#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 -4.89 -4.17 4.03 7.99 -1.26 -4.98 117.00 113.72 2rq8 n LEU 1 Ca 0.00 -0.46 -0.35 0.00 -0.01 0.00 0.00 56.01 55.19 2rq8 n LEU 1 Cb 0.00 -2.71 -0.14 0.00 -0.11 0.00 0.00 43.42 40.46 2rq8 n LEU 1 CO 0.00 -0.47 -0.36 -0.63 -1.51 0.00 0.00 177.39 174.42 2rq8 s ILE 2 N -3.05 2.99 -0.08 -0.08 -1.09 -1.26 -5.06 121.20 113.57 2rq8 s ILE 2 Ca 0.06 -1.38 0.03 0.00 -2.23 0.00 0.00 60.65 57.13 2rq8 s ILE 2 Cb -0.02 -2.71 0.01 0.00 -1.58 0.00 0.00 42.46 38.16 2rq8 s ILE 2 CO 0.80 -0.10 -0.16 -0.70 -1.23 0.00 0.00 174.94 173.55 2rq8 s GLU 3 N 1.25 2.17 0.36 2.79 2.56 -1.26 -4.99 118.70 121.58 2rq8 s GLU 3 Ca -0.05 -0.58 -0.28 0.00 0.00 0.00 0.00 54.97 54.06 2rq8 s GLU 3 Cb -0.20 -1.72 -0.11 0.00 2.00 0.00 0.00 34.13 34.10 2rq8 s GLU 3 CO -0.01 0.08 1.51 0.28 -0.56 0.00 0.00 175.26 176.55 2rq8 n VAL 4 N 3.72 1.76 -0.07 3.70 0.31 -1.26 -4.55 118.33 121.95 2rq8 n VAL 4 Ca -0.22 -0.44 -0.06 0.00 -0.01 0.00 0.00 64.34 63.61 2rq8 n VAL 4 Cb 0.52 -1.95 -0.15 0.00 -0.91 0.00 0.00 33.84 31.35 2rq8 n VAL 4 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2rq8 n GLU 5 N 0.86 0.67 -3.00 5.55 0.00 0.88 -4.78 120.64 120.82 2rq8 n GLU 5 Ca 0.03 0.03 -0.13 0.00 0.00 0.00 0.00 57.16 57.09 2rq8 n GLU 5 Cb 0.38 -1.58 -0.03 0.00 0.00 0.00 0.00 31.44 30.21 2rq8 n GLU 5 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2rq8 n LYS 6 N -2.75 0.42 -0.86 5.31 4.76 -1.17 -4.90 118.16 118.97 2rq8 n LYS 6 Ca -0.25 -2.47 -0.25 0.00 -2.87 0.00 0.00 58.31 52.47 2rq8 n LYS 6 Cb 1.05 -1.54 0.21 0.00 -1.84 0.00 0.00 35.03 32.91 2rq8 n LYS 6 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 2rq8 n PRO 7 N 2.84 -2.80 -3.61 1.97 -0.04 -1.26 -2.73 135.00 129.37 2rq8 n PRO 7 Ca 0.22 -1.45 -0.38 0.00 -0.04 0.00 0.00 63.50 61.85 2rq8 n PRO 7 Cb 0.53 -1.36 -0.07 0.00 -0.04 0.00 0.00 33.50 32.56 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 5.63 0.00 1.53 1.02 -1.26 -4.89 118.68 120.71 2rq8 s LEU 8 Ca 0.59 -3.13 0.14 0.00 0.02 0.00 0.00 54.13 51.75 2rq8 s LEU 8 Cb -0.06 -1.94 0.69 0.00 0.02 0.00 0.00 46.19 44.89 2rq8 s LEU 8 CO 0.45 -0.34 1.42 -0.81 0.02 0.00 0.00 176.35 177.10 2rq8 n PRO 9 N 3.17 0.12 0.00 1.29 -0.04 -1.26 -4.22 135.00 134.06 2rq8 n PRO 9 Ca 0.14 0.19 0.00 0.00 -0.04 0.00 0.00 63.50 63.79 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 -0.04 -0.63 3.89 0.55 0.00 -1.26 -4.75 105.19 102.95 2rq8 n GLY 10 Ca 0.06 0.84 -0.34 0.00 0.00 0.00 0.00 46.02 46.58 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 5.26 -0.06 1.61 1.01 -1.12 -5.02 120.40 122.07 2rq8 s VAL 11 Ca 0.00 0.11 0.05 0.00 0.00 0.00 0.00 61.98 62.14 2rq8 s VAL 11 Cb 0.00 -3.59 -0.00 0.00 0.00 0.00 0.00 36.38 32.78 2rq8 s VAL 11 CO 0.00 0.27 -0.21 -1.83 0.00 0.00 0.00 175.10 173.32 2rq8 s GLU 12 N -2.03 2.35 0.00 2.72 -1.05 -1.26 -1.77 118.70 117.66 2rq8 s GLU 12 Ca 0.31 -0.77 -0.15 0.00 -0.15 0.00 0.00 54.97 54.21 2rq8 s GLU 12 Cb -0.13 -1.95 0.02 0.00 -0.44 0.00 0.00 34.13 31.64 2rq8 s GLU 12 CO 0.19 0.27 0.32 0.14 0.95 0.00 0.00 175.26 177.14 2rq8 s VAL 13 N 0.06 0.06 0.78 1.83 -7.23 -0.78 -4.81 120.40 110.32 2rq8 s VAL 13 Ca -0.08 -0.52 -0.11 0.00 -1.81 0.00 0.00 61.98 59.46 2rq8 s VAL 13 Cb -0.14 -0.74 0.06 0.00 0.56 0.00 0.00 36.38 36.12 2rq8 s VAL 13 CO 0.04 -0.29 1.08 -0.36 -0.31 0.00 0.00 175.10 175.27 2rq8 s PHE 14 N -1.73 2.73 -0.21 2.82 0.08 -1.26 -0.21 117.98 120.21 2rq8 s PHE 14 Ca -0.11 1.35 -0.29 0.00 0.12 0.00 0.00 56.93 58.01 2rq8 s PHE 14 Cb -0.04 -3.05 -0.02 0.00 -0.57 0.00 0.00 43.02 39.35 2rq8 s PHE 14 CO 0.02 -1.77 1.44 0.08 -0.10 0.00 0.00 175.22 174.89 2rq8 s VAL 15 N -3.01 3.95 -1.31 -0.44 1.01 -0.89 -3.56 120.40 116.15 2rq8 s VAL 15 Ca 0.61 1.11 -0.04 0.00 0.00 0.00 0.00 61.98 63.65 2rq8 s VAL 15 Cb -0.16 -3.88 -0.00 0.00 0.00 0.00 0.00 36.38 32.34 2rq8 s VAL 15 CO 0.55 -0.28 0.60 0.61 0.00 0.00 0.00 175.10 176.59 2rq8 n GLY 16 N 4.24 -0.41 0.00 4.51 0.00 -1.25 -4.89 105.19 107.38 2rq8 n GLY 16 Ca 0.16 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.39 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 -4.30 1.61 -0.58 -1.23 -4.34 120.64 107.52 2rq8 n GLU 17 Ca -0.26 0.00 -0.19 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 31.41 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 0.68 1.10 -0.26 2.62 2.01 -1.26 -1.94 115.64 118.58 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 -1.01 0.08 0.00 0.01 0.00 0.00 72.50 71.57 2rq8 s THR 18 CO 0.00 -0.06 0.03 0.00 -0.69 0.00 0.00 174.62 173.90 2rq8 s ALA 19 N -0.96 1.73 -0.20 7.40 0.00 -0.32 -4.02 121.76 125.39 2rq8 s ALA 19 Ca 0.00 -1.45 -0.08 0.00 0.00 0.00 0.00 51.96 50.43 2rq8 s ALA 19 Cb -0.08 -1.50 -0.04 0.00 0.00 0.00 0.00 23.12 21.49 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 1.51 3.27 -0.08 0.00 3.76 -1.26 -1.73 115.29 120.75 2rq8 s HIS 20 Ca 0.02 0.10 -0.00 0.00 -0.15 0.00 0.00 55.06 55.03 2rq8 s HIS 20 Cb -0.18 -2.15 0.02 0.00 1.11 0.00 0.00 32.58 31.39 2rq8 s HIS 20 CO -0.13 0.11 -0.04 -0.06 -0.85 0.00 0.00 174.74 173.77 2rq8 s PHE 21 N 0.64 1.03 -0.04 1.40 0.08 -1.08 -4.89 117.98 115.13 2rq8 s PHE 21 Ca 0.05 -0.41 0.01 0.00 0.12 0.00 0.00 56.93 56.71 2rq8 s PHE 21 Cb -0.13 -0.96 0.02 0.00 -0.57 0.00 0.00 43.02 41.38 2rq8 s PHE 21 CO 0.01 -0.37 -0.06 -1.83 -0.10 0.00 0.00 175.22 172.87 2rq8 s GLU 22 N 1.64 0.88 0.21 0.44 -1.05 -1.26 -2.40 118.70 117.15 2rq8 s GLU 22 Ca 0.01 -0.17 -0.06 0.00 -0.15 0.00 0.00 54.97 54.60 2rq8 s GLU 22 Cb -0.13 -0.84 -0.03 0.00 -0.44 0.00 0.00 34.13 32.69 2rq8 s GLU 22 CO -0.05 -0.01 0.26 0.96 0.95 0.00 0.00 175.26 177.36 2rq8 s ILE 23 N 0.65 0.01 0.04 1.83 -0.00 -1.25 -4.80 121.20 117.68 2rq8 s ILE 23 Ca -0.09 -1.75 0.09 0.00 -0.00 0.00 0.00 60.65 58.90 2rq8 s ILE 23 Cb -0.12 -2.33 -0.03 0.00 -0.00 0.00 0.00 42.46 39.98 2rq8 s ILE 23 CO 0.01 -0.05 -0.25 -1.61 -0.00 0.00 0.00 174.94 173.04 2rq8 s GLU 24 N -4.09 1.70 -0.00 0.37 2.02 -1.11 -3.58 118.70 114.02 2rq8 s GLU 24 Ca 0.31 -1.07 0.02 0.00 0.02 0.00 0.00 54.97 54.26 2rq8 s GLU 24 Cb 0.04 -1.86 -0.03 0.00 0.10 0.00 0.00 34.13 32.37 2rq8 s GLU 24 CO 0.10 0.48 0.07 1.28 0.02 0.00 0.00 175.26 177.21 2rq8 n LEU 25 N 1.81 0.04 -1.19 1.80 4.77 -1.22 -0.08 117.00 122.92 2rq8 n LEU 25 Ca -0.17 -0.19 -0.16 0.00 -0.03 0.00 0.00 56.01 55.46 2rq8 n LEU 25 Cb 0.52 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.55 2rq8 n LEU 25 CO 0.23 0.01 -0.15 -1.54 -1.33 0.00 0.00 177.39 174.61 2rq8 n SER 26 N -1.38 -5.41 -3.07 -1.43 3.41 -1.26 -4.42 113.62 100.06 2rq8 n SER 26 Ca -0.00 0.39 -0.07 0.00 -0.26 0.00 0.00 58.87 58.93 2rq8 n SER 26 Cb 0.05 -4.29 -0.02 0.00 -0.26 0.00 0.00 64.21 59.69 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 -3.29 0.91 0.00 4.33 0.41 -1.26 -4.99 118.70 114.81 2rq8 s GLU 27 Ca 0.00 -0.88 0.15 0.00 -0.41 0.00 0.00 54.97 53.83 2rq8 s GLU 27 Cb 0.00 -0.25 0.69 0.00 -1.78 0.00 0.00 34.13 32.79 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 3.63 0.12 0.28 0.39 -0.04 -1.26 -3.03 135.00 135.07 2rq8 n PRO 28 Ca 0.16 0.19 0.18 0.00 -0.04 0.00 0.00 63.50 63.99 2rq8 n PRO 28 Cb 0.54 -1.50 0.96 0.00 -0.04 0.00 0.00 33.50 33.45 2rq8 n PRO 28 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 2rq8 h ASP 29 N 0.00 0.00 -3.92 3.54 3.58 -1.94 -3.43 116.42 114.25 2rq8 h ASP 29 Ca 0.00 0.00 -0.31 0.00 0.42 0.00 0.00 57.03 57.14 2rq8 h ASP 29 Cb 0.19 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.18 2rq8 h ASP 29 CO 0.00 0.00 -0.23 1.33 -2.88 0.00 0.00 179.24 177.46 2rq8 n VAL 30 N -3.46 0.00 -4.32 2.25 0.24 -1.17 -5.17 118.33 106.70 2rq8 n VAL 30 Ca -0.01 -1.14 -0.21 0.00 -2.04 0.00 0.00 64.34 60.95 2rq8 n VAL 30 Cb 0.22 0.25 -0.08 0.00 -1.47 0.00 0.00 33.84 32.76 2rq8 n VAL 30 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 2rq8 s HIS 31 N -1.92 1.79 0.01 6.34 3.76 -1.26 -5.04 115.29 118.96 2rq8 s HIS 31 Ca 0.01 -1.64 -0.22 0.00 -0.15 0.00 0.00 55.06 53.06 2rq8 s HIS 31 Cb 0.00 -0.78 0.05 0.00 1.11 0.00 0.00 32.58 32.96 2rq8 s HIS 31 CO 0.01 -0.82 0.49 0.20 -0.85 0.00 0.00 174.74 173.77 2rq8 s GLY 32 N -3.41 -0.37 0.18 -2.22 0.00 -1.26 -1.66 107.32 98.57 2rq8 s GLY 32 Ca 0.39 0.66 0.11 0.00 0.00 0.00 0.00 44.72 45.88 2rq8 s GLY 32 CO 0.27 0.38 -0.23 -0.86 0.00 0.00 0.00 173.10 172.66 2rq8 s GLN 33 N -1.86 1.57 -0.14 2.90 0.00 -0.46 -4.96 119.66 116.71 2rq8 s GLN 33 Ca -0.09 -1.45 -0.07 0.00 -0.00 0.00 0.00 55.36 53.76 2rq8 s GLN 33 Cb -0.02 -1.90 -0.04 0.00 0.00 0.00 0.00 33.01 31.05 2rq8 s GLN 33 CO 0.03 0.42 0.10 -1.58 0.00 0.00 0.00 175.29 174.26 2rq8 s TRP 34 N -1.53 3.44 -0.02 9.60 0.52 -1.26 -2.17 118.94 127.51 2rq8 s TRP 34 Ca 0.20 0.36 0.05 0.00 0.02 0.00 0.00 56.10 56.73 2rq8 s TRP 34 Cb -0.09 -1.99 -0.01 0.00 -1.15 0.00 0.00 33.47 30.24 2rq8 s TRP 34 CO 0.10 0.51 -0.18 0.21 0.02 0.00 0.00 176.95 177.61 2rq8 s LYS 35 N -0.48 1.48 0.01 4.98 2.20 0.37 -3.31 119.74 124.98 2rq8 s LYS 35 Ca 0.11 -0.63 0.00 0.00 -0.36 0.00 0.00 55.97 55.09 2rq8 s LYS 35 Cb -0.12 -1.41 -0.01 0.00 -1.51 0.00 0.00 37.83 34.78 2rq8 s LYS 35 CO 0.02 0.36 -0.01 -1.17 -0.36 0.00 0.00 175.35 174.19 2rq8 s LEU 36 N -0.35 2.11 0.61 5.43 1.98 -1.26 -2.76 118.68 124.43 2rq8 s LEU 36 Ca 0.05 -0.24 0.30 0.00 -2.89 0.00 0.00 54.13 51.36 2rq8 s LEU 36 Cb -0.07 0.05 1.69 0.00 0.66 0.00 0.00 46.19 48.51 2rq8 s LEU 36 CO -0.00 -0.14 2.06 0.50 -1.89 0.00 0.00 176.35 176.87 2rq8 h LYS 37 N 5.44 0.00 0.00 1.98 1.63 -1.98 -3.08 116.57 120.57 2rq8 h LYS 37 Ca -0.28 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.52 2rq8 h LYS 37 Cb 1.21 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.84 2rq8 h LYS 37 CO 0.46 0.00 0.00 0.41 -3.45 0.00 0.00 179.45 176.87 2rq8 n GLY 38 N -1.36 -1.01 3.78 5.01 0.00 -1.26 -4.89 105.19 105.46 2rq8 n GLY 38 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.47 2.66 -0.01 1.61 1.11 -1.16 -4.99 119.66 117.41 2rq8 s GLN 39 Ca 0.00 1.20 -0.25 0.00 0.01 0.00 0.00 55.36 56.32 2rq8 s GLN 39 Cb 0.00 -1.95 -0.19 0.00 -1.01 0.00 0.00 33.01 29.86 2rq8 s GLN 39 CO 0.00 -1.33 1.28 -1.00 0.01 0.00 0.00 175.29 174.24 2rq8 h PRO 40 N -0.52 0.06 0.00 2.91 0.13 -1.90 -3.40 132.00 129.28 2rq8 h PRO 40 Ca -0.45 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 64.62 2rq8 h PRO 40 Cb 1.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 2rq8 h PRO 40 CO 0.54 0.53 -0.02 1.28 -0.23 0.00 0.00 178.00 180.10 2rq8 n LEU 41 N -4.81 0.00 -4.91 1.56 4.77 -1.26 -4.90 117.00 107.45 2rq8 n LEU 41 Ca -0.08 -0.25 -0.28 0.00 -0.03 0.00 0.00 56.01 55.37 2rq8 n LEU 41 Cb 0.27 0.20 0.02 0.00 -2.33 0.00 0.00 43.42 41.58 2rq8 n LEU 41 CO 0.34 -0.05 0.54 0.00 -1.33 0.00 0.00 177.39 176.89 2rq8 s ALA 42 N -1.78 3.29 -1.16 -1.18 0.00 -1.21 -4.18 121.76 115.54 2rq8 s ALA 42 Ca 0.03 -0.54 -0.01 0.00 0.00 0.00 0.00 51.96 51.44 2rq8 s ALA 42 Cb -0.00 -2.68 0.00 0.00 0.00 0.00 0.00 23.12 20.44 2rq8 s ALA 42 CO 0.02 -0.65 0.17 0.00 0.00 0.00 0.00 175.76 175.29 2rq8 n ALA 43 N -2.52 -0.52 -0.79 0.00 0.00 -1.26 -4.98 120.51 110.44 2rq8 n ALA 43 Ca 0.03 0.15 -0.30 0.00 0.00 0.00 0.00 53.44 53.32 2rq8 n ALA 43 Cb 0.56 -2.13 0.17 0.00 0.00 0.00 0.00 19.45 18.05 2rq8 n ALA 43 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2rq8 s SER 44 N -2.53 2.85 0.00 0.00 1.04 -1.26 -4.88 113.70 108.91 2rq8 s SER 44 Ca 0.08 1.97 0.15 0.00 0.48 0.00 0.00 55.95 58.63 2rq8 s SER 44 Cb -0.04 -2.49 0.68 0.00 0.10 0.00 0.00 66.02 64.28 2rq8 s SER 44 CO 0.10 -3.11 1.43 -0.81 0.98 0.00 0.00 173.24 171.83 2rq8 n PRO 45 N -4.23 0.12 -0.09 4.02 -0.04 -1.26 -1.91 135.00 131.61 2rq8 n PRO 45 Ca 0.10 0.19 0.04 0.00 -0.04 0.00 0.00 63.50 63.79 2rq8 n PRO 45 Cb 0.53 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.58 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 -1.38 2.40 -4.30 3.54 8.00 -1.26 -5.02 116.55 118.53 2rq8 n ASP 46 Ca 0.05 -1.82 -0.16 0.00 0.71 0.00 0.00 54.79 53.58 2rq8 n ASP 46 Cb 0.14 -0.12 -0.10 0.00 -0.02 0.00 0.00 41.12 41.02 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 -3.90 0.76 -0.32 0.00 2.02 -1.15 -4.52 118.70 111.59 2rq8 s GLU 48 Ca 0.29 -0.01 -0.00 0.00 0.02 0.00 0.00 54.97 55.26 2rq8 s GLU 48 Cb 0.06 -0.94 0.07 0.00 0.10 0.00 0.00 34.13 33.42 2rq8 s GLU 48 CO 0.08 -0.20 0.02 0.42 0.02 0.00 0.00 175.26 175.61 2rq8 s ILE 49 N 1.45 2.77 -0.35 -1.63 1.01 -1.26 -2.23 121.20 120.96 2rq8 s ILE 49 Ca -0.03 -1.71 -0.02 0.00 0.00 0.00 0.00 60.65 58.90 2rq8 s ILE 49 Cb -0.13 -2.72 0.08 0.00 0.01 0.00 0.00 42.46 39.69 2rq8 s ILE 49 CO -0.03 -0.27 0.09 -0.63 0.00 0.00 0.00 174.94 174.10 2rq8 s ILE 50 N 1.15 3.12 -0.62 2.92 -1.09 -0.89 -4.99 121.20 120.80 2rq8 s ILE 50 Ca -0.01 -1.68 -0.22 0.00 -2.23 0.00 0.00 60.65 56.51 2rq8 s ILE 50 Cb -0.20 -2.96 0.07 0.00 -1.58 0.00 0.00 42.46 37.79 2rq8 s ILE 50 CO -0.03 -0.37 0.89 -1.61 -1.23 0.00 0.00 174.94 172.58 2rq8 s GLU 51 N 1.20 3.13 -0.26 2.79 0.41 -1.26 -2.30 118.70 122.41 2rq8 s GLU 51 Ca 0.01 -0.85 -0.11 0.00 -0.41 0.00 0.00 54.97 53.61 2rq8 s GLU 51 Cb -0.21 -4.20 -0.05 0.00 -1.78 0.00 0.00 34.13 27.89 2rq8 s GLU 51 CO -0.02 -1.67 0.19 0.34 -0.49 0.00 0.00 175.26 173.61 2rq8 s ASP 52 N 3.47 6.08 1.26 -0.19 -1.08 -0.00 -4.93 116.67 121.28 2rq8 s ASP 52 Ca 0.21 0.07 0.00 0.00 -0.52 0.00 0.00 52.55 52.31 2rq8 s ASP 52 Cb -0.18 -2.12 0.00 0.00 -1.46 0.00 0.00 42.92 39.16 2rq8 s ASP 52 CO 0.11 -0.01 0.00 0.61 0.52 0.00 0.00 175.17 176.40 2rq8 n GLY 53 N 4.68 1.12 0.31 2.66 0.00 -1.26 -0.03 105.19 112.67 2rq8 n GLY 53 Ca -0.14 0.53 0.03 0.00 0.00 0.00 0.00 46.02 46.45 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 0.88 -4.08 1.61 0.00 -1.26 -4.59 118.16 110.71 2rq8 n LYS 54 Ca 0.00 -1.20 -0.28 0.00 -0.00 0.00 0.00 58.31 56.83 2rq8 n LYS 54 Cb 0.00 -1.14 -0.06 0.00 -0.00 0.00 0.00 35.03 33.83 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 -0.70 2.82 -0.09 -1.58 -2.85 0.95 -3.44 119.74 114.85 2rq8 s LYS 55 Ca 0.10 -0.81 0.00 0.00 -1.00 0.00 0.00 55.97 54.26 2rq8 s LYS 55 Cb 0.06 -2.65 0.02 0.00 -2.06 0.00 0.00 37.83 33.21 2rq8 s LYS 55 CO 0.09 0.52 -0.08 -1.01 0.10 0.00 0.00 175.35 174.96 2rq8 s HIS 56 N -1.56 1.40 -0.11 1.78 3.76 -1.23 -0.82 115.29 118.50 2rq8 s HIS 56 Ca 0.30 -0.63 -0.02 0.00 -0.15 0.00 0.00 55.06 54.56 2rq8 s HIS 56 Cb -0.11 -1.14 -0.03 0.00 1.11 0.00 0.00 32.58 32.41 2rq8 s HIS 56 CO 0.22 -0.42 -0.04 -1.50 -0.85 0.00 0.00 174.74 172.15 2rq8 s ILE 57 N 1.37 3.88 -0.11 0.60 1.10 -0.97 -3.81 121.20 123.27 2rq8 s ILE 57 Ca -0.02 -0.39 -0.00 0.00 -0.51 0.00 0.00 60.65 59.74 2rq8 s ILE 57 Cb -0.14 -2.65 0.02 0.00 0.15 0.00 0.00 42.46 39.85 2rq8 s ILE 57 CO -0.04 0.55 -0.08 -0.22 -2.11 0.00 0.00 174.94 173.04 2rq8 s LEU 58 N -0.25 1.24 -0.34 8.50 1.98 -1.01 -2.09 118.68 126.71 2rq8 s LEU 58 Ca 0.04 -0.30 -0.07 0.00 -2.89 0.00 0.00 54.13 50.91 2rq8 s LEU 58 Cb -0.13 -0.83 0.04 0.00 0.66 0.00 0.00 46.19 45.93 2rq8 s LEU 58 CO 0.02 -0.10 0.12 -0.63 -1.89 0.00 0.00 176.35 173.87 2rq8 s ILE 59 N 1.56 3.93 -0.25 6.68 1.01 -0.95 -2.63 121.20 130.55 2rq8 s ILE 59 Ca 0.02 -1.05 0.01 0.00 0.00 0.00 0.00 60.65 59.63 2rq8 s ILE 59 Cb -0.13 -3.20 0.05 0.00 0.01 0.00 0.00 42.46 39.19 2rq8 s ILE 59 CO -0.07 -0.17 -0.10 -0.22 0.00 0.00 0.00 174.94 174.39 2rq8 s LEU 60 N 1.43 3.32 0.42 2.97 2.96 -0.71 -2.93 118.68 126.14 2rq8 s LEU 60 Ca -0.01 -1.22 -0.08 0.00 -0.22 0.00 0.00 54.13 52.60 2rq8 s LEU 60 Cb -0.19 -1.58 -0.05 0.00 0.50 0.00 0.00 46.19 44.86 2rq8 s LEU 60 CO 0.03 -0.17 0.75 -1.00 -1.32 0.00 0.00 176.35 174.64 2rq8 s HIS 61 N 1.18 3.50 -0.67 5.38 3.76 -1.26 -1.17 115.29 126.01 2rq8 s HIS 61 Ca -0.05 0.92 -0.01 0.00 -0.15 0.00 0.00 55.06 55.76 2rq8 s HIS 61 Cb -0.19 -2.35 0.00 0.00 1.11 0.00 0.00 32.58 31.15 2rq8 s HIS 61 CO -0.05 -0.13 0.65 0.09 -0.85 0.00 0.00 174.74 174.44 2rq8 n ASN 62 N -1.58 -7.45 -3.76 1.40 5.03 -0.82 -4.91 115.26 103.17 2rq8 n ASN 62 Ca 0.01 -0.02 -0.41 0.00 0.87 0.00 0.00 54.58 55.04 2rq8 n ASN 62 Cb 0.54 -5.05 0.01 0.00 -1.02 0.00 0.00 39.78 34.26 2rq8 n ASN 62 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2rq8 n GLN 64 N 0.61 2.39 -0.35 0.00 6.02 -1.26 -3.89 117.38 120.90 2rq8 n GLN 64 Ca 0.36 -2.21 0.13 0.00 -0.01 0.00 0.00 57.00 55.27 2rq8 n GLN 64 Cb 0.31 -2.14 0.33 0.00 1.02 0.00 0.00 30.24 29.76 2rq8 n GLN 64 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2rq8 h LEU 65 N 4.08 0.77 0.00 1.08 4.07 -2.00 -3.48 115.31 119.84 2rq8 h LEU 65 Ca 0.37 0.09 0.00 0.00 0.08 0.00 0.00 57.88 58.43 2rq8 h LEU 65 Cb 0.81 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.50 2rq8 h LEU 65 CO 0.81 0.28 0.00 0.61 -1.08 0.00 0.00 178.44 179.06 2rq8 n GLY 66 N -1.34 1.16 2.29 0.83 0.00 -1.26 -4.93 105.19 101.94 2rq8 n GLY 66 Ca 0.23 -0.38 -0.25 0.00 0.00 0.00 0.00 46.02 45.62 2rq8 n GLY 66 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2rq8 n MET 67 N 0.00 1.49 -1.31 1.61 2.81 -1.26 -5.05 117.12 115.41 2rq8 n MET 67 Ca 0.00 -3.85 0.00 0.00 -1.81 0.00 0.00 57.70 52.04 2rq8 n MET 67 Cb 0.00 -1.67 0.00 0.00 -0.71 0.00 0.00 33.22 30.84 2rq8 n MET 67 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 2rq8 n THR 68 N 1.18 -6.32 -4.32 2.03 -1.04 -1.26 -5.06 114.28 99.49 2rq8 n THR 68 Ca 0.25 1.89 -0.20 0.00 -2.04 0.00 0.00 64.05 63.95 2rq8 n THR 68 Cb 0.48 -3.29 -0.07 0.00 -1.82 0.00 0.00 70.33 65.63 2rq8 n THR 68 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2rq8 n GLY 69 N 0.60 3.08 3.51 3.41 0.00 -1.11 -4.98 105.19 109.70 2rq8 n GLY 69 Ca 0.00 -1.94 -0.34 0.00 0.00 0.00 0.00 46.02 43.74 2rq8 n GLY 69 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2rq8 s GLU 70 N -3.32 3.13 -0.10 1.61 2.12 -1.26 0.08 118.70 120.96 2rq8 s GLU 70 Ca 0.32 -0.57 -0.11 0.00 0.36 0.00 0.00 54.97 54.97 2rq8 s GLU 70 Cb 0.02 -2.69 -0.05 0.00 0.26 0.00 0.00 34.13 31.67 2rq8 s GLU 70 CO 0.22 0.45 0.24 0.54 -0.54 0.00 0.00 175.26 176.18 2rq8 s VAL 71 N -0.24 5.33 -0.18 3.70 0.11 0.25 -4.87 120.40 124.49 2rq8 s VAL 71 Ca 0.03 0.45 -0.04 0.00 -2.93 0.00 0.00 61.98 59.50 2rq8 s VAL 71 Cb -0.13 -3.54 -0.02 0.00 -1.53 0.00 0.00 36.38 31.16 2rq8 s VAL 71 CO 0.03 0.54 -0.04 -0.94 -3.33 0.00 0.00 175.10 171.36 2rq8 s SER 72 N -0.60 4.58 -0.04 3.54 1.04 -1.11 -2.27 113.70 118.84 2rq8 s SER 72 Ca 0.17 -0.24 -0.02 0.00 0.48 0.00 0.00 55.95 56.35 2rq8 s SER 72 Cb -0.13 -1.76 0.03 0.00 0.10 0.00 0.00 66.02 64.26 2rq8 s SER 72 CO 0.06 0.09 0.06 0.12 0.98 0.00 0.00 173.24 174.56 2rq8 s PHE 73 N 0.81 0.02 -0.24 5.02 5.36 -0.19 -0.48 117.98 128.29 2rq8 s PHE 73 Ca -0.01 0.26 -0.06 0.00 -0.96 0.00 0.00 56.93 56.16 2rq8 s PHE 73 Cb -0.15 -0.36 -0.02 0.00 -0.34 0.00 0.00 43.02 42.15 2rq8 s PHE 73 CO 0.02 -0.16 0.02 -1.14 -1.46 0.00 0.00 175.22 172.50 2rq8 s GLN 74 N 1.78 3.55 -0.48 10.12 0.74 -0.92 -1.96 119.66 132.48 2rq8 s GLN 74 Ca -0.00 -0.54 0.01 0.00 0.05 0.00 0.00 55.36 54.88 2rq8 s GLN 74 Cb -0.12 -3.19 0.13 0.00 1.10 0.00 0.00 33.01 30.92 2rq8 s GLN 74 CO -0.03 -0.18 0.24 0.00 -0.55 0.00 0.00 175.29 174.76 2rq8 s ALA 75 N 1.54 3.24 -0.67 1.58 0.00 -1.17 -1.36 121.76 124.92 2rq8 s ALA 75 Ca 0.06 -2.96 -0.03 0.00 0.00 0.00 0.00 51.96 49.04 2rq8 s ALA 75 Cb -0.15 -2.27 0.00 0.00 0.00 0.00 0.00 23.12 20.71 2rq8 s ALA 75 CO 0.01 -1.92 0.67 0.00 0.00 0.00 0.00 175.76 174.52 2rq8 n ALA 76 N 3.74 -2.57 -3.49 0.00 0.00 -0.66 -3.09 120.51 114.44 2rq8 n ALA 76 Ca 0.04 0.19 -0.26 0.00 0.00 0.00 0.00 53.44 53.42 2rq8 n ALA 76 Cb 0.37 -1.85 0.00 0.00 0.00 0.00 0.00 19.45 17.98 2rq8 n ALA 76 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2rq8 n ASN 77 N -1.51 -4.19 -4.37 0.00 2.85 -1.26 -4.93 115.26 101.84 2rq8 n ASN 77 Ca 0.02 -0.50 -0.31 0.00 -0.11 0.00 0.00 54.58 53.68 2rq8 n ASN 77 Cb 0.49 -3.43 -0.14 0.00 1.24 0.00 0.00 39.78 37.94 2rq8 n ASN 77 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 2rq8 s THR 78 N -3.06 2.36 -0.30 -0.44 2.01 -1.18 -5.07 115.64 109.96 2rq8 s THR 78 Ca 0.47 -1.19 -0.15 0.00 0.31 0.00 0.00 61.69 61.13 2rq8 s THR 78 Cb -0.24 -1.91 -0.03 0.00 0.01 0.00 0.00 72.50 70.34 2rq8 s THR 78 CO 0.58 0.45 0.36 -0.54 -0.69 0.00 0.00 174.62 174.77 2rq8 s LYS 79 N -1.05 3.82 -0.15 4.92 3.01 -1.26 -3.01 119.74 126.01 2rq8 s LYS 79 Ca 0.12 -0.18 -0.01 0.00 -1.01 0.00 0.00 55.97 54.89 2rq8 s LYS 79 Cb -0.10 -3.72 0.04 0.00 -1.01 0.00 0.00 37.83 33.04 2rq8 s LYS 79 CO 0.02 -0.38 -0.01 -1.12 0.51 0.00 0.00 175.35 174.36 2rq8 s SER 80 N 1.69 2.59 -0.13 2.83 0.01 -0.83 -5.02 113.70 114.85 2rq8 s SER 80 Ca 0.13 -0.59 -0.00 0.00 1.31 0.00 0.00 55.95 56.80 2rq8 s SER 80 Cb -0.16 -0.70 0.03 0.00 0.21 0.00 0.00 66.02 65.39 2rq8 s SER 80 CO 0.11 -0.23 -0.09 0.00 0.41 0.00 0.00 173.24 173.44 2rq8 s ALA 81 N 1.78 1.46 0.27 1.44 0.00 -1.26 -1.02 121.76 124.43 2rq8 s ALA 81 Ca 0.01 -0.65 0.11 0.00 0.00 0.00 0.00 51.96 51.43 2rq8 s ALA 81 Cb -0.15 -0.96 -0.05 0.00 0.00 0.00 0.00 23.12 21.96 2rq8 s ALA 81 CO -0.07 -0.44 -0.19 0.00 0.00 0.00 0.00 175.76 175.06 2rq8 s ALA 82 N 1.65 2.62 0.06 0.00 0.00 -0.96 -4.96 121.76 120.17 2rq8 s ALA 82 Ca 0.05 -1.84 -0.19 0.00 0.00 0.00 0.00 51.96 49.97 2rq8 s ALA 82 Cb -0.13 -0.23 -0.06 0.00 0.00 0.00 0.00 23.12 22.70 2rq8 s ALA 82 CO -0.09 0.24 0.56 1.21 0.00 0.00 0.00 175.76 177.68 2rq8 s ASN 83 N -3.48 7.03 -0.30 0.00 2.47 -1.26 -0.59 114.94 118.82 2rq8 s ASN 83 Ca 0.29 1.23 -0.07 0.00 0.42 0.00 0.00 52.86 54.73 2rq8 s ASN 83 Cb -0.04 -2.35 0.01 0.00 -1.45 0.00 0.00 41.25 37.42 2rq8 s ASN 83 CO 0.14 0.26 0.08 -0.22 -3.72 0.00 0.00 177.10 173.64 2rq8 s LEU 84 N -1.01 3.90 -0.29 3.21 1.98 0.11 -2.80 118.68 123.77 2rq8 s LEU 84 Ca 0.29 -0.77 -0.11 0.00 -2.89 0.00 0.00 54.13 50.64 2rq8 s LEU 84 Cb -0.19 -1.87 -0.04 0.00 0.66 0.00 0.00 46.19 44.74 2rq8 s LEU 84 CO 0.18 -0.21 0.20 -0.75 -1.89 0.00 0.00 176.35 173.88 2rq8 s LYS 85 N 1.48 3.82 -0.43 1.98 2.36 -0.73 -2.76 119.74 125.47 2rq8 s LYS 85 Ca 0.02 -0.41 -0.20 0.00 -2.55 0.00 0.00 55.97 52.84 2rq8 s LYS 85 Cb -0.17 -3.68 0.02 0.00 -1.05 0.00 0.00 37.83 32.94 2rq8 s LYS 85 CO 0.02 -0.25 0.58 0.08 1.55 0.00 0.00 175.35 177.34 2rq8 s VAL 86 N 1.74 4.91 0.10 4.02 1.01 -1.26 -1.87 120.40 129.05 2rq8 s VAL 86 Ca 0.07 -0.00 -0.24 0.00 0.00 0.00 0.00 61.98 61.81 2rq8 s VAL 86 Cb -0.16 -4.15 -0.07 0.00 0.00 0.00 0.00 36.38 32.00 2rq8 s VAL 86 CO 0.11 -0.53 0.72 -0.54 0.00 0.00 0.00 175.10 174.86 2rq8 s LYS 87 N 2.61 4.46 0.56 2.72 -0.14 0.71 -4.88 119.74 125.78 2rq8 s LYS 87 Ca 0.20 1.02 -0.20 0.00 -1.36 0.00 0.00 55.97 55.62 2rq8 s LYS 87 Cb -0.15 -3.29 -0.04 0.00 -1.68 0.00 0.00 37.83 32.66 2rq8 s LYS 87 CO 0.17 0.48 1.25 -2.00 -0.76 0.00 0.00 175.35 174.50 2rq8 s GLU 88 N -0.75 3.14 -0.78 1.68 2.12 -1.26 -2.09 118.70 120.77 2rq8 s GLU 88 Ca 0.35 1.96 -0.23 0.00 0.36 0.00 0.00 54.97 57.41 2rq8 s GLU 88 Cb -0.21 -2.12 0.06 0.00 0.26 0.00 0.00 34.13 32.13 2rq8 s GLU 88 CO 0.23 -1.11 1.16 -0.51 -0.54 0.00 0.00 175.26 174.49 2rq8 s LEU 89 N -3.72 3.99 -0.23 2.70 1.02 -1.26 -4.83 118.68 116.34 2rq8 s LEU 89 Ca 0.73 -1.06 -0.07 0.00 0.02 0.00 0.00 54.13 53.75 2rq8 s LEU 89 Cb -0.34 -2.48 0.11 0.00 0.02 0.00 0.00 46.19 43.50 2rq8 s LEU 89 CO 0.38 -1.51 0.49 -0.22 0.02 0.00 0.00 176.35 175.51 2rq8 s LEU 90 N 4.49 -0.81 0.17 1.79 2.96 -1.26 -5.12 118.68 120.90 2rq8 s LEU 90 Ca 0.31 1.13 -0.30 0.00 -0.22 0.00 0.00 54.13 55.04 2rq8 s LEU 90 Cb -0.10 1.64 -0.08 0.00 0.50 0.00 0.00 46.19 48.15 2rq8 s LEU 90 CO 0.06 -0.23 1.29 -0.70 -1.32 0.00 0.00 176.35 175.44 2rq8 s GLU 91 N 2.70 4.40 -0.28 1.98 2.12 -1.26 -5.01 118.70 123.35 2rq8 s GLU 91 Ca -0.02 2.00 0.01 0.00 0.36 0.00 0.00 54.97 57.32 2rq8 s GLU 91 Cb -0.12 -3.23 0.06 0.00 0.26 0.00 0.00 34.13 31.10 2rq8 s GLU 91 CO -0.15 -0.25 -0.05 -3.38 -0.54 0.00 0.00 175.26 170.89 2rq8 s HIS 92 N 0.32 3.31 -0.30 5.30 -3.43 -1.26 -5.06 115.29 114.17 2rq8 s HIS 92 Ca 0.57 -2.20 -0.35 0.00 -0.80 0.00 0.00 55.06 52.29 2rq8 s HIS 92 Cb -0.35 -2.10 -0.11 0.00 -1.43 0.00 0.00 32.58 28.59 2rq8 s HIS 92 CO 0.36 -0.86 2.13 1.58 -2.00 0.00 0.00 174.74 175.95 2rq8 n HIS 93 N 4.50 1.76 -3.97 0.38 -0.00 -1.26 -4.94 115.22 111.69 2rq8 n HIS 93 Ca -0.12 0.21 -0.33 0.00 0.46 0.00 0.00 57.72 57.94 2rq8 n HIS 93 Cb 0.42 -2.57 -0.05 0.00 -0.12 0.00 0.00 29.99 27.68 2rq8 n HIS 93 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2rq8 s HIS 94 N 6.81 3.44 0.12 1.57 5.04 -1.26 -5.11 115.29 125.91 2rq8 s HIS 94 Ca 1.06 0.28 -0.07 0.00 -1.54 0.00 0.00 55.06 54.79 2rq8 s HIS 94 Cb -0.79 -1.78 -0.06 0.00 0.04 0.00 0.00 32.58 29.99 2rq8 s HIS 94 CO 0.49 0.60 0.39 -1.58 -2.34 0.00 0.00 174.74 172.30 2rq8 s HIS 95 N -1.32 3.51 -0.13 3.88 2.46 -1.26 -5.09 115.29 117.34 2rq8 s HIS 95 Ca 0.27 0.65 -0.30 0.00 0.47 0.00 0.00 55.06 56.15 2rq8 s HIS 95 Cb -0.12 -2.07 0.12 0.00 -0.13 0.00 0.00 32.58 30.37 2rq8 s HIS 95 CO 0.19 0.46 0.95 -1.58 -2.47 0.00 0.00 174.74 172.29 2rq8 s HIS 96 N -1.56 -0.39 -1.38 3.88 5.04 -1.26 -5.33 115.29 114.29 2rq8 s HIS 96 Ca 0.38 0.62 0.11 0.00 -1.54 0.00 0.00 55.06 54.63 2rq8 s HIS 96 Cb -0.13 0.46 0.09 0.00 0.04 0.00 0.00 32.58 33.04 2rq8 s HIS 96 CO 0.22 -0.39 0.85 1.58 -2.34 0.00 0.00 174.74 174.65