.26 -4.43 135.00 133.63 2rq8 n PRO 9 Ca 0.16 0.18 0.00 0.00 -0.04 0.00 0.00 63.50 63.80 2rq8 n PRO 9 Cb 0.38 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 2rq8 n PRO 9 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2rq8 n GLY 10 N -0.03 -0.86 3.88 0.55 0.00 -1.26 -4.87 105.19 102.60 2rq8 n GLY 10 Ca 0.06 0.90 -0.33 0.00 0.00 0.00 0.00 46.02 46.65 2rq8 n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2rq8 s VAL 11 N 0.00 5.12 -0.09 1.61 1.01 -1.18 -5.05 120.40 121.81 2rq8 s VAL 11 Ca 0.00 0.22 0.02 0.00 0.00 0.00 0.00 61.98 62.21 2rq8 s VAL 11 Cb 0.00 -3.63 0.02 0.00 0.00 0.00 0.00 36.38 32.77 2rq8 s VAL 11 CO 0.00 0.11 -0.13 -1.83 0.00 0.00 0.00 175.10 173.25 2rq8 s GLU 12 N -2.42 1.96 0.08 2.72 4.04 -1.26 -2.51 118.70 121.31 2rq8 s GLU 12 Ca 0.39 -0.47 -0.12 0.00 0.04 0.00 0.00 54.97 54.81 2rq8 s GLU 12 Cb -0.13 -1.69 0.01 0.00 0.02 0.00 0.00 34.13 32.35 2rq8 s GLU 12 CO 0.22 -0.06 0.27 0.14 -1.84 0.00 0.00 175.26 173.99 2rq8 s VAL 13 N 0.97 0.11 0.80 1.83 -7.23 -0.84 -4.84 120.40 111.20 2rq8 s VAL 13 Ca -0.08 -0.89 -0.12 0.00 -1.81 0.00 0.00 61.98 59.09 2rq8 s VAL 13 Cb -0.15 -1.17 0.08 0.00 0.56 0.00 0.00 36.38 35.70 2rq8 s VAL 13 CO -0.01 -0.49 1.17 -0.36 -0.31 0.00 0.00 175.10 175.11 2rq8 s PHE 14 N -3.45 2.97 -0.17 2.82 0.40 -1.26 -0.08 117.98 119.21 2rq8 s PHE 14 Ca 0.01 0.75 -0.26 0.00 -0.60 0.00 0.00 56.93 56.84 2rq8 s PHE 14 Cb 0.02 -3.47 -0.01 0.00 0.51 0.00 0.00 43.02 40.07 2rq8 s PHE 14 CO -0.09 -1.74 0.87 0.54 0.70 0.00 0.00 175.22 175.49 2rq8 s VAL 15 N -3.56 4.85 -1.38 -0.44 0.11 0.36 -3.99 120.40 116.35 2rq8 s VAL 15 Ca 0.62 1.70 -0.03 0.00 -2.93 0.00 0.00 61.98 61.34 2rq8 s VAL 15 Cb -0.11 -4.17 0.02 0.00 -1.53 0.00 0.00 36.38 30.59 2rq8 s VAL 15 CO 0.49 0.01 0.71 0.61 -3.33 0.00 0.00 175.10 173.59 2rq8 n GLY 16 N 3.42 -0.32 0.00 6.54 0.00 -1.26 -4.79 105.19 108.78 2rq8 n GLY 16 Ca 0.05 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 -4.39 0.00 -4.28 1.61 -0.58 -1.26 -4.50 120.64 107.25 2rq8 n GLU 17 Ca -0.22 0.00 -0.19 0.00 -0.42 0.00 0.00 57.16 56.32 2rq8 n GLU 17 Cb 0.64 0.00 -0.13 0.00 -0.57 0.00 0.00 31.44 31.39 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 0.82 1.13 -0.27 2.62 2.01 -1.26 -1.02 115.64 119.68 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 -1.05 0.08 0.00 0.01 0.00 0.00 72.50 71.53 2rq8 s THR 18 CO 0.00 -0.09 0.02 0.00 -0.69 0.00 0.00 174.62 173.86 2rq8 s ALA 19 N -1.03 1.82 -0.23 7.40 0.00 -0.54 -4.09 121.76 125.09 2rq8 s ALA 19 Ca 0.00 -1.51 -0.09 0.00 0.00 0.00 0.00 51.96 50.36 2rq8 s ALA 19 Cb -0.09 -1.52 -0.04 0.00 0.00 0.00 0.00 23.12 21.47 2rq8 s ALA 19 CO 0.02 -1.40 0.12 -1.01 0.00 0.00 0.00 175.76 173.49 2rq8 s HIS 20 N 1.46 3.22 -0.08 0.00 3.76 -1.26 -1.59 115.29 120.80 2rq8 s HIS 20 Ca 0.02 0.00 -0.00 0.00 -0.15 0.00 0.00 55.06 54.92 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 -0.12 -0.06 -0.04 -0.06 -0.85 0.00 0.00 174.74 173.61 2rq8 s PHE 21 N 1.15 1.03 -0.02 1.40 0.08 -1.09 -4.87 117.98 115.66 2rq8 s PHE 21 Ca 0.06 -0.41 0.02 0.00 0.12 0.00 0.00 56.93 56.73 2rq8 s PHE 21 Cb -0.14 -0.96 0.00 0.00 -0.57 0.00 0.00 43.02 41.35 2rq8 s PHE 21 CO 0.04 -0.38 -0.08 -2.00 -0.10 0.00 0.00 175.22 172.70 2rq8 s GLU 22 N 1.66 0.81 0.19 0.44 2.12 -1.26 -1.85 118.70 120.81 2rq8 s GLU 22 Ca 0.02 -0.28 -0.04 0.00 0.36 0.00 0.00 54.97 55.03 2rq8 s GLU 22 Cb -0.13 -0.77 -0.03 0.00 0.26 0.00 0.00 34.13 33.46 2rq8 s GLU 22 CO -0.05 0.13 0.19 0.96 -0.54 0.00 0.00 175.26 175.95 2rq8 s ILE 23 N 0.06 0.02 -0.08 -3.70 -0.00 -1.23 -4.66 121.20 111.61 2rq8 s ILE 23 Ca -0.01 -1.84 0.04 0.00 -0.00 0.00 0.00 60.65 58.85 2rq8 s ILE 23 Cb -0.06 -2.33 -0.00 0.00 -0.00 0.00 0.00 42.46 40.07 2rq8 s ILE 23 CO 0.00 -0.10 -0.22 -1.61 -0.00 0.00 0.00 174.94 173.01 2rq8 s GLU 24 N -4.10 2.68 -0.01 0.37 2.02 -1.01 -3.37 118.70 115.28 2rq8 s GLU 24 Ca 0.32 -0.81 0.12 0.00 0.02 0.00 0.00 54.97 54.62 2rq8 s GLU 24 Cb 0.06 -2.10 -0.15 0.00 0.10 0.00 0.00 34.13 32.03 2rq8 s GLU 24 CO 0.09 0.21 0.40 1.28 0.02 0.00 0.00 175.26 177.26 2rq8 n LEU 25 N 3.40 0.32 -1.21 1.80 4.77 -1.22 -0.09 117.00 124.77 2rq8 n LEU 25 Ca -0.19 -0.30 -0.16 0.00 -0.03 0.00 0.00 56.01 55.34 2rq8 n LEU 25 Cb 0.53 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.55 2rq8 n LEU 25 CO 0.27 0.08 -0.15 -1.54 -1.33 0.00 0.00 177.39 174.72 2rq8 n SER 26 N -1.54 -5.44 -3.38 -1.43 3.41 -1.26 -4.61 113.62 99.36 2rq8 n SER 26 Ca 0.00 0.39 -0.25 0.00 -0.26 0.00 0.00 58.87 58.75 2rq8 n SER 26 Cb 0.23 -4.33 -0.10 0.00 -0.26 0.00 0.00 64.21 59.75 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 -3.31 0.73 0.00 4.33 0.41 -1.26 -4.97 118.70 114.63 2rq8 s GLU 27 Ca 0.00 -1.59 0.15 0.00 -0.41 0.00 0.00 54.97 53.12 2rq8 s GLU 27 Cb 0.00 -1.21 0.82 0.00 -1.78 0.00 0.00 34.13 31.96 2rq8 s GLU 27 CO 0.00 -1.29 1.38 -0.35 -0.49 0.00 0.00 175.26 174.51 2rq8 n PRO 28 N 3.50 0.32 0.00 0.39 -0.04 -1.26 -2.00 135.00 135.91 2rq8 n PRO 28 Ca 0.20 0.09 0.12 0.00 -0.04 0.00 0.00 63.50 63.87 2rq8 n PRO 28 Cb 0.44 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.67 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 -1.17 0.64 -4.52 3.54 -0.08 -1.26 -4.90 116.55 108.80 2rq8 n ASP 29 Ca 0.09 -0.42 -0.24 0.00 -1.51 0.00 0.00 54.79 52.70 2rq8 n ASP 29 Cb 0.09 0.24 -0.09 0.00 2.34 0.00 0.00 41.12 43.70 2rq8 n ASP 29 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2rq8 s VAL 30 N -2.88 2.76 0.16 5.18 1.01 -0.84 -5.15 120.40 120.63 2rq8 s VAL 30 Ca 0.14 -2.18 0.10 0.00 0.00 0.00 0.00 61.98 60.04 2rq8 s VAL 30 Cb 0.18 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 2rq8 s VAL 30 CO 0.66 -0.33 -0.22 -2.28 0.00 0.00 0.00 175.10 172.92 2rq8 s HIS 31 N -2.29 2.07 0.20 5.22 2.46 -1.26 -4.97 115.29 116.72 2rq8 s HIS 31 Ca 0.29 -0.40 0.00 0.00 0.47 0.00 0.00 55.06 55.42 2rq8 s HIS 31 Cb -0.06 -1.06 0.00 0.00 -0.13 0.00 0.00 32.58 31.33 2rq8 s HIS 31 CO 0.16 0.37 0.01 0.41 -2.47 0.00 0.00 174.74 173.22 2rq8 n GLY 32 N 0.53 3.86 3.08 1.59 0.00 -1.26 -3.59 105.19 109.40 2rq8 n GLY 32 Ca -0.15 -2.27 -0.12 0.00 0.00 0.00 0.00 46.02 43.48 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 -2.73 0.27 -0.21 1.61 0.74 0.88 -4.99 119.66 115.23 2rq8 s GLN 33 Ca 0.01 0.15 -0.09 0.00 0.05 0.00 0.00 55.36 55.48 2rq8 s GLN 33 Cb -0.00 0.13 -0.05 0.00 1.10 0.00 0.00 33.01 34.19 2rq8 s GLN 33 CO 0.01 -0.04 0.12 -1.58 -0.55 0.00 0.00 175.29 173.24 2rq8 s TRP 34 N -0.16 3.31 -0.02 1.67 0.52 -1.26 -0.52 118.94 122.48 2rq8 s TRP 34 Ca -0.03 0.17 0.07 0.00 0.02 0.00 0.00 56.10 56.33 2rq8 s TRP 34 Cb -0.02 -2.18 -0.02 0.00 -1.15 0.00 0.00 33.47 30.09 2rq8 s TRP 34 CO 0.01 0.13 -0.23 0.15 0.02 0.00 0.00 176.95 177.02 2rq8 s LYS 35 N 0.70 2.16 0.02 4.98 1.02 0.10 -3.79 119.74 124.92 2rq8 s LYS 35 Ca 0.06 -0.90 0.01 0.00 0.02 0.00 0.00 55.97 55.16 2rq8 s LYS 35 Cb -0.13 -2.11 -0.01 0.00 -0.52 0.00 0.00 37.83 35.06 2rq8 s LYS 35 CO 0.01 0.57 -0.05 -0.51 -0.92 0.00 0.00 175.35 174.45 2rq8 s LEU 36 N -0.73 2.13 0.41 3.17 2.01 -0.08 -2.74 118.68 122.85 2rq8 s LEU 36 Ca 0.11 -0.31 0.20 0.00 0.01 0.00 0.00 54.13 54.14 2rq8 s LEU 36 Cb -0.10 -0.12 1.15 0.00 0.01 0.00 0.00 46.19 47.13 2rq8 s LEU 36 CO -0.00 -0.11 1.76 0.50 1.01 0.00 0.00 176.35 179.51 2rq8 h LYS 37 N 5.27 0.34 0.07 1.70 3.64 -1.99 -2.02 116.57 123.58 2rq8 h LYS 37 Ca -0.31 -0.02 -0.27 0.00 -1.27 0.00 0.00 60.65 58.78 2rq8 h LYS 37 Cb 1.20 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.93 2rq8 h LYS 37 CO 0.45 0.22 -1.46 0.78 -2.27 0.00 0.00 179.45 177.18 2rq8 h GLY 38 N 0.35 0.16 -7.41 5.01 0.00 -1.98 -3.44 103.07 95.76 2rq8 h GLY 38 Ca 0.61 -0.42 -0.71 0.00 0.00 0.00 0.00 47.33 46.81 2rq8 h GLY 38 CO -0.30 0.37 -0.47 1.20 0.00 0.00 0.00 176.54 177.34 2rq8 s GLN 39 N -2.44 2.39 0.09 4.80 1.11 -0.76 -4.95 119.66 119.89 2rq8 s GLN 39 Ca -0.24 -1.66 -0.15 0.00 0.01 0.00 0.00 55.36 53.31 2rq8 s GLN 39 Cb 0.05 -3.76 -0.09 0.00 -1.01 0.00 0.00 33.01 28.20 2rq8 s GLN 39 CO 0.69 -1.07 1.41 -1.00 0.01 0.00 0.00 175.29 175.34 2rq8 h PRO 40 N 8.32 0.66 -6.63 2.91 0.13 -1.85 -0.17 132.00 135.37 2rq8 h PRO 40 Ca -0.20 -0.35 -0.51 0.00 -0.87 0.00 0.00 66.00 64.08 2rq8 h PRO 40 Cb 1.07 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.18 2rq8 h PRO 40 CO 0.77 0.95 0.22 -0.48 -0.23 0.00 0.00 178.00 179.23 2rq8 s LEU 41 N -9.00 4.51 0.56 1.56 0.05 -1.26 -4.59 118.68 110.51 2rq8 s LEU 41 Ca -0.13 1.68 -0.06 0.00 0.05 0.00 0.00 54.13 55.67 2rq8 s LEU 41 Cb 0.08 -3.52 -0.01 0.00 -2.05 0.00 0.00 46.19 40.69 2rq8 s LEU 41 CO 0.82 0.12 0.88 0.00 -0.55 0.00 0.00 176.35 177.62 2rq8 s ALA 42 N -1.30 3.30 -0.88 1.48 0.00 -1.25 -4.29 121.76 118.81 2rq8 s ALA 42 Ca 0.40 -0.54 -0.06 0.00 0.00 0.00 0.00 51.96 51.77 2rq8 s ALA 42 Cb -0.22 -2.67 0.01 0.00 0.00 0.00 0.00 23.12 20.24 2rq8 s ALA 42 CO 0.26 -0.63 0.75 0.00 0.00 0.00 0.00 175.76 176.15 2rq8 n ALA 43 N -2.49 -0.84 -0.79 0.00 0.00 -1.26 -4.99 120.51 110.14 2rq8 n ALA 43 Ca 0.03 0.26 -0.30 0.00 0.00 0.00 0.00 53.44 53.43 2rq8 n ALA 43 Cb 0.56 -3.72 0.17 0.00 0.00 0.00 0.00 19.45 16.46 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 -3.19 2.81 0.00 0.00 0.01 -1.26 -4.88 113.70 107.18 2rq8 s SER 44 Ca 0.37 1.96 0.14 0.00 1.31 0.00 0.00 55.95 59.74 2rq8 s SER 44 Cb -0.16 -2.48 0.69 0.00 0.21 0.00 0.00 66.02 64.27 2rq8 s SER 44 CO 0.46 -3.13 1.43 -0.81 0.41 0.00 0.00 173.24 171.60 2rq8 n PRO 45 N -4.24 0.12 -0.00 12.44 -0.04 -1.26 -2.32 135.00 139.70 2rq8 n PRO 45 Ca 0.09 0.19 0.05 0.00 -0.04 0.00 0.00 63.50 63.80 2rq8 n PRO 45 Cb 0.53 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.41 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 -1.38 2.35 -4.87 3.54 2.03 -1.26 -5.02 116.55 111.95 2rq8 n ASP 46 Ca 0.05 -0.10 -0.21 0.00 0.52 0.00 0.00 54.79 55.05 2rq8 n ASP 46 Cb 0.14 1.40 -0.03 0.00 -0.72 0.00 0.00 41.12 41.91 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 -4.02 1.00 -0.32 0.00 0.41 -1.15 -4.42 118.70 110.21 2rq8 s GLU 48 Ca 0.42 -0.12 0.00 0.00 -0.41 0.00 0.00 54.97 54.86 2rq8 s GLU 48 Cb -0.06 -1.07 0.07 0.00 -1.78 0.00 0.00 34.13 31.29 2rq8 s GLU 48 CO 0.27 -0.16 0.02 0.42 -0.49 0.00 0.00 175.26 175.32 2rq8 s ILE 49 N 1.29 2.73 -0.19 -1.63 1.01 -1.26 -2.10 121.20 121.05 2rq8 s ILE 49 Ca -0.05 -1.73 -0.02 0.00 0.00 0.00 0.00 60.65 58.85 2rq8 s ILE 49 Cb -0.14 -2.71 -0.00 0.00 0.01 0.00 0.00 42.46 39.62 2rq8 s ILE 49 CO -0.02 -0.28 -0.10 -0.63 0.00 0.00 0.00 174.94 173.91 2rq8 s ILE 50 N 1.13 3.00 -0.48 2.92 -1.09 -0.86 -4.97 121.20 120.86 2rq8 s ILE 50 Ca -0.01 -0.63 -0.11 0.00 -2.23 0.00 0.00 60.65 57.67 2rq8 s ILE 50 Cb -0.20 -2.33 0.11 0.00 -1.58 0.00 0.00 42.46 38.46 2rq8 s ILE 50 CO -0.04 0.47 0.37 -0.70 -1.23 0.00 0.00 174.94 173.81 2rq8 s GLU 51 N 1.22 2.65 -0.54 2.79 -6.30 -1.26 -1.55 118.70 115.71 2rq8 s GLU 51 Ca 0.02 -1.67 -0.16 0.00 -2.50 0.00 0.00 54.97 50.66 2rq8 s GLU 51 Cb -0.14 -4.01 0.13 0.00 0.00 0.00 0.00 34.13 30.11 2rq8 s GLU 51 CO -0.04 -1.18 0.51 0.34 0.02 0.00 0.00 175.26 174.92 2rq8 s ASP 52 N 2.80 6.20 0.07 -1.70 2.15 -0.60 -4.88 116.67 120.70 2rq8 s ASP 52 Ca 0.05 -1.79 0.00 0.00 0.43 0.00 0.00 52.55 51.24 2rq8 s ASP 52 Cb -0.26 -2.21 0.00 0.00 -0.30 0.00 0.00 42.92 40.14 2rq8 s ASP 52 CO 0.01 -0.87 0.00 0.61 -0.17 0.00 0.00 175.17 174.75 2rq8 n GLY 53 N 5.24 1.88 0.00 2.66 0.00 -1.26 -2.49 105.19 111.22 2rq8 n GLY 53 Ca -0.14 0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 0.67 -4.06 1.61 0.00 -1.26 -4.44 118.16 110.67 2rq8 n LYS 54 Ca 0.00 -0.73 -0.30 0.00 -0.00 0.00 0.00 58.31 57.29 2rq8 n LYS 54 Cb 0.00 -0.81 -0.06 0.00 -0.00 0.00 0.00 35.03 34.16 2rq8 n LYS 54 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.40 175.81 2rq8 s LYS 55 N -0.32 2.85 -0.11 -1.58 -2.85 -1.04 -3.44 119.74 113.25 2rq8 s LYS 55 Ca 0.00 -0.73 -0.00 0.00 -1.00 0.00 0.00 55.97 54.23 2rq8 s LYS 55 Cb 0.00 -2.70 0.02 0.00 -2.06 0.00 0.00 37.83 33.10 2rq8 s LYS 55 CO 0.00 0.55 -0.07 -1.01 0.10 0.00 0.00 175.35 174.92 2rq8 s HIS 56 N -1.44 1.41 -0.12 1.78 3.76 -1.22 -1.55 115.29 117.91 2rq8 s HIS 56 Ca 0.29 -0.68 -0.03 0.00 -0.15 0.00 0.00 55.06 54.49 2rq8 s HIS 56 Cb -0.12 -1.19 -0.03 0.00 1.11 0.00 0.00 32.58 32.35 2rq8 s HIS 56 CO 0.22 -0.50 -0.00 -1.50 -0.85 0.00 0.00 174.74 172.11 2rq8 s ILE 57 N 1.73 4.27 -0.13 0.60 1.10 -0.60 -3.55 121.20 124.63 2rq8 s ILE 57 Ca 0.05 -0.25 -0.00 0.00 -0.51 0.00 0.00 60.65 59.94 2rq8 s ILE 57 Cb -0.13 -2.83 0.03 0.00 0.15 0.00 0.00 42.46 39.68 2rq8 s ILE 57 CO -0.08 0.56 -0.08 -0.22 -2.11 0.00 0.00 174.94 173.01 2rq8 s LEU 58 N -0.40 1.33 -0.32 8.50 1.98 -0.77 -2.04 118.68 126.96 2rq8 s LEU 58 Ca 0.08 -0.40 -0.11 0.00 -2.89 0.00 0.00 54.13 50.81 2rq8 s LEU 58 Cb -0.12 -0.89 -0.01 0.00 0.66 0.00 0.00 46.19 45.82 2rq8 s LEU 58 CO 0.02 -0.13 0.19 -0.63 -1.89 0.00 0.00 176.35 173.91 2rq8 s ILE 59 N 1.67 4.88 -0.29 6.68 1.01 -0.89 -2.68 121.20 131.57 2rq8 s ILE 59 Ca 0.04 -0.33 -0.03 0.00 0.00 0.00 0.00 60.65 60.33 2rq8 s ILE 59 Cb -0.13 -3.49 0.04 0.00 0.01 0.00 0.00 42.46 38.88 2rq8 s ILE 59 CO -0.08 0.04 0.00 -0.22 0.00 0.00 0.00 174.94 174.68 2rq8 s LEU 60 N 1.66 3.75 0.34 2.97 1.98 -0.62 -2.91 118.68 125.84 2rq8 s LEU 60 Ca 0.05 -1.10 -0.27 0.00 -2.89 0.00 0.00 54.13 49.92 2rq8 s LEU 60 Cb -0.17 -1.73 -0.09 0.00 0.66 0.00 0.00 46.19 44.85 2rq8 s LEU 60 CO 0.08 -0.23 1.12 -1.00 -1.89 0.00 0.00 176.35 174.44 2rq8 s HIS 61 N 1.31 3.34 -0.20 5.38 3.76 -1.26 -1.46 115.29 126.15 2rq8 s HIS 61 Ca -0.03 1.63 -0.05 0.00 -0.15 0.00 0.00 55.06 56.46 2rq8 s HIS 61 Cb -0.19 -3.31 0.02 0.00 1.11 0.00 0.00 32.58 30.22 2rq8 s HIS 61 CO -0.01 -0.86 0.11 0.09 -0.85 0.00 0.00 174.74 173.21 2rq8 n ASN 62 N 0.59 -3.65 -2.00 1.40 3.02 -0.19 -4.87 115.26 109.58 2rq8 n ASN 62 Ca 0.02 1.15 -0.21 0.00 -0.03 0.00 0.00 54.58 55.50 2rq8 n ASN 62 Cb 0.46 -4.55 0.06 0.00 -0.61 0.00 0.00 39.78 35.14 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 -2.36 3.14 0.00 0.00 -0.21 -1.26 -3.99 119.66 114.98 2rq8 s GLN 64 Ca 0.40 -0.28 0.09 0.00 0.02 0.00 0.00 55.36 55.59 2rq8 s GLN 64 Cb 0.32 -4.50 0.15 0.00 1.00 0.00 0.00 33.01 29.98 2rq8 s GLN 64 CO -0.00 -2.33 0.98 1.28 -2.12 0.00 0.00 175.29 173.10 2rq8 n LEU 65 N 10.09 0.05 0.00 2.90 4.77 -1.26 -5.02 117.00 128.53 2rq8 n LEU 65 Ca 0.14 -1.65 0.00 0.00 -0.03 0.00 0.00 56.01 54.46 2rq8 n LEU 65 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 2rq8 n LEU 65 CO 0.69 0.83 0.00 0.61 -1.33 0.00 0.00 177.39 178.20 2rq8 n GLY 66 N 0.18 -1.79 0.33 -0.72 0.00 -1.26 -4.28 105.19 97.64 2rq8 n GLY 66 Ca -0.06 -1.89 0.18 0.00 0.00 0.00 0.00 46.02 44.24 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 0.00 0.00 -3.18 1.61 1.85 -1.97 -3.44 114.93 109.80 2rq8 h MET 67 Ca 0.00 0.00 0.02 0.00 -0.61 0.00 0.00 59.70 59.11 2rq8 h MET 67 Cb 0.00 0.00 -0.07 0.00 0.43 0.00 0.00 31.60 31.96 2rq8 h MET 67 CO 0.00 0.00 0.13 0.95 -0.40 0.00 0.00 176.91 177.59 2rq8 s THR 68 N -4.46 0.00 0.04 -0.77 -4.23 -1.26 -3.28 115.64 101.69 2rq8 s THR 68 Ca -0.05 -0.96 -0.01 0.00 -1.18 0.00 0.00 61.69 59.49 2rq8 s THR 68 Cb 0.14 -1.88 -0.03 0.00 1.34 0.00 0.00 72.50 72.06 2rq8 s THR 68 CO 0.48 -0.02 -0.02 -0.83 -0.54 0.00 0.00 174.62 173.69 2rq8 s GLY 69 N -2.92 0.38 -0.27 3.99 0.00 -0.83 -4.75 107.32 102.93 2rq8 s GLY 69 Ca 0.12 -0.98 -0.05 0.00 0.00 0.00 0.00 44.72 43.81 2rq8 s GLY 69 CO 0.04 -1.09 0.02 1.85 0.00 0.00 0.00 173.10 173.93 2rq8 s GLU 70 N -3.17 3.16 -0.28 2.90 2.12 -1.26 -0.09 118.70 122.08 2rq8 s GLU 70 Ca -0.00 -0.79 -0.14 0.00 0.36 0.00 0.00 54.97 54.40 2rq8 s GLU 70 Cb 0.02 -3.21 -0.04 0.00 0.26 0.00 0.00 34.13 31.16 2rq8 s GLU 70 CO -0.07 -0.36 0.32 0.08 -0.54 0.00 0.00 175.26 174.69 2rq8 s VAL 71 N 1.47 5.22 -0.20 3.70 1.01 -1.00 -4.69 120.40 125.92 2rq8 s VAL 71 Ca 0.03 0.40 -0.06 0.00 0.00 0.00 0.00 61.98 62.35 2rq8 s VAL 71 Cb -0.16 -3.66 -0.03 0.00 0.00 0.00 0.00 36.38 32.53 2rq8 s VAL 71 CO -0.00 0.16 0.04 -0.44 0.00 0.00 0.00 175.10 174.86 2rq8 s SER 72 N 1.69 5.19 -0.04 3.32 0.01 -1.11 -2.10 113.70 120.66 2rq8 s SER 72 Ca 0.12 -0.09 0.01 0.00 1.31 0.00 0.00 55.95 57.30 2rq8 s SER 72 Cb -0.16 -1.89 0.02 0.00 0.21 0.00 0.00 66.02 64.20 2rq8 s SER 72 CO 0.10 0.09 -0.04 0.12 0.41 0.00 0.00 173.24 173.93 2rq8 s PHE 73 N 0.84 0.70 -0.25 2.43 5.36 0.74 0.01 117.98 127.80 2rq8 s PHE 73 Ca 0.02 -0.18 -0.08 0.00 -0.96 0.00 0.00 56.93 55.73 2rq8 s PHE 73 Cb -0.14 -0.63 -0.03 0.00 -0.34 0.00 0.00 43.02 41.88 2rq8 s PHE 73 CO 0.02 -0.18 0.08 -1.14 -1.46 0.00 0.00 175.22 172.55 2rq8 s GLN 74 N 0.90 3.71 -0.47 10.12 0.74 0.32 -1.91 119.66 133.07 2rq8 s GLN 74 Ca -0.11 -0.45 0.01 0.00 0.05 0.00 0.00 55.36 54.86 2rq8 s GLN 74 Cb -0.14 -3.36 0.13 0.00 1.10 0.00 0.00 33.01 30.73 2rq8 s GLN 74 CO 0.00 -0.15 0.24 0.00 -0.55 0.00 0.00 175.29 174.82 2rq8 s ALA 75 N 1.54 3.24 -0.66 1.58 0.00 -1.13 -0.08 121.76 126.25 2rq8 s ALA 75 Ca 0.06 -2.92 -0.05 0.00 0.00 0.00 0.00 51.96 49.04 2rq8 s ALA 75 Cb -0.15 -2.29 0.01 0.00 0.00 0.00 0.00 23.12 20.69 2rq8 s ALA 75 CO 0.04 -1.91 0.67 0.00 0.00 0.00 0.00 175.76 174.56 2rq8 n ALA 76 N 3.81 -2.65 -4.06 0.00 0.00 -1.24 -3.03 120.51 113.34 2rq8 n ALA 76 Ca 0.04 0.30 -0.33 0.00 0.00 0.00 0.00 53.44 53.44 2rq8 n ALA 76 Cb 0.38 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 17.77 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 -1.41 -3.99 -4.22 0.00 4.13 -1.26 -4.93 115.26 103.57 2rq8 n ASN 77 Ca 0.01 -0.90 -0.26 0.00 1.68 0.00 0.00 54.58 55.11 2rq8 n ASN 77 Cb 0.51 -3.33 -0.15 0.00 -1.54 0.00 0.00 39.78 35.27 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 -3.31 1.59 -0.30 3.41 2.01 -1.17 -5.09 115.64 112.78 2rq8 s THR 78 Ca 0.69 -1.04 -0.16 0.00 0.31 0.00 0.00 61.69 61.48 2rq8 s THR 78 Cb -0.36 -1.36 -0.02 0.00 0.01 0.00 0.00 72.50 70.77 2rq8 s THR 78 CO 0.88 0.29 0.43 -0.54 -0.69 0.00 0.00 174.62 174.99 2rq8 s LYS 79 N -0.88 3.86 -0.10 4.92 3.01 -1.26 -2.84 119.74 126.44 2rq8 s LYS 79 Ca 0.07 -0.03 -0.01 0.00 -1.01 0.00 0.00 55.97 54.99 2rq8 s LYS 79 Cb -0.08 -3.72 0.03 0.00 -1.01 0.00 0.00 37.83 33.05 2rq8 s LYS 79 CO 0.01 -0.42 -0.03 -1.12 0.51 0.00 0.00 175.35 174.29 2rq8 s SER 80 N 1.67 2.00 -0.05 2.83 0.01 -0.80 -5.01 113.70 114.35 2rq8 s SER 80 Ca 0.17 -0.26 -0.00 0.00 1.31 0.00 0.00 55.95 57.17 2rq8 s SER 80 Cb -0.16 -0.66 0.03 0.00 0.21 0.00 0.00 66.02 65.44 2rq8 s SER 80 CO 0.11 -0.17 -0.01 0.00 0.41 0.00 0.00 173.24 173.59 2rq8 s ALA 81 N 1.83 0.51 0.25 1.44 0.00 -1.26 -0.19 121.76 124.34 2rq8 s ALA 81 Ca 0.04 0.03 0.10 0.00 0.00 0.00 0.00 51.96 52.13 2rq8 s ALA 81 Cb -0.13 -0.48 -0.05 0.00 0.00 0.00 0.00 23.12 22.46 2rq8 s ALA 81 CO -0.07 -0.19 -0.18 0.00 0.00 0.00 0.00 175.76 175.33 2rq8 s ALA 82 N 1.32 2.44 0.10 0.00 0.00 -0.89 -5.00 121.76 119.73 2rq8 s ALA 82 Ca -0.05 -1.78 -0.19 0.00 0.00 0.00 0.00 51.96 49.93 2rq8 s ALA 82 Cb -0.13 -0.19 -0.07 0.00 0.00 0.00 0.00 23.12 22.73 2rq8 s ALA 82 CO -0.02 0.19 0.60 -0.80 0.00 0.00 0.00 175.76 175.73 2rq8 s ASN 83 N -3.42 7.08 -0.18 0.00 0.01 -1.26 -2.36 114.94 114.80 2rq8 s ASN 83 Ca 0.27 1.30 -0.03 0.00 -0.71 0.00 0.00 52.86 53.68 2rq8 s ASN 83 Cb -0.03 -2.37 -0.02 0.00 0.41 0.00 0.00 41.25 39.24 2rq8 s ASN 83 CO 0.12 0.23 -0.06 -0.22 -1.51 0.00 0.00 177.10 175.66 2rq8 s LEU 84 N -1.26 2.94 -0.36 0.60 1.98 0.88 -3.13 118.68 120.33 2rq8 s LEU 84 Ca 0.32 -0.31 -0.13 0.00 -2.89 0.00 0.00 54.13 51.12 2rq8 s LEU 84 Cb -0.19 -1.72 -0.00 0.00 0.66 0.00 0.00 46.19 44.94 2rq8 s LEU 84 CO 0.20 0.08 0.24 -0.75 -1.89 0.00 0.00 176.35 174.23 2rq8 s LYS 85 N 0.89 3.31 -0.06 1.98 2.20 -1.04 -1.96 119.74 125.06 2rq8 s LYS 85 Ca -0.01 -0.77 -0.25 0.00 -0.36 0.00 0.00 55.97 54.58 2rq8 s LYS 85 Cb -0.15 -3.82 -0.03 0.00 -1.51 0.00 0.00 37.83 32.32 2rq8 s LYS 85 CO 0.01 -0.53 0.77 0.08 -0.36 0.00 0.00 175.35 175.32 2rq8 s VAL 86 N 1.69 5.00 0.26 4.02 1.01 -1.20 -1.99 120.40 129.18 2rq8 s VAL 86 Ca 0.05 1.60 0.05 0.00 0.00 0.00 0.00 61.98 63.69 2rq8 s VAL 86 Cb -0.18 -4.11 -0.03 0.00 0.00 0.00 0.00 36.38 32.07 2rq8 s VAL 86 CO 0.10 0.22 0.38 -0.75 0.00 0.00 0.00 175.10 175.05 2rq8 s LYS 87 N 0.92 3.36 -0.07 2.72 2.36 0.89 -4.85 119.74 125.06 2rq8 s LYS 87 Ca 0.41 -0.82 0.01 0.00 -2.55 0.00 0.00 55.97 53.02 2rq8 s LYS 87 Cb -0.18 -2.87 -0.03 0.00 -1.05 0.00 0.00 37.83 33.70 2rq8 s LYS 87 CO 0.20 0.34 -0.10 -1.83 1.55 0.00 0.00 175.35 175.52 2rq8 s GLU 88 N -4.02 2.76 -0.67 4.03 1.03 -1.26 -0.48 118.70 120.08 2rq8 s GLU 88 Ca 0.37 -0.61 -0.26 0.00 0.03 0.00 0.00 54.97 54.50 2rq8 s GLU 88 Cb -0.09 -2.54 -0.03 0.00 -0.80 0.00 0.00 34.13 30.67 2rq8 s GLU 88 CO 0.29 0.59 1.94 -0.51 -1.33 0.00 0.00 175.26 176.24 2rq8 s LEU 89 N -0.63 3.26 0.14 1.83 1.02 -1.26 -4.93 118.68 118.11 2rq8 s LEU 89 Ca 0.09 0.15 -0.33 0.00 0.02 0.00 0.00 54.13 54.06 2rq8 s LEU 89 Cb -0.11 -2.53 -0.13 0.00 0.02 0.00 0.00 46.19 43.43 2rq8 s LEU 89 CO 0.01 -2.54 1.65 0.18 0.02 0.00 0.00 176.35 175.68 2rq8 n LEU 90 N 13.42 3.33 -0.08 1.79 4.32 -1.26 -4.92 117.00 133.60 2rq8 n LEU 90 Ca 0.27 1.06 -0.12 0.00 -0.02 0.00 0.00 56.01 57.20 2rq8 n LEU 90 Cb 0.51 -1.45 -0.06 0.00 -1.62 0.00 0.00 43.42 40.80 2rq8 n LEU 90 CO 0.68 -0.16 -0.37 -0.33 -1.22 0.00 0.00 177.39 175.99 2rq8 h GLU 91 N 6.58 0.00 -7.27 3.23 5.08 -2.03 -3.45 114.58 116.72 2rq8 h GLU 91 Ca -0.45 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.39 2rq8 h GLU 91 Cb 1.25 0.00 0.16 0.00 0.50 0.00 0.00 28.75 30.65 2rq8 h GLU 91 CO 0.91 0.47 0.30 -1.58 -1.00 0.00 0.00 179.01 178.11 2rq8 s HIS 92 N -2.25 2.17 -1.84 4.33 2.46 -1.26 -3.15 115.29 115.74 2rq8 s HIS 92 Ca -0.20 1.65 0.00 0.00 0.47 0.00 0.00 55.06 56.98 2rq8 s HIS 92 Cb 0.03 -3.22 0.00 0.00 -0.13 0.00 0.00 32.58 29.26 2rq8 s HIS 92 CO 0.38 -2.26 0.00 1.58 -2.47 0.00 0.00 174.74 171.98 2rq8 n HIS 93 N -3.56 -0.90 -0.26 3.88 -0.00 -1.26 -4.96 115.22 108.16 2rq8 n HIS 93 Ca 0.11 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.53 2rq8 n HIS 93 Cb 0.52 -3.94 0.29 0.00 -0.00 0.00 0.00 29.99 26.86 2rq8 n HIS 93 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2rq8 n HIS 94 N -3.84 -3.52 -5.21 1.57 -0.00 -1.19 -5.03 115.22 97.99 2rq8 n HIS 94 Ca -0.25 -0.71 -0.30 0.00 -0.00 0.00 0.00 57.72 56.46 2rq8 n HIS 94 Cb 0.69 -1.37 -0.16 0.00 -0.00 0.00 0.00 29.99 29.15 2rq8 n HIS 94 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2rq8 s HIS 95 N -2.13 2.24 -0.18 -1.40 2.46 -1.26 -5.12 115.29 109.90 2rq8 s HIS 95 Ca 0.66 -0.52 -0.29 0.00 0.47 0.00 0.00 55.06 55.37 2rq8 s HIS 95 Cb -0.13 -1.46 0.13 0.00 -0.13 0.00 0.00 32.58 30.99 2rq8 s HIS 95 CO 0.56 -0.11 1.01 -1.58 -2.47 0.00 0.00 174.74 172.15 2rq8 s HIS 96 N -0.40 -0.38 -2.43 3.88 5.04 -1.26 -5.27 115.29 114.48 2rq8 s HIS 96 Ca 0.04 0.69 0.19 0.00 -1.54 0.00 0.00 55.06 54.44 2rq8 s HIS 96 Cb -0.11 0.44 0.15 0.00 0.04 0.00 0.00 32.58 33.10 2rq8 s HIS 96 CO 0.01 -0.32 1.12 -2.39 -2.34 0.00 0.00 174.74 170.81