#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jqn s THR 2 N 0.00 4.35 -0.27 1.12 2.01 -1.26 -4.97 115.64 116.62 2jqn s THR 2 Ca 0.00 -0.69 -0.19 0.00 0.31 0.00 0.00 61.69 61.12 2jqn s THR 2 Cb 0.00 -4.77 -0.02 0.00 0.01 0.00 0.00 72.50 67.72 2jqn s THR 2 CO 0.00 -1.55 0.57 -0.76 -0.69 0.00 0.00 174.62 172.19 2jqn s LEU 3 N 3.89 4.08 0.11 4.42 1.43 -1.26 -1.22 118.68 130.14 2jqn s LEU 3 Ca 0.28 0.54 -0.09 0.00 -1.03 0.00 0.00 54.13 53.83 2jqn s LEU 3 Cb -0.11 -2.75 -0.06 0.00 0.03 0.00 0.00 46.19 43.30 2jqn s LEU 3 CO 0.03 -0.36 0.43 0.27 0.23 0.00 0.00 176.35 176.95 2jqn s ILE 4 N 2.44 5.07 -0.05 -0.59 -4.36 0.11 -4.82 121.20 118.99 2jqn s ILE 4 Ca 0.23 0.42 0.04 0.00 -0.26 0.00 0.00 60.65 61.08 2jqn s ILE 4 Cb -0.15 -3.65 0.00 0.00 1.25 0.00 0.00 42.46 39.91 2jqn s ILE 4 CO 0.10 0.20 -0.17 -0.31 0.24 0.00 0.00 174.94 175.00 2jqn s TYR 5 N -1.49 1.72 -0.14 1.37 1.51 -1.25 -1.59 117.35 117.48 2jqn s TYR 5 Ca 0.36 -0.55 -0.01 0.00 -1.01 0.00 0.00 57.07 55.87 2jqn s TYR 5 Cb -0.13 -1.18 0.03 0.00 -0.11 0.00 0.00 41.96 40.57 2jqn s TYR 5 CO 0.20 -0.21 -0.05 0.21 -1.11 0.00 0.00 175.55 174.59 2jqn s LYS 6 N 0.20 1.30 0.15 -0.62 2.20 -0.71 -2.39 119.74 119.87 2jqn s LYS 6 Ca -0.08 -0.33 -0.25 0.00 -0.36 0.00 0.00 55.97 54.96 2jqn s LYS 6 Cb -0.13 -1.72 -0.08 0.00 -1.51 0.00 0.00 37.83 34.39 2jqn s LYS 6 CO 0.03 -0.37 0.77 0.96 -0.36 0.00 0.00 175.35 176.38 2jqn s ILE 7 N 1.72 4.42 -0.03 5.43 -5.25 -1.26 -0.95 121.20 125.29 2jqn s ILE 7 Ca 0.03 1.68 -0.29 0.00 -0.99 0.00 0.00 60.65 61.08 2jqn s ILE 7 Cb -0.14 -4.13 0.10 0.00 2.95 0.00 0.00 42.46 41.24 2jqn s ILE 7 CO -0.08 0.51 0.86 -1.48 -1.79 0.00 0.00 174.94 172.96 2jqn s LEU 8 N -1.02 -0.42 0.31 0.37 2.34 -0.87 -4.98 118.68 114.41 2jqn s LEU 8 Ca 0.36 0.18 -0.29 0.00 0.06 0.00 0.00 54.13 54.44 2jqn s LEU 8 Cb -0.23 2.11 -0.10 0.00 -0.56 0.00 0.00 46.19 47.41 2jqn s LEU 8 CO 0.26 -0.59 1.22 -0.44 -1.06 0.00 0.00 176.35 175.74 2jqn s SER 9 N -2.03 6.96 0.35 1.48 0.01 -1.26 0.01 113.70 119.21 2jqn s SER 9 Ca 0.01 2.52 0.12 0.00 1.31 0.00 0.00 55.95 59.91 2jqn s SER 9 Cb -0.01 -2.64 0.92 0.00 0.21 0.00 0.00 66.02 64.51 2jqn s SER 9 CO -0.05 -0.39 1.77 -0.09 0.41 0.00 0.00 173.24 174.90 2jqn h ARG 10 N 3.53 0.55 -0.65 12.44 9.65 -0.43 0.98 114.38 140.45 2jqn h ARG 10 Ca -0.48 -0.03 0.13 0.00 -1.10 0.00 0.00 59.98 58.49 2jqn h ARG 10 Cb 1.22 -0.12 -0.09 0.00 -1.39 0.00 0.00 29.97 29.58 2jqn h ARG 10 CO 0.66 0.37 0.16 0.00 2.80 0.00 0.00 179.97 183.95 2jqn h ALA 11 N 1.65 0.80 -0.35 2.80 0.00 -1.91 0.12 119.26 122.36 2jqn h ALA 11 Ca 0.59 0.14 -0.07 0.00 0.00 0.00 0.00 54.91 55.57 2jqn h ALA 11 Cb 1.19 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 2jqn h ALA 11 CO -0.36 -0.30 -0.05 1.49 0.00 0.00 0.00 179.25 180.04 2jqn h GLU 12 N 0.28 0.65 0.27 0.00 4.81 -1.19 -2.39 114.58 117.01 2jqn h GLU 12 Ca 0.35 -0.23 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 2jqn h GLU 12 Cb 0.53 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.87 2jqn h GLU 12 CO -0.43 0.79 -0.13 2.35 -0.73 0.00 0.00 179.01 180.87 2jqn h TRP 13 N 0.45 -0.34 0.00 0.92 -0.00 -1.01 -1.56 115.95 114.42 2jqn h TRP 13 Ca 0.09 -0.01 -0.02 0.00 -0.00 0.00 0.00 58.89 58.96 2jqn h TRP 13 Cb 0.53 0.11 -0.00 0.00 -0.00 0.00 0.00 29.16 29.80 2jqn h TRP 13 CO 0.04 -0.10 -0.09 -0.44 -0.00 0.00 0.00 178.44 177.85 2jqn h ASP 14 N -0.52 0.00 0.20 2.65 3.32 -1.08 0.31 116.42 121.30 2jqn h ASP 14 Ca -0.04 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 2jqn h ASP 14 Cb 0.38 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.94 2jqn h ASP 14 CO 0.06 0.09 -0.10 0.00 -1.72 0.00 0.00 179.24 177.58 2jqn h ALA 15 N 1.91 -0.27 -0.40 3.45 0.00 -1.12 0.19 119.26 123.02 2jqn h ALA 15 Ca -0.00 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 2jqn h ALA 15 Cb 0.18 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2jqn h ALA 15 CO 0.01 -0.58 0.08 0.00 0.00 0.00 0.00 179.25 178.76 2jqn h ALA 16 N 0.37 1.39 -0.49 0.00 0.00 -0.61 -2.40 119.26 117.53 2jqn h ALA 16 Ca -0.03 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 2jqn h ALA 16 Cb 0.31 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2jqn h ALA 16 CO 0.05 0.44 -0.07 -0.22 0.00 0.00 0.00 179.25 179.44 2jqn h LYS 17 N 0.58 0.87 -0.91 0.00 3.64 -0.24 0.23 116.57 120.73 2jqn h LYS 17 Ca 0.13 -0.28 0.01 0.00 -1.27 0.00 0.00 60.65 59.24 2jqn h LYS 17 Cb 0.25 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 31.95 2jqn h LYS 17 CO -0.00 0.91 0.60 0.00 -2.27 0.00 0.00 179.45 178.69 2jqn h ALA 18 N 1.12 1.34 0.00 5.00 0.00 -0.17 -0.75 119.26 125.81 2jqn h ALA 18 Ca 0.14 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 2jqn h ALA 18 Cb 0.58 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2jqn h ALA 18 CO 0.04 0.61 -0.45 1.96 0.00 0.00 0.00 179.25 181.40 2jqn h GLN 19 N 1.24 0.00 0.00 0.00 4.20 -1.00 -3.47 115.11 116.09 2jqn h GLN 19 Ca 0.33 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.04 2jqn h GLN 19 Cb -0.14 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.64 2jqn h GLN 19 CO -0.07 0.45 0.00 0.41 -0.67 0.00 0.00 178.83 178.95 2jqn n GLY 20 N 0.12 0.77 3.42 3.46 0.00 0.70 -5.00 105.19 108.66 2jqn n GLY 20 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 2jqn n GLY 20 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2jqn s ARG 21 N -0.01 0.60 -0.01 1.61 3.52 -0.63 -1.20 118.95 122.83 2jqn s ARG 21 Ca 0.00 0.74 0.07 0.00 -0.13 0.00 0.00 55.73 56.41 2jqn s ARG 21 Cb 0.00 0.28 -0.02 0.00 -1.56 0.00 0.00 34.95 33.65 2jqn s ARG 21 CO 0.00 -0.08 -0.23 0.12 -0.81 0.00 0.00 175.30 174.30 2jqn s PHE 22 N 0.36 2.05 -0.48 5.12 5.36 0.36 -4.74 117.98 126.02 2jqn s PHE 22 Ca -0.01 -0.39 0.06 0.00 -0.96 0.00 0.00 56.93 55.64 2jqn s PHE 22 Cb -0.04 -1.31 0.22 0.00 -0.34 0.00 0.00 43.02 41.55 2jqn s PHE 22 CO -0.00 -0.03 0.72 -0.85 -1.46 0.00 0.00 175.22 173.60 2jqn n GLU 23 N 2.47 0.63 -0.41 10.12 0.28 -1.26 0.51 120.64 132.97 2jqn n GLU 23 Ca -0.16 -2.21 0.00 0.00 -0.16 0.00 0.00 57.16 54.64 2jqn n GLU 23 Cb 0.52 -1.45 0.00 0.00 1.43 0.00 0.00 31.44 31.94 2jqn n GLU 23 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2jqn n GLY 24 N 2.16 -1.75 3.57 -1.84 0.00 -1.26 -4.74 105.19 101.34 2jqn n GLY 24 Ca 0.16 -0.88 -0.30 0.00 0.00 0.00 0.00 46.02 45.00 2jqn n GLY 24 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2jqn n SER 25 N 0.00 -1.97 -0.24 1.61 7.64 -1.26 -4.16 113.62 115.23 2jqn n SER 25 Ca 0.00 -1.20 0.01 0.00 1.01 0.00 0.00 58.87 58.69 2jqn n SER 25 Cb 0.00 -1.02 0.08 0.00 -1.01 0.00 0.00 64.21 62.26 2jqn n SER 25 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jqn h ALA 26 N -2.69 0.47 0.08 -0.43 0.00 -1.98 0.34 119.26 115.04 2jqn h ALA 26 Ca -0.42 0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 2jqn h ALA 26 Cb 1.27 0.52 0.00 0.00 0.00 0.00 0.00 17.79 19.58 2jqn h ALA 26 CO 0.27 -0.42 -0.04 0.28 0.00 0.00 0.00 179.25 179.35 2jqn h VAL 27 N 0.00 1.18 -0.02 0.00 2.07 -1.97 -2.43 116.25 115.08 2jqn h VAL 27 Ca 0.33 -1.13 0.03 0.00 0.82 0.00 0.00 66.70 66.76 2jqn h VAL 27 Cb 0.51 1.88 -0.04 0.00 -1.52 0.00 0.00 31.29 32.13 2jqn h VAL 27 CO -0.71 0.27 -0.21 0.44 0.02 0.00 0.00 177.57 177.38 2jqn h ASP 28 N -0.65 -0.61 -0.52 0.57 5.19 -1.65 0.51 116.42 119.25 2jqn h ASP 28 Ca -0.01 0.09 -0.03 0.00 -0.62 0.00 0.00 57.03 56.46 2jqn h ASP 28 Cb 0.53 0.26 -0.03 0.00 0.18 0.00 0.00 39.33 40.27 2jqn h ASP 28 CO 0.02 -0.27 0.23 0.25 -3.12 0.00 0.00 179.24 176.34 2jqn h LEU 29 N -0.32 0.75 -0.78 1.55 5.85 -0.48 0.13 115.31 122.00 2jqn h LEU 29 Ca 0.07 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.69 2jqn h LEU 29 Cb 0.41 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.25 2jqn h LEU 29 CO -0.20 0.67 0.00 0.00 -0.34 0.00 0.00 178.44 178.57 2jqn h ALA 30 N 1.44 1.00 0.04 1.25 0.00 -0.85 -3.31 119.26 118.83 2jqn h ALA 30 Ca 0.19 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.83 2jqn h ALA 30 Cb 0.16 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2jqn h ALA 30 CO -0.02 0.00 -1.48 -3.47 0.00 0.00 0.00 179.25 174.28 2jqn n ASP 31 N -2.82 1.94 0.00 0.00 2.03 0.17 -5.04 116.55 112.83 2jqn n ASP 31 Ca 0.02 0.36 0.00 0.00 0.52 0.00 0.00 54.79 55.70 2jqn n ASP 31 Cb 0.36 -0.94 0.00 0.00 -0.72 0.00 0.00 41.12 39.82 2jqn n ASP 31 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jqn n GLY 32 N 1.59 3.38 3.56 0.27 0.00 0.33 -5.08 105.19 109.24 2jqn n GLY 32 Ca -0.32 -0.47 -0.13 0.00 0.00 0.00 0.00 46.02 45.10 2jqn n GLY 32 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2jqn s PHE 33 N 0.00 0.87 -0.15 1.61 -0.71 -1.13 -4.90 117.98 113.56 2jqn s PHE 33 Ca 0.00 -1.19 -0.24 0.00 -1.04 0.00 0.00 56.93 54.46 2jqn s PHE 33 Cb 0.00 0.11 -0.02 0.00 -1.21 0.00 0.00 43.02 41.90 2jqn s PHE 33 CO 0.00 -1.23 0.76 0.42 -1.34 0.00 0.00 175.22 173.83 2jqn s ILE 34 N -2.90 4.95 -0.69 -4.49 1.01 -1.00 -4.51 121.20 113.57 2jqn s ILE 34 Ca 0.27 1.50 -0.07 0.00 0.00 0.00 0.00 60.65 62.35 2jqn s ILE 34 Cb -0.01 -4.08 0.18 0.00 0.01 0.00 0.00 42.46 38.56 2jqn s ILE 34 CO 0.18 0.09 0.55 -1.38 0.00 0.00 0.00 174.94 174.39 2jqn s HIS 35 N 1.79 3.54 0.83 3.97 -3.43 -1.26 -1.77 115.29 118.96 2jqn s HIS 35 Ca 0.36 -2.41 -0.12 0.00 -0.80 0.00 0.00 55.06 52.09 2jqn s HIS 35 Cb -0.17 -3.44 0.10 0.00 -1.43 0.00 0.00 32.58 27.64 2jqn s HIS 35 CO 0.13 -0.90 1.19 -0.51 -2.00 0.00 0.00 174.74 172.65 2jqn s LEU 36 N 0.10 2.47 -0.10 5.38 1.43 -0.68 -5.00 118.68 122.28 2jqn s LEU 36 Ca 0.17 0.75 -0.01 0.00 -1.03 0.00 0.00 54.13 54.00 2jqn s LEU 36 Cb -0.17 -3.18 0.03 0.00 0.03 0.00 0.00 46.19 42.90 2jqn s LEU 36 CO -0.05 -2.05 -0.04 -0.44 0.23 0.00 0.00 176.35 174.00 2jqn s SER 37 N -4.56 1.99 -0.69 2.29 0.01 -1.00 -3.90 113.70 107.84 2jqn s SER 37 Ca 0.63 -0.25 -0.27 0.00 1.31 0.00 0.00 55.95 57.37 2jqn s SER 37 Cb -0.11 -0.67 0.03 0.00 0.21 0.00 0.00 66.02 65.49 2jqn s SER 37 CO 0.50 -0.16 1.28 0.00 0.41 0.00 0.00 173.24 175.26 2jqn s ALA 38 N 1.82 2.80 0.00 1.44 0.00 -1.26 -3.86 121.76 122.71 2jqn s ALA 38 Ca 0.05 -1.18 0.00 0.00 0.00 0.00 0.00 51.96 50.82 2jqn s ALA 38 Cb -0.13 -4.20 0.00 0.00 0.00 0.00 0.00 23.12 18.80 2jqn s ALA 38 CO -0.07 -3.13 0.00 0.41 0.00 0.00 0.00 175.76 172.98 2jqn n GLY 39 N 5.30 0.41 0.36 0.00 0.00 -1.26 -1.79 105.19 108.21 2jqn n GLY 39 Ca 0.05 0.34 -0.07 0.00 0.00 0.00 0.00 46.02 46.35 2jqn n GLY 39 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2jqn h GLU 40 N 0.00 -0.19 0.00 1.61 4.81 -2.00 0.13 114.58 118.93 2jqn h GLU 40 Ca 0.00 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 2jqn h GLU 40 Cb 0.00 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.42 2jqn h GLU 40 CO 0.00 -0.13 -0.09 1.96 -0.73 0.00 0.00 179.01 180.02 2jqn h GLN 41 N -0.20 0.00 0.18 1.92 4.20 -1.67 -1.85 115.11 117.69 2jqn h GLN 41 Ca 0.21 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.91 2jqn h GLN 41 Cb 0.56 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.34 2jqn h GLN 41 CO -0.66 0.09 -0.09 0.00 -0.67 0.00 0.00 178.83 177.51 2jqn h ALA 42 N 1.91 -0.25 -0.04 3.87 0.00 -0.94 -2.22 119.26 121.59 2jqn h ALA 42 Ca -0.00 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.60 2jqn h ALA 42 Cb 0.26 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2jqn h ALA 42 CO 0.01 -0.33 -0.38 0.37 0.00 0.00 0.00 179.25 178.92 2jqn h GLN 43 N -0.86 0.08 -0.22 0.00 4.15 -1.19 -0.42 115.11 116.66 2jqn h GLN 43 Ca -0.03 -0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.33 2jqn h GLN 43 Cb 0.52 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.20 2jqn h GLN 43 CO 0.04 0.45 -0.00 1.49 -1.93 0.00 0.00 178.83 178.88 2jqn h GLU 44 N 0.07 0.38 -0.85 1.69 4.81 -1.42 0.52 114.58 119.79 2jqn h GLU 44 Ca 0.01 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 2jqn h GLU 44 Cb 0.71 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.01 2jqn h GLU 44 CO 0.05 0.58 0.54 1.15 -0.73 0.00 0.00 179.01 180.60 2jqn h THR 45 N 0.15 1.23 -0.38 0.32 2.02 -1.13 0.33 112.91 115.44 2jqn h THR 45 Ca 0.06 -0.45 -0.06 0.00 0.77 0.00 0.00 66.41 66.74 2jqn h THR 45 Cb 0.40 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.80 2jqn h THR 45 CO 0.01 0.23 -0.00 0.00 0.37 0.00 0.00 175.52 176.12 2jqn h ALA 46 N 1.44 1.29 0.00 6.16 0.00 -0.89 0.25 119.26 127.52 2jqn h ALA 46 Ca 0.31 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 2jqn h ALA 46 Cb -0.09 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 2jqn h ALA 46 CO -0.06 0.48 -0.49 0.00 0.00 0.00 0.00 179.25 179.18 2jqn h ALA 47 N 1.44 0.76 -0.19 0.00 0.00 0.04 -0.48 119.26 120.83 2jqn h ALA 47 Ca 0.12 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2jqn h ALA 47 Cb 0.37 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2jqn h ALA 47 CO 0.01 0.61 0.00 1.63 0.00 0.00 0.00 179.25 181.50 2jqn n LYS 48 N -3.33 0.00 0.01 0.00 5.02 0.11 -4.23 118.16 115.72 2jqn n LYS 48 Ca 0.01 0.41 -0.12 0.00 -2.02 0.00 0.00 58.31 56.59 2jqn n LYS 48 Cb 0.67 -0.91 -0.14 0.00 -0.02 0.00 0.00 35.03 34.63 2jqn n LYS 48 CO 0.00 0.00 0.00 -1.49 -0.52 0.00 0.00 177.40 175.39 2jqn h TRP 49 N 0.00 0.16 -0.64 2.13 4.06 -0.71 -3.35 115.95 117.60 2jqn h TRP 49 Ca 0.00 -0.12 0.00 0.00 2.06 0.00 0.00 58.89 60.83 2jqn h TRP 49 Cb 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 29.16 28.15 2jqn h TRP 49 CO 0.00 1.20 0.00 1.19 -3.56 0.00 0.00 178.44 177.27 2jqn n PHE 50 N -3.22 1.40 -1.55 0.49 3.01 -1.10 -4.95 117.46 111.53 2jqn n PHE 50 Ca -0.17 -0.61 -0.38 0.00 1.01 0.00 0.00 57.45 57.30 2jqn n PHE 50 Cb 1.04 -0.22 -0.04 0.00 -0.01 0.00 0.00 39.48 40.25 2jqn n PHE 50 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 2jqn n ARG 51 N 1.11 1.12 -0.43 -1.08 0.00 -0.21 -1.55 116.66 115.62 2jqn n ARG 51 Ca 0.25 0.09 0.00 0.00 -0.00 0.00 0.00 57.85 58.19 2jqn n ARG 51 Cb 0.86 -3.27 0.00 0.00 0.00 0.00 0.00 32.46 30.05 2jqn n ARG 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2jqn n GLY 52 N 6.02 0.88 3.71 5.14 0.00 -1.25 -5.00 105.19 114.70 2jqn n GLY 52 Ca 0.38 -0.39 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 2jqn n GLY 52 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2jqn n GLN 53 N -2.13 -0.22 -4.27 1.61 6.02 -0.60 -5.02 117.38 112.77 2jqn n GLN 53 Ca 0.00 -2.52 -0.15 0.00 -0.01 0.00 0.00 57.00 54.32 2jqn n GLN 53 Cb 0.03 -0.72 -0.10 0.00 1.02 0.00 0.00 30.24 30.48 2jqn n GLN 53 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2jqn s ALA 54 N -3.26 1.58 -1.58 -1.58 0.00 -1.26 -3.65 121.76 112.01 2jqn s ALA 54 Ca 0.64 -1.53 -0.01 0.00 0.00 0.00 0.00 51.96 51.07 2jqn s ALA 54 Cb -0.03 0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.11 2jqn s ALA 54 CO 0.43 -0.06 0.11 0.09 0.00 0.00 0.00 175.76 176.33 2jqn n ASN 55 N -0.24 -5.52 -4.55 0.00 5.03 -1.26 -4.67 115.26 104.04 2jqn n ASN 55 Ca -0.10 -0.07 -0.40 0.00 0.87 0.00 0.00 54.58 54.89 2jqn n ASN 55 Cb 0.61 -4.53 -0.03 0.00 -1.02 0.00 0.00 39.78 34.81 2jqn n ASN 55 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2jqn s LEU 56 N -5.58 3.23 -0.12 3.41 1.43 -1.13 0.30 118.68 120.21 2jqn s LEU 56 Ca 0.06 -0.38 -0.26 0.00 -1.03 0.00 0.00 54.13 52.52 2jqn s LEU 56 Cb -0.03 -2.55 -0.02 0.00 0.03 0.00 0.00 46.19 43.62 2jqn s LEU 56 CO 0.07 -1.99 0.85 -0.69 0.23 0.00 0.00 176.35 174.82 2jqn s VAL 57 N 6.73 4.90 -0.57 -1.59 1.01 0.10 -1.82 120.40 129.16 2jqn s VAL 57 Ca 0.46 1.70 -0.19 0.00 0.00 0.00 0.00 61.98 63.95 2jqn s VAL 57 Cb -0.08 -4.16 0.09 0.00 0.00 0.00 0.00 36.38 32.22 2jqn s VAL 57 CO 0.13 0.08 0.70 -0.22 0.00 0.00 0.00 175.10 175.79 2jqn s LEU 58 N 1.75 5.18 -0.43 3.92 2.96 0.28 -2.05 118.68 130.30 2jqn s LEU 58 Ca 0.41 -1.24 -0.29 0.00 -0.22 0.00 0.00 54.13 52.79 2jqn s LEU 58 Cb -0.17 -2.36 0.01 0.00 0.50 0.00 0.00 46.19 44.17 2jqn s LEU 58 CO 0.16 -1.08 1.41 -0.76 -1.32 0.00 0.00 176.35 174.76 2jqn s LEU 59 N 2.79 3.57 -0.33 -0.68 1.43 -0.12 -1.42 118.68 123.91 2jqn s LEU 59 Ca 0.13 0.77 -0.11 0.00 -1.03 0.00 0.00 54.13 53.90 2jqn s LEU 59 Cb -0.22 -3.50 -0.00 0.00 0.03 0.00 0.00 46.19 42.49 2jqn s LEU 59 CO 0.08 -1.46 0.19 0.00 0.23 0.00 0.00 176.35 175.39 2jqn s ALA 60 N 5.49 3.33 -0.09 4.21 0.00 -0.30 -1.74 121.76 132.66 2jqn s ALA 60 Ca 0.60 -1.45 0.02 0.00 0.00 0.00 0.00 51.96 51.13 2jqn s ALA 60 Cb -0.13 -2.50 0.01 0.00 0.00 0.00 0.00 23.12 20.51 2jqn s ALA 60 CO 0.32 -1.02 -0.14 0.08 0.00 0.00 0.00 175.76 175.00 2jqn s VAL 61 N 1.63 1.35 -0.93 0.00 1.01 -0.62 -1.40 120.40 121.43 2jqn s VAL 61 Ca 0.04 -0.58 -0.24 0.00 0.00 0.00 0.00 61.98 61.20 2jqn s VAL 61 Cb -0.18 -1.23 -0.00 0.00 0.00 0.00 0.00 36.38 34.98 2jqn s VAL 61 CO 0.07 0.41 1.70 -1.83 0.00 0.00 0.00 175.10 175.45 2jqn s GLU 62 N 0.79 3.02 0.05 2.72 -1.05 -1.26 -0.71 118.70 122.25 2jqn s GLU 62 Ca -0.12 -0.59 -0.16 0.00 -0.15 0.00 0.00 54.97 53.96 2jqn s GLU 62 Cb -0.16 -5.11 -0.28 0.00 -0.44 0.00 0.00 34.13 28.14 2jqn s GLU 62 CO 0.02 -2.80 1.10 0.00 0.95 0.00 0.00 175.26 174.54 2jqn h ALA 63 N 10.80 0.01 -2.61 -0.84 0.00 -1.54 -3.49 119.26 121.59 2jqn h ALA 63 Ca 0.10 -0.74 0.23 0.00 0.00 0.00 0.00 54.91 54.51 2jqn h ALA 63 Cb 1.02 0.10 -0.13 0.00 0.00 0.00 0.00 17.79 18.78 2jqn h ALA 63 CO 1.31 0.64 -0.92 0.39 0.00 0.00 0.00 179.25 180.66 2jqn n GLU 64 N -3.86 -2.54 -1.16 0.00 -0.58 -0.90 -4.41 120.64 107.19 2jqn n GLU 64 Ca -0.13 2.07 -0.20 0.00 -0.42 0.00 0.00 57.16 58.48 2jqn n GLU 64 Cb 0.93 -2.90 -0.10 0.00 -0.57 0.00 0.00 31.44 28.81 2jqn n GLU 64 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 2jqn n PRO 65 N -3.57 0.05 0.16 3.49 -0.02 -1.26 -4.74 135.00 129.10 2jqn n PRO 65 Ca -0.06 -1.16 -0.07 0.00 -2.02 0.00 0.00 63.50 60.19 2jqn n PRO 65 Cb 0.49 -2.95 -0.03 0.00 -0.02 0.00 0.00 33.50 30.99 2jqn n PRO 65 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2jqn h LEU 66 N 18.46 -0.36 0.00 2.45 3.38 -1.89 -3.50 115.31 133.85 2jqn h LEU 66 Ca 0.07 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2jqn h LEU 66 Cb 0.88 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.73 2jqn h LEU 66 CO 1.25 -0.17 0.00 0.61 0.09 0.00 0.00 178.44 180.22 2jqn n GLY 67 N -0.20 0.41 0.13 0.83 0.00 -1.26 -4.95 105.19 100.16 2jqn n GLY 67 Ca -0.05 -0.09 -0.22 0.00 0.00 0.00 0.00 46.02 45.65 2jqn n GLY 67 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2jqn h GLU 68 N 0.00 0.31 -0.02 1.61 4.11 -2.01 -3.39 114.58 115.18 2jqn h GLU 68 Ca 0.00 -0.52 -0.21 0.00 0.07 0.00 0.00 59.36 58.70 2jqn h GLU 68 Cb 0.00 0.19 0.02 0.00 0.50 0.00 0.00 28.75 29.46 2jqn h GLU 68 CO 0.00 1.25 -0.80 0.38 0.07 0.00 0.00 179.01 179.91 2jqn h ASP 69 N -0.17 0.75 -2.35 3.06 2.03 -1.92 -3.37 116.42 114.45 2jqn h ASP 69 Ca -0.30 -0.73 -0.62 0.00 -0.73 0.00 0.00 57.03 54.65 2jqn h ASP 69 Cb 1.86 -0.23 -0.13 0.00 -0.83 0.00 0.00 39.33 40.00 2jqn h ASP 69 CO 0.11 1.37 0.82 -0.22 -1.03 0.00 0.00 179.24 180.29 2jqn s LEU 70 N -8.27 4.21 -0.44 0.15 2.96 -1.26 -2.36 118.68 113.67 2jqn s LEU 70 Ca -0.11 -1.19 -0.08 0.00 -0.22 0.00 0.00 54.13 52.52 2jqn s LEU 70 Cb 0.06 -2.46 0.10 0.00 0.50 0.00 0.00 46.19 44.39 2jqn s LEU 70 CO 0.87 -1.44 0.29 -0.75 -1.32 0.00 0.00 176.35 174.01 2jqn s LYS 71 N 4.17 2.48 -0.63 1.98 2.47 0.14 -4.38 119.74 125.96 2jqn s LYS 71 Ca 0.30 -1.65 -0.28 0.00 -1.56 0.00 0.00 55.97 52.78 2jqn s LYS 71 Cb -0.10 -3.83 0.02 0.00 -1.46 0.00 0.00 37.83 32.46 2jqn s LYS 71 CO 0.04 -1.08 1.33 -1.58 0.16 0.00 0.00 175.35 174.22 2jqn s TRP 72 N 1.36 2.34 -0.28 4.03 0.52 -1.26 -0.77 118.94 124.87 2jqn s TRP 72 Ca 0.05 0.29 0.03 0.00 0.02 0.00 0.00 56.10 56.49 2jqn s TRP 72 Cb -0.25 -4.49 0.07 0.00 -1.15 0.00 0.00 33.47 27.65 2jqn s TRP 72 CO -0.00 -1.92 -0.06 -1.21 0.02 0.00 0.00 176.95 173.78 2jqn s GLU 73 N 5.52 2.06 0.11 4.98 2.02 -0.89 -4.92 118.70 127.58 2jqn s GLU 73 Ca 0.44 -1.48 -0.30 0.00 0.02 0.00 0.00 54.97 53.65 2jqn s GLU 73 Cb -0.09 -3.00 -0.06 0.00 0.10 0.00 0.00 34.13 31.08 2jqn s GLU 73 CO 0.21 -0.67 1.06 0.00 0.02 0.00 0.00 175.26 175.88 2jqn s ALA 74 N 1.06 3.31 1.10 5.21 0.00 -1.26 -1.80 121.76 129.38 2jqn s ALA 74 Ca -0.03 0.72 -0.15 0.00 0.00 0.00 0.00 51.96 52.49 2jqn s ALA 74 Cb -0.20 -3.35 0.24 0.00 0.00 0.00 0.00 23.12 19.81 2jqn s ALA 74 CO -0.05 -0.20 1.09 -1.12 0.00 0.00 0.00 175.76 175.48 2jqn s SER 75 N 0.30 1.74 -0.86 0.00 0.01 -0.42 -4.78 113.70 109.68 2jqn s SER 75 Ca 0.51 0.95 -0.20 0.00 1.31 0.00 0.00 55.95 58.53 2jqn s SER 75 Cb -0.27 -1.45 -0.22 0.00 0.21 0.00 0.00 66.02 64.29 2jqn s SER 75 CO 0.31 -3.65 2.33 -2.11 0.41 0.00 0.00 173.24 170.53 2jqn n ARG 76 N -4.49 0.34 -0.58 12.44 1.85 -1.26 -1.54 116.66 123.43 2jqn n ARG 76 Ca 0.08 -0.44 0.00 0.00 -1.00 0.00 0.00 57.85 56.49 2jqn n ARG 76 Cb 0.58 -2.55 0.00 0.00 -1.05 0.00 0.00 32.46 29.44 2jqn n ARG 76 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2jqn n GLY 77 N 6.25 0.68 0.00 2.89 0.00 -1.26 -5.02 105.19 108.73 2jqn n GLY 77 Ca 0.55 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.26 2jqn n GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jqn n GLY 78 N -2.58 1.76 2.56 -0.02 0.00 -0.59 -5.14 105.19 101.19 2jqn n GLY 78 Ca 0.00 -0.98 -0.04 0.00 0.00 0.00 0.00 46.02 45.00 2jqn n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jqn n ALA 79 N -0.72 -3.63 -2.73 4.61 0.00 -1.26 -1.40 120.51 115.38 2jqn n ALA 79 Ca 0.00 1.79 -0.43 0.00 0.00 0.00 0.00 53.44 54.80 2jqn n ALA 79 Cb 0.00 -3.50 -0.04 0.00 0.00 0.00 0.00 19.45 15.90 2jqn n ALA 79 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2jqn s ARG 80 N -0.94 3.23 -0.25 0.00 1.70 -1.26 -1.31 118.95 120.12 2jqn s ARG 80 Ca -0.20 -0.51 -0.20 0.00 -0.47 0.00 0.00 55.73 54.36 2jqn s ARG 80 Cb 0.01 -4.13 -0.02 0.00 -0.57 0.00 0.00 34.95 30.24 2jqn s ARG 80 CO 0.75 -1.65 0.60 -0.06 -1.08 0.00 0.00 175.30 173.86 2jqn s PHE 81 N 4.06 3.29 -0.66 5.89 0.08 -0.75 -4.71 117.98 125.18 2jqn s PHE 81 Ca 0.27 0.79 -0.26 0.00 0.12 0.00 0.00 56.93 57.85 2jqn s PHE 81 Cb -0.14 -2.80 -0.05 0.00 -0.57 0.00 0.00 43.02 39.46 2jqn s PHE 81 CO 0.15 -0.29 2.08 -2.14 -0.10 0.00 0.00 175.22 174.92 2jqn s PRO 82 N 2.35 2.36 -0.39 0.24 0.02 -1.25 -2.10 135.00 136.23 2jqn s PRO 82 Ca 0.25 0.62 -0.21 0.00 0.02 0.00 0.00 61.00 61.69 2jqn s PRO 82 Cb -0.16 -4.61 0.01 0.00 0.02 0.00 0.00 34.50 29.76 2jqn s PRO 82 CO 0.09 -3.19 0.67 -1.01 -0.33 0.00 0.00 177.00 173.23 2jqn s HIS 83 N 10.70 3.11 -0.23 6.54 3.76 0.05 -1.68 115.29 137.54 2jqn s HIS 83 Ca 0.78 0.24 -0.08 0.00 -0.15 0.00 0.00 55.06 55.85 2jqn s HIS 83 Cb -0.13 -3.28 -0.03 0.00 1.11 0.00 0.00 32.58 30.25 2jqn s HIS 83 CO 0.16 -0.74 0.08 -1.17 -0.85 0.00 0.00 174.74 172.22 2jqn s LEU 84 N 2.84 3.60 -0.40 0.89 2.96 -0.73 -0.69 118.68 127.15 2jqn s LEU 84 Ca 0.25 -0.10 0.05 0.00 -0.22 0.00 0.00 54.13 54.12 2jqn s LEU 84 Cb -0.14 -1.95 0.59 0.00 0.50 0.00 0.00 46.19 45.19 2jqn s LEU 84 CO 0.17 0.03 1.74 -1.22 -1.32 0.00 0.00 176.35 175.75 2jqn n TYR 85 N 4.47 2.32 -4.18 5.38 4.02 -0.99 -2.36 117.16 125.82 2jqn n TYR 85 Ca -0.16 -1.84 -0.17 0.00 -0.01 0.00 0.00 57.90 55.72 2jqn n TYR 85 Cb 0.52 -0.79 -0.12 0.00 -0.02 0.00 0.00 39.34 38.92 2jqn n TYR 85 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 2jqn s ARG 86 N -3.32 0.75 -0.09 -0.72 1.81 -1.26 -5.04 118.95 111.07 2jqn s ARG 86 Ca 0.53 -0.83 -0.30 0.00 -1.72 0.00 0.00 55.73 53.41 2jqn s ARG 86 Cb 0.45 -0.69 -0.03 0.00 -0.45 0.00 0.00 34.95 34.23 2jqn s ARG 86 CO 0.06 0.16 1.25 -1.25 -0.68 0.00 0.00 175.30 174.83 2jqn s PRO 87 N -1.50 4.30 -0.47 3.54 0.04 -1.26 -4.90 135.00 134.74 2jqn s PRO 87 Ca -0.03 1.70 -0.22 0.00 0.04 0.00 0.00 61.00 62.49 2jqn s PRO 87 Cb -0.09 -3.64 0.03 0.00 0.04 0.00 0.00 34.50 30.84 2jqn s PRO 87 CO 0.01 -0.56 0.72 -1.17 0.04 0.00 0.00 177.00 176.05 2jqn s LEU 88 N 2.73 4.46 0.37 -3.56 2.96 0.18 -4.92 118.68 120.90 2jqn s LEU 88 Ca 0.56 -0.39 -0.27 0.00 -0.22 0.00 0.00 54.13 53.82 2jqn s LEU 88 Cb -0.24 -2.75 -0.09 0.00 0.50 0.00 0.00 46.19 43.61 2jqn s LEU 88 CO 0.20 -0.90 1.22 -0.76 -1.32 0.00 0.00 176.35 174.78 2jqn s LEU 89 N 3.08 4.30 0.50 -0.68 2.01 -1.26 -0.49 118.68 126.14 2jqn s LEU 89 Ca 0.24 2.47 0.19 0.00 0.01 0.00 0.00 54.13 57.04 2jqn s LEU 89 Cb -0.14 -3.86 1.25 0.00 0.01 0.00 0.00 46.19 43.44 2jqn s LEU 89 CO 0.19 -0.61 2.05 1.62 1.01 0.00 0.00 176.35 180.61 2jqn h VAL 90 N 2.61 0.88 0.00 -1.59 3.04 -1.49 -0.05 116.25 119.64 2jqn h VAL 90 Ca -0.49 -0.04 -0.02 0.00 -1.01 0.00 0.00 66.70 65.14 2jqn h VAL 90 Cb 1.23 0.75 -0.00 0.00 -2.01 0.00 0.00 31.29 31.26 2jqn h VAL 90 CO 0.64 0.02 -0.12 -1.28 -1.01 0.00 0.00 177.57 175.82 2jqn h SER 91 N 0.12 0.00 0.17 3.17 0.87 -1.92 -2.70 113.55 113.27 2jqn h SER 91 Ca 0.17 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 2jqn h SER 91 Cb 0.52 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.48 2jqn h SER 91 CO -0.02 0.12 -0.10 -0.62 -0.53 0.00 0.00 176.83 175.68 2jqn n GLU 92 N -4.12 1.06 -2.59 2.24 -0.58 -0.03 -4.85 120.64 111.76 2jqn n GLU 92 Ca -0.02 -0.49 -0.42 0.00 -0.42 0.00 0.00 57.16 55.80 2jqn n GLU 92 Cb 0.20 -1.49 -0.03 0.00 -0.57 0.00 0.00 31.44 29.55 2jqn n GLU 92 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2jqn s VAL 93 N -2.28 4.55 -0.02 2.62 1.01 -1.02 -4.78 120.40 120.47 2jqn s VAL 93 Ca 0.33 1.83 -0.16 0.00 0.00 0.00 0.00 61.98 63.98 2jqn s VAL 93 Cb 0.20 -4.17 -0.09 0.00 0.00 0.00 0.00 36.38 32.32 2jqn s VAL 93 CO 0.43 0.09 0.71 0.74 0.00 0.00 0.00 175.10 177.07 2jqn h THR 94 N 4.83 0.00 -3.08 3.92 2.02 -1.86 -3.48 112.91 115.27 2jqn h THR 94 Ca -0.38 -0.46 -0.13 0.00 0.77 0.00 0.00 66.41 66.21 2jqn h THR 94 Cb 1.19 0.00 -0.22 0.00 -1.74 0.00 0.00 68.15 67.38 2jqn h THR 94 CO 0.81 0.00 -0.34 -0.60 0.37 0.00 0.00 175.52 175.76 2jqn s ARG 95 N -3.43 0.51 -0.37 6.66 3.52 -0.49 -5.04 118.95 120.30 2jqn s ARG 95 Ca -0.08 0.04 -0.05 0.00 -0.13 0.00 0.00 55.73 55.51 2jqn s ARG 95 Cb 0.01 0.23 0.07 0.00 -1.56 0.00 0.00 34.95 33.70 2jqn s ARG 95 CO 0.25 -0.12 0.15 -1.83 -0.81 0.00 0.00 175.30 172.94 2jqn s GLU 96 N -0.71 2.38 -0.94 5.12 -1.05 -1.26 -1.15 118.70 121.09 2jqn s GLU 96 Ca -0.08 -1.47 -0.20 0.00 -0.15 0.00 0.00 54.97 53.07 2jqn s GLU 96 Cb -0.04 -3.51 0.11 0.00 -0.44 0.00 0.00 34.13 30.25 2jqn s GLU 96 CO 0.02 -0.85 1.18 0.00 0.95 0.00 0.00 175.26 176.56 2jqn s ALA 97 N 1.29 3.24 -0.37 -0.84 0.00 -0.51 -4.89 121.76 119.68 2jqn s ALA 97 Ca 0.02 -2.65 -0.29 0.00 0.00 0.00 0.00 51.96 49.04 2jqn s ALA 97 Cb -0.21 -4.14 -0.00 0.00 0.00 0.00 0.00 23.12 18.77 2jqn s ALA 97 CO -0.01 -3.10 1.58 0.16 0.00 0.00 0.00 175.76 174.40 2jqn s ASP 98 N 3.89 6.15 -0.25 0.00 -4.77 -1.26 -0.55 116.67 119.87 2jqn s ASP 98 Ca 0.35 1.05 -0.01 0.00 -3.30 0.00 0.00 52.55 50.64 2jqn s ASP 98 Cb -0.04 -2.53 0.08 0.00 -1.09 0.00 0.00 42.92 39.33 2jqn s ASP 98 CO -0.09 -1.54 0.03 -0.76 0.70 0.00 0.00 175.17 173.51 2jqn s LEU 99 N 6.03 2.08 0.29 2.11 1.43 -0.76 -4.97 118.68 124.89 2jqn s LEU 99 Ca 0.69 -1.26 -0.29 0.00 -1.03 0.00 0.00 54.13 52.24 2jqn s LEU 99 Cb -0.18 -0.89 -0.10 0.00 0.03 0.00 0.00 46.19 45.06 2jqn s LEU 99 CO 0.33 -0.33 1.16 -1.81 0.23 0.00 0.00 176.35 175.93 2jqn s ASP 100 N 1.61 7.12 0.64 2.29 1.01 -1.26 -2.84 116.67 125.23 2jqn s ASP 100 Ca 0.02 2.39 -0.11 0.00 0.71 0.00 0.00 52.55 55.56 2jqn s ASP 100 Cb -0.18 -2.63 -0.03 0.00 1.01 0.00 0.00 42.92 41.09 2jqn s ASP 100 CO -0.14 -0.26 1.04 -0.76 0.21 0.00 0.00 175.17 175.26 2jqn s LEU 101 N -1.52 3.19 0.19 1.23 1.43 -1.24 -4.90 118.68 117.07 2jqn s LEU 101 Ca 0.46 1.44 -0.14 0.00 -1.03 0.00 0.00 54.13 54.86 2jqn s LEU 101 Cb -0.34 -4.44 0.01 0.00 0.03 0.00 0.00 46.19 41.45 2jqn s LEU 101 CO 0.44 -1.02 0.44 -0.62 0.23 0.00 0.00 176.35 175.83 2jqn s ASP 102 N -4.11 -0.13 0.00 2.29 2.15 -1.26 -4.87 116.67 110.73 2jqn s ASP 102 Ca 0.56 -0.68 0.00 0.00 0.43 0.00 0.00 52.55 52.86 2jqn s ASP 102 Cb -0.12 0.54 0.00 0.00 -0.30 0.00 0.00 42.92 43.04 2jqn s ASP 102 CO 0.54 -1.02 0.00 0.00 -0.17 0.00 0.00 175.17 174.52 2jqn n ALA 103 N -0.31 0.00 -0.02 3.66 0.00 -1.26 -0.22 120.51 122.36 2jqn n ALA 103 Ca -0.08 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.40 2jqn n ALA 103 Cb 0.62 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.96 2jqn n ALA 103 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2jqn n ASP 104 N 2.59 1.52 0.00 0.00 -0.08 -1.26 -4.98 116.55 114.33 2jqn n ASP 104 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 2jqn n ASP 104 Cb 0.00 1.47 0.00 0.00 2.34 0.00 0.00 41.12 44.93 2jqn n ASP 104 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2jqn n GLY 105 N 1.77 1.72 2.34 0.27 0.00 0.69 -4.42 105.19 107.56 2jqn n GLY 105 Ca -0.08 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.68 2jqn n GLY 105 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2jqn n VAL 106 N 0.00 -0.57 0.00 1.61 0.31 -1.19 -3.81 118.33 114.68 2jqn n VAL 106 Ca 0.00 -3.89 0.00 0.00 -0.01 0.00 0.00 64.34 60.44 2jqn n VAL 106 Cb 0.00 -1.85 0.00 0.00 -0.91 0.00 0.00 33.84 31.08 2jqn n VAL 106 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2jqn n PRO 107 N 2.04 0.00 0.00 5.55 -0.05 -1.26 -4.93 135.00 136.35 2jqn n PRO 107 Ca 0.26 0.25 0.00 0.00 -0.05 0.00 0.00 63.50 63.95 2jqn n PRO 107 Cb 0.49 -0.71 0.00 0.00 -0.05 0.00 0.00 33.50 33.22 2jqn n PRO 107 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 175.50 176.49 2jqn n GLN 108 N -1.53 0.00 0.00 0.54 6.02 -1.26 -2.52 117.38 118.63 2jqn n GLN 108 Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 57.00 57.01 2jqn n GLN 108 Cb 0.00 0.00 0.10 0.00 1.02 0.00 0.00 30.24 31.36 2jqn n GLN 108 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2jqn n LEU 109 N 0.00 0.00 0.13 1.08 4.32 -1.26 -3.71 117.00 117.56 2jqn n LEU 109 Ca 0.00 0.00 0.19 0.00 -0.02 0.00 0.00 56.01 56.18 2jqn n LEU 109 Cb 0.00 0.00 0.73 0.00 -1.62 0.00 0.00 43.42 42.53 2jqn n LEU 109 CO 0.00 0.00 1.17 1.23 -1.22 0.00 0.00 177.39 178.57 2jqn h GLY 110 N 1.33 0.00 0.13 -0.72 0.00 -1.83 0.18 103.07 102.16 2jqn h GLY 110 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.02 2jqn h GLY 110 CO 0.00 0.00 -2.24 2.09 0.00 0.00 0.00 176.54 176.39 2jqn n ASP 111 N -3.47 0.12 -0.03 0.19 5.75 -1.24 -4.51 116.55 113.35 2jqn n ASP 111 Ca 0.06 0.05 -0.09 0.00 -0.01 0.00 0.00 54.79 54.81 2jqn n ASP 111 Cb 0.63 0.99 0.07 0.00 -1.03 0.00 0.00 41.12 41.78 2jqn n ASP 111 CO 0.00 0.00 0.00 0.45 -0.11 0.00 0.00 177.20 177.54 2jqn h HIS 112 N 0.00 0.77 -1.76 2.11 3.86 -0.99 -3.44 115.15 115.69 2jqn h HIS 112 Ca -0.44 -0.23 -0.48 0.00 -1.16 0.00 0.00 60.37 58.05 2jqn h HIS 112 Cb 2.05 -0.16 -0.03 0.00 1.06 0.00 0.00 27.41 30.33 2jqn h HIS 112 CO 0.00 0.96 -0.41 -0.51 0.86 0.00 0.00 177.93 178.83 2jqn s LEU 113 N -8.56 3.63 -1.63 2.43 1.43 -0.03 -4.55 118.68 111.40 2jqn s LEU 113 Ca -0.08 -0.48 0.00 0.00 -1.03 0.00 0.00 54.13 52.54 2jqn s LEU 113 Cb 0.12 -2.30 0.00 0.00 0.03 0.00 0.00 46.19 44.04 2jqn s LEU 113 CO 0.84 -0.44 0.00 0.00 0.23 0.00 0.00 176.35 176.98 2jqn n ALA 114 N -1.47 -0.38 -1.68 4.21 0.00 -1.26 -4.89 120.51 115.04 2jqn n ALA 114 Ca -0.00 0.21 -0.37 0.00 0.00 0.00 0.00 53.44 53.28 2jqn n ALA 114 Cb 0.60 -1.82 -0.05 0.00 0.00 0.00 0.00 19.45 18.17 2jqn n ALA 114 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2jqn n LEU 115 N -2.18 3.82 0.00 0.00 -0.00 -1.26 -5.15 117.00 112.23 2jqn n LEU 115 Ca -0.19 -3.15 0.11 0.00 -0.00 0.00 0.00 56.01 52.79 2jqn n LEU 115 Cb 0.60 -1.46 0.67 0.00 -0.00 0.00 0.00 43.42 43.24 2jqn n LEU 115 CO 0.25 -0.91 0.86 1.21 -0.00 0.00 0.00 177.39 178.80