#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 2.74 -0.77 -0.89 2.34 -1.26 -5.04 118.68 115.80 2rq8 s LEU 1 Ca 0.00 -1.41 -0.26 0.00 0.06 0.00 0.00 54.13 52.53 2rq8 s LEU 1 Cb 0.00 -0.93 -0.08 0.00 -0.56 0.00 0.00 46.19 44.62 2rq8 s LEU 1 CO 0.00 -0.59 2.17 -0.63 -1.06 0.00 0.00 176.35 176.24 2rq8 s ILE 2 N -2.74 3.22 -0.18 1.48 -1.09 -1.26 -4.93 121.20 115.69 2rq8 s ILE 2 Ca 0.28 -0.12 -0.06 0.00 -2.23 0.00 0.00 60.65 58.52 2rq8 s ILE 2 Cb 0.07 -3.50 -0.03 0.00 -1.58 0.00 0.00 42.46 37.41 2rq8 s ILE 2 CO 0.15 -0.48 0.03 -1.61 -1.23 0.00 0.00 174.94 171.80 2rq8 s GLU 3 N 7.89 3.81 0.48 2.79 0.41 -1.26 -4.99 118.70 127.82 2rq8 s GLU 3 Ca 0.82 -0.43 -0.24 0.00 -0.41 0.00 0.00 54.97 54.70 2rq8 s GLU 3 Cb -0.11 -3.12 -0.07 0.00 -1.78 0.00 0.00 34.13 29.05 2rq8 s GLU 3 CO 0.08 0.18 1.37 1.55 -0.49 0.00 0.00 175.26 177.96 2rq8 n VAL 4 N 3.77 3.11 -0.03 2.63 3.14 -1.26 -4.60 118.33 125.09 2rq8 n VAL 4 Ca -0.17 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.72 2rq8 n VAL 4 Cb 0.52 -1.72 -0.10 0.00 -1.06 0.00 0.00 33.84 31.48 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 -0.44 1.17 -2.85 1.45 4.07 0.82 -4.85 120.64 120.01 2rq8 n GLU 5 Ca 0.07 -0.07 -0.09 0.00 -0.06 0.00 0.00 57.16 57.02 2rq8 n GLU 5 Cb 0.42 -1.33 0.00 0.00 -0.06 0.00 0.00 31.44 30.48 2rq8 n GLU 5 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 2rq8 n LYS 6 N -2.23 0.58 -0.91 5.31 3.00 -1.02 -4.86 118.16 118.04 2rq8 n LYS 6 Ca -0.12 -2.15 -0.26 0.00 -0.00 0.00 0.00 58.31 55.78 2rq8 n LYS 6 Cb 0.64 -1.48 0.22 0.00 0.00 0.00 0.00 35.03 34.41 2rq8 n LYS 6 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 2rq8 n PRO 7 N 2.47 -2.89 -3.61 1.64 -0.04 -1.26 -2.60 135.00 128.71 2rq8 n PRO 7 Ca 0.17 -1.53 -0.39 0.00 -0.04 0.00 0.00 63.50 61.71 2rq8 n PRO 7 Cb 0.57 -1.44 -0.07 0.00 -0.04 0.00 0.00 33.50 32.52 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 5.65 0.00 1.53 1.02 -1.26 -4.90 118.68 120.73 2rq8 s LEU 8 Ca 0.62 -2.96 0.14 0.00 0.02 0.00 0.00 54.13 51.95 2rq8 s LEU 8 Cb -0.06 -1.95 0.68 0.00 0.02 0.00 0.00 46.19 44.88 2rq8 s LEU 8 CO 0.48 -0.39 1.43 -0.81 0.02 0.00 0.00 176.35 177.08 2rq8 n PRO 9 N 3.41 0.12 0.00 1.29 -0.04 -1.26 -4.39 135.00 134.13 2rq8 n PRO 9 Ca 0.12 0.19 0.00 0.00 -0.04 0.00 0.00 63.50 63.77 2rq8 n PRO 9 Cb 0.40 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.36 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 0.36 3.78 0.55 0.00 -1.26 -4.82 105.19 103.76 2rq8 n GLY 10 Ca 0.05 0.65 -0.32 0.00 0.00 0.00 0.00 46.02 46.40 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 4.63 -0.06 1.61 1.01 -1.17 -5.05 120.40 121.36 2rq8 s VAL 11 Ca 0.00 -0.57 0.03 0.00 0.00 0.00 0.00 61.98 61.44 2rq8 s VAL 11 Cb 0.00 -3.16 0.01 0.00 0.00 0.00 0.00 36.38 33.23 2rq8 s VAL 11 CO 0.00 0.25 -0.13 -1.83 0.00 0.00 0.00 175.10 173.39 2rq8 s GLU 12 N -2.02 1.78 0.14 2.72 -1.05 -1.26 -2.86 118.70 116.15 2rq8 s GLU 12 Ca 0.26 -0.46 -0.07 0.00 -0.15 0.00 0.00 54.97 54.54 2rq8 s GLU 12 Cb -0.12 -1.46 -0.02 0.00 -0.44 0.00 0.00 34.13 32.09 2rq8 s GLU 12 CO 0.17 0.07 0.21 0.14 0.95 0.00 0.00 175.26 176.80 2rq8 s VAL 13 N 0.55 0.09 0.83 1.83 -7.23 -1.11 -4.90 120.40 110.47 2rq8 s VAL 13 Ca -0.13 -1.49 -0.12 0.00 -1.81 0.00 0.00 61.98 58.43 2rq8 s VAL 13 Cb -0.15 -1.82 0.09 0.00 0.56 0.00 0.00 36.38 35.06 2rq8 s VAL 13 CO 0.04 -0.40 1.11 -0.36 -0.31 0.00 0.00 175.10 175.18 2rq8 s PHE 14 N -3.97 2.72 -0.27 2.82 0.08 -1.26 -1.80 117.98 116.31 2rq8 s PHE 14 Ca 0.17 1.06 -0.28 0.00 0.12 0.00 0.00 56.93 58.00 2rq8 s PHE 14 Cb 0.05 -3.20 0.01 0.00 -0.57 0.00 0.00 43.02 39.30 2rq8 s PHE 14 CO -0.01 -1.97 1.02 0.54 -0.10 0.00 0.00 175.22 174.70 2rq8 s VAL 15 N -3.19 4.64 -1.46 -0.44 0.11 -0.09 -3.88 120.40 116.09 2rq8 s VAL 15 Ca 0.62 1.83 -0.07 0.00 -2.93 0.00 0.00 61.98 61.42 2rq8 s VAL 15 Cb -0.15 -4.32 0.05 0.00 -1.53 0.00 0.00 36.38 30.44 2rq8 s VAL 15 CO 0.54 -0.28 0.74 0.61 -3.33 0.00 0.00 175.10 173.38 2rq8 n GLY 16 N 3.61 -0.36 0.00 6.54 0.00 -1.26 -4.88 105.19 108.84 2rq8 n GLY 16 Ca 0.11 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 -4.46 0.00 -4.29 1.61 -0.58 -1.25 -4.69 120.64 106.99 2rq8 n GLU 17 Ca -0.14 0.00 -0.19 0.00 -0.42 0.00 0.00 57.16 56.41 2rq8 n GLU 17 Cb 0.60 0.00 -0.13 0.00 -0.57 0.00 0.00 31.44 31.35 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 1.08 -0.21 2.62 2.01 -1.25 -3.70 115.64 116.72 2rq8 s THR 18 Ca 0.00 -1.07 -0.01 0.00 0.31 0.00 0.00 61.69 60.92 2rq8 s THR 18 Cb 0.00 -1.00 0.06 0.00 0.01 0.00 0.00 72.50 71.57 2rq8 s THR 18 CO 0.00 -0.07 -0.03 0.00 -0.69 0.00 0.00 174.62 173.83 2rq8 s ALA 19 N -0.97 1.61 -0.25 7.40 0.00 0.11 -4.02 121.76 125.64 2rq8 s ALA 19 Ca 0.00 -1.09 -0.08 0.00 0.00 0.00 0.00 51.96 50.79 2rq8 s ALA 19 Cb -0.08 -1.32 -0.03 0.00 0.00 0.00 0.00 23.12 21.68 2rq8 s ALA 19 CO 0.01 -1.14 0.09 -1.01 0.00 0.00 0.00 175.76 173.72 2rq8 s HIS 20 N 1.57 3.13 -0.11 0.00 3.76 -1.26 -1.80 115.29 120.58 2rq8 s HIS 20 Ca -0.04 -0.25 0.00 0.00 -0.15 0.00 0.00 55.06 54.62 2rq8 s HIS 20 Cb -0.18 -2.25 0.02 0.00 1.11 0.00 0.00 32.58 31.29 2rq8 s HIS 20 CO -0.07 -0.26 -0.10 -0.06 -0.85 0.00 0.00 174.74 173.41 2rq8 s PHE 21 N 1.50 1.59 -0.03 1.40 0.08 -1.12 -4.94 117.98 116.46 2rq8 s PHE 21 Ca 0.06 -0.77 0.01 0.00 0.12 0.00 0.00 56.93 56.35 2rq8 s PHE 21 Cb -0.15 -1.26 0.02 0.00 -0.57 0.00 0.00 43.02 41.07 2rq8 s PHE 21 CO 0.05 -0.48 -0.01 -1.83 -0.10 0.00 0.00 175.22 172.84 2rq8 s GLU 22 N 1.43 0.39 0.21 0.44 -1.05 -1.26 -2.46 118.70 116.39 2rq8 s GLU 22 Ca 0.00 0.01 -0.06 0.00 -0.15 0.00 0.00 54.97 54.77 2rq8 s GLU 22 Cb -0.13 -0.51 -0.02 0.00 -0.44 0.00 0.00 34.13 33.03 2rq8 s GLU 22 CO -0.06 -0.09 0.27 0.96 0.95 0.00 0.00 175.26 177.29 2rq8 s ILE 23 N 0.82 0.01 0.03 1.83 -0.00 -1.25 -4.84 121.20 117.81 2rq8 s ILE 23 Ca -0.09 -1.70 0.08 0.00 -0.00 0.00 0.00 60.65 58.95 2rq8 s ILE 23 Cb -0.12 -2.28 -0.03 0.00 -0.00 0.00 0.00 42.46 40.03 2rq8 s ILE 23 CO -0.01 -0.06 -0.25 -1.61 -0.00 0.00 0.00 174.94 173.01 2rq8 s GLU 24 N -4.08 1.75 -0.00 0.37 2.02 -1.07 -3.55 118.70 114.14 2rq8 s GLU 24 Ca 0.29 -1.02 0.02 0.00 0.02 0.00 0.00 54.97 54.28 2rq8 s GLU 24 Cb 0.04 -1.86 -0.03 0.00 0.10 0.00 0.00 34.13 32.38 2rq8 s GLU 24 CO 0.09 0.49 0.07 1.28 0.02 0.00 0.00 175.26 177.20 2rq8 n LEU 25 N 1.94 0.05 -1.15 1.80 4.77 -1.22 -0.13 117.00 123.06 2rq8 n LEU 25 Ca -0.17 -0.27 -0.15 0.00 -0.03 0.00 0.00 56.01 55.39 2rq8 n LEU 25 Cb 0.52 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.55 2rq8 n LEU 25 CO 0.23 0.01 -0.14 -1.54 -1.33 0.00 0.00 177.39 174.62 2rq8 n SER 26 N -1.29 -5.38 -3.23 -1.43 3.41 -1.26 -4.48 113.62 99.97 2rq8 n SER 26 Ca 0.00 0.37 -0.18 0.00 -0.26 0.00 0.00 58.87 58.81 2rq8 n SER 26 Cb 0.04 -4.20 -0.06 0.00 -0.26 0.00 0.00 64.21 59.73 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 -3.24 0.84 0.00 4.33 0.41 -1.26 -4.98 118.70 114.81 2rq8 s GLU 27 Ca 0.00 -1.38 0.15 0.00 -0.41 0.00 0.00 54.97 53.33 2rq8 s GLU 27 Cb 0.00 -0.82 0.69 0.00 -1.78 0.00 0.00 34.13 32.22 2rq8 s GLU 27 CO 0.00 -1.30 1.42 -0.35 -0.49 0.00 0.00 175.26 174.54 2rq8 n PRO 28 N 3.41 0.13 0.29 0.39 -0.04 -1.26 -2.91 135.00 135.00 2rq8 n PRO 28 Ca 0.20 0.19 0.19 0.00 -0.04 0.00 0.00 63.50 64.04 2rq8 n PRO 28 Cb 0.49 -1.50 1.01 0.00 -0.04 0.00 0.00 33.50 33.46 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 -4.39 3.54 3.58 -1.93 -3.44 116.42 113.78 2rq8 h ASP 29 Ca 0.00 0.00 -0.42 0.00 0.42 0.00 0.00 57.03 57.03 2rq8 h ASP 29 Cb 0.18 0.00 -0.10 0.00 1.72 0.00 0.00 39.33 41.13 2rq8 h ASP 29 CO 0.00 0.00 -0.38 1.33 -2.88 0.00 0.00 179.24 177.31 2rq8 n VAL 30 N -2.87 0.00 -3.92 2.25 0.24 -1.15 -5.18 118.33 107.69 2rq8 n VAL 30 Ca -0.02 -1.97 0.00 0.00 -2.04 0.00 0.00 64.34 60.31 2rq8 n VAL 30 Cb 0.09 0.84 0.00 0.00 -1.47 0.00 0.00 33.84 33.30 2rq8 n VAL 30 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 2rq8 n HIS 31 N -0.64 0.00 -4.19 6.34 8.25 -1.26 -5.00 115.22 118.73 2rq8 n HIS 31 Ca 0.01 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.31 2rq8 n HIS 31 Cb 0.50 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.54 2rq8 n HIS 31 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2rq8 s GLY 32 N -0.92 1.78 0.00 -1.41 0.00 -1.26 -2.77 107.32 102.73 2rq8 s GLY 32 Ca 0.00 -1.75 0.01 0.00 0.00 0.00 0.00 44.72 42.98 2rq8 s GLY 32 CO 0.00 -1.25 -0.03 1.62 0.00 0.00 0.00 173.10 173.44 2rq8 s GLN 33 N -3.49 0.25 -0.21 2.90 0.74 0.86 -4.99 119.66 115.72 2rq8 s GLN 33 Ca 0.36 -0.14 -0.09 0.00 0.05 0.00 0.00 55.36 55.53 2rq8 s GLN 33 Cb 0.02 -0.22 -0.05 0.00 1.10 0.00 0.00 33.01 33.86 2rq8 s GLN 33 CO 0.21 0.06 0.12 -1.58 -0.55 0.00 0.00 175.29 173.55 2rq8 s TRP 34 N -0.16 3.30 -0.02 1.67 0.52 -1.26 -1.04 118.94 121.95 2rq8 s TRP 34 Ca 0.00 0.16 0.06 0.00 0.02 0.00 0.00 56.10 56.34 2rq8 s TRP 34 Cb -0.02 -2.18 -0.01 0.00 -1.15 0.00 0.00 33.47 30.11 2rq8 s TRP 34 CO -0.00 0.12 -0.19 0.21 0.02 0.00 0.00 176.95 177.11 2rq8 s LYS 35 N 0.72 1.60 0.00 4.98 2.20 0.24 -3.39 119.74 126.09 2rq8 s LYS 35 Ca 0.06 -0.67 -0.01 0.00 -0.36 0.00 0.00 55.97 54.99 2rq8 s LYS 35 Cb -0.13 -1.51 -0.01 0.00 -1.51 0.00 0.00 37.83 34.68 2rq8 s LYS 35 CO 0.02 0.38 0.02 -1.17 -0.36 0.00 0.00 175.35 174.23 2rq8 s LEU 36 N -0.36 1.98 0.60 5.43 2.96 -1.26 -2.51 118.68 125.52 2rq8 s LEU 36 Ca 0.05 -0.16 0.30 0.00 -0.22 0.00 0.00 54.13 54.10 2rq8 s LEU 36 Cb -0.08 0.15 1.69 0.00 0.50 0.00 0.00 46.19 48.45 2rq8 s LEU 36 CO -0.00 -0.14 2.08 0.07 -1.32 0.00 0.00 176.35 177.03 2rq8 h LYS 37 N 5.44 0.00 0.05 1.98 2.10 -1.97 -3.05 116.57 121.12 2rq8 h LYS 37 Ca -0.28 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 -0.02 0.78 -2.00 0.00 0.00 179.45 178.66 2rq8 h GLY 38 N 0.00 -0.07 -1.46 0.07 0.00 -1.96 -3.46 103.07 96.19 2rq8 h GLY 38 Ca 0.09 0.03 -0.51 0.00 0.00 0.00 0.00 47.33 46.94 2rq8 h GLY 38 CO -0.00 -0.03 0.36 1.20 0.00 0.00 0.00 176.54 178.08 2rq8 s GLN 39 N -1.87 2.94 -0.01 4.80 1.11 -1.15 -5.00 119.66 120.48 2rq8 s GLN 39 Ca -0.01 1.07 -0.25 0.00 0.01 0.00 0.00 55.36 56.18 2rq8 s GLN 39 Cb 0.00 -1.99 -0.19 0.00 -1.01 0.00 0.00 33.01 29.82 2rq8 s GLN 39 CO 0.03 -1.10 1.28 -1.00 0.01 0.00 0.00 175.29 174.51 2rq8 h PRO 40 N -0.42 0.05 0.00 2.91 0.13 -1.90 -3.40 132.00 129.37 2rq8 h PRO 40 Ca -0.45 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 2rq8 h PRO 40 Cb 1.22 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 2rq8 h PRO 40 CO 0.56 0.52 -0.01 1.28 -0.23 0.00 0.00 178.00 180.12 2rq8 n LEU 41 N -4.82 0.00 -4.91 1.56 4.77 -1.26 -4.91 117.00 107.44 2rq8 n LEU 41 Ca -0.08 -0.12 -0.28 0.00 -0.03 0.00 0.00 56.01 55.51 2rq8 n LEU 41 Cb 0.26 0.09 0.02 0.00 -2.33 0.00 0.00 43.42 41.46 2rq8 n LEU 41 CO 0.34 -0.02 0.53 0.00 -1.33 0.00 0.00 177.39 176.91 2rq8 s ALA 42 N -1.78 3.29 -0.92 -1.18 0.00 -1.22 -4.28 121.76 115.68 2rq8 s ALA 42 Ca 0.01 -0.55 -0.05 0.00 0.00 0.00 0.00 51.96 51.38 2rq8 s ALA 42 Cb 0.00 -2.67 0.01 0.00 0.00 0.00 0.00 23.12 20.46 2rq8 s ALA 42 CO 0.01 -0.65 0.62 0.00 0.00 0.00 0.00 175.76 175.74 2rq8 n ALA 43 N -2.51 -0.76 -0.81 0.00 0.00 -1.26 -4.99 120.51 110.18 2rq8 n ALA 43 Ca 0.03 0.23 -0.31 0.00 0.00 0.00 0.00 53.44 53.40 2rq8 n ALA 43 Cb 0.56 -3.34 0.16 0.00 0.00 0.00 0.00 19.45 16.84 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 -3.05 2.95 0.00 0.00 0.01 -1.26 -4.88 113.70 107.46 2rq8 s SER 44 Ca 0.31 1.97 0.14 0.00 1.31 0.00 0.00 55.95 59.69 2rq8 s SER 44 Cb -0.14 -2.49 0.67 0.00 0.21 0.00 0.00 66.02 64.28 2rq8 s SER 44 CO 0.38 -3.04 1.43 -0.81 0.41 0.00 0.00 173.24 171.60 2rq8 n PRO 45 N -4.18 0.11 -0.10 12.44 -0.04 -1.26 -1.96 135.00 140.00 2rq8 n PRO 45 Ca 0.10 0.20 0.03 0.00 -0.04 0.00 0.00 63.50 63.79 2rq8 n PRO 45 Cb 0.53 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.57 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 2.49 -4.25 3.54 8.00 -1.26 -5.02 116.55 118.66 2rq8 n ASP 46 Ca 0.05 -2.04 -0.14 0.00 0.71 0.00 0.00 54.79 53.37 2rq8 n ASP 46 Cb 0.14 -0.13 -0.10 0.00 -0.02 0.00 0.00 41.12 41.01 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 -3.95 0.72 -0.32 0.00 2.02 -1.12 -4.51 118.70 111.54 2rq8 s GLU 48 Ca 0.27 -0.03 0.00 0.00 0.02 0.00 0.00 54.97 55.23 2rq8 s GLU 48 Cb 0.06 -0.83 0.07 0.00 0.10 0.00 0.00 34.13 33.53 2rq8 s GLU 48 CO 0.06 -0.14 0.02 0.42 0.02 0.00 0.00 175.26 175.64 2rq8 s ILE 49 N 1.19 2.74 -0.11 -1.63 1.01 -1.26 -2.02 121.20 121.12 2rq8 s ILE 49 Ca -0.07 -1.73 0.01 0.00 0.00 0.00 0.00 60.65 58.85 2rq8 s ILE 49 Cb -0.14 -2.72 -0.02 0.00 0.01 0.00 0.00 42.46 39.60 2rq8 s ILE 49 CO -0.02 -0.29 -0.13 -0.63 0.00 0.00 0.00 174.94 173.88 2rq8 s ILE 50 N 1.14 3.08 -0.41 2.92 -1.09 -0.78 -4.98 121.20 121.07 2rq8 s ILE 50 Ca -0.01 -0.67 -0.04 0.00 -2.23 0.00 0.00 60.65 57.70 2rq8 s ILE 50 Cb -0.20 -2.27 0.11 0.00 -1.58 0.00 0.00 42.46 38.51 2rq8 s ILE 50 CO -0.04 0.54 0.22 -1.61 -1.23 0.00 0.00 174.94 172.82 2rq8 s GLU 51 N 0.10 2.14 -0.54 2.79 8.01 -1.26 -1.11 118.70 128.83 2rq8 s GLU 51 Ca -0.06 -1.76 -0.16 0.00 0.01 0.00 0.00 54.97 53.00 2rq8 s GLU 51 Cb -0.15 -3.63 0.12 0.00 -4.31 0.00 0.00 34.13 26.16 2rq8 s GLU 51 CO 0.05 -1.06 0.51 0.34 0.01 0.00 0.00 175.26 175.11 2rq8 s ASP 52 N 1.95 6.19 0.32 -0.19 2.15 -0.74 -4.90 116.67 121.45 2rq8 s ASP 52 Ca 0.07 -1.71 0.00 0.00 0.43 0.00 0.00 52.55 51.33 2rq8 s ASP 52 Cb -0.23 -2.22 0.00 0.00 -0.30 0.00 0.00 42.92 40.17 2rq8 s ASP 52 CO -0.03 -0.87 0.00 0.61 -0.17 0.00 0.00 175.17 174.71 2rq8 n GLY 53 N 5.25 1.77 0.00 2.66 0.00 -1.26 -2.54 105.19 111.07 2rq8 n GLY 53 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 0.85 -4.11 1.61 0.00 -1.26 -4.48 118.16 110.78 2rq8 n LYS 54 Ca 0.00 -0.92 -0.27 0.00 -0.00 0.00 0.00 58.31 57.11 2rq8 n LYS 54 Cb 0.00 -0.96 -0.06 0.00 -0.00 0.00 0.00 35.03 34.01 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 -0.44 2.77 -0.08 -1.58 -2.85 -1.05 -3.40 119.74 113.10 2rq8 s LYS 55 Ca 0.00 -0.88 0.01 0.00 -1.00 0.00 0.00 55.97 54.10 2rq8 s LYS 55 Cb 0.00 -2.59 0.02 0.00 -2.06 0.00 0.00 37.83 33.20 2rq8 s LYS 55 CO 0.00 0.50 -0.11 -1.01 0.10 0.00 0.00 175.35 174.83 2rq8 s HIS 56 N -1.65 1.44 -0.09 1.78 3.76 -1.23 -1.80 115.29 117.51 2rq8 s HIS 56 Ca 0.29 -0.59 0.01 0.00 -0.15 0.00 0.00 55.06 54.63 2rq8 s HIS 56 Cb -0.10 -1.11 -0.02 0.00 1.11 0.00 0.00 32.58 32.46 2rq8 s HIS 56 CO 0.22 -0.35 -0.12 -1.50 -0.85 0.00 0.00 174.74 172.14 2rq8 s ILE 57 N 0.99 3.20 -0.10 0.60 1.10 -0.27 -3.78 121.20 122.95 2rq8 s ILE 57 Ca -0.08 -0.64 0.01 0.00 -0.51 0.00 0.00 60.65 59.42 2rq8 s ILE 57 Cb -0.15 -2.31 0.02 0.00 0.15 0.00 0.00 42.46 40.17 2rq8 s ILE 57 CO -0.00 0.56 -0.09 -0.22 -2.11 0.00 0.00 174.94 173.08 2rq8 s LEU 58 N -0.25 1.35 -0.21 8.50 1.98 -1.03 -1.86 118.68 127.16 2rq8 s LEU 58 Ca 0.02 -0.30 -0.06 0.00 -2.89 0.00 0.00 54.13 50.90 2rq8 s LEU 58 Cb -0.13 -0.83 -0.03 0.00 0.66 0.00 0.00 46.19 45.86 2rq8 s LEU 58 CO 0.03 -0.06 0.04 -0.63 -1.89 0.00 0.00 176.35 173.83 2rq8 s ILE 59 N 1.33 4.25 -0.17 6.68 -1.09 -0.86 -2.80 121.20 128.54 2rq8 s ILE 59 Ca -0.02 -0.21 0.01 0.00 -2.23 0.00 0.00 60.65 58.20 2rq8 s ILE 59 Cb -0.14 -2.94 0.01 0.00 -1.58 0.00 0.00 42.46 37.81 2rq8 s ILE 59 CO -0.04 0.41 -0.18 -0.76 -1.23 0.00 0.00 174.94 173.14 2rq8 s LEU 60 N 1.04 2.29 -0.11 2.97 1.43 -0.75 -2.80 118.68 122.74 2rq8 s LEU 60 Ca 0.03 -0.57 0.08 0.00 -1.03 0.00 0.00 54.13 52.64 2rq8 s LEU 60 Cb -0.14 -1.52 0.42 0.00 0.03 0.00 0.00 46.19 44.98 2rq8 s LEU 60 CO 0.02 0.03 1.16 1.41 0.23 0.00 0.00 176.35 179.21 2rq8 n HIS 61 N 4.39 1.04 -3.30 0.29 8.25 -1.24 0.08 115.22 124.73 2rq8 n HIS 61 Ca -0.20 -0.37 -0.09 0.00 -0.26 0.00 0.00 57.72 56.80 2rq8 n HIS 61 Cb 0.51 -0.29 -0.05 0.00 1.12 0.00 0.00 29.99 31.28 2rq8 n HIS 61 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2rq8 s ASN 62 N -0.45 0.13 -0.19 0.41 2.20 -1.24 -4.49 114.94 111.31 2rq8 s ASN 62 Ca 0.28 -1.03 0.12 0.00 -0.94 0.00 0.00 52.86 51.29 2rq8 s ASN 62 Cb 0.21 1.13 0.68 0.00 -2.00 0.00 0.00 41.25 41.27 2rq8 s ASN 62 CO 0.09 -0.26 1.54 0.00 -2.94 0.00 0.00 177.10 175.54 2rq8 s GLN 64 N -2.42 2.72 0.00 0.00 -0.21 -1.26 -4.11 119.66 114.38 2rq8 s GLN 64 Ca 0.45 -1.23 0.23 0.00 0.02 0.00 0.00 55.36 54.84 2rq8 s GLN 64 Cb 0.34 -5.28 0.17 0.00 1.00 0.00 0.00 33.01 29.25 2rq8 s GLN 64 CO 0.14 -3.69 1.19 1.28 -2.12 0.00 0.00 175.29 172.09 2rq8 n LEU 65 N 13.47 1.36 0.00 2.90 7.99 -1.26 -5.02 117.00 136.44 2rq8 n LEU 65 Ca 0.45 -0.49 0.00 0.00 -0.01 0.00 0.00 56.01 55.96 2rq8 n LEU 65 Cb 0.47 -0.06 0.00 0.00 -0.11 0.00 0.00 43.42 43.72 2rq8 n LEU 65 CO 0.68 0.27 0.00 0.61 -1.51 0.00 0.00 177.39 177.45 2rq8 n GLY 66 N 1.43 0.79 2.28 -0.72 0.00 -1.26 -4.64 105.19 103.07 2rq8 n GLY 66 Ca 0.08 -0.73 -0.25 0.00 0.00 0.00 0.00 46.02 45.12 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 1.38 -1.55 1.61 2.81 -1.26 -5.05 117.12 115.06 2rq8 n MET 67 Ca 0.00 -3.75 0.00 0.00 -1.81 0.00 0.00 57.70 52.14 2rq8 n MET 67 Cb 0.00 -1.60 0.00 0.00 -0.71 0.00 0.00 33.22 30.91 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 1.16 -9.44 -4.32 2.03 -1.04 -1.26 -5.05 114.28 96.36 2rq8 n THR 68 Ca 0.24 2.33 -0.20 0.00 -2.04 0.00 0.00 64.05 64.38 2rq8 n THR 68 Cb 0.49 -4.28 -0.08 0.00 -1.82 0.00 0.00 70.33 64.64 2rq8 n THR 68 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2rq8 s GLY 69 N -0.51 2.37 -0.09 3.41 0.00 -1.06 -4.98 107.32 106.45 2rq8 s GLY 69 Ca 0.00 -1.90 -0.01 0.00 0.00 0.00 0.00 44.72 42.82 2rq8 s GLY 69 CO 0.00 -1.54 -0.06 1.85 0.00 0.00 0.00 173.10 173.36 2rq8 s GLU 70 N -3.52 3.01 -0.13 2.90 2.12 -1.26 0.07 118.70 121.90 2rq8 s GLU 70 Ca 0.37 -0.53 -0.12 0.00 0.36 0.00 0.00 54.97 55.05 2rq8 s GLU 70 Cb 0.02 -2.69 -0.05 0.00 0.26 0.00 0.00 34.13 31.68 2rq8 s GLU 70 CO 0.25 0.55 0.26 0.54 -0.54 0.00 0.00 175.26 176.32 2rq8 s VAL 71 N -0.51 5.32 -0.21 3.70 0.11 0.02 -4.86 120.40 123.96 2rq8 s VAL 71 Ca 0.08 0.48 -0.09 0.00 -2.93 0.00 0.00 61.98 59.52 2rq8 s VAL 71 Cb -0.12 -3.57 -0.04 0.00 -1.53 0.00 0.00 36.38 31.11 2rq8 s VAL 71 CO 0.02 0.48 0.10 -0.94 -3.33 0.00 0.00 175.10 171.43 2rq8 s SER 72 N -0.13 5.72 -0.04 3.54 1.04 -1.04 -2.12 113.70 120.66 2rq8 s SER 72 Ca 0.16 0.04 -0.00 0.00 0.48 0.00 0.00 55.95 56.63 2rq8 s SER 72 Cb -0.13 -2.01 0.03 0.00 0.10 0.00 0.00 66.02 64.01 2rq8 s SER 72 CO 0.05 0.10 0.00 0.12 0.98 0.00 0.00 173.24 174.49 2rq8 s PHE 73 N 0.84 0.42 -0.26 5.02 5.36 -0.33 -0.59 117.98 128.44 2rq8 s PHE 73 Ca 0.05 -0.03 -0.08 0.00 -0.96 0.00 0.00 56.93 55.91 2rq8 s PHE 73 Cb -0.13 -0.55 -0.04 0.00 -0.34 0.00 0.00 43.02 41.97 2rq8 s PHE 73 CO 0.02 -0.19 0.11 -0.65 -1.46 0.00 0.00 175.22 173.05 2rq8 s GLN 74 N 1.41 3.75 -0.49 10.12 -0.21 -0.21 -2.08 119.66 131.96 2rq8 s GLN 74 Ca -0.04 -0.43 0.01 0.00 0.02 0.00 0.00 55.36 54.92 2rq8 s GLN 74 Cb -0.13 -3.43 0.13 0.00 1.00 0.00 0.00 33.01 30.58 2rq8 s GLN 74 CO -0.03 -0.18 0.25 0.00 -2.12 0.00 0.00 175.29 173.21 2rq8 s ALA 75 N 1.65 3.26 -0.70 6.09 0.00 -1.12 -0.10 121.76 130.85 2rq8 s ALA 75 Ca 0.07 -2.98 -0.04 0.00 0.00 0.00 0.00 51.96 49.01 2rq8 s ALA 75 Cb -0.15 -2.29 0.00 0.00 0.00 0.00 0.00 23.12 20.68 2rq8 s ALA 75 CO 0.06 -1.93 0.67 0.00 0.00 0.00 0.00 175.76 174.56 2rq8 n ALA 76 N 3.72 -2.62 -3.97 0.00 0.00 -1.12 -2.97 120.51 113.56 2rq8 n ALA 76 Ca 0.04 0.15 -0.30 0.00 0.00 0.00 0.00 53.44 53.33 2rq8 n ALA 76 Cb 0.37 -1.76 0.01 0.00 0.00 0.00 0.00 19.45 18.08 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 -1.62 -3.78 -4.17 0.00 3.02 -1.26 -4.89 115.26 102.55 2rq8 n ASN 77 Ca -0.03 -0.85 -0.23 0.00 -0.03 0.00 0.00 54.58 53.43 2rq8 n ASN 77 Cb 0.53 -3.59 -0.14 0.00 -0.61 0.00 0.00 39.78 35.96 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 -3.38 1.33 -0.29 3.41 2.01 -1.16 -5.08 115.64 112.48 2rq8 s THR 78 Ca 0.57 -0.88 -0.15 0.00 0.31 0.00 0.00 61.69 61.53 2rq8 s THR 78 Cb -0.29 -1.14 -0.03 0.00 0.01 0.00 0.00 72.50 71.05 2rq8 s THR 78 CO 0.85 0.24 0.39 -0.54 -0.69 0.00 0.00 174.62 174.88 2rq8 s LYS 79 N -0.75 3.90 -0.09 4.92 3.01 -1.26 -2.78 119.74 126.69 2rq8 s LYS 79 Ca 0.05 -0.04 -0.01 0.00 -1.01 0.00 0.00 55.97 54.97 2rq8 s LYS 79 Cb -0.07 -3.70 0.03 0.00 -1.01 0.00 0.00 37.83 33.08 2rq8 s LYS 79 CO 0.00 -0.36 -0.05 0.45 0.51 0.00 0.00 175.35 175.91 2rq8 s SER 80 N 1.66 1.90 -0.11 2.83 0.15 -0.88 -5.02 113.70 114.24 2rq8 s SER 80 Ca 0.15 -0.22 0.01 0.00 0.70 0.00 0.00 55.95 56.60 2rq8 s SER 80 Cb -0.16 -0.68 0.02 0.00 -1.71 0.00 0.00 66.02 63.49 2rq8 s SER 80 CO 0.11 -0.14 -0.13 0.00 1.20 0.00 0.00 173.24 174.28 2rq8 s ALA 81 N 1.74 1.55 0.25 5.45 0.00 -1.26 -1.19 121.76 128.30 2rq8 s ALA 81 Ca 0.04 -0.65 0.11 0.00 0.00 0.00 0.00 51.96 51.46 2rq8 s ALA 81 Cb -0.13 -0.83 -0.05 0.00 0.00 0.00 0.00 23.12 22.11 2rq8 s ALA 81 CO -0.06 -0.17 -0.20 0.00 0.00 0.00 0.00 175.76 175.32 2rq8 s ALA 82 N 1.18 2.62 0.13 0.00 0.00 -0.90 -4.96 121.76 119.82 2rq8 s ALA 82 Ca -0.04 -1.80 -0.18 0.00 0.00 0.00 0.00 51.96 49.95 2rq8 s ALA 82 Cb -0.14 -0.26 -0.07 0.00 0.00 0.00 0.00 23.12 22.65 2rq8 s ALA 82 CO -0.04 0.29 0.59 1.21 0.00 0.00 0.00 175.76 177.82 2rq8 s ASN 83 N -3.29 6.99 -0.22 0.00 3.84 -1.26 -0.80 114.94 120.19 2rq8 s ASN 83 Ca 0.27 1.23 0.01 0.00 0.21 0.00 0.00 52.86 54.58 2rq8 s ASN 83 Cb -0.05 -2.35 0.03 0.00 -0.55 0.00 0.00 41.25 38.33 2rq8 s ASN 83 CO 0.13 0.17 -0.14 -0.22 -2.79 0.00 0.00 177.10 174.25 2rq8 s LEU 84 N -1.55 2.76 -0.30 3.21 1.98 0.11 -3.05 118.68 121.83 2rq8 s LEU 84 Ca 0.34 -0.93 -0.10 0.00 -2.89 0.00 0.00 54.13 50.55 2rq8 s LEU 84 Cb -0.18 -1.54 -0.02 0.00 0.66 0.00 0.00 46.19 45.12 2rq8 s LEU 84 CO 0.20 -0.08 0.17 -0.75 -1.89 0.00 0.00 176.35 173.99 2rq8 s LYS 85 N 1.23 3.55 -0.08 1.98 2.20 -1.14 -2.58 119.74 124.91 2rq8 s LYS 85 Ca -0.00 -0.59 -0.23 0.00 -0.36 0.00 0.00 55.97 54.79 2rq8 s LYS 85 Cb -0.16 -3.61 -0.04 0.00 -1.51 0.00 0.00 37.83 32.51 2rq8 s LYS 85 CO -0.09 -0.34 0.68 0.08 -0.36 0.00 0.00 175.35 175.32 2rq8 s VAL 86 N 1.67 5.06 0.12 4.02 1.01 -1.26 -2.73 120.40 128.29 2rq8 s VAL 86 Ca 0.06 1.39 0.05 0.00 0.00 0.00 0.00 61.98 63.48 2rq8 s VAL 86 Cb -0.17 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 2rq8 s VAL 86 CO 0.08 0.25 0.07 -0.54 0.00 0.00 0.00 175.10 174.96 2rq8 s LYS 87 N 0.85 2.74 0.36 2.72 -0.14 -0.74 -4.90 119.74 120.62 2rq8 s LYS 87 Ca 0.36 -0.84 -0.25 0.00 -1.36 0.00 0.00 55.97 53.89 2rq8 s LYS 87 Cb -0.17 -2.61 -0.10 0.00 -1.68 0.00 0.00 37.83 33.27 2rq8 s LYS 87 CO 0.17 0.52 0.97 -2.00 -0.76 0.00 0.00 175.35 174.25 2rq8 s GLU 88 N -2.67 4.42 -0.77 1.68 2.56 -1.26 -0.92 118.70 121.74 2rq8 s GLU 88 Ca 0.29 1.34 -0.21 0.00 0.00 0.00 0.00 54.97 56.39 2rq8 s GLU 88 Cb -0.11 -2.63 0.10 0.00 2.00 0.00 0.00 34.13 33.49 2rq8 s GLU 88 CO 0.21 0.12 1.02 -0.51 -0.56 0.00 0.00 175.26 175.54 2rq8 s LEU 89 N -2.39 4.73 -0.07 2.70 1.43 -1.26 -4.84 118.68 118.97 2rq8 s LEU 89 Ca 0.54 -1.48 0.02 0.00 -1.03 0.00 0.00 54.13 52.18 2rq8 s LEU 89 Cb -0.18 -2.40 0.02 0.00 0.03 0.00 0.00 46.19 43.65 2rq8 s LEU 89 CO 0.23 -1.26 -0.11 -0.22 0.23 0.00 0.00 176.35 175.22 2rq8 s LEU 90 N 3.39 1.53 -0.10 1.79 0.20 -1.26 -5.14 118.68 119.10 2rq8 s LEU 90 Ca 0.26 -0.28 -0.02 0.00 0.69 0.00 0.00 54.13 54.78 2rq8 s LEU 90 Cb -0.12 -0.79 -0.03 0.00 -0.43 0.00 0.00 46.19 44.82 2rq8 s LEU 90 CO 0.01 -0.00 -0.01 -0.70 -0.29 0.00 0.00 176.35 175.36 2rq8 s GLU 91 N 0.87 3.13 0.61 1.98 2.56 -1.26 -5.12 118.70 121.48 2rq8 s GLU 91 Ca -0.11 -0.45 0.00 0.00 0.00 0.00 0.00 54.97 54.42 2rq8 s GLU 91 Cb -0.15 -2.81 0.07 0.00 2.00 0.00 0.00 34.13 33.24 2rq8 s GLU 91 CO 0.01 0.58 0.86 -1.01 -0.56 0.00 0.00 175.26 175.14 2rq8 s HIS 92 N -0.56 2.43 -0.18 5.30 3.76 -1.26 -5.05 115.29 119.73 2rq8 s HIS 92 Ca 0.09 -0.09 0.02 0.00 -0.15 0.00 0.00 55.06 54.93 2rq8 s HIS 92 Cb -0.12 -2.84 -0.12 0.00 1.11 0.00 0.00 32.58 30.61 2rq8 s HIS 92 CO 0.02 -1.18 -0.15 1.58 -0.85 0.00 0.00 174.74 174.16 2rq8 n HIS 93 N -2.53 0.00 -4.52 1.40 -0.00 -1.26 -5.04 115.22 103.27 2rq8 n HIS 93 Ca 0.10 0.00 -0.25 0.00 0.46 0.00 0.00 57.72 58.03 2rq8 n HIS 93 Cb 0.60 -0.69 -0.10 0.00 -0.12 0.00 0.00 29.99 29.67 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 -2.36 2.31 0.05 1.57 2.46 -1.26 -5.16 115.29 112.90 2rq8 s HIS 94 Ca -0.24 -0.56 -0.00 0.00 0.47 0.00 0.00 55.06 54.73 2rq8 s HIS 94 Cb 0.06 -1.35 -0.04 0.00 -0.13 0.00 0.00 32.58 31.12 2rq8 s HIS 94 CO 0.42 0.50 -0.04 -1.01 -2.47 0.00 0.00 174.74 172.15 2rq8 s HIS 95 N -2.72 0.55 -0.45 3.88 3.76 -1.26 -5.12 115.29 113.93 2rq8 s HIS 95 Ca 0.32 -0.98 -0.23 0.00 -0.15 0.00 0.00 55.06 54.02 2rq8 s HIS 95 Cb 0.03 -0.39 0.03 0.00 1.11 0.00 0.00 32.58 33.36 2rq8 s HIS 95 CO 0.16 -0.32 0.80 -1.58 -0.85 0.00 0.00 174.74 172.94 2rq8 s HIS 96 N -3.57 2.99 -2.53 1.40 5.65 -1.26 -5.30 115.29 112.67 2rq8 s HIS 96 Ca 0.05 0.19 0.20 0.00 0.25 0.00 0.00 55.06 55.75 2rq8 s HIS 96 Cb 0.05 -3.69 0.16 0.00 -1.18 0.00 0.00 32.58 27.93 2rq8 s HIS 96 CO -0.08 -0.99 1.14 0.72 -0.65 0.00 0.00 174.74 174.88