#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rq8 n LEU 1 N 0.00 0.00 -3.70 3.17 4.77 -1.26 -5.13 117.00 114.85 2rq8 n LEU 1 Ca 0.00 -2.04 -0.12 0.00 -0.03 0.00 0.00 56.01 53.82 2rq8 n LEU 1 Cb 0.00 -0.50 -0.13 0.00 -2.33 0.00 0.00 43.42 40.46 2rq8 n LEU 1 CO 0.00 -0.84 -0.09 -0.63 -1.33 0.00 0.00 177.39 174.50 2rq8 s ILE 2 N -2.55 -0.19 -0.08 -0.08 -1.09 -1.26 -5.15 121.20 110.80 2rq8 s ILE 2 Ca 0.58 0.18 0.02 0.00 -2.23 0.00 0.00 60.65 59.20 2rq8 s ILE 2 Cb -0.04 -0.45 0.01 0.00 -1.58 0.00 0.00 42.46 40.41 2rq8 s ILE 2 CO 0.38 0.08 -0.13 -1.83 -1.23 0.00 0.00 174.94 172.20 2rq8 s GLU 3 N 1.71 1.91 -0.01 2.79 -1.05 -1.26 -5.03 118.70 117.76 2rq8 s GLU 3 Ca -0.06 -0.47 -0.35 0.00 -0.15 0.00 0.00 54.97 53.94 2rq8 s GLU 3 Cb -0.11 -1.60 -0.14 0.00 -0.44 0.00 0.00 34.13 31.84 2rq8 s GLU 3 CO -0.09 -0.01 1.68 1.55 0.95 0.00 0.00 175.26 179.34 2rq8 n VAL 4 N 4.00 0.26 -0.02 1.83 3.14 -1.26 -4.76 118.33 121.53 2rq8 n VAL 4 Ca -0.21 -0.05 -0.17 0.00 -2.96 0.00 0.00 64.34 60.96 2rq8 n VAL 4 Cb 0.52 -1.52 -0.13 0.00 -1.06 0.00 0.00 33.84 31.64 2rq8 n VAL 4 CO 0.00 0.00 0.00 -0.08 -6.46 0.00 0.00 176.83 170.29 2rq8 h GLU 5 N 7.16 0.15 -2.55 1.45 4.22 -0.79 -3.41 114.58 120.81 2rq8 h GLU 5 Ca -0.47 -0.23 -0.60 0.00 0.08 0.00 0.00 59.36 58.14 2rq8 h GLU 5 Cb 1.28 0.08 -0.41 0.00 0.50 0.00 0.00 28.75 30.21 2rq8 h GLU 5 CO 0.91 1.08 -0.76 1.17 -2.18 0.00 0.00 179.01 179.23 2rq8 n LYS 6 N -4.40 1.41 -1.16 1.92 3.00 -1.09 -4.90 118.16 112.94 2rq8 n LYS 6 Ca -0.11 -4.01 -0.29 0.00 -0.00 0.00 0.00 58.31 53.90 2rq8 n LYS 6 Cb 0.62 -1.97 0.18 0.00 0.00 0.00 0.00 35.03 33.85 2rq8 n LYS 6 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2rq8 s PRO 7 N -1.27 0.43 -0.57 1.64 0.04 -1.26 -2.75 135.00 131.26 2rq8 s PRO 7 Ca 0.32 0.53 -0.07 0.00 0.04 0.00 0.00 61.00 61.81 2rq8 s PRO 7 Cb 0.05 -1.74 0.15 0.00 0.04 0.00 0.00 34.50 33.00 2rq8 s PRO 7 CO -0.13 -2.74 0.43 -0.48 0.04 0.00 0.00 177.00 174.12 2rq8 s LEU 8 N -6.46 5.68 0.00 -3.56 2.34 -1.26 -4.91 118.68 110.50 2rq8 s LEU 8 Ca 0.65 -2.35 0.15 0.00 0.06 0.00 0.00 54.13 52.64 2rq8 s LEU 8 Cb -0.19 -1.98 0.69 0.00 -0.56 0.00 0.00 46.19 44.16 2rq8 s LEU 8 CO 0.58 -0.56 1.42 -0.81 -1.06 0.00 0.00 176.35 175.92 2rq8 n PRO 9 N 4.27 0.13 0.00 1.48 -0.04 -1.26 -4.57 135.00 135.01 2rq8 n PRO 9 Ca 0.01 0.19 0.00 0.00 -0.04 0.00 0.00 63.50 63.66 2rq8 n PRO 9 Cb 0.41 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.37 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 0.44 3.59 0.55 0.00 -1.26 -4.74 105.19 103.73 2rq8 n GLY 10 Ca 0.06 0.65 -0.34 0.00 0.00 0.00 0.00 46.02 46.38 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 4.50 -0.13 1.61 1.01 -1.11 -4.99 120.40 121.29 2rq8 s VAL 11 Ca 0.00 -0.14 -0.05 0.00 0.00 0.00 0.00 61.98 61.80 2rq8 s VAL 11 Cb 0.00 -3.01 -0.04 0.00 0.00 0.00 0.00 36.38 33.33 2rq8 s VAL 11 CO 0.00 0.47 0.04 -1.83 0.00 0.00 0.00 175.10 173.78 2rq8 s GLU 12 N 0.36 3.46 -0.06 2.72 1.03 -1.26 -0.26 118.70 124.69 2rq8 s GLU 12 Ca 0.01 -0.36 -0.15 0.00 0.03 0.00 0.00 54.97 54.50 2rq8 s GLU 12 Cb -0.13 -3.00 0.03 0.00 -0.80 0.00 0.00 34.13 30.23 2rq8 s GLU 12 CO 0.01 0.52 0.35 0.14 -1.33 0.00 0.00 175.26 174.95 2rq8 s VAL 13 N -0.35 0.04 1.29 1.83 -7.23 -0.26 -4.89 120.40 110.82 2rq8 s VAL 13 Ca 0.08 -0.30 -0.18 0.00 -1.81 0.00 0.00 61.98 59.78 2rq8 s VAL 13 Cb -0.12 -0.60 0.32 0.00 0.56 0.00 0.00 36.38 36.54 2rq8 s VAL 13 CO 0.02 -0.16 0.98 -0.36 -0.31 0.00 0.00 175.10 175.27 2rq8 s PHE 14 N -0.82 0.41 -0.29 2.82 0.08 -1.26 -0.38 117.98 118.55 2rq8 s PHE 14 Ca -0.09 0.84 -0.25 0.00 0.12 0.00 0.00 56.93 57.56 2rq8 s PHE 14 Cb -0.04 -3.02 0.00 0.00 -0.57 0.00 0.00 43.02 39.39 2rq8 s PHE 14 CO 0.03 -4.40 0.84 0.08 -0.10 0.00 0.00 175.22 171.68 2rq8 s VAL 15 N -2.41 4.77 -1.29 -0.44 1.01 -0.63 -4.15 120.40 117.25 2rq8 s VAL 15 Ca 0.69 1.40 -0.07 0.00 0.00 0.00 0.00 61.98 64.00 2rq8 s VAL 15 Cb -0.19 -4.18 -0.00 0.00 0.00 0.00 0.00 36.38 32.01 2rq8 s VAL 15 CO 0.61 -0.22 0.61 0.61 0.00 0.00 0.00 175.10 176.71 2rq8 n GLY 16 N 3.99 -0.49 0.00 4.51 0.00 -1.26 -4.88 105.19 107.06 2rq8 n GLY 16 Ca 0.06 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.32 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 -4.31 1.61 -0.58 -1.26 -4.41 120.64 107.41 2rq8 n GLU 17 Ca -0.24 0.00 -0.20 0.00 -0.42 0.00 0.00 57.16 56.31 2rq8 n GLU 17 Cb 0.65 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 0.54 1.11 -0.26 2.62 2.01 -1.26 -1.99 115.64 118.41 2rq8 s THR 18 Ca 0.00 -1.07 -0.00 0.00 0.31 0.00 0.00 61.69 60.93 2rq8 s THR 18 Cb 0.00 -1.02 0.08 0.00 0.01 0.00 0.00 72.50 71.56 2rq8 s THR 18 CO 0.00 -0.05 0.02 0.00 -0.69 0.00 0.00 174.62 173.91 2rq8 s ALA 19 N -0.94 1.76 -0.21 7.40 0.00 0.91 -4.28 121.76 126.40 2rq8 s ALA 19 Ca 0.01 -1.48 -0.08 0.00 0.00 0.00 0.00 51.96 50.40 2rq8 s ALA 19 Cb -0.08 -1.51 -0.04 0.00 0.00 0.00 0.00 23.12 21.48 2rq8 s ALA 19 CO 0.01 -1.40 0.09 -1.01 0.00 0.00 0.00 175.76 173.46 2rq8 s HIS 20 N 1.49 3.25 -0.09 0.00 3.76 -1.26 -1.28 115.29 121.16 2rq8 s HIS 20 Ca 0.02 0.05 -0.01 0.00 -0.15 0.00 0.00 55.06 54.98 2rq8 s HIS 20 Cb -0.18 -2.16 0.03 0.00 1.11 0.00 0.00 32.58 31.37 2rq8 s HIS 20 CO -0.13 0.05 -0.05 -0.06 -0.85 0.00 0.00 174.74 173.71 2rq8 s PHE 21 N 0.77 1.11 -0.04 1.40 0.08 -1.08 -4.95 117.98 115.26 2rq8 s PHE 21 Ca 0.05 -0.46 0.02 0.00 0.12 0.00 0.00 56.93 56.65 2rq8 s PHE 21 Cb -0.13 -1.01 0.01 0.00 -0.57 0.00 0.00 43.02 41.32 2rq8 s PHE 21 CO 0.02 -0.41 -0.08 -1.83 -0.10 0.00 0.00 175.22 172.83 2rq8 s GLU 22 N 1.70 1.08 0.21 0.44 -1.05 -1.26 -2.38 118.70 117.44 2rq8 s GLU 22 Ca 0.03 -0.25 -0.06 0.00 -0.15 0.00 0.00 54.97 54.53 2rq8 s GLU 22 Cb -0.13 -0.99 -0.02 0.00 -0.44 0.00 0.00 34.13 32.55 2rq8 s GLU 22 CO -0.06 0.02 0.27 0.96 0.95 0.00 0.00 175.26 177.40 2rq8 s ILE 23 N 0.58 0.01 0.06 1.83 -0.00 -1.24 -4.78 121.20 117.66 2rq8 s ILE 23 Ca -0.09 -1.70 0.09 0.00 -0.00 0.00 0.00 60.65 58.95 2rq8 s ILE 23 Cb -0.13 -2.28 -0.03 0.00 -0.00 0.00 0.00 42.46 40.03 2rq8 s ILE 23 CO 0.01 -0.07 -0.25 -1.61 -0.00 0.00 0.00 174.94 173.03 2rq8 s GLU 24 N -4.08 1.59 0.00 0.37 2.02 -1.11 -3.23 118.70 114.27 2rq8 s GLU 24 Ca 0.29 -1.10 0.00 0.00 0.02 0.00 0.00 54.97 54.19 2rq8 s GLU 24 Cb 0.04 -1.80 0.00 0.00 0.10 0.00 0.00 34.13 32.47 2rq8 s GLU 24 CO 0.09 0.46 0.38 1.28 0.02 0.00 0.00 175.26 177.48 2rq8 n LEU 25 N 1.65 0.75 -2.10 1.80 4.77 -1.26 -0.13 117.00 122.48 2rq8 n LEU 25 Ca -0.17 -0.83 -0.14 0.00 -0.03 0.00 0.00 56.01 54.84 2rq8 n LEU 25 Cb 0.53 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.59 2rq8 n LEU 25 CO 0.23 0.19 -0.16 -1.54 -1.33 0.00 0.00 177.39 174.78 2rq8 n SER 26 N -0.15 -4.03 -2.98 -1.43 3.41 -1.26 -4.64 113.62 102.54 2rq8 n SER 26 Ca 0.00 0.22 -0.03 0.00 -0.26 0.00 0.00 58.87 58.80 2rq8 n SER 26 Cb 0.02 -3.51 -0.00 0.00 -0.26 0.00 0.00 64.21 60.46 2rq8 n SER 26 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2rq8 s GLU 27 N -4.43 0.95 0.00 4.33 0.41 -1.26 -4.99 118.70 113.71 2rq8 s GLU 27 Ca 0.00 -0.74 0.14 0.00 -0.41 0.00 0.00 54.97 53.97 2rq8 s GLU 27 Cb 0.00 -0.03 0.68 0.00 -1.78 0.00 0.00 34.13 33.00 2rq8 s GLU 27 CO 0.00 -1.27 1.43 -0.35 -0.49 0.00 0.00 175.26 174.58 2rq8 n PRO 28 N 3.61 0.12 0.25 0.39 -0.04 -1.26 -2.55 135.00 135.51 2rq8 n PRO 28 Ca 0.15 0.20 0.13 0.00 -0.04 0.00 0.00 63.50 63.94 2rq8 n PRO 28 Cb 0.56 -1.50 0.56 0.00 -0.04 0.00 0.00 33.50 33.08 2rq8 n PRO 28 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2rq8 h ASP 29 N 0.00 0.00 -4.63 3.54 3.32 -1.94 -3.45 116.42 113.25 2rq8 h ASP 29 Ca 0.00 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.80 2rq8 h ASP 29 Cb 0.19 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 2rq8 h ASP 29 CO 0.00 0.12 -0.10 1.33 -1.72 0.00 0.00 179.24 178.87 2rq8 n VAL 30 N -3.28 0.00 -4.07 -1.35 0.24 -1.06 -5.16 118.33 103.66 2rq8 n VAL 30 Ca 0.00 -0.94 -0.10 0.00 -2.04 0.00 0.00 64.34 61.27 2rq8 n VAL 30 Cb 0.37 -0.38 -0.08 0.00 -1.47 0.00 0.00 33.84 32.27 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 -1.08 0.67 0.39 6.34 2.46 -1.26 -5.05 115.29 117.75 2rq8 s HIS 31 Ca 0.16 -1.02 0.04 0.00 0.47 0.00 0.00 55.06 54.71 2rq8 s HIS 31 Cb -0.01 -0.27 -0.02 0.00 -0.13 0.00 0.00 32.58 32.14 2rq8 s HIS 31 CO 0.10 -0.64 0.16 0.20 -2.47 0.00 0.00 174.74 172.10 2rq8 s GLY 32 N -3.02 2.54 -0.04 1.59 0.00 -1.26 -2.77 107.32 104.36 2rq8 s GLY 32 Ca 0.22 -1.42 -0.06 0.00 0.00 0.00 0.00 44.72 43.46 2rq8 s GLY 32 CO 0.02 -1.74 0.16 1.20 0.00 0.00 0.00 173.10 172.74 2rq8 s GLN 33 N -3.66 0.29 -0.20 2.90 -1.52 0.99 -4.99 119.66 113.48 2rq8 s GLN 33 Ca 0.28 0.02 -0.09 0.00 -1.95 0.00 0.00 55.36 53.61 2rq8 s GLN 33 Cb 0.02 0.13 -0.05 0.00 -0.22 0.00 0.00 33.01 32.90 2rq8 s GLN 33 CO 0.17 -0.05 0.11 -1.58 -0.25 0.00 0.00 175.29 173.69 2rq8 s TRP 34 N -0.41 3.33 -0.02 0.91 0.52 -1.26 -0.71 118.94 121.30 2rq8 s TRP 34 Ca -0.05 0.20 0.06 0.00 0.02 0.00 0.00 56.10 56.33 2rq8 s TRP 34 Cb -0.03 -2.15 -0.01 0.00 -1.15 0.00 0.00 33.47 30.13 2rq8 s TRP 34 CO 0.01 0.19 -0.19 -1.59 0.02 0.00 0.00 176.95 175.39 2rq8 s LYS 35 N 0.49 1.55 0.00 4.98 -2.85 0.14 -3.23 119.74 120.82 2rq8 s LYS 35 Ca 0.06 -0.67 -0.01 0.00 -1.00 0.00 0.00 55.97 54.36 2rq8 s LYS 35 Cb -0.12 -1.48 -0.01 0.00 -2.06 0.00 0.00 37.83 34.16 2rq8 s LYS 35 CO -0.00 0.39 0.00 -1.17 0.10 0.00 0.00 175.35 174.67 2rq8 s LEU 36 N -0.40 2.04 0.60 2.77 2.96 -1.26 -2.66 118.68 122.72 2rq8 s LEU 36 Ca 0.06 -0.18 0.29 0.00 -0.22 0.00 0.00 54.13 54.09 2rq8 s LEU 36 Cb -0.08 0.10 1.67 0.00 0.50 0.00 0.00 46.19 48.39 2rq8 s LEU 36 CO -0.00 -0.13 2.08 0.50 -1.32 0.00 0.00 176.35 177.47 2rq8 h LYS 37 N 5.48 0.00 0.12 1.98 3.64 -1.97 -3.00 116.57 122.82 2rq8 h LYS 37 Ca -0.27 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.10 2rq8 h LYS 37 Cb 1.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 2rq8 h LYS 37 CO 0.46 0.00 -0.06 0.78 -2.27 0.00 0.00 179.45 178.36 2rq8 h GLY 38 N 0.00 -0.17 -1.42 5.01 0.00 -1.97 -3.46 103.07 101.06 2rq8 h GLY 38 Ca 0.09 0.06 -0.51 0.00 0.00 0.00 0.00 47.33 46.97 2rq8 h GLY 38 CO -0.00 -0.06 0.37 1.20 0.00 0.00 0.00 176.54 178.05 2rq8 s GLN 39 N -2.07 3.00 -0.00 4.80 1.11 -1.13 -5.00 119.66 120.37 2rq8 s GLN 39 Ca -0.02 1.01 -0.24 0.00 0.01 0.00 0.00 55.36 56.12 2rq8 s GLN 39 Cb 0.00 -2.00 -0.18 0.00 -1.01 0.00 0.00 33.01 29.82 2rq8 s GLN 39 CO 0.07 -1.05 1.29 -1.00 0.01 0.00 0.00 175.29 174.61 2rq8 h PRO 40 N -0.48 0.12 0.00 2.91 0.13 -1.90 -3.40 132.00 129.38 2rq8 h PRO 40 Ca -0.44 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 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 0.57 0.57 0.00 1.47 -0.23 0.00 0.00 178.00 180.38 2rq8 n LEU 41 N -4.76 0.00 -4.90 1.56 -0.00 -1.26 -4.90 117.00 102.73 2rq8 n LEU 41 Ca -0.08 0.00 -0.28 0.00 -0.00 0.00 0.00 56.01 55.66 2rq8 n LEU 41 Cb 0.29 0.00 0.02 0.00 -0.00 0.00 0.00 43.42 43.72 2rq8 n LEU 41 CO 0.35 0.00 0.54 0.00 -0.00 0.00 0.00 177.39 178.28 2rq8 s ALA 42 N -1.51 3.29 -1.04 1.47 0.00 -1.20 -4.23 121.76 118.54 2rq8 s ALA 42 Ca 0.00 -0.51 -0.04 0.00 0.00 0.00 0.00 51.96 51.41 2rq8 s ALA 42 Cb 0.00 -2.69 0.00 0.00 0.00 0.00 0.00 23.12 20.43 2rq8 s ALA 42 CO 0.00 -0.63 0.48 0.00 0.00 0.00 0.00 175.76 175.61 2rq8 n ALA 43 N -2.51 -0.70 -0.80 0.00 0.00 -1.26 -4.98 120.51 110.26 2rq8 n ALA 43 Ca 0.03 0.21 -0.31 0.00 0.00 0.00 0.00 53.44 53.38 2rq8 n ALA 43 Cb 0.56 -3.01 0.17 0.00 0.00 0.00 0.00 19.45 17.17 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 -2.87 2.91 0.00 0.00 0.01 -1.26 -4.88 113.70 107.61 2rq8 s SER 44 Ca 0.24 1.99 0.14 0.00 1.31 0.00 0.00 55.95 59.63 2rq8 s SER 44 Cb -0.10 -2.50 0.68 0.00 0.21 0.00 0.00 66.02 64.31 2rq8 s SER 44 CO 0.29 -3.08 1.43 -0.81 0.41 0.00 0.00 173.24 171.49 2rq8 n PRO 45 N -4.20 0.11 -0.00 12.44 -0.04 -1.26 -2.12 135.00 139.92 2rq8 n PRO 45 Ca 0.10 0.20 0.05 0.00 -0.04 0.00 0.00 63.50 63.80 2rq8 n PRO 45 Cb 0.53 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.43 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 0.75 -4.69 3.54 9.92 -1.26 -5.02 116.55 118.40 2rq8 n ASP 46 Ca 0.05 -0.63 -0.24 0.00 -0.53 0.00 0.00 54.79 53.44 2rq8 n ASP 46 Cb 0.14 1.06 -0.08 0.00 -0.64 0.00 0.00 41.12 41.60 2rq8 n ASP 46 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2rq8 s GLU 48 N -3.80 0.71 -0.32 0.00 0.41 -1.12 -4.42 118.70 110.16 2rq8 s GLU 48 Ca 0.37 -0.03 -0.00 0.00 -0.41 0.00 0.00 54.97 54.90 2rq8 s GLU 48 Cb 0.01 -0.82 0.07 0.00 -1.78 0.00 0.00 34.13 31.61 2rq8 s GLU 48 CO 0.21 -0.14 0.02 0.42 -0.49 0.00 0.00 175.26 175.28 2rq8 s ILE 49 N 1.16 2.77 -0.18 -1.63 1.01 -1.26 -2.06 121.20 121.00 2rq8 s ILE 49 Ca -0.07 -1.69 -0.02 0.00 0.00 0.00 0.00 60.65 58.87 2rq8 s ILE 49 Cb -0.14 -2.71 -0.01 0.00 0.01 0.00 0.00 42.46 39.61 2rq8 s ILE 49 CO -0.01 -0.26 -0.10 -0.63 0.00 0.00 0.00 174.94 173.94 2rq8 s ILE 50 N 1.15 3.10 -0.53 2.92 -1.09 -0.80 -4.99 121.20 120.97 2rq8 s ILE 50 Ca -0.01 -0.61 -0.16 0.00 -2.23 0.00 0.00 60.65 57.64 2rq8 s ILE 50 Cb -0.20 -2.36 0.12 0.00 -1.58 0.00 0.00 42.46 38.44 2rq8 s ILE 50 CO -0.03 0.48 0.48 -1.83 -1.23 0.00 0.00 174.94 172.80 2rq8 s GLU 51 N 0.97 2.96 -0.54 2.79 -1.05 -1.26 -1.72 118.70 120.85 2rq8 s GLU 51 Ca -0.01 -1.67 -0.16 0.00 -0.15 0.00 0.00 54.97 52.98 2rq8 s GLU 51 Cb -0.15 -4.26 0.13 0.00 -0.44 0.00 0.00 34.13 29.41 2rq8 s GLU 51 CO -0.01 -1.29 0.50 0.34 0.95 0.00 0.00 175.26 175.76 2rq8 s ASP 52 N 3.42 6.19 0.45 0.83 -1.08 -0.99 -4.91 116.67 120.60 2rq8 s ASP 52 Ca 0.03 -1.78 0.00 0.00 -0.52 0.00 0.00 52.55 50.28 2rq8 s ASP 52 Cb -0.29 -2.21 0.00 0.00 -1.46 0.00 0.00 42.92 38.96 2rq8 s ASP 52 CO 0.03 -0.86 0.00 0.61 0.52 0.00 0.00 175.17 175.47 2rq8 n GLY 53 N 5.25 1.69 0.01 2.66 0.00 -1.26 -2.85 105.19 110.68 2rq8 n GLY 53 Ca -0.14 0.01 0.01 0.00 0.00 0.00 0.00 46.02 45.91 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 0.87 -2.41 1.61 2.85 -1.26 -4.52 118.16 115.30 2rq8 n LYS 54 Ca 0.00 -0.03 -0.29 0.00 -1.05 0.00 0.00 58.31 56.94 2rq8 n LYS 54 Cb 0.00 -1.10 -0.00 0.00 -0.65 0.00 0.00 35.03 33.28 2rq8 n LYS 54 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 177.40 175.76 2rq8 s LYS 55 N -2.24 3.61 -0.06 -1.58 0.00 -1.13 -4.18 119.74 114.16 2rq8 s LYS 55 Ca -0.02 0.45 0.02 0.00 0.00 0.00 0.00 55.97 56.42 2rq8 s LYS 55 Cb 0.02 -2.27 0.02 0.00 0.00 0.00 0.00 37.83 35.60 2rq8 s LYS 55 CO 0.16 -0.30 -0.10 -1.01 0.00 0.00 0.00 175.35 174.10 2rq8 s HIS 56 N -2.83 1.29 -0.11 1.78 3.76 -1.20 -2.34 115.29 115.65 2rq8 s HIS 56 Ca 0.51 -0.46 0.00 0.00 -0.15 0.00 0.00 55.06 54.95 2rq8 s HIS 56 Cb -0.10 -0.98 -0.02 0.00 1.11 0.00 0.00 32.58 32.58 2rq8 s HIS 56 CO 0.45 -0.26 -0.10 -1.50 -0.85 0.00 0.00 174.74 172.48 2rq8 s ILE 57 N 0.75 3.37 -0.11 0.60 1.10 -0.70 -3.64 121.20 122.57 2rq8 s ILE 57 Ca -0.13 -0.57 -0.00 0.00 -0.51 0.00 0.00 60.65 59.43 2rq8 s ILE 57 Cb -0.15 -2.40 0.02 0.00 0.15 0.00 0.00 42.46 40.08 2rq8 s ILE 57 CO 0.03 0.55 -0.07 -0.22 -2.11 0.00 0.00 174.94 173.11 2rq8 s LEU 58 N -0.10 1.16 -0.41 8.50 1.98 -1.00 -1.90 118.68 126.91 2rq8 s LEU 58 Ca -0.00 -0.29 -0.11 0.00 -2.89 0.00 0.00 54.13 50.84 2rq8 s LEU 58 Cb -0.13 -0.82 0.06 0.00 0.66 0.00 0.00 46.19 45.95 2rq8 s LEU 58 CO 0.03 -0.12 0.26 -0.63 -1.89 0.00 0.00 176.35 174.00 2rq8 s ILE 59 N 1.72 4.48 -0.22 6.68 1.01 -0.88 -2.65 121.20 131.34 2rq8 s ILE 59 Ca 0.05 -1.16 -0.07 0.00 0.00 0.00 0.00 60.65 59.47 2rq8 s ILE 59 Cb -0.13 -3.64 -0.03 0.00 0.01 0.00 0.00 42.46 38.67 2rq8 s ILE 59 CO -0.08 -0.42 0.05 -0.22 0.00 0.00 0.00 174.94 174.27 2rq8 s LEU 60 N 1.50 3.49 0.07 2.97 2.96 -0.40 -2.80 118.68 126.47 2rq8 s LEU 60 Ca 0.03 -0.13 -0.13 0.00 -0.22 0.00 0.00 54.13 53.68 2rq8 s LEU 60 Cb -0.22 -1.91 -0.06 0.00 0.50 0.00 0.00 46.19 44.50 2rq8 s LEU 60 CO 0.04 0.05 0.45 -1.00 -1.32 0.00 0.00 176.35 174.57 2rq8 s HIS 61 N 1.10 3.65 -0.37 5.38 3.76 -1.26 -0.06 115.29 127.49 2rq8 s HIS 61 Ca 0.04 0.95 -0.11 0.00 -0.15 0.00 0.00 55.06 55.78 2rq8 s HIS 61 Cb -0.14 -2.27 0.01 0.00 1.11 0.00 0.00 32.58 31.29 2rq8 s HIS 61 CO 0.03 0.54 0.48 0.09 -0.85 0.00 0.00 174.74 175.03 2rq8 n ASN 62 N 1.22 -6.73 0.00 1.40 3.02 -0.84 -4.93 115.26 108.41 2rq8 n ASN 62 Ca -0.09 0.38 0.00 0.00 -0.03 0.00 0.00 54.58 54.83 2rq8 n ASN 62 Cb 0.52 -4.49 0.00 0.00 -0.61 0.00 0.00 39.78 35.20 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 -1.61 -2.18 -1.37 0.00 6.02 -1.26 -4.84 117.38 112.13 2rq8 n GLN 64 Ca 0.00 1.96 0.01 0.00 -0.01 0.00 0.00 57.00 58.96 2rq8 n GLN 64 Cb 0.00 -3.64 -0.00 0.00 1.02 0.00 0.00 30.24 27.62 2rq8 n GLN 64 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2rq8 n LEU 65 N 0.83 0.52 0.00 1.08 4.77 -1.26 -5.02 117.00 117.92 2rq8 n LEU 65 Ca 0.00 -1.99 0.00 0.00 -0.03 0.00 0.00 56.01 53.99 2rq8 n LEU 65 Cb 0.24 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 2rq8 n LEU 65 CO 0.29 0.73 0.00 0.61 -1.33 0.00 0.00 177.39 177.69 2rq8 n GLY 66 N 0.38 1.70 0.14 -0.72 0.00 -1.26 -2.85 105.19 102.58 2rq8 n GLY 66 Ca -0.02 -0.60 0.12 0.00 0.00 0.00 0.00 46.02 45.52 2rq8 n GLY 66 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2rq8 h MET 67 N 0.00 0.00 -1.81 1.61 2.86 -1.95 -3.43 114.93 112.21 2rq8 h MET 67 Ca 0.00 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.65 2rq8 h MET 67 Cb 0.00 0.00 -0.23 0.00 0.06 0.00 0.00 31.60 31.43 2rq8 h MET 67 CO 0.00 0.00 0.31 0.95 1.06 0.00 0.00 176.91 179.23 2rq8 s THR 68 N -3.18 0.00 0.03 2.22 -4.23 -1.13 -3.66 115.64 105.69 2rq8 s THR 68 Ca 0.07 0.00 0.07 0.00 -1.18 0.00 0.00 61.69 60.65 2rq8 s THR 68 Cb 0.10 -1.00 -0.02 0.00 1.34 0.00 0.00 72.50 72.92 2rq8 s THR 68 CO 0.66 0.00 -0.20 -0.83 -0.54 0.00 0.00 174.62 173.72 2rq8 s GLY 69 N -0.19 1.05 -0.39 3.99 0.00 -0.89 -4.86 107.32 106.03 2rq8 s GLY 69 Ca -0.01 -0.98 -0.16 0.00 0.00 0.00 0.00 44.72 43.56 2rq8 s GLY 69 CO 0.00 -0.89 0.39 1.85 0.00 0.00 0.00 173.10 174.45 2rq8 s GLU 70 N -0.99 3.26 -0.13 2.90 2.12 -1.26 -0.08 118.70 124.52 2rq8 s GLU 70 Ca 0.07 -0.66 -0.10 0.00 0.36 0.00 0.00 54.97 54.64 2rq8 s GLU 70 Cb -0.08 -3.91 -0.05 0.00 0.26 0.00 0.00 34.13 30.35 2rq8 s GLU 70 CO 0.01 -0.72 0.20 0.54 -0.54 0.00 0.00 175.26 174.75 2rq8 s VAL 71 N 2.04 5.39 -0.13 3.70 0.11 -0.90 -4.75 120.40 125.85 2rq8 s VAL 71 Ca 0.11 0.35 0.03 0.00 -2.93 0.00 0.00 61.98 59.53 2rq8 s VAL 71 Cb -0.17 -3.50 0.01 0.00 -1.53 0.00 0.00 36.38 31.19 2rq8 s VAL 71 CO 0.12 0.54 -0.22 -0.44 -3.33 0.00 0.00 175.10 171.77 2rq8 s SER 72 N -0.48 3.19 -0.06 3.54 0.01 -1.09 -2.06 113.70 116.75 2rq8 s SER 72 Ca 0.15 -0.57 0.02 0.00 1.31 0.00 0.00 55.95 56.85 2rq8 s SER 72 Cb -0.13 -1.45 0.02 0.00 0.21 0.00 0.00 66.02 64.67 2rq8 s SER 72 CO 0.04 0.10 -0.09 0.12 0.41 0.00 0.00 173.24 173.82 2rq8 s PHE 73 N 0.67 1.20 -0.25 2.43 5.36 0.61 -0.68 117.98 127.33 2rq8 s PHE 73 Ca -0.10 -0.42 -0.08 0.00 -0.96 0.00 0.00 56.93 55.37 2rq8 s PHE 73 Cb -0.16 -0.93 -0.03 0.00 -0.34 0.00 0.00 43.02 41.56 2rq8 s PHE 73 CO 0.01 -0.25 0.09 -1.14 -1.46 0.00 0.00 175.22 172.47 2rq8 s GLN 74 N 0.77 3.75 -0.50 10.12 0.74 0.11 -1.96 119.66 132.69 2rq8 s GLN 74 Ca -0.13 -0.43 0.00 0.00 0.05 0.00 0.00 55.36 54.85 2rq8 s GLN 74 Cb -0.15 -3.37 0.13 0.00 1.10 0.00 0.00 33.01 30.72 2rq8 s GLN 74 CO 0.02 -0.12 0.27 0.00 -0.55 0.00 0.00 175.29 174.91 2rq8 s ALA 75 N 1.47 3.29 -0.59 1.58 0.00 -1.12 -0.00 121.76 126.39 2rq8 s ALA 75 Ca 0.06 -2.99 -0.10 0.00 0.00 0.00 0.00 51.96 48.93 2rq8 s ALA 75 Cb -0.15 -2.34 0.01 0.00 0.00 0.00 0.00 23.12 20.64 2rq8 s ALA 75 CO 0.05 -1.94 0.65 0.00 0.00 0.00 0.00 175.76 174.51 2rq8 n ALA 76 N 3.74 -2.73 -4.08 0.00 0.00 -1.11 -3.05 120.51 113.27 2rq8 n ALA 76 Ca 0.04 0.53 -0.33 0.00 0.00 0.00 0.00 53.44 53.68 2rq8 n ALA 76 Cb 0.38 -2.52 -0.00 0.00 0.00 0.00 0.00 19.45 17.30 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 -1.06 -3.63 -4.19 0.00 3.02 -1.26 -4.95 115.26 103.18 2rq8 n ASN 77 Ca 0.02 -0.92 -0.24 0.00 -0.03 0.00 0.00 54.58 53.41 2rq8 n ASN 77 Cb 0.51 -3.23 -0.15 0.00 -0.61 0.00 0.00 39.78 36.30 2rq8 n ASN 77 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2rq8 s THR 78 N -3.35 1.42 -0.30 3.41 2.01 -1.17 -5.07 115.64 112.59 2rq8 s THR 78 Ca 0.65 -0.90 -0.16 0.00 0.31 0.00 0.00 61.69 61.58 2rq8 s THR 78 Cb -0.34 -1.21 -0.02 0.00 0.01 0.00 0.00 72.50 70.93 2rq8 s THR 78 CO 0.89 0.29 0.43 -0.54 -0.69 0.00 0.00 174.62 174.99 2rq8 s LYS 79 N -0.71 3.85 -0.08 4.92 3.01 -1.26 -2.80 119.74 126.66 2rq8 s LYS 79 Ca 0.06 -0.04 -0.00 0.00 -1.01 0.00 0.00 55.97 54.98 2rq8 s LYS 79 Cb -0.07 -3.72 0.02 0.00 -1.01 0.00 0.00 37.83 33.05 2rq8 s LYS 79 CO 0.00 -0.42 -0.04 -1.54 0.51 0.00 0.00 175.35 173.86 2rq8 s SER 80 N 1.67 1.74 -0.02 2.83 1.04 -0.83 -5.01 113.70 115.13 2rq8 s SER 80 Ca 0.16 -0.19 0.02 0.00 0.48 0.00 0.00 55.95 56.43 2rq8 s SER 80 Cb -0.16 -0.62 0.00 0.00 0.10 0.00 0.00 66.02 65.34 2rq8 s SER 80 CO 0.11 -0.13 -0.08 0.00 0.98 0.00 0.00 173.24 174.12 2rq8 s ALA 81 N 1.64 0.71 0.06 5.32 0.00 -1.26 -0.28 121.76 127.94 2rq8 s ALA 81 Ca 0.02 -0.29 -0.00 0.00 0.00 0.00 0.00 51.96 51.69 2rq8 s ALA 81 Cb -0.13 -0.25 -0.04 0.00 0.00 0.00 0.00 23.12 22.71 2rq8 s ALA 81 CO -0.05 0.13 -0.04 0.00 0.00 0.00 0.00 175.76 175.80 2rq8 s ALA 82 N 0.09 0.63 0.16 0.00 0.00 -0.87 -5.02 121.76 116.74 2rq8 s ALA 82 Ca -0.01 -1.24 -0.13 0.00 0.00 0.00 0.00 51.96 50.59 2rq8 s ALA 82 Cb -0.06 0.24 -0.07 0.00 0.00 0.00 0.00 23.12 23.23 2rq8 s ALA 82 CO -0.00 -0.33 0.53 1.21 0.00 0.00 0.00 175.76 177.17 2rq8 s ASN 83 N -2.93 6.75 -0.10 0.00 3.04 -1.26 -2.13 114.94 118.31 2rq8 s ASN 83 Ca 0.08 1.00 0.01 0.00 0.04 0.00 0.00 52.86 53.99 2rq8 s ASN 83 Cb 0.07 -2.26 -0.02 0.00 -1.54 0.00 0.00 41.25 37.50 2rq8 s ASN 83 CO -0.08 0.07 -0.14 -0.22 -3.04 0.00 0.00 177.10 173.69 2rq8 s LEU 84 N -2.14 2.69 -0.37 3.21 0.20 0.89 -2.76 118.68 120.40 2rq8 s LEU 84 Ca 0.39 -0.30 -0.11 0.00 0.69 0.00 0.00 54.13 54.81 2rq8 s LEU 84 Cb -0.14 -1.58 0.03 0.00 -0.43 0.00 0.00 46.19 44.06 2rq8 s LEU 84 CO 0.19 0.22 0.20 -0.75 -0.29 0.00 0.00 176.35 175.92 2rq8 s LYS 85 N -0.00 2.85 -0.31 1.98 2.20 0.64 -2.10 119.74 125.00 2rq8 s LYS 85 Ca -0.04 -1.06 -0.27 0.00 -0.36 0.00 0.00 55.97 54.24 2rq8 s LYS 85 Cb -0.14 -3.70 0.01 0.00 -1.51 0.00 0.00 37.83 32.49 2rq8 s LYS 85 CO 0.04 -0.68 0.99 0.08 -0.36 0.00 0.00 175.35 175.42 2rq8 s VAL 86 N 1.55 4.60 -0.08 4.02 1.01 -1.24 -1.10 120.40 129.16 2rq8 s VAL 86 Ca 0.02 1.58 -0.08 0.00 0.00 0.00 0.00 61.98 63.50 2rq8 s VAL 86 Cb -0.19 -4.33 -0.04 0.00 0.00 0.00 0.00 36.38 31.81 2rq8 s VAL 86 CO 0.06 -0.40 0.21 -0.75 0.00 0.00 0.00 175.10 174.21 2rq8 s LYS 87 N 3.43 3.54 0.11 2.72 2.36 0.49 -4.92 119.74 127.47 2rq8 s LYS 87 Ca 0.41 -0.04 -0.30 0.00 -2.55 0.00 0.00 55.97 53.49 2rq8 s LYS 87 Cb -0.13 -3.17 -0.06 0.00 -1.05 0.00 0.00 37.83 33.42 2rq8 s LYS 87 CO 0.14 0.74 1.02 -2.00 1.55 0.00 0.00 175.35 176.80 2rq8 s GLU 88 N -1.19 4.63 -0.37 4.03 2.12 -1.26 -1.61 118.70 125.05 2rq8 s GLU 88 Ca 0.19 1.54 -0.28 0.00 0.36 0.00 0.00 54.97 56.77 2rq8 s GLU 88 Cb -0.13 -3.36 -0.02 0.00 0.26 0.00 0.00 34.13 30.88 2rq8 s GLU 88 CO 0.08 0.10 1.83 -0.51 -0.54 0.00 0.00 175.26 176.23 2rq8 s LEU 89 N 0.15 3.48 0.00 2.70 1.43 -1.26 -4.94 118.68 120.24 2rq8 s LEU 89 Ca 0.49 1.19 0.00 0.00 -1.03 0.00 0.00 54.13 54.78 2rq8 s LEU 89 Cb -0.25 -3.36 -0.00 0.00 0.03 0.00 0.00 46.19 42.61 2rq8 s LEU 89 CO 0.31 -1.83 -0.01 -1.48 0.23 0.00 0.00 176.35 173.57 2rq8 s LEU 90 N 7.34 2.05 -0.12 1.79 0.05 -1.26 -5.04 118.68 123.49 2rq8 s LEU 90 Ca 0.79 -0.11 0.16 0.00 0.05 0.00 0.00 54.13 55.02 2rq8 s LEU 90 Cb -0.21 0.01 0.38 0.00 -2.05 0.00 0.00 46.19 44.31 2rq8 s LEU 90 CO 0.32 -0.06 1.18 -0.62 -0.55 0.00 0.00 176.35 176.62 2rq8 n GLU 91 N 2.76 0.92 -3.55 1.48 1.02 -1.26 -5.06 120.64 116.95 2rq8 n GLU 91 Ca -0.15 -2.63 -0.10 0.00 -0.02 0.00 0.00 57.16 54.27 2rq8 n GLU 91 Cb 0.59 -0.99 -0.04 0.00 -0.02 0.00 0.00 31.44 30.98 2rq8 n GLU 91 CO 0.00 0.00 0.00 -3.38 1.18 0.00 0.00 177.13 174.93 2rq8 s HIS 92 N -1.90 -0.36 0.02 -0.32 -3.43 -1.26 -5.18 115.29 102.86 2rq8 s HIS 92 Ca 0.33 0.49 0.03 0.00 -0.80 0.00 0.00 55.06 55.11 2rq8 s HIS 92 Cb 0.34 0.48 -0.01 0.00 -1.43 0.00 0.00 32.58 31.96 2rq8 s HIS 92 CO -0.09 -0.42 -0.09 -3.38 -2.00 0.00 0.00 174.74 168.77 2rq8 s HIS 93 N -1.85 0.80 1.13 0.38 -3.43 -1.26 -5.15 115.29 105.90 2rq8 s HIS 93 Ca 0.01 -0.27 -0.13 0.00 -0.80 0.00 0.00 55.06 53.87 2rq8 s HIS 93 Cb -0.01 -0.49 0.26 0.00 -1.43 0.00 0.00 32.58 30.91 2rq8 s HIS 93 CO -0.02 -0.02 1.04 -3.38 -2.00 0.00 0.00 174.74 170.37 2rq8 s HIS 94 N -0.63 1.54 -0.00 0.38 -3.43 -1.26 -5.06 115.29 106.83 2rq8 s HIS 94 Ca -0.01 1.12 0.02 0.00 -0.80 0.00 0.00 55.06 55.40 2rq8 s HIS 94 Cb -0.06 -3.14 -0.01 0.00 -1.43 0.00 0.00 32.58 27.94 2rq8 s HIS 94 CO 0.00 -3.64 -0.07 -3.38 -2.00 0.00 0.00 174.74 165.65 2rq8 s HIS 95 N -2.60 0.63 -0.01 0.38 -3.43 -1.26 -5.04 115.29 103.97 2rq8 s HIS 95 Ca 0.68 -0.14 0.00 0.00 -0.80 0.00 0.00 55.06 54.80 2rq8 s HIS 95 Cb -0.23 -0.41 -0.01 0.00 -1.43 0.00 0.00 32.58 30.50 2rq8 s HIS 95 CO 0.63 -0.01 -0.01 1.58 -2.00 0.00 0.00 174.74 174.93 2rq8 n HIS 96 N 2.83 0.00 -0.43 0.38 -0.00 -1.26 -5.38 115.22 111.35 2rq8 n HIS 96 Ca -0.14 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.04 2rq8 n HIS 96 Cb 0.57 -0.04 0.00 0.00 -0.12 0.00 0.00 29.99 30.40 2rq8 n HIS 96 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38