#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 3.81 -0.18 3.17 2.96 -1.26 -5.00 118.68 122.18 2rq8 s LEU 1 Ca 0.00 1.13 0.01 0.00 -0.22 0.00 0.00 54.13 55.04 2rq8 s LEU 1 Cb 0.00 -3.54 0.01 0.00 0.50 0.00 0.00 46.19 43.16 2rq8 s LEU 1 CO 0.00 -1.17 -0.18 -0.63 -1.32 0.00 0.00 176.35 173.05 2rq8 s ILE 2 N 4.67 2.28 -0.05 6.68 -1.09 -1.26 -5.09 121.20 127.33 2rq8 s ILE 2 Ca 0.58 -0.88 0.01 0.00 -2.23 0.00 0.00 60.65 58.13 2rq8 s ILE 2 Cb -0.16 -1.96 0.02 0.00 -1.58 0.00 0.00 42.46 38.78 2rq8 s ILE 2 CO 0.26 0.53 -0.05 -1.61 -1.23 0.00 0.00 174.94 172.83 2rq8 s GLU 3 N 1.18 1.00 0.05 2.79 2.02 -1.26 -5.08 118.70 119.40 2rq8 s GLU 3 Ca 0.02 -0.14 -0.30 0.00 0.02 0.00 0.00 54.97 54.56 2rq8 s GLU 3 Cb -0.14 -0.99 -0.08 0.00 0.10 0.00 0.00 34.13 33.01 2rq8 s GLU 3 CO -0.09 -0.10 1.78 0.08 0.02 0.00 0.00 175.26 176.95 2rq8 s VAL 4 N 1.03 3.02 0.06 2.63 1.01 -1.26 -4.54 120.40 122.35 2rq8 s VAL 4 Ca -0.09 0.31 -0.08 0.00 0.00 0.00 0.00 61.98 62.11 2rq8 s VAL 4 Cb -0.14 -3.20 -0.31 0.00 0.00 0.00 0.00 36.38 32.73 2rq8 s VAL 4 CO -0.00 -0.01 1.08 -0.08 0.00 0.00 0.00 175.10 176.08 2rq8 h GLU 5 N 9.20 0.37 -2.45 2.72 4.57 -0.68 -3.41 114.58 124.90 2rq8 h GLU 5 Ca -0.45 -0.63 -0.59 0.00 -1.18 0.00 0.00 59.36 56.51 2rq8 h GLU 5 Cb 1.21 0.23 -0.38 0.00 -0.16 0.00 0.00 28.75 29.65 2rq8 h GLU 5 CO 0.94 1.30 -0.93 0.21 -1.18 0.00 0.00 179.01 179.35 2rq8 s LYS 6 N -2.63 1.00 1.25 1.92 2.47 -1.10 -4.88 119.74 117.77 2rq8 s LYS 6 Ca -0.06 -2.14 -0.21 0.00 -1.56 0.00 0.00 55.97 52.00 2rq8 s LYS 6 Cb 0.06 -1.58 0.31 0.00 -1.46 0.00 0.00 37.83 35.16 2rq8 s LYS 6 CO 0.91 -1.36 1.11 -0.35 0.16 0.00 0.00 175.35 175.81 2rq8 n PRO 7 N 2.88 -3.18 -3.62 4.03 -0.04 -1.26 -2.28 135.00 131.54 2rq8 n PRO 7 Ca 0.27 -1.77 -0.38 0.00 -0.04 0.00 0.00 63.50 61.58 2rq8 n PRO 7 Cb 0.46 -1.66 -0.07 0.00 -0.04 0.00 0.00 33.50 32.19 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 5.61 0.00 1.53 1.43 -1.26 -4.89 118.68 121.10 2rq8 s LEU 8 Ca 0.72 -3.24 0.14 0.00 -1.03 0.00 0.00 54.13 50.72 2rq8 s LEU 8 Cb -0.07 -1.94 0.68 0.00 0.03 0.00 0.00 46.19 44.89 2rq8 s LEU 8 CO 0.55 -0.31 1.43 -0.81 0.23 0.00 0.00 176.35 177.44 2rq8 n PRO 9 N 3.01 0.11 0.00 1.29 -0.04 -1.26 -4.39 135.00 133.72 2rq8 n PRO 9 Ca 0.15 0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.81 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 1.38 3.55 0.55 0.00 -1.26 -4.79 105.19 104.58 2rq8 n GLY 10 Ca 0.05 0.49 -0.31 0.00 0.00 0.00 0.00 46.02 46.25 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 3.32 -0.03 1.61 1.01 -0.97 -5.03 120.40 120.30 2rq8 s VAL 11 Ca 0.00 -1.05 0.05 0.00 0.00 0.00 0.00 61.98 60.98 2rq8 s VAL 11 Cb 0.00 -2.47 -0.01 0.00 0.00 0.00 0.00 36.38 33.90 2rq8 s VAL 11 CO 0.00 0.29 -0.20 -1.61 0.00 0.00 0.00 175.10 173.58 2rq8 s GLU 12 N -1.68 1.83 0.14 2.72 8.01 -1.26 -0.48 118.70 127.98 2rq8 s GLU 12 Ca 0.18 -0.71 -0.12 0.00 0.01 0.00 0.00 54.97 54.33 2rq8 s GLU 12 Cb -0.11 -1.66 0.01 0.00 -4.31 0.00 0.00 34.13 28.06 2rq8 s GLU 12 CO 0.09 0.35 0.33 0.14 0.01 0.00 0.00 175.26 176.18 2rq8 s VAL 13 N -0.23 0.08 0.84 2.63 -7.23 -0.88 -4.88 120.40 110.72 2rq8 s VAL 13 Ca 0.02 -1.07 -0.12 0.00 -1.81 0.00 0.00 61.98 59.00 2rq8 s VAL 13 Cb -0.10 -1.54 0.09 0.00 0.56 0.00 0.00 36.38 35.39 2rq8 s VAL 13 CO 0.01 -0.35 1.12 -0.36 -0.31 0.00 0.00 175.10 175.21 2rq8 s PHE 14 N -3.89 2.76 -0.26 2.82 0.08 -1.26 -1.30 117.98 116.92 2rq8 s PHE 14 Ca 0.10 0.98 -0.29 0.00 0.12 0.00 0.00 56.93 57.84 2rq8 s PHE 14 Cb 0.03 -3.27 0.01 0.00 -0.57 0.00 0.00 43.02 39.22 2rq8 s PHE 14 CO -0.05 -1.96 1.13 0.08 -0.10 0.00 0.00 175.22 174.31 2rq8 s VAL 15 N -3.27 4.47 -1.31 -0.44 1.01 -0.85 -3.88 120.40 116.14 2rq8 s VAL 15 Ca 0.62 1.74 -0.04 0.00 0.00 0.00 0.00 61.98 64.30 2rq8 s VAL 15 Cb -0.14 -4.28 -0.00 0.00 0.00 0.00 0.00 36.38 31.96 2rq8 s VAL 15 CO 0.53 -0.33 0.61 0.61 0.00 0.00 0.00 175.10 176.52 2rq8 n GLY 16 N 3.72 -0.41 0.00 4.51 0.00 -1.25 -4.87 105.19 106.88 2rq8 n GLY 16 Ca 0.13 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.35 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 -4.28 0.00 -4.25 1.61 -0.58 -1.25 -4.75 120.64 107.13 2rq8 n GLU 17 Ca -0.26 0.00 -0.19 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 31.41 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 0.99 1.05 -0.26 2.62 2.01 -1.25 -3.85 115.64 116.95 2rq8 s THR 18 Ca 0.00 -1.10 -0.00 0.00 0.31 0.00 0.00 61.69 60.90 2rq8 s THR 18 Cb 0.00 -0.98 0.08 0.00 0.01 0.00 0.00 72.50 71.60 2rq8 s THR 18 CO 0.00 -0.11 0.02 0.00 -0.69 0.00 0.00 174.62 173.84 2rq8 s ALA 19 N -1.03 1.77 -0.25 7.40 0.00 0.13 -4.18 121.76 125.60 2rq8 s ALA 19 Ca -0.01 -1.45 -0.09 0.00 0.00 0.00 0.00 51.96 50.41 2rq8 s ALA 19 Cb -0.09 -1.50 -0.04 0.00 0.00 0.00 0.00 23.12 21.50 2rq8 s ALA 19 CO 0.02 -1.38 0.13 -1.01 0.00 0.00 0.00 175.76 173.52 2rq8 s HIS 20 N 1.49 3.18 -0.05 0.00 3.76 -1.26 -1.72 115.29 120.69 2rq8 s HIS 20 Ca 0.01 -0.08 0.04 0.00 -0.15 0.00 0.00 55.06 54.88 2rq8 s HIS 20 Cb -0.18 -2.28 -0.00 0.00 1.11 0.00 0.00 32.58 31.23 2rq8 s HIS 20 CO -0.12 -0.18 -0.17 -0.06 -0.85 0.00 0.00 174.74 173.37 2rq8 s PHE 21 N 1.47 1.71 -0.02 1.40 0.08 -1.13 -4.95 117.98 116.55 2rq8 s PHE 21 Ca 0.06 -0.52 -0.00 0.00 0.12 0.00 0.00 56.93 56.59 2rq8 s PHE 21 Cb -0.15 -1.17 0.02 0.00 -0.57 0.00 0.00 43.02 41.16 2rq8 s PHE 21 CO 0.06 -0.19 0.02 -1.83 -0.10 0.00 0.00 175.22 173.18 2rq8 s GLU 22 N 0.14 -0.03 0.20 0.44 -1.05 -1.26 -2.77 118.70 114.37 2rq8 s GLU 22 Ca -0.06 0.15 -0.06 0.00 -0.15 0.00 0.00 54.97 54.85 2rq8 s GLU 22 Cb -0.12 -0.20 -0.02 0.00 -0.44 0.00 0.00 34.13 33.35 2rq8 s GLU 22 CO 0.03 -0.13 0.25 0.96 0.95 0.00 0.00 175.26 177.31 2rq8 s ILE 23 N 0.85 0.02 0.04 1.83 -0.00 -1.25 -4.83 121.20 117.86 2rq8 s ILE 23 Ca -0.07 -1.71 0.08 0.00 -0.00 0.00 0.00 60.65 58.95 2rq8 s ILE 23 Cb -0.10 -2.24 -0.03 0.00 -0.00 0.00 0.00 42.46 40.09 2rq8 s ILE 23 CO -0.02 -0.11 -0.24 -1.61 -0.00 0.00 0.00 174.94 172.96 2rq8 s GLU 24 N -4.07 1.65 -0.00 0.37 2.02 -0.96 -3.58 118.70 114.12 2rq8 s GLU 24 Ca 0.29 -1.04 0.01 0.00 0.02 0.00 0.00 54.97 54.25 2rq8 s GLU 24 Cb 0.04 -1.80 -0.01 0.00 0.10 0.00 0.00 34.13 32.46 2rq8 s GLU 24 CO 0.08 0.46 0.04 1.28 0.02 0.00 0.00 175.26 177.14 2rq8 n LEU 25 N 1.83 0.03 -1.63 1.80 4.77 -1.23 -0.04 117.00 122.53 2rq8 n LEU 25 Ca -0.17 -0.32 -0.20 0.00 -0.03 0.00 0.00 56.01 55.30 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 0.01 -0.19 -1.54 -1.33 0.00 0.00 177.39 174.56 2rq8 n SER 26 N -1.21 -5.28 -3.23 -1.43 3.41 -1.26 -4.45 113.62 100.17 2rq8 n SER 26 Ca 0.00 0.46 -0.02 0.00 -0.26 0.00 0.00 58.87 59.06 2rq8 n SER 26 Cb 0.02 -4.66 -0.02 0.00 -0.26 0.00 0.00 64.21 59.29 2rq8 n SER 26 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2rq8 s GLU 27 N -3.78 0.74 0.00 4.33 2.56 -1.26 -5.00 118.70 116.29 2rq8 s GLU 27 Ca 0.00 -0.21 0.15 0.00 0.00 0.00 0.00 54.97 54.91 2rq8 s GLU 27 Cb 0.00 -0.02 0.72 0.00 2.00 0.00 0.00 34.13 36.83 2rq8 s GLU 27 CO 0.00 -1.16 1.41 -0.35 -0.56 0.00 0.00 175.26 174.60 2rq8 n PRO 28 N 4.59 0.17 -1.26 4.30 -0.04 -1.26 -3.56 135.00 137.93 2rq8 n PRO 28 Ca 0.10 0.16 -0.22 0.00 -0.04 0.00 0.00 63.50 63.50 2rq8 n PRO 28 Cb 0.54 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.47 2rq8 n PRO 28 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2rq8 n ASP 29 N -1.32 6.37 -1.83 3.54 8.00 -1.26 -4.87 116.55 125.18 2rq8 n ASP 29 Ca 0.06 -3.10 -0.06 0.00 0.71 0.00 0.00 54.79 52.41 2rq8 n ASP 29 Cb 0.13 -1.19 -0.01 0.00 -0.02 0.00 0.00 41.12 40.02 2rq8 n ASP 29 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 2rq8 n VAL 30 N 0.85 0.00 -4.19 2.53 0.24 -1.23 -5.15 118.33 111.37 2rq8 n VAL 30 Ca 0.42 -0.70 -0.17 0.00 -2.04 0.00 0.00 64.34 61.86 2rq8 n VAL 30 Cb 0.59 0.45 -0.11 0.00 -1.47 0.00 0.00 33.84 33.30 2rq8 n VAL 30 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 2rq8 s HIS 31 N -4.44 1.21 0.06 6.34 2.46 -1.26 -5.03 115.29 114.64 2rq8 s HIS 31 Ca 0.11 -0.55 0.03 0.00 0.47 0.00 0.00 55.06 55.12 2rq8 s HIS 31 Cb -0.01 -0.66 -0.03 0.00 -0.13 0.00 0.00 32.58 31.75 2rq8 s HIS 31 CO 0.08 0.06 -0.09 0.20 -2.47 0.00 0.00 174.74 172.53 2rq8 s GLY 32 N -2.18 0.66 -0.08 1.59 0.00 -1.26 -0.76 107.32 105.30 2rq8 s GLY 32 Ca 0.03 -0.97 -0.05 0.00 0.00 0.00 0.00 44.72 43.73 2rq8 s GLY 32 CO 0.02 -1.03 0.19 1.62 0.00 0.00 0.00 173.10 173.90 2rq8 s GLN 33 N -2.17 0.19 -0.29 2.90 0.74 0.34 -4.98 119.66 116.38 2rq8 s GLN 33 Ca -0.03 0.35 -0.10 0.00 0.05 0.00 0.00 55.36 55.63 2rq8 s GLN 33 Cb -0.06 -0.01 -0.03 0.00 1.10 0.00 0.00 33.01 34.01 2rq8 s GLN 33 CO -0.00 -0.09 0.17 -1.58 -0.55 0.00 0.00 175.29 173.24 2rq8 s TRP 34 N 0.60 3.19 -0.06 1.67 0.52 -1.26 -0.91 118.94 122.68 2rq8 s TRP 34 Ca -0.04 -0.19 0.02 0.00 0.02 0.00 0.00 56.10 55.91 2rq8 s TRP 34 Cb -0.06 -2.37 -0.03 0.00 -1.15 0.00 0.00 33.47 29.87 2rq8 s TRP 34 CO -0.03 -0.30 -0.12 0.15 0.02 0.00 0.00 176.95 176.67 2rq8 s LYS 35 N 1.70 2.66 -0.00 4.98 1.02 0.99 -3.43 119.74 127.65 2rq8 s LYS 35 Ca 0.06 -0.66 -0.02 0.00 0.02 0.00 0.00 55.97 55.38 2rq8 s LYS 35 Cb -0.16 -2.46 -0.00 0.00 -0.52 0.00 0.00 37.83 34.68 2rq8 s LYS 35 CO 0.09 0.59 0.03 -0.51 -0.92 0.00 0.00 175.35 174.63 2rq8 s LEU 36 N -0.64 1.92 0.65 3.17 2.01 -1.26 -2.53 118.68 122.01 2rq8 s LEU 36 Ca 0.09 -0.12 0.40 0.00 0.01 0.00 0.00 54.13 54.51 2rq8 s LEU 36 Cb -0.11 0.20 2.19 0.00 0.01 0.00 0.00 46.19 48.48 2rq8 s LEU 36 CO 0.01 -0.14 2.28 0.07 1.01 0.00 0.00 176.35 179.58 2rq8 h LYS 37 N 5.43 0.00 0.09 1.70 2.10 -1.98 -3.02 116.57 120.89 2rq8 h LYS 37 Ca -0.27 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.37 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 0.45 0.00 -0.04 0.78 -2.00 0.00 0.00 179.45 178.64 2rq8 h GLY 38 N 0.00 -0.13 -1.70 0.07 0.00 -1.97 -3.46 103.07 95.88 2rq8 h GLY 38 Ca 0.01 0.05 -0.49 0.00 0.00 0.00 0.00 47.33 46.90 2rq8 h GLY 38 CO -0.00 -0.05 0.35 1.20 0.00 0.00 0.00 176.54 178.05 2rq8 s GLN 39 N -1.86 3.79 0.00 4.80 -1.52 -1.14 -5.01 119.66 118.72 2rq8 s GLN 39 Ca -0.02 0.80 -0.24 0.00 -1.95 0.00 0.00 55.36 53.95 2rq8 s GLN 39 Cb 0.00 -2.15 -0.18 0.00 -0.22 0.00 0.00 33.01 30.46 2rq8 s GLN 39 CO 0.05 -0.35 1.30 -1.00 -0.25 0.00 0.00 175.29 175.04 2rq8 h PRO 40 N 0.48 0.15 0.00 2.91 0.13 -1.90 -3.39 132.00 130.38 2rq8 h PRO 40 Ca -0.46 -0.08 -0.28 0.00 -0.87 0.00 0.00 66.00 64.31 2rq8 h PRO 40 Cb 1.19 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.25 2rq8 h PRO 40 CO 0.62 0.60 -0.25 1.47 -0.23 0.00 0.00 178.00 180.21 2rq8 n LEU 41 N -4.72 0.00 -4.90 1.56 -0.00 -1.26 -4.90 117.00 102.77 2rq8 n LEU 41 Ca -0.07 -2.06 -0.28 0.00 -0.00 0.00 0.00 56.01 53.59 2rq8 n LEU 41 Cb 0.30 1.29 0.02 0.00 -0.00 0.00 0.00 43.42 45.03 2rq8 n LEU 41 CO 0.36 -0.38 0.56 0.00 -0.00 0.00 0.00 177.39 177.93 2rq8 s ALA 42 N -2.76 3.26 -0.93 1.47 0.00 -1.22 -4.25 121.76 117.32 2rq8 s ALA 42 Ca 0.25 -0.51 -0.04 0.00 0.00 0.00 0.00 51.96 51.66 2rq8 s ALA 42 Cb 0.01 -2.72 0.00 0.00 0.00 0.00 0.00 23.12 20.41 2rq8 s ALA 42 CO 0.17 -0.68 0.56 0.00 0.00 0.00 0.00 175.76 175.81 2rq8 n ALA 43 N -2.56 -0.71 -0.80 0.00 0.00 -1.26 -4.99 120.51 110.19 2rq8 n ALA 43 Ca 0.04 0.22 -0.30 0.00 0.00 0.00 0.00 53.44 53.39 2rq8 n ALA 43 Cb 0.56 -3.14 0.17 0.00 0.00 0.00 0.00 19.45 17.04 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 -2.99 2.88 0.00 0.00 0.01 -1.26 -4.88 113.70 107.46 2rq8 s SER 44 Ca 0.28 1.97 0.14 0.00 1.31 0.00 0.00 55.95 59.65 2rq8 s SER 44 Cb -0.12 -2.49 0.68 0.00 0.21 0.00 0.00 66.02 64.30 2rq8 s SER 44 CO 0.34 -3.09 1.43 -0.81 0.41 0.00 0.00 173.24 171.52 2rq8 n PRO 45 N -4.21 0.11 -0.00 12.44 -0.04 -1.26 -2.20 135.00 139.83 2rq8 n PRO 45 Ca 0.10 0.20 0.07 0.00 -0.04 0.00 0.00 63.50 63.82 2rq8 n PRO 45 Cb 0.53 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.39 2rq8 n PRO 45 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2rq8 n ASP 46 N -1.39 1.51 -4.74 3.54 8.00 -1.26 -5.01 116.55 117.20 2rq8 n ASP 46 Ca 0.05 -0.19 -0.24 0.00 0.71 0.00 0.00 54.79 55.12 2rq8 n ASP 46 Cb 0.14 1.49 -0.07 0.00 -0.02 0.00 0.00 41.12 42.67 2rq8 n ASP 46 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2rq8 s GLU 48 N -3.89 0.72 -0.32 0.00 0.41 -1.15 -4.40 118.70 110.07 2rq8 s GLU 48 Ca 0.40 -0.06 0.00 0.00 -0.41 0.00 0.00 54.97 54.90 2rq8 s GLU 48 Cb 0.01 -0.77 0.07 0.00 -1.78 0.00 0.00 34.13 31.65 2rq8 s GLU 48 CO 0.23 -0.10 0.02 0.42 -0.49 0.00 0.00 175.26 175.34 2rq8 s ILE 49 N 0.98 2.75 -0.13 -1.63 1.01 -1.26 -2.17 121.20 120.75 2rq8 s ILE 49 Ca -0.10 -1.73 -0.00 0.00 0.00 0.00 0.00 60.65 58.82 2rq8 s ILE 49 Cb -0.14 -2.72 -0.02 0.00 0.01 0.00 0.00 42.46 39.59 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 1.14 3.06 -0.43 2.92 -1.09 -0.80 -4.98 121.20 121.01 2rq8 s ILE 50 Ca -0.01 -0.66 -0.06 0.00 -2.23 0.00 0.00 60.65 57.69 2rq8 s ILE 50 Cb -0.20 -2.28 0.11 0.00 -1.58 0.00 0.00 42.46 38.50 2rq8 s ILE 50 CO -0.04 0.53 0.25 -1.83 -1.23 0.00 0.00 174.94 172.62 2rq8 s GLU 51 N 0.33 2.25 -0.45 2.79 -1.05 -1.26 -0.94 118.70 120.37 2rq8 s GLU 51 Ca -0.11 -1.74 -0.16 0.00 -0.15 0.00 0.00 54.97 52.82 2rq8 s GLU 51 Cb -0.16 -3.71 0.05 0.00 -0.44 0.00 0.00 34.13 29.88 2rq8 s GLU 51 CO 0.06 -1.08 0.38 0.34 0.95 0.00 0.00 175.26 175.90 2rq8 s ASP 52 N 2.13 6.14 0.23 0.83 2.15 -0.45 -4.88 116.67 122.82 2rq8 s ASP 52 Ca 0.06 -1.15 0.00 0.00 0.43 0.00 0.00 52.55 51.89 2rq8 s ASP 52 Cb -0.24 -2.18 0.00 0.00 -0.30 0.00 0.00 42.92 40.20 2rq8 s ASP 52 CO -0.02 -0.60 0.00 0.61 -0.17 0.00 0.00 175.17 174.99 2rq8 n GLY 53 N 5.19 1.47 0.00 2.66 0.00 -1.26 -2.14 105.19 111.11 2rq8 n GLY 53 Ca -0.11 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.12 -4.25 1.61 0.00 -1.26 -4.58 118.16 109.57 2rq8 n LYS 54 Ca 0.00 -0.44 -0.35 0.00 -0.00 0.00 0.00 58.31 57.52 2rq8 n LYS 54 Cb 0.00 -0.78 -0.09 0.00 -0.00 0.00 0.00 35.03 34.16 2rq8 n LYS 54 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 2rq8 s LYS 55 N -0.11 3.18 -0.21 -1.58 2.36 -0.91 -3.50 119.74 118.96 2rq8 s LYS 55 Ca 0.00 -0.35 -0.03 0.00 -2.55 0.00 0.00 55.97 53.04 2rq8 s LYS 55 Cb 0.00 -2.91 -0.00 0.00 -1.05 0.00 0.00 37.83 33.87 2rq8 s LYS 55 CO 0.00 0.67 -0.07 -1.01 1.55 0.00 0.00 175.35 176.49 2rq8 s HIS 56 N -0.77 2.93 -0.13 4.03 3.76 -1.23 -1.34 115.29 122.53 2rq8 s HIS 56 Ca 0.12 -1.04 -0.05 0.00 -0.15 0.00 0.00 55.06 53.95 2rq8 s HIS 56 Cb -0.12 -2.07 -0.04 0.00 1.11 0.00 0.00 32.58 31.47 2rq8 s HIS 56 CO 0.02 -0.58 0.04 -1.50 -0.85 0.00 0.00 174.74 171.88 2rq8 s ILE 57 N 1.42 4.63 -0.11 0.60 1.10 -0.12 -3.95 121.20 124.78 2rq8 s ILE 57 Ca 0.05 -0.11 -0.00 0.00 -0.51 0.00 0.00 60.65 60.08 2rq8 s ILE 57 Cb -0.14 -3.01 0.02 0.00 0.15 0.00 0.00 42.46 39.48 2rq8 s ILE 57 CO -0.05 0.55 -0.08 -0.22 -2.11 0.00 0.00 174.94 173.04 2rq8 s LEU 58 N -0.40 1.22 -0.24 8.50 1.98 -1.11 -1.91 118.68 126.72 2rq8 s LEU 58 Ca 0.09 -0.30 -0.08 0.00 -2.89 0.00 0.00 54.13 50.96 2rq8 s LEU 58 Cb -0.12 -0.83 -0.03 0.00 0.66 0.00 0.00 46.19 45.87 2rq8 s LEU 58 CO 0.02 -0.11 0.08 -0.63 -1.89 0.00 0.00 176.35 173.82 2rq8 s ILE 59 N 1.60 4.49 -0.15 6.68 1.01 -0.92 -2.84 121.20 131.08 2rq8 s ILE 59 Ca 0.03 -0.12 0.01 0.00 0.00 0.00 0.00 60.65 60.57 2rq8 s ILE 59 Cb -0.13 -3.09 -0.00 0.00 0.01 0.00 0.00 42.46 39.25 2rq8 s ILE 59 CO -0.07 0.36 -0.16 -0.22 0.00 0.00 0.00 174.94 174.84 2rq8 s LEU 60 N 1.37 2.43 -0.10 2.97 2.96 -0.70 -2.93 118.68 124.67 2rq8 s LEU 60 Ca 0.05 -0.48 0.08 0.00 -0.22 0.00 0.00 54.13 53.56 2rq8 s LEU 60 Cb -0.15 -1.55 0.42 0.00 0.50 0.00 0.00 46.19 45.42 2rq8 s LEU 60 CO 0.04 0.09 1.19 1.41 -1.32 0.00 0.00 176.35 177.76 2rq8 n HIS 61 N 4.02 0.99 -3.45 5.38 8.25 -1.26 0.19 115.22 129.35 2rq8 n HIS 61 Ca -0.19 -0.36 -0.23 0.00 -0.26 0.00 0.00 57.72 56.68 2rq8 n HIS 61 Cb 0.52 -0.25 -0.11 0.00 1.12 0.00 0.00 29.99 31.26 2rq8 n HIS 61 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 2rq8 s ASN 62 N -0.54 2.42 -0.12 0.41 -0.87 -1.25 -4.43 114.94 110.56 2rq8 s ASN 62 Ca 0.28 -1.30 0.15 0.00 -1.57 0.00 0.00 52.86 50.43 2rq8 s ASN 62 Cb 0.20 0.08 0.51 0.00 -0.02 0.00 0.00 41.25 42.03 2rq8 s ASN 62 CO 0.10 -0.37 1.42 0.00 -2.57 0.00 0.00 177.10 175.68 2rq8 n GLN 64 N 0.08 3.27 -2.41 0.00 10.64 -1.26 -3.96 117.38 123.74 2rq8 n GLN 64 Ca 0.19 -3.50 -0.21 0.00 -1.83 0.00 0.00 57.00 51.65 2rq8 n GLN 64 Cb 0.77 -3.31 0.02 0.00 -0.86 0.00 0.00 30.24 26.87 2rq8 n GLN 64 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.06 175.12 2rq8 n LEU 65 N 7.19 3.98 0.00 2.61 -0.00 -1.26 -4.97 117.00 124.56 2rq8 n LEU 65 Ca 0.44 -4.64 0.00 0.00 -0.00 0.00 0.00 56.01 51.81 2rq8 n LEU 65 Cb 0.44 -0.20 0.00 0.00 -0.00 0.00 0.00 43.42 43.66 2rq8 n LEU 65 CO 0.71 1.98 0.00 0.61 -0.00 0.00 0.00 177.39 180.70 2rq8 n GLY 66 N -0.50 -1.54 0.33 -3.96 0.00 -1.26 -3.72 105.19 94.54 2rq8 n GLY 66 Ca 0.33 -1.30 0.17 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.30 1.61 1.85 -1.98 -3.44 114.93 110.67 2rq8 h MET 67 Ca 0.00 0.00 -0.05 0.00 -0.61 0.00 0.00 59.70 59.04 2rq8 h MET 67 Cb 0.00 0.00 -0.17 0.00 0.43 0.00 0.00 31.60 31.86 2rq8 h MET 67 CO 0.00 0.00 0.20 0.95 -0.40 0.00 0.00 176.91 177.66 2rq8 s THR 68 N -4.57 0.00 0.13 -0.77 -4.23 -1.24 -3.51 115.64 101.44 2rq8 s THR 68 Ca -0.05 0.00 0.05 0.00 -1.18 0.00 0.00 61.69 60.51 2rq8 s THR 68 Cb 0.15 -1.00 -0.04 0.00 1.34 0.00 0.00 72.50 72.95 2rq8 s THR 68 CO 0.52 0.00 -0.12 -0.83 -0.54 0.00 0.00 174.62 173.66 2rq8 s GLY 69 N -1.68 1.03 -0.20 3.99 0.00 -1.11 -4.82 107.32 104.53 2rq8 s GLY 69 Ca -0.07 -1.35 -0.04 0.00 0.00 0.00 0.00 44.72 43.25 2rq8 s GLY 69 CO 0.03 -1.43 -0.02 1.85 0.00 0.00 0.00 173.10 173.52 2rq8 s GLU 70 N -3.14 3.53 -0.29 2.90 2.12 -1.26 -0.02 118.70 122.54 2rq8 s GLU 70 Ca 0.11 -0.56 -0.14 0.00 0.36 0.00 0.00 54.97 54.74 2rq8 s GLU 70 Cb -0.01 -3.01 -0.04 0.00 0.26 0.00 0.00 34.13 31.33 2rq8 s GLU 70 CO 0.01 -0.02 0.31 0.08 -0.54 0.00 0.00 175.26 175.11 2rq8 s VAL 71 N 1.05 5.22 -0.21 3.70 1.01 -0.72 -4.77 120.40 125.67 2rq8 s VAL 71 Ca 0.01 0.34 -0.07 0.00 0.00 0.00 0.00 61.98 62.26 2rq8 s VAL 71 Cb -0.14 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 2rq8 s VAL 71 CO 0.01 0.14 0.07 -0.94 0.00 0.00 0.00 175.10 174.38 2rq8 s SER 72 N 1.69 5.47 -0.01 3.32 1.04 -1.05 -2.04 113.70 122.12 2rq8 s SER 72 Ca 0.12 -0.02 0.01 0.00 0.48 0.00 0.00 55.95 56.53 2rq8 s SER 72 Cb -0.16 -1.96 0.01 0.00 0.10 0.00 0.00 66.02 64.01 2rq8 s SER 72 CO 0.11 0.09 -0.03 0.12 0.98 0.00 0.00 173.24 174.51 2rq8 s PHE 73 N 0.85 0.34 -0.14 5.02 5.36 0.55 -0.00 117.98 129.96 2rq8 s PHE 73 Ca 0.04 -0.05 0.01 0.00 -0.96 0.00 0.00 56.93 55.96 2rq8 s PHE 73 Cb -0.14 -0.29 0.02 0.00 -0.34 0.00 0.00 43.02 42.28 2rq8 s PHE 73 CO 0.02 -0.05 -0.15 -0.65 -1.46 0.00 0.00 175.22 172.94 2rq8 s GLN 74 N 0.26 2.37 -0.49 10.12 -0.21 -0.09 -1.01 119.66 130.61 2rq8 s GLN 74 Ca -0.02 -0.59 0.01 0.00 0.02 0.00 0.00 55.36 54.77 2rq8 s GLN 74 Cb -0.05 -2.12 0.13 0.00 1.00 0.00 0.00 33.01 31.97 2rq8 s GLN 74 CO -0.01 -0.20 0.25 0.00 -2.12 0.00 0.00 175.29 173.22 2rq8 s ALA 75 N 1.36 3.27 -0.50 6.09 0.00 -1.19 -0.51 121.76 130.28 2rq8 s ALA 75 Ca 0.03 -2.98 -0.10 0.00 0.00 0.00 0.00 51.96 48.91 2rq8 s ALA 75 Cb -0.13 -2.30 0.01 0.00 0.00 0.00 0.00 23.12 20.70 2rq8 s ALA 75 CO -0.09 -1.93 0.59 0.00 0.00 0.00 0.00 175.76 174.33 2rq8 n ALA 76 N 3.73 -2.83 -2.99 0.00 0.00 0.06 -3.20 120.51 115.28 2rq8 n ALA 76 Ca 0.04 0.75 -0.18 0.00 0.00 0.00 0.00 53.44 54.06 2rq8 n ALA 76 Cb 0.37 -2.88 -0.00 0.00 0.00 0.00 0.00 19.45 16.94 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 -0.77 -3.60 -4.52 0.00 4.13 -1.26 -4.94 115.26 104.30 2rq8 n ASN 77 Ca 0.08 -0.13 -0.32 0.00 1.68 0.00 0.00 54.58 55.89 2rq8 n ASN 77 Cb 0.45 -3.02 -0.12 0.00 -1.54 0.00 0.00 39.78 35.55 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 -2.76 3.19 -0.30 3.41 2.01 -1.19 -5.11 115.64 114.89 2rq8 s THR 78 Ca 0.24 -0.93 -0.11 0.00 0.31 0.00 0.00 61.69 61.20 2rq8 s THR 78 Cb -0.12 -2.34 -0.04 0.00 0.01 0.00 0.00 72.50 70.01 2rq8 s THR 78 CO 0.29 0.41 0.20 -0.75 -0.69 0.00 0.00 174.62 174.09 2rq8 s LYS 79 N -1.28 3.80 -0.16 4.92 2.36 -1.26 -3.16 119.74 124.95 2rq8 s LYS 79 Ca 0.15 -0.43 -0.02 0.00 -2.55 0.00 0.00 55.97 53.13 2rq8 s LYS 79 Cb -0.11 -3.70 0.05 0.00 -1.05 0.00 0.00 37.83 33.02 2rq8 s LYS 79 CO 0.05 -0.26 -0.01 -1.12 1.55 0.00 0.00 175.35 175.56 2rq8 s SER 80 N 1.74 2.62 -0.07 1.43 0.01 -0.18 -5.02 113.70 114.24 2rq8 s SER 80 Ca 0.07 -0.62 0.01 0.00 1.31 0.00 0.00 55.95 56.72 2rq8 s SER 80 Cb -0.16 -0.69 0.02 0.00 0.21 0.00 0.00 66.02 65.39 2rq8 s SER 80 CO 0.11 -0.24 -0.10 0.00 0.41 0.00 0.00 173.24 173.42 2rq8 s ALA 81 N 1.79 1.19 0.18 1.44 0.00 -1.26 -0.33 121.76 124.77 2rq8 s ALA 81 Ca 0.01 -0.40 0.06 0.00 0.00 0.00 0.00 51.96 51.63 2rq8 s ALA 81 Cb -0.15 -0.64 -0.05 0.00 0.00 0.00 0.00 23.12 22.28 2rq8 s ALA 81 CO -0.07 -0.05 -0.12 0.00 0.00 0.00 0.00 175.76 175.52 2rq8 s ALA 82 N 0.98 1.74 0.05 0.00 0.00 -0.87 -4.97 121.76 118.70 2rq8 s ALA 82 Ca -0.09 -1.58 -0.09 0.00 0.00 0.00 0.00 51.96 50.21 2rq8 s ALA 82 Cb -0.15 -0.02 -0.05 0.00 0.00 0.00 0.00 23.12 22.90 2rq8 s ALA 82 CO 0.00 -0.01 0.35 -0.80 0.00 0.00 0.00 175.76 175.30 2rq8 s ASN 83 N -3.24 6.59 -0.10 0.00 -0.87 -1.26 -1.76 114.94 114.30 2rq8 s ASN 83 Ca 0.20 0.70 0.01 0.00 -1.57 0.00 0.00 52.86 52.20 2rq8 s ASN 83 Cb 0.01 -2.14 -0.02 0.00 -0.02 0.00 0.00 41.25 39.08 2rq8 s ASN 83 CO 0.04 0.21 -0.14 -0.22 -2.57 0.00 0.00 177.10 174.42 2rq8 s LEU 84 N -1.83 2.69 -0.32 0.60 0.20 0.97 -2.30 118.68 118.69 2rq8 s LEU 84 Ca 0.31 -0.29 -0.09 0.00 0.69 0.00 0.00 54.13 54.74 2rq8 s LEU 84 Cb -0.14 -1.58 0.01 0.00 -0.43 0.00 0.00 46.19 44.05 2rq8 s LEU 84 CO 0.17 0.23 0.14 -0.75 -0.29 0.00 0.00 176.35 175.85 2rq8 s LYS 85 N -0.02 3.10 -0.15 1.98 2.36 0.37 -2.76 119.74 124.61 2rq8 s LYS 85 Ca -0.04 -0.88 -0.28 0.00 -2.55 0.00 0.00 55.97 52.23 2rq8 s LYS 85 Cb -0.14 -3.55 -0.01 0.00 -1.05 0.00 0.00 37.83 33.08 2rq8 s LYS 85 CO 0.04 -0.51 0.94 0.08 1.55 0.00 0.00 175.35 177.45 2rq8 s VAL 86 N 1.56 4.81 -0.03 4.02 1.01 -1.23 -2.07 120.40 128.46 2rq8 s VAL 86 Ca 0.03 1.87 0.04 0.00 0.00 0.00 0.00 61.98 63.92 2rq8 s VAL 86 Cb -0.18 -4.24 -0.03 0.00 0.00 0.00 0.00 36.38 31.94 2rq8 s VAL 86 CO 0.05 -0.01 -0.15 -0.54 0.00 0.00 0.00 175.10 174.45 2rq8 s LYS 87 N 2.25 2.44 0.75 2.72 -0.14 -0.42 -4.96 119.74 122.37 2rq8 s LYS 87 Ca 0.43 -0.74 -0.14 0.00 -1.36 0.00 0.00 55.97 54.16 2rq8 s LYS 87 Cb -0.17 -2.35 0.05 0.00 -1.68 0.00 0.00 37.83 33.68 2rq8 s LYS 87 CO 0.14 0.61 1.18 -2.00 -0.76 0.00 0.00 175.35 174.51 2rq8 s GLU 88 N -0.87 2.09 -0.68 1.68 2.12 -1.26 -2.01 118.70 119.77 2rq8 s GLU 88 Ca 0.12 1.64 -0.22 0.00 0.36 0.00 0.00 54.97 56.87 2rq8 s GLU 88 Cb -0.11 -1.84 0.08 0.00 0.26 0.00 0.00 34.13 32.52 2rq8 s GLU 88 CO 0.02 -1.85 0.95 -0.51 -0.54 0.00 0.00 175.26 173.33 2rq8 s LEU 89 N -5.36 4.56 -0.02 2.70 1.02 -1.26 -4.80 118.68 115.52 2rq8 s LEU 89 Ca 0.71 -1.14 -0.04 0.00 0.02 0.00 0.00 54.13 53.69 2rq8 s LEU 89 Cb -0.26 -2.40 -0.04 0.00 0.02 0.00 0.00 46.19 43.50 2rq8 s LEU 89 CO 0.47 -1.37 0.19 -0.76 0.02 0.00 0.00 176.35 174.90 2rq8 s LEU 90 N 3.79 4.37 -0.68 1.79 1.02 -1.26 -5.04 118.68 122.67 2rq8 s LEU 90 Ca 0.22 0.39 0.04 0.00 0.02 0.00 0.00 54.13 54.80 2rq8 s LEU 90 Cb -0.17 -2.57 0.29 0.00 0.02 0.00 0.00 46.19 43.76 2rq8 s LEU 90 CO 0.08 0.27 0.96 -1.84 0.02 0.00 0.00 176.35 175.84 2rq8 n GLU 91 N 1.06 3.16 -3.95 1.70 0.00 -1.26 -5.03 120.64 116.32 2rq8 n GLU 91 Ca -0.12 -4.74 -0.09 0.00 0.00 0.00 0.00 57.16 52.21 2rq8 n GLU 91 Cb 0.53 -2.29 -0.10 0.00 0.00 0.00 0.00 31.44 29.58 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 -3.01 0.23 0.73 -1.84 2.46 -1.26 -5.17 115.29 107.43 2rq8 s HIS 92 Ca 0.43 -0.52 0.01 0.00 0.47 0.00 0.00 55.06 55.45 2rq8 s HIS 92 Cb 0.19 -0.17 0.14 0.00 -0.13 0.00 0.00 32.58 32.62 2rq8 s HIS 92 CO -0.06 -0.31 1.00 0.72 -2.47 0.00 0.00 174.74 173.63 2rq8 n HIS 93 N 1.03 -2.84 -1.40 3.88 8.25 -1.26 -5.10 115.22 117.78 2rq8 n HIS 93 Ca -0.20 -1.86 -0.29 0.00 -0.26 0.00 0.00 57.72 55.11 2rq8 n HIS 93 Cb 0.57 -0.73 0.15 0.00 1.12 0.00 0.00 29.99 31.10 2rq8 n HIS 93 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2rq8 s HIS 94 N -3.13 2.38 0.17 4.41 3.76 -1.26 -5.09 115.29 116.54 2rq8 s HIS 94 Ca 0.68 0.92 0.01 0.00 -0.15 0.00 0.00 55.06 56.52 2rq8 s HIS 94 Cb -0.04 -3.33 -0.05 0.00 1.11 0.00 0.00 32.58 30.28 2rq8 s HIS 94 CO 0.45 -2.53 0.03 -1.58 -0.85 0.00 0.00 174.74 170.25 2rq8 s HIS 95 N -3.16 1.17 0.42 1.40 2.46 -1.26 -5.17 115.29 111.15 2rq8 s HIS 95 Ca 0.64 -1.09 0.08 0.00 0.47 0.00 0.00 55.06 55.16 2rq8 s HIS 95 Cb -0.16 -0.67 -0.00 0.00 -0.13 0.00 0.00 32.58 31.62 2rq8 s HIS 95 CO 0.55 -0.29 0.49 -1.58 -2.47 0.00 0.00 174.74 171.44 2rq8 s HIS 96 N -3.76 2.77 -2.07 3.88 2.46 -1.26 -5.36 115.29 111.96 2rq8 s HIS 96 Ca 0.26 -0.43 0.17 0.00 0.47 0.00 0.00 55.06 55.52 2rq8 s HIS 96 Cb 0.07 -2.29 0.13 0.00 -0.13 0.00 0.00 32.58 30.35 2rq8 s HIS 96 CO 0.05 -0.30 1.02 1.58 -2.47 0.00 0.00 174.74 174.63