#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rq8 s LEU 1 N 0.00 4.48 -0.30 4.03 2.01 -1.26 -5.06 118.68 122.58 2rq8 s LEU 1 Ca 0.00 -1.71 -0.33 0.00 0.01 0.00 0.00 54.13 52.10 2rq8 s LEU 1 Cb 0.00 -1.72 -0.10 0.00 0.01 0.00 0.00 46.19 44.38 2rq8 s LEU 1 CO 0.00 -0.37 2.19 -0.38 1.01 0.00 0.00 176.35 178.79 2rq8 n ILE 2 N 4.52 0.25 -4.96 -0.59 2.08 -1.26 -4.94 119.36 114.47 2rq8 n ILE 2 Ca -0.06 -0.31 -0.31 0.00 0.56 0.00 0.00 62.75 62.63 2rq8 n ILE 2 Cb 0.42 -1.91 -0.17 0.00 -0.75 0.00 0.00 39.64 37.23 2rq8 n ILE 2 CO 0.00 0.00 0.00 -1.83 0.56 0.00 0.00 176.55 175.28 2rq8 s GLU 3 N 6.16 2.81 0.33 0.38 -1.05 -1.26 -5.04 118.70 121.03 2rq8 s GLU 3 Ca 1.06 -0.79 -0.29 0.00 -0.15 0.00 0.00 54.97 54.81 2rq8 s GLU 3 Cb -0.70 -2.19 -0.10 0.00 -0.44 0.00 0.00 34.13 30.70 2rq8 s GLU 3 CO 0.45 0.10 1.34 0.08 0.95 0.00 0.00 175.26 178.18 2rq8 s VAL 4 N 0.54 2.63 -0.23 1.83 1.01 -1.26 -4.45 120.40 120.47 2rq8 s VAL 4 Ca -0.15 0.62 0.10 0.00 0.00 0.00 0.00 61.98 62.55 2rq8 s VAL 4 Cb -0.17 -3.40 -0.21 0.00 0.00 0.00 0.00 36.38 32.61 2rq8 s VAL 4 CO 0.05 0.14 -0.09 1.21 0.00 0.00 0.00 175.10 176.42 2rq8 n GLU 5 N 0.88 0.67 -3.25 2.72 4.07 0.85 -4.82 120.64 121.75 2rq8 n GLU 5 Ca 0.01 0.07 -0.20 0.00 -0.06 0.00 0.00 57.16 56.98 2rq8 n GLU 5 Cb 0.41 -1.52 -0.07 0.00 -0.06 0.00 0.00 31.44 30.20 2rq8 n GLU 5 CO 0.00 0.00 0.00 0.21 -0.06 0.00 0.00 177.13 177.28 2rq8 s LYS 6 N -2.51 0.87 0.12 5.31 2.20 -1.08 -4.92 119.74 119.73 2rq8 s LYS 6 Ca -0.23 -1.62 -0.02 0.00 -0.36 0.00 0.00 55.97 53.74 2rq8 s LYS 6 Cb 0.08 -0.99 0.03 0.00 -1.51 0.00 0.00 37.83 35.44 2rq8 s LYS 6 CO 0.71 -1.33 0.11 -0.35 -0.36 0.00 0.00 175.35 174.13 2rq8 n PRO 7 N 3.18 -1.24 -3.61 4.03 -0.04 -1.26 -1.91 135.00 134.15 2rq8 n PRO 7 Ca 0.23 -0.18 -0.38 0.00 -0.04 0.00 0.00 63.50 63.13 2rq8 n PRO 7 Cb 0.49 -0.17 -0.07 0.00 -0.04 0.00 0.00 33.50 33.71 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 1.43 -1.26 -4.89 118.68 121.12 2rq8 s LEU 8 Ca 0.07 -3.23 0.15 0.00 -1.03 0.00 0.00 54.13 50.09 2rq8 s LEU 8 Cb -0.01 -1.94 0.69 0.00 0.03 0.00 0.00 46.19 44.96 2rq8 s LEU 8 CO 0.06 -0.32 1.42 -0.81 0.23 0.00 0.00 176.35 176.93 2rq8 n PRO 9 N 3.04 0.13 0.00 1.29 -0.04 -1.26 -4.46 135.00 133.70 2rq8 n PRO 9 Ca 0.15 0.19 0.00 0.00 -0.04 0.00 0.00 63.50 63.80 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 0.92 3.88 0.55 0.00 -1.26 -4.87 105.19 104.39 2rq8 n GLY 10 Ca 0.06 0.54 -0.36 0.00 0.00 0.00 0.00 46.02 46.26 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 5.48 -0.08 1.61 1.01 -1.12 -5.02 120.40 122.28 2rq8 s VAL 11 Ca 0.00 0.15 0.04 0.00 0.00 0.00 0.00 61.98 62.17 2rq8 s VAL 11 Cb 0.00 -3.44 -0.01 0.00 0.00 0.00 0.00 36.38 32.93 2rq8 s VAL 11 CO 0.00 0.55 -0.21 -0.70 0.00 0.00 0.00 175.10 174.74 2rq8 s GLU 12 N -1.23 2.82 0.22 2.72 -6.30 -1.26 -1.13 118.70 114.55 2rq8 s GLU 12 Ca 0.18 -0.83 -0.11 0.00 -2.50 0.00 0.00 54.97 51.71 2rq8 s GLU 12 Cb -0.12 -2.32 -0.01 0.00 0.00 0.00 0.00 34.13 31.69 2rq8 s GLU 12 CO 0.07 0.33 0.41 0.14 0.02 0.00 0.00 175.26 176.24 2rq8 s VAL 13 N -0.02 0.01 0.66 3.70 -7.23 -1.00 -4.81 120.40 111.72 2rq8 s VAL 13 Ca -0.07 -1.40 -0.04 0.00 -1.81 0.00 0.00 61.98 58.66 2rq8 s VAL 13 Cb -0.15 -2.11 0.06 0.00 0.56 0.00 0.00 36.38 34.74 2rq8 s VAL 13 CO 0.05 -0.07 0.95 -0.36 -0.31 0.00 0.00 175.10 175.36 2rq8 s PHE 14 N -4.01 2.85 -0.33 2.82 0.08 -1.26 -0.15 117.98 117.98 2rq8 s PHE 14 Ca 0.22 0.28 -0.29 0.00 0.12 0.00 0.00 56.93 57.26 2rq8 s PHE 14 Cb 0.01 -3.07 0.01 0.00 -0.57 0.00 0.00 43.02 39.40 2rq8 s PHE 14 CO 0.07 -1.27 1.23 0.08 -0.10 0.00 0.00 175.22 175.22 2rq8 s VAL 15 N -3.11 4.23 -1.30 -0.44 1.01 -0.84 -3.87 120.40 116.09 2rq8 s VAL 15 Ca 0.60 1.38 -0.06 0.00 0.00 0.00 0.00 61.98 63.89 2rq8 s VAL 15 Cb -0.10 -4.28 -0.00 0.00 0.00 0.00 0.00 36.38 31.99 2rq8 s VAL 15 CO 0.43 -0.56 0.59 0.61 0.00 0.00 0.00 175.10 176.17 2rq8 n GLY 16 N 4.30 -0.47 0.00 4.51 0.00 -1.25 -4.90 105.19 107.39 2rq8 n GLY 16 Ca 0.14 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.40 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 -4.30 0.00 -4.32 1.61 -0.58 -1.25 -4.45 120.64 107.35 2rq8 n GLU 17 Ca -0.24 0.00 -0.20 0.00 -0.42 0.00 0.00 57.16 56.30 2rq8 n GLU 17 Cb 0.66 0.00 -0.13 0.00 -0.57 0.00 0.00 31.44 31.40 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 0.35 1.14 -0.26 2.62 2.01 -1.26 -2.54 115.64 117.70 2rq8 s THR 18 Ca 0.00 -1.09 -0.00 0.00 0.31 0.00 0.00 61.69 60.91 2rq8 s THR 18 Cb 0.00 -1.05 0.08 0.00 0.01 0.00 0.00 72.50 71.54 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 -0.96 1.70 -0.21 7.40 0.00 0.97 -4.03 121.76 126.62 2rq8 s ALA 19 Ca 0.01 -1.42 -0.09 0.00 0.00 0.00 0.00 51.96 50.46 2rq8 s ALA 19 Cb -0.08 -1.49 -0.04 0.00 0.00 0.00 0.00 23.12 21.51 2rq8 s ALA 19 CO 0.02 -1.38 0.10 -1.01 0.00 0.00 0.00 175.76 173.49 2rq8 s HIS 20 N 1.52 3.26 -0.08 0.00 3.76 -1.26 -0.95 115.29 121.54 2rq8 s HIS 20 Ca 0.02 0.08 -0.01 0.00 -0.15 0.00 0.00 55.06 55.00 2rq8 s HIS 20 Cb -0.18 -2.18 0.03 0.00 1.11 0.00 0.00 32.58 31.36 2rq8 s HIS 20 CO -0.13 0.06 -0.04 -0.06 -0.85 0.00 0.00 174.74 173.72 2rq8 s PHE 21 N 0.80 1.01 -0.03 1.40 0.08 -1.07 -4.87 117.98 115.30 2rq8 s PHE 21 Ca 0.05 -0.40 0.01 0.00 0.12 0.00 0.00 56.93 56.72 2rq8 s PHE 21 Cb -0.13 -0.95 0.02 0.00 -0.57 0.00 0.00 43.02 41.38 2rq8 s PHE 21 CO 0.02 -0.38 -0.05 -2.00 -0.10 0.00 0.00 175.22 172.71 2rq8 s GLU 22 N 1.68 0.78 0.17 0.44 2.12 -1.26 -2.03 118.70 120.60 2rq8 s GLU 22 Ca 0.02 -0.15 -0.03 0.00 0.36 0.00 0.00 54.97 55.17 2rq8 s GLU 22 Cb -0.13 -0.78 -0.03 0.00 0.26 0.00 0.00 34.13 33.45 2rq8 s GLU 22 CO -0.05 -0.02 0.16 0.96 -0.54 0.00 0.00 175.26 175.77 2rq8 s ILE 23 N 0.63 0.05 -0.07 -3.70 -0.00 -1.24 -4.80 121.20 112.07 2rq8 s ILE 23 Ca -0.08 -1.82 0.05 0.00 -0.00 0.00 0.00 60.65 58.79 2rq8 s ILE 23 Cb -0.12 -2.21 -0.00 0.00 -0.00 0.00 0.00 42.46 40.13 2rq8 s ILE 23 CO 0.00 -0.21 -0.22 -1.61 -0.00 0.00 0.00 174.94 172.91 2rq8 s GLU 24 N -4.08 2.50 0.00 0.37 8.01 -0.80 -3.16 118.70 121.54 2rq8 s GLU 24 Ca 0.29 -0.78 0.10 0.00 0.01 0.00 0.00 54.97 54.59 2rq8 s GLU 24 Cb 0.06 -2.01 -0.06 0.00 -4.31 0.00 0.00 34.13 27.81 2rq8 s GLU 24 CO 0.06 0.24 0.52 1.28 0.01 0.00 0.00 175.26 177.37 2rq8 n LEU 25 N 3.31 0.81 -2.19 1.80 7.99 -1.21 -0.11 117.00 127.40 2rq8 n LEU 25 Ca -0.19 -0.62 -0.14 0.00 -0.01 0.00 0.00 56.01 55.06 2rq8 n LEU 25 Cb 0.52 0.00 -0.02 0.00 -0.11 0.00 0.00 43.42 43.82 2rq8 n LEU 25 CO 0.26 0.17 -0.16 -0.24 -1.51 0.00 0.00 177.39 175.91 2rq8 n SER 26 N -0.80 -4.07 -3.14 -1.43 2.88 -1.26 -4.43 113.62 101.37 2rq8 n SER 26 Ca 0.03 0.20 -0.12 0.00 -1.33 0.00 0.00 58.87 57.65 2rq8 n SER 26 Cb 0.18 -3.51 -0.04 0.00 -0.75 0.00 0.00 64.21 60.09 2rq8 n SER 26 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 2rq8 s GLU 27 N -4.58 0.88 0.00 -1.46 2.56 -1.26 -4.98 118.70 109.86 2rq8 s GLU 27 Ca 0.00 -1.14 0.15 0.00 0.00 0.00 0.00 54.97 53.98 2rq8 s GLU 27 Cb 0.00 -0.53 0.74 0.00 2.00 0.00 0.00 34.13 36.33 2rq8 s GLU 27 CO 0.00 -1.29 1.41 -0.35 -0.56 0.00 0.00 175.26 174.47 2rq8 n PRO 28 N 3.49 0.20 -0.98 4.30 -0.04 -1.26 -3.06 135.00 137.65 2rq8 n PRO 28 Ca 0.18 0.15 -0.21 0.00 -0.04 0.00 0.00 63.50 63.58 2rq8 n PRO 28 Cb 0.51 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.56 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 -1.30 5.50 -1.35 3.54 8.00 -1.26 -4.90 116.55 124.78 2rq8 n ASP 29 Ca 0.07 -3.26 -0.03 0.00 0.71 0.00 0.00 54.79 52.28 2rq8 n ASP 29 Cb 0.12 -0.90 -0.01 0.00 -0.02 0.00 0.00 41.12 40.31 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 -0.38 0.00 -4.11 2.53 0.24 -1.17 -5.17 118.33 110.27 2rq8 n VAL 30 Ca 0.43 -0.32 -0.09 0.00 -2.04 0.00 0.00 64.34 62.32 2rq8 n VAL 30 Cb 0.92 0.19 -0.10 0.00 -1.47 0.00 0.00 33.84 33.38 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 -4.39 0.74 0.23 6.34 2.46 -1.26 -5.04 115.29 114.38 2rq8 s HIS 31 Ca 0.05 -1.13 -0.11 0.00 0.47 0.00 0.00 55.06 54.34 2rq8 s HIS 31 Cb -0.00 -0.40 -0.01 0.00 -0.13 0.00 0.00 32.58 32.04 2rq8 s HIS 31 CO 0.04 -0.53 0.41 0.20 -2.47 0.00 0.00 174.74 172.38 2rq8 s GLY 32 N -3.02 0.65 -0.00 1.59 0.00 -1.26 -0.29 107.32 104.99 2rq8 s GLY 32 Ca 0.21 -0.98 -0.08 0.00 0.00 0.00 0.00 44.72 43.86 2rq8 s GLY 32 CO -0.00 -0.75 0.16 -0.86 0.00 0.00 0.00 173.10 171.64 2rq8 s GLN 33 N -4.03 0.48 -0.27 2.90 -2.07 0.70 -4.98 119.66 112.40 2rq8 s GLN 33 Ca 0.24 -0.33 -0.08 0.00 -1.82 0.00 0.00 55.36 53.37 2rq8 s GLN 33 Cb 0.01 0.20 -0.03 0.00 -1.09 0.00 0.00 33.01 32.10 2rq8 s GLN 33 CO 0.08 -0.11 0.11 -1.58 -1.32 0.00 0.00 175.29 172.47 2rq8 s TRP 34 N -1.26 3.13 -0.07 9.60 0.52 -1.26 -0.96 118.94 128.64 2rq8 s TRP 34 Ca -0.13 -0.34 0.01 0.00 0.02 0.00 0.00 56.10 55.66 2rq8 s TRP 34 Cb -0.07 -2.29 -0.03 0.00 -1.15 0.00 0.00 33.47 29.94 2rq8 s TRP 34 CO 0.02 -0.34 -0.09 0.21 0.02 0.00 0.00 176.95 176.78 2rq8 s LYS 35 N 1.64 2.75 0.01 4.98 2.20 0.95 -3.09 119.74 129.18 2rq8 s LYS 35 Ca 0.06 -0.58 0.01 0.00 -0.36 0.00 0.00 55.97 55.10 2rq8 s LYS 35 Cb -0.16 -2.56 -0.01 0.00 -1.51 0.00 0.00 37.83 33.60 2rq8 s LYS 35 CO 0.06 0.63 -0.05 -0.51 -0.36 0.00 0.00 175.35 175.11 2rq8 s LEU 36 N -0.71 2.10 0.65 5.43 2.01 -1.26 -2.58 118.68 124.31 2rq8 s LEU 36 Ca 0.11 -0.24 0.41 0.00 0.01 0.00 0.00 54.13 54.42 2rq8 s LEU 36 Cb -0.11 -0.16 2.27 0.00 0.01 0.00 0.00 46.19 48.20 2rq8 s LEU 36 CO 0.01 -0.05 2.33 0.50 1.01 0.00 0.00 176.35 180.15 2rq8 h LYS 37 N 5.49 0.00 0.00 1.70 1.63 -1.98 -3.12 116.57 120.29 2rq8 h LYS 37 Ca -0.30 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.50 2rq8 h LYS 37 Cb 1.20 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.83 2rq8 h LYS 37 CO 0.47 0.00 -0.15 0.78 -3.45 0.00 0.00 179.45 177.10 2rq8 h GLY 38 N 0.11 0.00 -1.44 5.01 0.00 -1.95 -3.47 103.07 101.32 2rq8 h GLY 38 Ca -0.00 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.82 2rq8 h GLY 38 CO 0.00 0.00 0.37 1.20 0.00 0.00 0.00 176.54 178.11 2rq8 s GLN 39 N -1.67 3.10 -0.01 4.80 1.11 -1.18 -5.00 119.66 120.82 2rq8 s GLN 39 Ca -0.04 1.00 -0.25 0.00 0.01 0.00 0.00 55.36 56.08 2rq8 s GLN 39 Cb 0.01 -2.01 -0.19 0.00 -1.01 0.00 0.00 33.01 29.81 2rq8 s GLN 39 CO 0.06 -0.97 1.29 -1.00 0.01 0.00 0.00 175.29 174.68 2rq8 h PRO 40 N -0.37 0.08 0.00 2.91 0.13 -1.92 -3.39 132.00 129.45 2rq8 h PRO 40 Ca -0.45 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 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 0.54 0.00 1.28 -0.23 0.00 0.00 178.00 180.17 2rq8 n LEU 41 N -4.79 0.00 -4.91 1.56 4.77 -1.26 -4.89 117.00 107.49 2rq8 n LEU 41 Ca -0.08 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.63 2rq8 n LEU 41 Cb 0.27 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.38 2rq8 n LEU 41 CO 0.35 0.00 0.54 0.00 -1.33 0.00 0.00 177.39 176.95 2rq8 s ALA 42 N -1.66 3.28 -0.80 -1.18 0.00 -1.18 -4.36 121.76 115.86 2rq8 s ALA 42 Ca 0.00 -0.55 -0.03 0.00 0.00 0.00 0.00 51.96 51.38 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 0.00 -0.68 0.69 0.00 0.00 0.00 0.00 175.76 175.77 2rq8 n ALA 43 N -2.54 -1.00 -0.95 0.00 0.00 -1.26 -4.99 120.51 109.77 2rq8 n ALA 43 Ca 0.04 0.13 -0.30 0.00 0.00 0.00 0.00 53.44 53.30 2rq8 n ALA 43 Cb 0.56 -2.81 0.15 0.00 0.00 0.00 0.00 19.45 17.35 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 -3.48 3.33 0.00 0.00 0.01 -1.26 -4.89 113.70 107.41 2rq8 s SER 44 Ca 0.21 1.88 0.14 0.00 1.31 0.00 0.00 55.95 59.49 2rq8 s SER 44 Cb -0.09 -2.46 0.69 0.00 0.21 0.00 0.00 66.02 64.37 2rq8 s SER 44 CO 0.45 -2.79 1.42 -0.81 0.41 0.00 0.00 173.24 171.93 2rq8 n PRO 45 N -4.01 0.12 -0.06 12.44 -0.04 -1.26 -2.06 135.00 140.13 2rq8 n PRO 45 Ca 0.09 0.19 0.06 0.00 -0.04 0.00 0.00 63.50 63.80 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 -1.37 2.28 -4.23 3.54 8.00 -1.26 -5.04 116.55 118.47 2rq8 n ASP 46 Ca 0.06 -2.59 -0.13 0.00 0.71 0.00 0.00 54.79 52.84 2rq8 n ASP 46 Cb 0.14 -0.24 -0.10 0.00 -0.02 0.00 0.00 41.12 40.89 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 -3.98 0.70 -0.32 0.00 0.41 -1.15 -4.54 118.70 109.82 2rq8 s GLU 48 Ca 0.26 -0.01 0.00 0.00 -0.41 0.00 0.00 54.97 54.81 2rq8 s GLU 48 Cb 0.07 -0.85 0.07 0.00 -1.78 0.00 0.00 34.13 31.64 2rq8 s GLU 48 CO 0.05 -0.17 0.02 0.42 -0.49 0.00 0.00 175.26 175.10 2rq8 s ILE 49 N 1.29 2.75 -0.28 -1.63 1.01 -1.26 -1.99 121.20 121.09 2rq8 s ILE 49 Ca -0.05 -1.72 -0.02 0.00 0.00 0.00 0.00 60.65 58.85 2rq8 s ILE 49 Cb -0.13 -2.72 0.04 0.00 0.01 0.00 0.00 42.46 39.65 2rq8 s ILE 49 CO -0.02 -0.28 -0.01 -0.63 0.00 0.00 0.00 174.94 174.00 2rq8 s ILE 50 N 1.14 3.09 -0.57 2.92 -1.09 -0.64 -4.99 121.20 121.06 2rq8 s ILE 50 Ca -0.01 -1.17 -0.18 0.00 -2.23 0.00 0.00 60.65 57.06 2rq8 s ILE 50 Cb -0.20 -2.68 0.10 0.00 -1.58 0.00 0.00 42.46 38.09 2rq8 s ILE 50 CO -0.04 0.02 0.66 -0.70 -1.23 0.00 0.00 174.94 173.65 2rq8 s GLU 51 N 1.31 3.05 -0.30 2.79 2.12 -1.26 -1.68 118.70 124.73 2rq8 s GLU 51 Ca -0.02 -1.29 -0.12 0.00 0.36 0.00 0.00 54.97 53.90 2rq8 s GLU 51 Cb -0.18 -4.24 -0.04 0.00 0.26 0.00 0.00 34.13 29.93 2rq8 s GLU 51 CO -0.02 -1.44 0.21 0.34 -0.54 0.00 0.00 175.26 173.81 2rq8 s ASP 52 N 3.43 6.04 0.78 -1.70 -1.08 0.04 -4.91 116.67 119.27 2rq8 s ASP 52 Ca 0.11 -0.11 0.00 0.00 -0.52 0.00 0.00 52.55 52.03 2rq8 s ASP 52 Cb -0.24 -2.13 0.00 0.00 -1.46 0.00 0.00 42.92 39.09 2rq8 s ASP 52 CO 0.07 -0.11 0.00 0.61 0.52 0.00 0.00 175.17 176.26 2rq8 n GLY 53 N 5.06 0.32 0.00 2.66 0.00 -1.26 -0.57 105.19 111.40 2rq8 n GLY 53 Ca -0.13 0.67 0.01 0.00 0.00 0.00 0.00 46.02 46.56 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 4.96 -3.46 1.61 0.00 -1.26 -4.21 118.16 115.81 2rq8 n LYS 54 Ca 0.00 -0.00 -0.31 0.00 -0.00 0.00 0.00 58.31 57.99 2rq8 n LYS 54 Cb 0.00 -0.68 -0.05 0.00 -0.00 0.00 0.00 35.03 34.31 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 -1.36 3.74 -0.11 -1.58 0.00 0.27 -3.30 119.74 117.39 2rq8 s LYS 55 Ca 0.00 0.16 -0.01 0.00 0.00 0.00 0.00 55.97 56.12 2rq8 s LYS 55 Cb 0.01 -2.69 0.03 0.00 0.00 0.00 0.00 37.83 35.18 2rq8 s LYS 55 CO 0.05 0.33 -0.07 -1.01 0.00 0.00 0.00 175.35 174.66 2rq8 s HIS 56 N -1.82 1.41 -0.15 1.78 3.76 -1.19 -0.78 115.29 118.29 2rq8 s HIS 56 Ca 0.46 -0.70 -0.06 0.00 -0.15 0.00 0.00 55.06 54.61 2rq8 s HIS 56 Cb -0.11 -1.19 -0.04 0.00 1.11 0.00 0.00 32.58 32.35 2rq8 s HIS 56 CO 0.23 -0.50 0.04 -1.50 -0.85 0.00 0.00 174.74 172.16 2rq8 s ILE 57 N 1.73 4.59 -0.12 0.60 1.10 -0.68 -3.64 121.20 124.79 2rq8 s ILE 57 Ca 0.05 -0.11 -0.01 0.00 -0.51 0.00 0.00 60.65 60.07 2rq8 s ILE 57 Cb -0.13 -3.03 0.03 0.00 0.15 0.00 0.00 42.46 39.48 2rq8 s ILE 57 CO -0.08 0.51 -0.07 -0.22 -2.11 0.00 0.00 174.94 172.97 2rq8 s LEU 58 N 0.02 1.18 -0.35 8.50 1.98 -0.86 -1.63 118.68 127.53 2rq8 s LEU 58 Ca 0.05 -0.33 -0.12 0.00 -2.89 0.00 0.00 54.13 50.83 2rq8 s LEU 58 Cb -0.12 -0.82 -0.01 0.00 0.66 0.00 0.00 46.19 45.90 2rq8 s LEU 58 CO 0.01 -0.13 0.23 -0.63 -1.89 0.00 0.00 176.35 173.94 2rq8 s ILE 59 N 1.72 5.09 -0.22 6.68 1.01 -0.84 -2.60 121.20 132.04 2rq8 s ILE 59 Ca 0.05 -0.38 -0.04 0.00 0.00 0.00 0.00 60.65 60.28 2rq8 s ILE 59 Cb -0.13 -3.67 -0.00 0.00 0.01 0.00 0.00 42.46 38.67 2rq8 s ILE 59 CO -0.08 -0.06 -0.05 -0.22 0.00 0.00 0.00 174.94 174.53 2rq8 s LEU 60 N 1.68 2.90 0.05 2.97 0.20 -0.13 -2.95 118.68 123.41 2rq8 s LEU 60 Ca 0.05 -0.44 -0.14 0.00 0.69 0.00 0.00 54.13 54.29 2rq8 s LEU 60 Cb -0.18 -1.72 -0.06 0.00 -0.43 0.00 0.00 46.19 43.80 2rq8 s LEU 60 CO 0.09 -0.03 0.45 -1.00 -0.29 0.00 0.00 176.35 175.58 2rq8 s HIS 61 N 1.46 3.69 -0.33 5.38 3.76 -1.26 -0.02 115.29 127.97 2rq8 s HIS 61 Ca 0.05 1.00 -0.11 0.00 -0.15 0.00 0.00 55.06 55.85 2rq8 s HIS 61 Cb -0.14 -2.31 0.01 0.00 1.11 0.00 0.00 32.58 31.26 2rq8 s HIS 61 CO -0.04 0.58 0.42 0.09 -0.85 0.00 0.00 174.74 174.94 2rq8 n ASN 62 N 1.45 -6.69 -3.86 1.40 3.02 -1.05 -4.94 115.26 104.57 2rq8 n ASN 62 Ca -0.11 0.50 -0.37 0.00 -0.03 0.00 0.00 54.58 54.57 2rq8 n ASN 62 Cb 0.52 -4.46 -0.03 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 s GLN 64 N -2.34 3.32 -0.02 0.00 -0.21 -1.26 -3.84 119.66 115.32 2rq8 s GLN 64 Ca 0.33 -0.56 0.21 0.00 0.02 0.00 0.00 55.36 55.36 2rq8 s GLN 64 Cb 0.05 -3.89 0.35 0.00 1.00 0.00 0.00 33.01 30.52 2rq8 s GLN 64 CO 0.01 -0.72 1.14 1.28 -2.12 0.00 0.00 175.29 174.88 2rq8 n LEU 65 N 5.56 0.63 0.00 2.90 4.32 -1.26 -5.06 117.00 124.08 2rq8 n LEU 65 Ca -0.07 -2.06 0.00 0.00 -0.02 0.00 0.00 56.01 53.86 2rq8 n LEU 65 Cb 0.48 0.02 0.00 0.00 -1.62 0.00 0.00 43.42 42.30 2rq8 n LEU 65 CO 0.44 0.72 0.00 0.61 -1.22 0.00 0.00 177.39 177.94 2rq8 n GLY 66 N 0.34 1.42 0.01 -0.72 0.00 -1.26 -3.77 105.19 101.21 2rq8 n GLY 66 Ca -0.00 -0.50 0.01 0.00 0.00 0.00 0.00 46.02 45.53 2rq8 n GLY 66 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2rq8 n MET 67 N 0.00 1.11 -3.83 1.61 0.00 -1.26 -4.97 117.12 109.78 2rq8 n MET 67 Ca 0.00 -0.04 -0.10 0.00 0.00 0.00 0.00 57.70 57.57 2rq8 n MET 67 Cb 0.00 -1.14 -0.05 0.00 0.00 0.00 0.00 33.22 32.03 2rq8 n MET 67 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 2rq8 s THR 68 N -2.33 0.04 0.11 3.17 -4.23 -1.25 -2.30 115.64 108.85 2rq8 s THR 68 Ca -0.02 -1.02 0.01 0.00 -1.18 0.00 0.00 61.69 59.48 2rq8 s THR 68 Cb 0.03 -1.68 -0.04 0.00 1.34 0.00 0.00 72.50 72.15 2rq8 s THR 68 CO 0.24 -0.19 -0.05 -0.83 -0.54 0.00 0.00 174.62 173.25 2rq8 s GLY 69 N -2.91 0.82 -0.32 3.99 0.00 -0.71 -4.61 107.32 103.57 2rq8 s GLY 69 Ca 0.12 -1.38 -0.06 0.00 0.00 0.00 0.00 44.72 43.40 2rq8 s GLY 69 CO -0.02 -1.45 0.09 1.85 0.00 0.00 0.00 173.10 173.57 2rq8 s GLU 70 N -3.87 2.73 -0.29 2.90 2.12 -1.26 -0.03 118.70 121.00 2rq8 s GLU 70 Ca 0.14 -1.10 -0.14 0.00 0.36 0.00 0.00 54.97 54.23 2rq8 s GLU 70 Cb 0.06 -3.40 -0.03 0.00 0.26 0.00 0.00 34.13 31.01 2rq8 s GLU 70 CO -0.04 -0.60 0.33 0.08 -0.54 0.00 0.00 175.26 174.49 2rq8 s VAL 71 N 1.41 5.21 -0.17 3.70 1.01 -0.77 -4.64 120.40 126.15 2rq8 s VAL 71 Ca -0.01 0.34 -0.03 0.00 0.00 0.00 0.00 61.98 62.28 2rq8 s VAL 71 Cb -0.19 -3.69 -0.02 0.00 0.00 0.00 0.00 36.38 32.49 2rq8 s VAL 71 CO 0.02 0.11 -0.07 -0.44 0.00 0.00 0.00 175.10 174.73 2rq8 s SER 72 N 1.69 4.38 0.01 3.32 0.01 -1.07 -1.66 113.70 120.39 2rq8 s SER 72 Ca 0.12 -0.29 0.03 0.00 1.31 0.00 0.00 55.95 57.12 2rq8 s SER 72 Cb -0.16 -1.72 -0.01 0.00 0.21 0.00 0.00 66.02 64.34 2rq8 s SER 72 CO 0.11 0.10 -0.09 0.12 0.41 0.00 0.00 173.24 173.88 2rq8 s PHE 73 N 0.79 0.81 -0.14 2.43 5.36 0.73 -0.03 117.98 127.93 2rq8 s PHE 73 Ca -0.02 -0.26 0.01 0.00 -0.96 0.00 0.00 56.93 55.70 2rq8 s PHE 73 Cb -0.15 -0.50 0.02 0.00 -0.34 0.00 0.00 43.02 42.05 2rq8 s PHE 73 CO 0.02 -0.01 -0.15 -1.14 -1.46 0.00 0.00 175.22 172.47 2rq8 s GLN 74 N -0.69 2.36 -0.47 10.12 -0.44 -0.13 -1.26 119.66 129.14 2rq8 s GLN 74 Ca -0.00 -0.59 0.01 0.00 -2.50 0.00 0.00 55.36 52.28 2rq8 s GLN 74 Cb -0.06 -2.10 0.13 0.00 -1.64 0.00 0.00 33.01 29.34 2rq8 s GLN 74 CO 0.00 -0.18 0.24 0.00 0.50 0.00 0.00 175.29 175.85 2rq8 s ALA 75 N 1.32 3.24 -0.56 1.58 0.00 -1.18 -0.21 121.76 125.95 2rq8 s ALA 75 Ca 0.02 -2.91 -0.02 0.00 0.00 0.00 0.00 51.96 49.05 2rq8 s ALA 75 Cb -0.13 -2.30 0.00 0.00 0.00 0.00 0.00 23.12 20.69 2rq8 s ALA 75 CO -0.08 -1.91 0.55 0.00 0.00 0.00 0.00 175.76 174.32 2rq8 n ALA 76 N 3.84 -2.40 -2.43 0.00 0.00 0.60 -3.14 120.51 116.99 2rq8 n ALA 76 Ca 0.04 0.13 -0.12 0.00 0.00 0.00 0.00 53.44 53.48 2rq8 n ALA 76 Cb 0.38 -1.45 -0.01 0.00 0.00 0.00 0.00 19.45 18.38 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 -1.45 -3.82 -4.63 0.00 3.02 -1.26 -4.94 115.26 102.18 2rq8 n ASN 77 Ca 0.01 0.20 -0.33 0.00 -0.03 0.00 0.00 54.58 54.44 2rq8 n ASN 77 Cb 0.48 -3.26 -0.10 0.00 -0.61 0.00 0.00 39.78 36.29 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 -2.59 3.88 -0.31 3.41 2.01 -1.19 -5.10 115.64 115.76 2rq8 s THR 78 Ca 0.00 -0.59 -0.16 0.00 0.31 0.00 0.00 61.69 61.25 2rq8 s THR 78 Cb 0.00 -2.67 -0.02 0.00 0.01 0.00 0.00 72.50 69.82 2rq8 s THR 78 CO 0.00 0.47 0.43 -0.54 -0.69 0.00 0.00 174.62 174.28 2rq8 s LYS 79 N -1.24 3.81 -0.08 4.92 3.01 -1.26 -3.08 119.74 125.82 2rq8 s LYS 79 Ca 0.16 -0.08 -0.01 0.00 -1.01 0.00 0.00 55.97 55.04 2rq8 s LYS 79 Cb -0.11 -3.73 0.03 0.00 -1.01 0.00 0.00 37.83 33.00 2rq8 s LYS 79 CO 0.06 -0.44 -0.04 -1.12 0.51 0.00 0.00 175.35 174.32 2rq8 s SER 80 N 1.68 1.75 -0.01 2.83 0.01 -0.39 -5.01 113.70 114.57 2rq8 s SER 80 Ca 0.16 -0.18 0.01 0.00 1.31 0.00 0.00 55.95 57.25 2rq8 s SER 80 Cb -0.16 -0.61 -0.00 0.00 0.21 0.00 0.00 66.02 65.46 2rq8 s SER 80 CO 0.11 -0.14 -0.04 0.00 0.41 0.00 0.00 173.24 173.58 2rq8 s ALA 81 N 1.69 0.38 0.07 1.44 0.00 -1.26 -0.19 121.76 123.89 2rq8 s ALA 81 Ca 0.02 -0.18 -0.05 0.00 0.00 0.00 0.00 51.96 51.75 2rq8 s ALA 81 Cb -0.13 -0.11 -0.02 0.00 0.00 0.00 0.00 23.12 22.86 2rq8 s ALA 81 CO -0.05 0.09 0.08 0.00 0.00 0.00 0.00 175.76 175.88 2rq8 s ALA 82 N -0.05 0.12 0.09 0.00 0.00 -0.67 -4.91 121.76 116.35 2rq8 s ALA 82 Ca 0.01 -0.89 -0.07 0.00 0.00 0.00 0.00 51.96 51.01 2rq8 s ALA 82 Cb -0.02 0.37 -0.05 0.00 0.00 0.00 0.00 23.12 23.41 2rq8 s ALA 82 CO -0.00 -0.43 0.36 -0.80 0.00 0.00 0.00 175.76 174.88 2rq8 s ASN 83 N -2.85 6.55 -0.10 0.00 -0.87 -1.26 -1.85 114.94 114.56 2rq8 s ASN 83 Ca 0.05 0.66 0.02 0.00 -1.57 0.00 0.00 52.86 52.02 2rq8 s ASN 83 Cb 0.06 -2.12 -0.02 0.00 -0.02 0.00 0.00 41.25 39.15 2rq8 s ASN 83 CO -0.10 0.14 -0.15 -0.22 -2.57 0.00 0.00 177.10 174.20 2rq8 s LEU 84 N -2.17 2.62 -0.36 0.60 0.20 0.95 -2.81 118.68 117.71 2rq8 s LEU 84 Ca 0.35 -0.32 -0.07 0.00 0.69 0.00 0.00 54.13 54.78 2rq8 s LEU 84 Cb -0.13 -1.56 0.04 0.00 -0.43 0.00 0.00 46.19 44.12 2rq8 s LEU 84 CO 0.20 0.23 0.15 -0.75 -0.29 0.00 0.00 176.35 175.89 2rq8 s LYS 85 N -0.04 2.64 -0.15 1.98 2.20 -0.28 -1.74 119.74 124.35 2rq8 s LYS 85 Ca -0.04 -1.22 -0.28 0.00 -0.36 0.00 0.00 55.97 54.08 2rq8 s LYS 85 Cb -0.14 -3.55 -0.01 0.00 -1.51 0.00 0.00 37.83 32.62 2rq8 s LYS 85 CO 0.04 -0.72 0.94 0.08 -0.36 0.00 0.00 175.35 175.33 2rq8 s VAL 86 N 1.42 4.81 -0.05 4.02 1.01 -0.97 -2.36 120.40 128.28 2rq8 s VAL 86 Ca -0.00 1.86 -0.02 0.00 0.00 0.00 0.00 61.98 63.82 2rq8 s VAL 86 Cb -0.20 -4.24 -0.04 0.00 0.00 0.00 0.00 36.38 31.91 2rq8 s VAL 86 CO 0.03 -0.02 0.09 -0.75 0.00 0.00 0.00 175.10 174.45 2rq8 s LYS 87 N 2.26 3.17 0.36 2.72 2.36 0.79 -4.88 119.74 126.52 2rq8 s LYS 87 Ca 0.43 -0.37 -0.28 0.00 -2.55 0.00 0.00 55.97 53.20 2rq8 s LYS 87 Cb -0.17 -2.94 -0.10 0.00 -1.05 0.00 0.00 37.83 33.57 2rq8 s LYS 87 CO 0.14 0.69 1.39 -1.83 1.55 0.00 0.00 175.35 177.28 2rq8 s GLU 88 N -1.42 4.18 -1.10 4.03 -1.05 -1.26 -1.98 118.70 120.10 2rq8 s GLU 88 Ca 0.20 2.37 -0.22 0.00 -0.15 0.00 0.00 54.97 57.16 2rq8 s GLU 88 Cb -0.12 -2.97 0.02 0.00 -0.44 0.00 0.00 34.13 30.62 2rq8 s GLU 88 CO 0.10 -0.39 1.69 -0.51 0.95 0.00 0.00 175.26 177.09 2rq8 s LEU 89 N -2.03 3.48 0.38 1.83 1.43 -1.26 -4.86 118.68 117.65 2rq8 s LEU 89 Ca 0.52 -1.62 0.08 0.00 -1.03 0.00 0.00 54.13 52.07 2rq8 s LEU 89 Cb -0.43 -2.57 -0.06 0.00 0.03 0.00 0.00 46.19 43.16 2rq8 s LEU 89 CO 0.57 -1.84 0.07 -1.48 0.23 0.00 0.00 176.35 173.90 2rq8 s LEU 90 N 6.49 3.01 -0.13 1.79 0.05 -1.26 -5.11 118.68 123.53 2rq8 s LEU 90 Ca 0.56 -1.10 -0.01 0.00 0.05 0.00 0.00 54.13 53.63 2rq8 s LEU 90 Cb -0.00 -1.29 0.03 0.00 -2.05 0.00 0.00 46.19 42.88 2rq8 s LEU 90 CO -0.00 -0.39 -0.06 -1.61 -0.55 0.00 0.00 176.35 173.74 2rq8 s GLU 91 N -3.78 1.38 0.14 1.48 2.02 -1.26 -5.12 118.70 113.56 2rq8 s GLU 91 Ca 0.37 -0.30 -0.21 0.00 0.02 0.00 0.00 54.97 54.85 2rq8 s GLU 91 Cb 0.03 -1.66 0.06 0.00 0.10 0.00 0.00 34.13 32.66 2rq8 s GLU 91 CO 0.20 -0.33 0.55 -1.58 0.02 0.00 0.00 175.26 174.12 2rq8 s HIS 92 N 1.72 -0.46 1.18 1.61 2.46 -1.26 -5.18 115.29 115.37 2rq8 s HIS 92 Ca 0.04 0.24 -0.19 0.00 0.47 0.00 0.00 55.06 55.61 2rq8 s HIS 92 Cb -0.13 0.48 0.28 0.00 -0.13 0.00 0.00 32.58 33.07 2rq8 s HIS 92 CO -0.08 -0.80 1.15 -3.38 -2.47 0.00 0.00 174.74 169.16 2rq8 s HIS 93 N -3.66 0.50 -0.19 3.88 -3.43 -1.26 -5.05 115.29 106.08 2rq8 s HIS 93 Ca 0.01 0.41 -0.01 0.00 -0.80 0.00 0.00 55.06 54.66 2rq8 s HIS 93 Cb -0.00 -3.61 0.00 0.00 -1.43 0.00 0.00 32.58 27.54 2rq8 s HIS 93 CO -0.12 -3.77 -0.12 -1.58 -2.00 0.00 0.00 174.74 167.15 2rq8 s HIS 94 N -3.18 2.85 0.58 0.38 2.46 -1.26 -5.10 115.29 112.02 2rq8 s HIS 94 Ca 0.72 -1.16 -0.20 0.00 0.47 0.00 0.00 55.06 54.90 2rq8 s HIS 94 Cb -0.08 -1.98 -0.04 0.00 -0.13 0.00 0.00 32.58 30.35 2rq8 s HIS 94 CO 0.55 -0.59 1.27 -1.01 -2.47 0.00 0.00 174.74 172.50 2rq8 s HIS 95 N 1.19 2.33 0.00 3.88 3.76 -1.26 -4.96 115.29 120.24 2rq8 s HIS 95 Ca 0.02 1.46 -0.30 0.00 -0.15 0.00 0.00 55.06 56.09 2rq8 s HIS 95 Cb -0.14 -3.63 -0.03 0.00 1.11 0.00 0.00 32.58 29.89 2rq8 s HIS 95 CO -0.05 -2.54 0.98 -1.58 -0.85 0.00 0.00 174.74 170.70 2rq8 s HIS 96 N -1.44 3.66 -2.23 1.40 2.46 -1.26 -5.35 115.29 112.54 2rq8 s HIS 96 Ca 0.75 1.70 0.18 0.00 0.47 0.00 0.00 55.06 58.16 2rq8 s HIS 96 Cb -0.35 -3.12 0.14 0.00 -0.13 0.00 0.00 32.58 29.12 2rq8 s HIS 96 CO 0.40 -0.01 1.06 0.72 -2.47 0.00 0.00 174.74 174.44