#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 4.82 -0.06 2.03 2.01 -1.26 -5.04 115.64 118.15 2jqn s THR 2 Ca 0.00 1.72 0.03 0.00 0.31 0.00 0.00 61.69 63.75 2jqn s THR 2 Cb 0.00 -4.18 0.01 0.00 0.01 0.00 0.00 72.50 68.34 2jqn s THR 2 CO 0.00 -0.05 -0.13 -0.22 -0.69 0.00 0.00 174.62 173.53 2jqn s LEU 3 N 2.57 1.73 0.04 4.42 1.98 -1.26 -0.97 118.68 127.19 2jqn s LEU 3 Ca 0.39 -0.30 0.06 0.00 -2.89 0.00 0.00 54.13 51.39 2jqn s LEU 3 Cb -0.16 -0.83 -0.03 0.00 0.66 0.00 0.00 46.19 45.83 2jqn s LEU 3 CO 0.10 0.07 -0.14 0.27 -1.89 0.00 0.00 176.35 174.76 2jqn s ILE 4 N 0.45 3.13 0.07 6.68 -4.36 -0.53 -4.69 121.20 121.94 2jqn s ILE 4 Ca -0.11 -1.09 0.08 0.00 -0.26 0.00 0.00 60.65 59.27 2jqn s ILE 4 Cb -0.14 -2.36 -0.03 0.00 1.25 0.00 0.00 42.46 41.18 2jqn s ILE 4 CO 0.03 0.31 -0.22 -0.31 0.24 0.00 0.00 174.94 174.99 2jqn s TYR 5 N -1.00 1.91 -0.24 1.37 1.51 -0.03 -1.19 117.35 119.68 2jqn s TYR 5 Ca 0.16 -0.39 -0.11 0.00 -1.01 0.00 0.00 57.07 55.72 2jqn s TYR 5 Cb -0.11 -1.11 0.09 0.00 -0.11 0.00 0.00 41.96 40.73 2jqn s TYR 5 CO 0.07 0.14 0.56 0.21 -1.11 0.00 0.00 175.55 175.42 2jqn s LYS 6 N -1.44 0.52 -0.08 -0.62 2.20 -0.81 -0.70 119.74 118.81 2jqn s LYS 6 Ca 0.08 1.15 -0.14 0.00 -0.36 0.00 0.00 55.97 56.70 2jqn s LYS 6 Cb -0.09 0.33 -0.05 0.00 -1.51 0.00 0.00 37.83 36.51 2jqn s LYS 6 CO 0.03 -0.19 0.34 0.42 -0.36 0.00 0.00 175.35 175.60 2jqn s ILE 7 N 2.12 5.20 0.24 5.43 1.01 -1.26 -0.82 121.20 133.12 2jqn s ILE 7 Ca -0.07 0.68 -0.03 0.00 0.00 0.00 0.00 60.65 61.23 2jqn s ILE 7 Cb -0.09 -3.66 -0.03 0.00 0.01 0.00 0.00 42.46 38.70 2jqn s ILE 7 CO -0.17 0.50 0.27 -1.48 0.00 0.00 0.00 174.94 174.07 2jqn s LEU 8 N -0.42 1.00 0.32 2.97 2.34 -0.49 -4.94 118.68 119.46 2jqn s LEU 8 Ca 0.21 -1.33 -0.27 0.00 0.06 0.00 0.00 54.13 52.79 2jqn s LEU 8 Cb -0.15 0.86 -0.09 0.00 -0.56 0.00 0.00 46.19 46.25 2jqn s LEU 8 CO 0.09 -0.99 1.04 -0.44 -1.06 0.00 0.00 176.35 174.99 2jqn s SER 9 N -3.16 7.15 0.21 1.48 0.01 -1.26 -0.00 113.70 118.13 2jqn s SER 9 Ca 0.34 2.10 -0.09 0.00 1.31 0.00 0.00 55.95 59.62 2jqn s SER 9 Cb 0.04 -2.61 0.27 0.00 0.21 0.00 0.00 66.02 63.93 2jqn s SER 9 CO 0.14 -0.22 1.79 -0.09 0.41 0.00 0.00 173.24 175.28 2jqn h ARG 10 N 3.33 0.62 -0.97 12.44 9.65 -0.91 -0.44 114.38 138.09 2jqn h ARG 10 Ca -0.47 -0.04 0.04 0.00 -1.10 0.00 0.00 59.98 58.41 2jqn h ARG 10 Cb 1.21 -0.14 -0.06 0.00 -1.39 0.00 0.00 29.97 29.59 2jqn h ARG 10 CO 0.65 0.41 0.64 0.00 2.80 0.00 0.00 179.97 184.47 2jqn h ALA 11 N 1.38 1.38 -0.28 2.80 0.00 -1.93 0.24 119.26 122.84 2jqn h ALA 11 Ca 0.31 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.07 2jqn h ALA 11 Cb 0.25 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2jqn h ALA 11 CO -0.22 0.53 -0.23 1.49 0.00 0.00 0.00 179.25 180.82 2jqn h GLU 12 N 1.22 0.65 -0.28 0.00 4.81 -1.65 -2.66 114.58 116.67 2jqn h GLU 12 Ca 0.39 -0.33 -0.09 0.00 -0.13 0.00 0.00 59.36 59.20 2jqn h GLU 12 Cb 0.02 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 2jqn h GLU 12 CO -0.12 0.93 -0.19 2.35 -0.73 0.00 0.00 179.01 181.25 2jqn h TRP 13 N 0.38 0.56 0.21 0.92 2.91 -0.78 -2.02 115.95 118.14 2jqn h TRP 13 Ca 0.05 -0.10 -0.01 0.00 1.13 0.00 0.00 58.89 59.96 2jqn h TRP 13 Cb 0.79 -0.14 0.00 0.00 -0.51 0.00 0.00 29.16 29.30 2jqn h TRP 13 CO 0.07 0.67 -0.10 0.22 -1.03 0.00 0.00 178.44 178.27 2jqn h ASP 14 N 0.46 -0.24 -1.01 2.65 3.58 -0.45 0.60 116.42 122.01 2jqn h ASP 14 Ca 0.08 0.01 0.11 0.00 0.42 0.00 0.00 57.03 57.64 2jqn h ASP 14 Cb 0.59 0.06 -0.08 0.00 1.72 0.00 0.00 39.33 41.62 2jqn h ASP 14 CO 0.04 -0.17 0.64 0.00 -2.88 0.00 0.00 179.24 176.87 2jqn h ALA 15 N 0.51 1.49 -0.43 -0.78 0.00 -1.41 -0.69 119.26 117.95 2jqn h ALA 15 Ca -0.03 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.90 2jqn h ALA 15 Cb 0.22 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2jqn h ALA 15 CO 0.05 0.29 0.28 0.00 0.00 0.00 0.00 179.25 179.87 2jqn h ALA 16 N 1.52 0.55 -0.57 0.00 0.00 -0.75 -1.09 119.26 118.92 2jqn h ALA 16 Ca 0.48 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.36 2jqn h ALA 16 Cb 0.40 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 2jqn h ALA 16 CO -0.24 -0.01 0.32 0.87 0.00 0.00 0.00 179.25 180.19 2jqn h LYS 17 N 0.57 0.77 -0.68 0.00 1.57 0.10 0.20 116.57 119.11 2jqn h LYS 17 Ca 0.16 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.85 2jqn h LYS 17 Cb -0.05 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.06 2jqn h LYS 17 CO -0.04 0.57 0.36 0.00 -0.57 0.00 0.00 179.45 179.76 2jqn h ALA 18 N 1.57 0.87 0.00 3.86 0.00 -0.62 -2.42 119.26 122.52 2jqn h ALA 18 Ca 0.20 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 2jqn h ALA 18 Cb 0.01 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 2jqn h ALA 18 CO -0.03 0.40 -0.36 1.96 0.00 0.00 0.00 179.25 181.22 2jqn h GLN 19 N 0.93 0.00 0.00 0.00 1.08 -0.28 -3.47 115.11 113.38 2jqn h GLN 19 Ca 0.24 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.44 2jqn h GLN 19 Cb 0.06 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.49 2jqn h GLN 19 CO -0.04 0.36 0.00 0.41 -0.95 0.00 0.00 178.83 178.61 2jqn n GLY 20 N 0.04 1.07 3.26 3.46 0.00 0.62 -4.96 105.19 108.68 2jqn n GLY 20 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.15 0.40 -0.04 1.61 3.52 -1.17 -1.28 118.95 121.85 2jqn s ARG 21 Ca 0.00 0.65 0.01 0.00 -0.13 0.00 0.00 55.73 56.26 2jqn s ARG 21 Cb 0.00 0.08 0.02 0.00 -1.56 0.00 0.00 34.95 33.49 2jqn s ARG 21 CO 0.00 -0.11 -0.04 0.12 -0.81 0.00 0.00 175.30 174.46 2jqn s PHE 22 N 0.84 0.67 0.00 5.12 5.36 0.53 -4.84 117.98 125.67 2jqn s PHE 22 Ca -0.05 -0.17 0.00 0.00 -0.96 0.00 0.00 56.93 55.75 2jqn s PHE 22 Cb -0.06 -0.61 0.00 0.00 -0.34 0.00 0.00 43.02 42.01 2jqn s PHE 22 CO -0.06 -0.17 0.00 -0.85 -1.46 0.00 0.00 175.22 172.68 2jqn n GLU 23 N 3.99 0.00 0.00 10.12 0.00 -1.26 0.18 120.64 133.67 2jqn n GLU 23 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 57.16 56.91 2jqn n GLU 23 Cb 0.51 -0.23 0.00 0.00 0.00 0.00 0.00 31.44 31.72 2jqn n GLU 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2jqn n GLY 24 N 2.08 2.75 0.00 -1.84 0.00 -1.26 -4.74 105.19 102.17 2jqn n GLY 24 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2jqn n GLY 24 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2jqn n SER 25 N 0.00 0.00 0.23 1.61 2.88 -1.26 -5.02 113.62 112.06 2jqn n SER 25 Ca 0.00 -0.49 -0.13 0.00 -1.33 0.00 0.00 58.87 56.92 2jqn n SER 25 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 2jqn n SER 25 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jqn h ALA 26 N 2.00 -1.07 -0.98 -1.46 0.00 -2.03 0.35 119.26 116.07 2jqn h ALA 26 Ca 0.00 -0.14 0.09 0.00 0.00 0.00 0.00 54.91 54.86 2jqn h ALA 26 Cb 0.00 0.54 -0.08 0.00 0.00 0.00 0.00 17.79 18.25 2jqn h ALA 26 CO 0.00 -1.07 0.62 -0.24 0.00 0.00 0.00 179.25 178.56 2jqn h VAL 27 N -0.73 0.99 0.26 0.00 3.04 -1.98 0.14 116.25 117.97 2jqn h VAL 27 Ca -0.05 -0.36 0.00 0.00 -1.01 0.00 0.00 66.70 65.28 2jqn h VAL 27 Cb 0.62 -0.15 -0.02 0.00 -2.01 0.00 0.00 31.29 29.73 2jqn h VAL 27 CO -0.01 0.19 -0.26 -0.78 -1.01 0.00 0.00 177.57 175.71 2jqn h ASP 28 N 1.05 -0.69 0.74 3.17 3.58 -1.82 -1.75 116.42 120.70 2jqn h ASP 28 Ca 0.46 0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.97 2jqn h ASP 28 Cb 0.34 0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.62 2jqn h ASP 28 CO -0.22 -0.37 0.00 0.18 -2.88 0.00 0.00 179.24 175.94 2jqn n LEU 29 N -5.38 0.50 0.17 2.28 4.77 0.09 -0.21 117.00 119.23 2jqn n LEU 29 Ca -0.09 0.61 -0.14 0.00 -0.03 0.00 0.00 56.01 56.37 2jqn n LEU 29 Cb 0.29 -0.53 -0.08 0.00 -2.33 0.00 0.00 43.42 40.76 2jqn n LEU 29 CO 0.29 -0.44 0.56 0.00 -1.33 0.00 0.00 177.39 176.48 2jqn h ALA 30 N 2.37 -0.45 0.17 -1.18 0.00 0.17 -3.32 119.26 117.03 2jqn h ALA 30 Ca 0.00 -0.18 -0.26 0.00 0.00 0.00 0.00 54.91 54.47 2jqn h ALA 30 Cb 0.37 0.17 0.03 0.00 0.00 0.00 0.00 17.79 18.36 2jqn h ALA 30 CO 0.00 -0.60 -1.11 0.38 0.00 0.00 0.00 179.25 177.92 2jqn h ASP 31 N -0.75 0.68 0.00 0.00 3.04 -1.43 -3.49 116.42 114.47 2jqn h ASP 31 Ca -0.05 -0.91 0.00 0.00 -3.24 0.00 0.00 57.03 52.83 2jqn h ASP 31 Cb 0.50 -0.22 0.00 0.00 -1.04 0.00 0.00 39.33 38.57 2jqn h ASP 31 CO 0.07 1.54 0.00 0.61 -2.04 0.00 0.00 179.24 179.42 2jqn n GLY 32 N 1.61 1.58 3.19 7.15 0.00 0.71 -5.13 105.19 114.30 2jqn n GLY 32 Ca -0.15 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.00 -0.34 -0.92 1.61 -0.12 -1.10 -4.95 117.98 110.16 2jqn s PHE 33 Ca 0.00 0.82 -0.25 0.00 -0.05 0.00 0.00 56.93 57.45 2jqn s PHE 33 Cb 0.00 0.11 -0.11 0.00 -0.63 0.00 0.00 43.02 42.39 2jqn s PHE 33 CO 0.00 -0.17 2.14 0.42 -0.05 0.00 0.00 175.22 177.56 2jqn s ILE 34 N 0.24 3.24 -0.40 -4.49 1.01 -0.74 -4.82 121.20 115.25 2jqn s ILE 34 Ca -0.01 -0.27 -0.19 0.00 0.00 0.00 0.00 60.65 60.19 2jqn s ILE 34 Cb -0.03 -3.72 0.01 0.00 0.01 0.00 0.00 42.46 38.74 2jqn s ILE 34 CO -0.00 -0.49 0.56 -1.38 0.00 0.00 0.00 174.94 173.62 2jqn s HIS 35 N 12.90 3.13 0.00 3.97 -3.43 -1.26 0.01 115.29 130.60 2jqn s HIS 35 Ca 0.80 -0.00 0.00 0.00 -0.80 0.00 0.00 55.06 55.05 2jqn s HIS 35 Cb -0.08 -3.10 0.00 0.00 -1.43 0.00 0.00 32.58 27.97 2jqn s HIS 35 CO 0.07 -0.71 0.00 1.28 -2.00 0.00 0.00 174.74 173.38 2jqn n LEU 36 N 5.94 0.00 -3.94 5.38 4.32 -0.16 -5.01 117.00 123.54 2jqn n LEU 36 Ca -0.04 0.00 -0.10 0.00 -0.02 0.00 0.00 56.01 55.86 2jqn n LEU 36 Cb 0.48 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 42.18 2jqn n LEU 36 CO 0.49 -0.03 -0.25 -0.94 -1.22 0.00 0.00 177.39 175.44 2jqn s SER 37 N -1.00 0.18 1.09 -1.43 1.04 0.12 -4.12 113.70 109.59 2jqn s SER 37 Ca 0.00 -0.49 -0.18 0.00 0.48 0.00 0.00 55.95 55.76 2jqn s SER 37 Cb 0.00 0.19 0.25 0.00 0.10 0.00 0.00 66.02 66.56 2jqn s SER 37 CO 0.00 -0.44 1.23 0.00 0.98 0.00 0.00 173.24 175.01 2jqn s ALA 38 N -2.17 1.44 0.02 5.32 0.00 -1.26 -0.85 121.76 124.26 2jqn s ALA 38 Ca -0.09 -1.15 -0.09 0.00 0.00 0.00 0.00 51.96 50.64 2jqn s ALA 38 Cb -0.04 -2.80 -0.04 0.00 0.00 0.00 0.00 23.12 20.24 2jqn s ALA 38 CO -0.03 -3.06 1.14 0.78 0.00 0.00 0.00 175.76 174.59 2jqn h GLY 39 N -2.15 -0.87 0.61 0.00 0.00 -1.94 0.24 103.07 98.97 2jqn h GLY 39 Ca -0.44 0.39 0.08 0.00 0.00 0.00 0.00 47.33 47.35 2jqn h GLY 39 CO 0.33 -0.30 0.45 0.83 0.00 0.00 0.00 176.54 177.85 2jqn h GLU 40 N -0.25 0.77 -0.67 4.80 3.07 -1.98 -2.19 114.58 118.14 2jqn h GLU 40 Ca -0.01 -0.05 0.06 0.00 -0.50 0.00 0.00 59.36 58.86 2jqn h GLU 40 Cb 0.21 -0.17 -0.06 0.00 -0.84 0.00 0.00 28.75 27.89 2jqn h GLU 40 CO -0.02 0.51 0.37 1.96 -1.40 0.00 0.00 179.01 180.43 2jqn h GLN 41 N 0.80 0.65 -0.66 2.33 4.20 -1.90 0.28 115.11 120.81 2jqn h GLN 41 Ca 0.36 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 59.04 2jqn h GLN 41 Cb 0.27 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 27.87 2jqn h GLN 41 CO -0.21 0.43 0.43 0.00 -0.67 0.00 0.00 178.83 178.81 2jqn h ALA 42 N 1.35 0.83 -0.60 3.87 0.00 -0.35 -1.38 119.26 122.99 2jqn h ALA 42 Ca 0.30 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 2jqn h ALA 42 Cb 0.20 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2jqn h ALA 42 CO -0.19 0.27 0.14 0.37 0.00 0.00 0.00 179.25 179.84 2jqn h GLN 43 N 0.89 0.93 0.16 0.00 4.15 -0.81 0.19 115.11 120.62 2jqn h GLN 43 Ca 0.24 -0.20 -0.01 0.00 0.77 0.00 0.00 58.65 59.45 2jqn h GLN 43 Cb -0.09 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 27.47 2jqn h GLN 43 CO -0.05 0.84 -0.08 0.93 -1.93 0.00 0.00 178.83 178.54 2jqn h GLU 44 N 0.89 -0.20 -0.50 1.69 5.08 -0.60 0.20 114.58 121.13 2jqn h GLU 44 Ca 0.19 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.56 2jqn h GLU 44 Cb 0.33 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 2jqn h GLU 44 CO 0.00 -0.03 0.29 1.15 -1.00 0.00 0.00 179.01 179.41 2jqn h THR 45 N -0.34 1.15 -0.06 1.13 2.02 -1.12 -2.58 112.91 113.11 2jqn h THR 45 Ca -0.02 -0.37 -0.02 0.00 0.77 0.00 0.00 66.41 66.78 2jqn h THR 45 Cb 0.27 0.46 -0.00 0.00 -1.74 0.00 0.00 68.15 67.13 2jqn h THR 45 CO 0.04 0.16 -0.02 0.00 0.37 0.00 0.00 175.52 176.07 2jqn h ALA 46 N 1.62 0.08 0.00 6.16 0.00 -0.35 0.23 119.26 127.00 2jqn h ALA 46 Ca 0.18 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2jqn h ALA 46 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2jqn h ALA 46 CO -0.03 -0.19 0.00 0.00 0.00 0.00 0.00 179.25 179.03 2jqn n ALA 47 N -2.32 1.27 -0.06 0.00 0.00 0.68 -0.73 120.51 119.34 2jqn n ALA 47 Ca -0.07 0.16 -0.06 0.00 0.00 0.00 0.00 53.44 53.47 2jqn n ALA 47 Cb 0.23 -1.35 -0.02 0.00 0.00 0.00 0.00 19.45 18.32 2jqn n ALA 47 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2jqn n LYS 48 N -2.26 0.36 -0.07 0.00 4.81 -0.99 -4.70 118.16 115.30 2jqn n LYS 48 Ca -0.00 0.18 -0.18 0.00 -0.87 0.00 0.00 58.31 57.43 2jqn n LYS 48 Cb 0.11 -1.17 -0.13 0.00 0.02 0.00 0.00 35.03 33.86 2jqn n LYS 48 CO 0.00 0.00 0.00 -1.49 1.17 0.00 0.00 177.40 177.08 2jqn h TRP 49 N -0.70 0.07 -1.87 5.64 4.06 -0.56 -3.39 115.95 119.20 2jqn h TRP 49 Ca 0.00 -0.05 -0.75 0.00 2.06 0.00 0.00 58.89 60.14 2jqn h TRP 49 Cb 0.66 -0.00 -0.24 0.00 -1.00 0.00 0.00 29.16 28.58 2jqn h TRP 49 CO -0.28 1.29 1.20 1.19 -3.56 0.00 0.00 178.44 178.27 2jqn n PHE 50 N -4.44 2.67 -0.22 0.49 3.72 0.09 -4.79 117.46 114.98 2jqn n PHE 50 Ca -0.21 -2.47 0.21 0.00 -0.05 0.00 0.00 57.45 54.93 2jqn n PHE 50 Cb 0.63 -1.32 0.55 0.00 -0.94 0.00 0.00 39.48 38.40 2jqn n PHE 50 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 2jqn h ARG 51 N 3.80 0.31 0.00 -1.08 2.43 -1.68 -3.39 114.38 114.77 2jqn h ARG 51 Ca 0.56 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.71 2jqn h ARG 51 Cb 0.28 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 2jqn h ARG 51 CO 1.27 0.21 0.00 0.41 -1.51 0.00 0.00 179.97 180.34 2jqn n GLY 52 N -1.55 0.00 3.72 2.80 0.00 -1.26 -4.50 105.19 104.40 2jqn n GLY 52 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 2jqn n GLY 52 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jqn s GLN 53 N 0.00 4.64 -1.35 1.61 -0.21 -1.26 -4.96 119.66 118.12 2jqn s GLN 53 Ca 0.00 1.50 -0.06 0.00 0.02 0.00 0.00 55.36 56.81 2jqn s GLN 53 Cb 0.00 -3.38 0.10 0.00 1.00 0.00 0.00 33.01 30.73 2jqn s GLN 53 CO 0.00 0.11 2.38 0.00 -2.12 0.00 0.00 175.29 175.66 2jqn n ALA 54 N 3.05 6.70 -1.70 6.09 0.00 -1.26 -3.89 120.51 129.50 2jqn n ALA 54 Ca 0.04 -4.05 -0.03 0.00 0.00 0.00 0.00 53.44 49.40 2jqn n ALA 54 Cb 0.49 -2.87 -0.03 0.00 0.00 0.00 0.00 19.45 17.04 2jqn n ALA 54 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2jqn n ASN 55 N 2.24 -0.41 -4.70 0.00 0.23 -1.26 -5.05 115.26 106.31 2jqn n ASN 55 Ca 0.61 -0.82 -0.34 0.00 -0.53 0.00 0.00 54.58 53.50 2jqn n ASN 55 Cb 0.26 0.12 -0.09 0.00 -2.08 0.00 0.00 39.78 37.99 2jqn n ASN 55 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 2jqn s LEU 56 N 0.00 3.63 -0.16 -4.53 1.43 -1.25 -0.23 118.68 117.57 2jqn s LEU 56 Ca 0.00 0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.22 2jqn s LEU 56 Cb 0.00 -1.93 0.03 0.00 0.03 0.00 0.00 46.19 44.32 2jqn s LEU 56 CO 0.00 0.34 -0.11 -0.69 0.23 0.00 0.00 176.35 176.13 2jqn s VAL 57 N -0.98 1.44 -0.61 -1.59 1.01 1.00 -0.32 120.40 120.35 2jqn s VAL 57 Ca 0.16 -0.70 -0.20 0.00 0.00 0.00 0.00 61.98 61.24 2jqn s VAL 57 Cb -0.11 -1.46 0.10 0.00 0.00 0.00 0.00 36.38 34.90 2jqn s VAL 57 CO 0.06 0.30 0.77 -0.22 0.00 0.00 0.00 175.10 176.00 2jqn s LEU 58 N 1.51 5.15 -0.44 3.92 2.96 0.46 -1.39 118.68 130.84 2jqn s LEU 58 Ca 0.02 -1.32 -0.29 0.00 -0.22 0.00 0.00 54.13 52.32 2jqn s LEU 58 Cb -0.14 -2.33 0.01 0.00 0.50 0.00 0.00 46.19 44.23 2jqn s LEU 58 CO -0.09 -1.19 1.38 -0.76 -1.32 0.00 0.00 176.35 174.36 2jqn s LEU 59 N 3.02 3.56 -0.38 -0.68 1.43 -0.00 -0.81 118.68 124.81 2jqn s LEU 59 Ca 0.14 0.70 -0.15 0.00 -1.03 0.00 0.00 54.13 53.80 2jqn s LEU 59 Cb -0.22 -3.48 0.01 0.00 0.03 0.00 0.00 46.19 42.53 2jqn s LEU 59 CO 0.07 -1.45 0.30 0.00 0.23 0.00 0.00 176.35 175.49 2jqn s ALA 60 N 5.41 3.49 -0.03 4.21 0.00 -0.02 -1.93 121.76 132.88 2jqn s ALA 60 Ca 0.58 -1.56 0.07 0.00 0.00 0.00 0.00 51.96 51.05 2jqn s ALA 60 Cb -0.12 -2.83 -0.02 0.00 0.00 0.00 0.00 23.12 20.15 2jqn s ALA 60 CO 0.32 -1.29 -0.25 0.08 0.00 0.00 0.00 175.76 174.62 2jqn s VAL 61 N 1.75 1.98 -0.38 0.00 1.01 -0.33 -0.85 120.40 123.57 2jqn s VAL 61 Ca 0.06 -1.05 -0.28 0.00 0.00 0.00 0.00 61.98 60.71 2jqn s VAL 61 Cb -0.18 -1.65 -0.01 0.00 0.00 0.00 0.00 36.38 34.53 2jqn s VAL 61 CO 0.11 0.56 1.75 -1.83 0.00 0.00 0.00 175.10 175.69 2jqn s GLU 62 N -0.43 3.26 0.00 2.72 -1.05 -1.26 -1.45 118.70 120.50 2jqn s GLU 62 Ca 0.05 1.24 0.26 0.00 -0.15 0.00 0.00 54.97 56.37 2jqn s GLU 62 Cb -0.11 -4.20 1.23 0.00 -0.44 0.00 0.00 34.13 30.61 2jqn s GLU 62 CO 0.01 -1.95 1.83 0.00 0.95 0.00 0.00 175.26 176.10 2jqn n ALA 63 N 10.45 2.60 -0.07 -0.84 0.00 -0.15 -4.06 120.51 128.44 2jqn n ALA 63 Ca 0.22 -0.34 -0.15 0.00 0.00 0.00 0.00 53.44 53.17 2jqn n ALA 63 Cb 0.48 -1.27 -0.13 0.00 0.00 0.00 0.00 19.45 18.53 2jqn n ALA 63 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2jqn h GLU 64 N 1.32 0.00 -0.46 0.00 5.08 -1.90 -2.13 114.58 116.50 2jqn h GLU 64 Ca 0.00 -0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.44 2jqn h GLU 64 Cb 0.28 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.46 2jqn h GLU 64 CO 0.00 1.00 0.00 -1.35 -1.00 0.00 0.00 179.01 177.67 2jqn h PRO 65 N -0.99 0.11 -0.50 2.33 0.11 -1.95 -1.55 132.00 129.56 2jqn h PRO 65 Ca -0.03 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.07 2jqn h PRO 65 Cb 1.03 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.11 2jqn h PRO 65 CO -0.01 0.08 0.00 1.47 -0.21 0.00 0.00 178.00 179.32 2jqn n LEU 66 N -5.21 2.68 0.18 2.35 -0.00 -1.26 -4.51 117.00 111.22 2jqn n LEU 66 Ca 0.04 -1.34 0.14 0.00 -0.00 0.00 0.00 56.01 54.86 2jqn n LEU 66 Cb 0.25 -0.34 0.74 0.00 -0.00 0.00 0.00 43.42 44.06 2jqn n LEU 66 CO 0.17 0.63 1.13 1.23 -0.00 0.00 0.00 177.39 180.55 2jqn h GLY 67 N 4.91 0.00 2.00 1.47 0.00 -0.56 -1.10 103.07 109.79 2jqn h GLY 67 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 2jqn h GLY 67 CO 0.03 0.00 -0.20 -2.09 0.00 0.00 0.00 176.54 174.27 2jqn h GLU 68 N 0.00 0.00 -0.49 4.80 4.81 -1.79 -2.00 114.58 119.91 2jqn h GLU 68 Ca 0.09 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 2jqn h GLU 68 Cb 0.39 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.77 2jqn h GLU 68 CO -0.00 0.20 0.00 -0.25 -0.73 0.00 0.00 179.01 178.23 2jqn n ASP 69 N -3.78 3.61 -4.14 1.04 9.92 -0.44 -4.87 116.55 117.89 2jqn n ASP 69 Ca -0.02 -2.18 -0.36 0.00 -0.53 0.00 0.00 54.79 51.71 2jqn n ASP 69 Cb 0.31 -0.39 -0.12 0.00 -0.64 0.00 0.00 41.12 40.27 2jqn n ASP 69 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 2jqn s LEU 70 N -1.33 4.85 -0.50 0.64 2.96 -0.75 -1.85 118.68 122.70 2jqn s LEU 70 Ca 0.37 -1.81 -0.22 0.00 -0.22 0.00 0.00 54.13 52.25 2jqn s LEU 70 Cb 0.21 -1.79 0.04 0.00 0.50 0.00 0.00 46.19 45.15 2jqn s LEU 70 CO 0.21 -0.45 0.75 -0.54 -1.32 0.00 0.00 176.35 175.00 2jqn s LYS 71 N 1.17 3.27 -1.06 1.98 1.02 0.13 -4.83 119.74 121.43 2jqn s LYS 71 Ca 0.05 -0.46 -0.24 0.00 0.02 0.00 0.00 55.97 55.34 2jqn s LYS 71 Cb -0.22 -4.03 -0.07 0.00 -0.52 0.00 0.00 37.83 32.99 2jqn s LYS 71 CO -0.03 -1.24 1.95 -1.58 -0.92 0.00 0.00 175.35 173.53 2jqn s TRP 72 N 3.18 1.86 -0.18 3.18 0.52 -1.26 -0.42 118.94 125.82 2jqn s TRP 72 Ca 0.24 0.61 0.01 0.00 0.02 0.00 0.00 56.10 56.97 2jqn s TRP 72 Cb -0.15 -3.99 0.02 0.00 -1.15 0.00 0.00 33.47 28.20 2jqn s TRP 72 CO 0.17 -1.43 -0.20 -2.00 0.02 0.00 0.00 176.95 173.52 2jqn s GLU 73 N 6.79 3.00 -0.95 4.98 2.12 -0.43 -4.77 118.70 129.44 2jqn s GLU 73 Ca 0.70 -0.83 -0.24 0.00 0.36 0.00 0.00 54.97 54.96 2jqn s GLU 73 Cb -0.04 -2.56 -0.03 0.00 0.26 0.00 0.00 34.13 31.76 2jqn s GLU 73 CO 0.07 -0.19 1.84 0.00 -0.54 0.00 0.00 175.26 176.44 2jqn s ALA 74 N 1.25 1.92 -1.23 6.30 0.00 -1.26 -1.89 121.76 126.84 2jqn s ALA 74 Ca 0.04 -1.73 -0.20 0.00 0.00 0.00 0.00 51.96 50.07 2jqn s ALA 74 Cb -0.13 -4.56 -0.01 0.00 0.00 0.00 0.00 23.12 18.42 2jqn s ALA 74 CO -0.12 -4.56 1.86 -1.13 0.00 0.00 0.00 175.76 171.81 2jqn n SER 75 N 12.82 3.97 -1.22 0.00 3.41 -1.26 -4.85 113.62 126.49 2jqn n SER 75 Ca 0.39 -2.81 0.17 0.00 -0.26 0.00 0.00 58.87 56.36 2jqn n SER 75 Cb 0.48 -1.71 -0.04 0.00 -0.26 0.00 0.00 64.21 62.68 2jqn n SER 75 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2jqn n ARG 76 N 8.14 -2.49 0.00 4.33 1.74 -1.26 -4.84 116.66 122.28 2jqn n ARG 76 Ca 0.47 1.68 0.00 0.00 -0.77 0.00 0.00 57.85 59.23 2jqn n ARG 76 Cb 0.46 -3.03 0.00 0.00 -1.02 0.00 0.00 32.46 28.87 2jqn n ARG 76 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2jqn n GLY 77 N -3.79 1.62 0.00 -0.13 0.00 -1.26 -4.05 105.19 97.58 2jqn n GLY 77 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 0.00 0.76 3.71 -0.02 0.00 -1.26 -5.13 105.19 103.25 2jqn n GLY 78 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2jqn n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jqn s ALA 79 N 0.00 3.29 -0.51 4.61 0.00 -1.26 -4.97 121.76 122.92 2jqn s ALA 79 Ca 0.00 0.27 -0.27 0.00 0.00 0.00 0.00 51.96 51.96 2jqn s ALA 79 Cb 0.00 -3.13 -0.01 0.00 0.00 0.00 0.00 23.12 19.97 2jqn s ALA 79 CO 0.00 -0.22 1.73 1.03 0.00 0.00 0.00 175.76 178.30 2jqn s ARG 80 N 1.05 3.01 -0.23 0.00 0.52 -1.26 -4.11 118.95 117.94 2jqn s ARG 80 Ca 0.43 0.83 -0.16 0.00 -0.52 0.00 0.00 55.73 56.31 2jqn s ARG 80 Cb -0.19 -4.26 -0.04 0.00 0.52 0.00 0.00 34.95 30.98 2jqn s ARG 80 CO 0.21 -2.26 0.41 -0.06 0.02 0.00 0.00 175.30 173.61 2jqn s PHE 81 N 7.67 3.33 -0.34 -0.53 0.08 -0.79 -4.69 117.98 122.70 2jqn s PHE 81 Ca 0.67 0.57 -0.28 0.00 0.12 0.00 0.00 56.93 58.01 2jqn s PHE 81 Cb -0.15 -2.56 -0.02 0.00 -0.57 0.00 0.00 43.02 39.71 2jqn s PHE 81 CO 0.26 -0.10 1.84 -1.25 -0.10 0.00 0.00 175.22 175.87 2jqn s PRO 82 N 1.63 3.26 -0.46 0.24 0.04 -1.26 -1.31 135.00 137.16 2jqn s PRO 82 Ca 0.18 1.43 -0.15 0.00 0.04 0.00 0.00 61.00 62.50 2jqn s PRO 82 Cb -0.15 -4.23 0.06 0.00 0.04 0.00 0.00 34.50 30.22 2jqn s PRO 82 CO 0.09 -1.94 0.37 -1.01 0.04 0.00 0.00 177.00 174.54 2jqn s HIS 83 N 7.18 3.24 -0.02 0.56 3.76 0.44 -0.99 115.29 129.47 2jqn s HIS 83 Ca 0.81 -0.84 -0.15 0.00 -0.15 0.00 0.00 55.06 54.73 2jqn s HIS 83 Cb -0.23 -3.01 -0.05 0.00 1.11 0.00 0.00 32.58 30.40 2jqn s HIS 83 CO 0.33 -0.74 0.40 -1.17 -0.85 0.00 0.00 174.74 172.71 2jqn s LEU 84 N 1.65 4.45 -0.26 0.89 2.96 0.10 -0.69 118.68 127.78 2jqn s LEU 84 Ca 0.04 0.92 0.10 0.00 -0.22 0.00 0.00 54.13 54.97 2jqn s LEU 84 Cb -0.23 -2.57 0.47 0.00 0.50 0.00 0.00 46.19 44.36 2jqn s LEU 84 CO 0.08 0.29 1.36 -1.22 -1.32 0.00 0.00 176.35 175.54 2jqn n TYR 85 N 2.06 0.62 -4.01 5.38 4.02 -0.77 -1.79 117.16 122.68 2jqn n TYR 85 Ca -0.13 -1.56 -0.13 0.00 -0.01 0.00 0.00 57.90 56.06 2jqn n TYR 85 Cb 0.52 -0.39 -0.14 0.00 -0.02 0.00 0.00 39.34 39.32 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 -3.24 0.22 -0.02 -0.72 1.81 -1.26 -5.04 118.95 110.69 2jqn s ARG 86 Ca 0.42 -0.16 -0.30 0.00 -1.72 0.00 0.00 55.73 53.97 2jqn s ARG 86 Cb 0.39 -0.18 -0.07 0.00 -0.45 0.00 0.00 34.95 34.64 2jqn s ARG 86 CO -0.03 0.05 1.74 -2.14 -0.68 0.00 0.00 175.30 174.23 2jqn s PRO 87 N -0.23 4.17 -0.45 3.54 0.02 -1.26 -4.95 135.00 135.84 2jqn s PRO 87 Ca -0.01 2.31 -0.28 0.00 0.02 0.00 0.00 61.00 63.05 2jqn s PRO 87 Cb -0.02 -4.01 0.03 0.00 0.02 0.00 0.00 34.50 30.52 2jqn s PRO 87 CO -0.00 -0.87 1.08 -1.17 -0.33 0.00 0.00 177.00 175.71 2jqn s LEU 88 N 4.05 3.75 0.25 -5.54 2.96 0.13 -4.84 118.68 119.44 2jqn s LEU 88 Ca 0.78 0.46 -0.30 0.00 -0.22 0.00 0.00 54.13 54.84 2jqn s LEU 88 Cb -0.36 -3.46 -0.09 0.00 0.50 0.00 0.00 46.19 42.77 2jqn s LEU 88 CO 0.33 -1.16 1.32 -0.76 -1.32 0.00 0.00 176.35 174.76 2jqn s LEU 89 N 4.20 4.42 0.24 -0.68 2.01 -1.26 -0.35 118.68 127.26 2jqn s LEU 89 Ca 0.45 2.52 -0.06 0.00 0.01 0.00 0.00 54.13 57.06 2jqn s LEU 89 Cb -0.08 -3.62 0.30 0.00 0.01 0.00 0.00 46.19 42.79 2jqn s LEU 89 CO 0.29 -0.54 1.88 0.58 1.01 0.00 0.00 176.35 179.56 2jqn h VAL 90 N 3.48 1.13 0.00 -1.59 2.07 -1.53 0.12 116.25 119.93 2jqn h VAL 90 Ca -0.46 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 66.68 2jqn h VAL 90 Cb 1.22 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 2jqn h VAL 90 CO 0.74 0.20 0.00 -0.24 0.02 0.00 0.00 177.57 178.29 2jqn n SER 91 N -4.53 0.01 0.02 0.57 2.88 -1.26 -2.24 113.62 109.07 2jqn n SER 91 Ca 0.12 0.50 0.11 0.00 -1.33 0.00 0.00 58.87 58.27 2jqn n SER 91 Cb 0.11 -0.51 -0.03 0.00 -0.75 0.00 0.00 64.21 63.03 2jqn n SER 91 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 2jqn n GLU 92 N -1.51 0.32 -2.08 -1.46 2.13 0.34 -4.96 120.64 113.42 2jqn n GLU 92 Ca 0.04 -0.03 -0.38 0.00 0.66 0.00 0.00 57.16 57.45 2jqn n GLU 92 Cb 0.19 -1.58 0.00 0.00 0.27 0.00 0.00 31.44 30.32 2jqn n GLU 92 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2jqn s VAL 93 N -3.23 2.70 -0.14 6.31 1.01 -0.80 -4.88 120.40 121.37 2jqn s VAL 93 Ca 0.02 0.56 -0.27 0.00 0.00 0.00 0.00 61.98 62.30 2jqn s VAL 93 Cb 0.14 -3.30 -0.24 0.00 0.00 0.00 0.00 36.38 32.98 2jqn s VAL 93 CO 0.83 0.03 0.70 0.74 0.00 0.00 0.00 175.10 177.39 2jqn h THR 94 N 1.99 1.64 -2.90 3.92 2.02 -1.87 -3.48 112.91 114.22 2jqn h THR 94 Ca -0.50 -2.24 -0.13 0.00 0.77 0.00 0.00 66.41 64.31 2jqn h THR 94 Cb 1.26 3.11 -0.23 0.00 -1.74 0.00 0.00 68.15 70.55 2jqn h THR 94 CO 0.60 0.56 -0.27 -0.60 0.37 0.00 0.00 175.52 176.18 2jqn s ARG 95 N -2.17 0.53 -0.40 6.66 6.06 -0.03 -5.03 118.95 124.56 2jqn s ARG 95 Ca -0.18 0.24 0.00 0.00 -2.50 0.00 0.00 55.73 53.30 2jqn s ARG 95 Cb -0.03 0.25 0.11 0.00 0.06 0.00 0.00 34.95 35.34 2jqn s ARG 95 CO 0.63 -0.11 0.16 -1.83 -2.50 0.00 0.00 175.30 171.66 2jqn s GLU 96 N -0.41 1.82 -1.01 5.12 -1.05 -1.26 -0.84 118.70 121.07 2jqn s GLU 96 Ca -0.05 -1.94 -0.18 0.00 -0.15 0.00 0.00 54.97 52.65 2jqn s GLU 96 Cb -0.03 -3.42 0.14 0.00 -0.44 0.00 0.00 34.13 30.37 2jqn s GLU 96 CO 0.02 -1.03 1.22 0.00 0.95 0.00 0.00 175.26 176.43 2jqn s ALA 97 N 0.87 3.51 -0.49 -0.84 0.00 0.01 -4.88 121.76 119.94 2jqn s ALA 97 Ca 0.11 -2.91 -0.27 0.00 0.00 0.00 0.00 51.96 48.89 2jqn s ALA 97 Cb -0.21 -4.09 -0.03 0.00 0.00 0.00 0.00 23.12 18.79 2jqn s ALA 97 CO -0.05 -2.96 1.90 0.16 0.00 0.00 0.00 175.76 174.81 2jqn s ASP 98 N 3.48 5.42 -0.15 0.00 -4.77 -1.26 -0.40 116.67 118.98 2jqn s ASP 98 Ca 0.36 0.81 -0.11 0.00 -3.30 0.00 0.00 52.55 50.31 2jqn s ASP 98 Cb -0.04 -2.52 0.04 0.00 -1.09 0.00 0.00 42.92 39.31 2jqn s ASP 98 CO -0.07 -2.17 0.22 -0.11 0.70 0.00 0.00 175.17 173.74 2jqn n LEU 99 N 12.14 -6.24 -3.96 2.11 7.94 0.56 -4.97 117.00 124.58 2jqn n LEU 99 Ca 0.23 2.44 -0.30 0.00 -1.11 0.00 0.00 56.01 57.26 2jqn n LEU 99 Cb 0.50 -3.30 -0.14 0.00 0.53 0.00 0.00 43.42 41.01 2jqn n LEU 99 CO 0.70 -3.91 -0.16 -0.62 -1.11 0.00 0.00 177.39 172.28 2jqn s ASP 100 N -0.66 4.38 0.25 1.96 -1.08 -1.26 -5.07 116.67 115.19 2jqn s ASP 100 Ca -0.25 -3.02 0.06 0.00 -0.52 0.00 0.00 52.55 48.81 2jqn s ASP 100 Cb 0.02 -1.65 -0.05 0.00 -1.46 0.00 0.00 42.92 39.77 2jqn s ASP 100 CO 0.67 -0.24 -0.06 -0.76 0.52 0.00 0.00 175.17 175.31 2jqn s LEU 101 N -0.31 2.42 0.00 -1.34 1.43 -1.26 -3.77 118.68 115.85 2jqn s LEU 101 Ca 0.17 -1.16 0.00 0.00 -1.03 0.00 0.00 54.13 52.11 2jqn s LEU 101 Cb -0.25 -0.54 0.00 0.00 0.03 0.00 0.00 46.19 45.43 2jqn s LEU 101 CO -0.00 -0.36 0.00 -0.67 0.23 0.00 0.00 176.35 175.55 2jqn n ASP 102 N -0.49 1.17 0.24 2.29 2.03 -0.04 -4.71 116.55 117.04 2jqn n ASP 102 Ca -0.06 -0.94 0.16 0.00 0.52 0.00 0.00 54.79 54.47 2jqn n ASP 102 Cb 0.63 0.00 0.85 0.00 -0.72 0.00 0.00 41.12 41.88 2jqn n ASP 102 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jqn h ALA 103 N 0.76 1.72 -0.05 -1.67 0.00 -2.03 0.11 119.26 118.11 2jqn h ALA 103 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jqn h ALA 103 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2jqn h ALA 103 CO 0.00 -0.17 0.00 -0.25 0.00 0.00 0.00 179.25 178.83 2jqn n ASP 104 N -3.86 1.46 0.00 0.00 8.00 -1.26 -4.89 116.55 115.99 2jqn n ASP 104 Ca -0.00 -1.52 0.00 0.00 0.71 0.00 0.00 54.79 53.98 2jqn n ASP 104 Cb 0.22 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.30 2jqn n ASP 104 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jqn n GLY 105 N 1.15 0.58 3.77 0.44 0.00 0.39 -5.02 105.19 106.51 2jqn n GLY 105 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 2jqn n GLY 105 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jqn s VAL 106 N -2.51 4.91 -0.62 1.61 1.01 -1.26 -4.35 120.40 119.19 2jqn s VAL 106 Ca 0.00 1.19 -0.26 0.00 0.00 0.00 0.00 61.98 62.91 2jqn s VAL 106 Cb 0.00 -3.90 -0.10 0.00 0.00 0.00 0.00 36.38 32.37 2jqn s VAL 106 CO 0.00 0.45 2.42 -0.81 0.00 0.00 0.00 175.10 177.16 2jqn n PRO 107 N 2.56 0.82 -0.89 2.72 -0.04 -1.26 -0.86 135.00 138.06 2jqn n PRO 107 Ca -0.08 -0.34 -0.12 0.00 -0.04 0.00 0.00 63.50 62.92 2jqn n PRO 107 Cb 0.51 -3.50 -0.05 0.00 -0.04 0.00 0.00 33.50 30.42 2jqn n PRO 107 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2jqn n GLN 108 N 8.89 1.70 0.00 0.54 -0.06 -1.25 -4.59 117.38 122.60 2jqn n GLN 108 Ca 0.42 -1.02 0.02 0.00 -2.00 0.00 0.00 57.00 54.42 2jqn n GLN 108 Cb 0.49 -1.61 0.10 0.00 -4.06 0.00 0.00 30.24 25.16 2jqn n GLN 108 CO 0.00 0.00 0.00 1.47 -0.20 0.00 0.00 177.06 178.33 2jqn n LEU 109 N 1.44 0.00 -0.27 1.69 -0.00 -1.26 -3.28 117.00 115.32 2jqn n LEU 109 Ca 0.27 0.00 0.21 0.00 -0.00 0.00 0.00 56.01 56.49 2jqn n LEU 109 Cb 0.65 0.00 0.53 0.00 -0.00 0.00 0.00 43.42 44.60 2jqn n LEU 109 CO 0.17 0.00 1.23 1.23 -0.00 0.00 0.00 177.39 180.02 2jqn h GLY 110 N 1.43 0.90 2.00 1.47 0.00 -1.92 0.68 103.07 107.62 2jqn h GLY 110 Ca 0.00 -0.18 -0.04 0.00 0.00 0.00 0.00 47.33 47.11 2jqn h GLY 110 CO 0.00 -0.04 -0.19 -0.55 0.00 0.00 0.00 176.54 175.76 2jqn h ASP 111 N 0.37 0.00 1.56 0.19 3.32 -1.98 -1.49 116.42 118.39 2jqn h ASP 111 Ca 0.51 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.47 2jqn h ASP 111 Cb 1.33 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.87 2jqn h ASP 111 CO -0.20 0.19 -0.44 0.45 -1.72 0.00 0.00 179.24 177.52 2jqn h HIS 112 N 0.00 0.00 -2.84 4.55 3.86 -0.01 -3.47 115.15 117.23 2jqn h HIS 112 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2jqn h HIS 112 Cb 0.40 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.87 2jqn h HIS 112 CO 0.00 0.42 0.00 1.28 0.86 0.00 0.00 177.93 180.49 2jqn n LEU 113 N -3.20 0.00 0.00 2.43 4.77 -0.00 -5.09 117.00 115.91 2jqn n LEU 113 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 2jqn n LEU 113 Cb 0.70 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.79 2jqn n LEU 113 CO 0.40 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.46 2jqn n ALA 114 N -3.00 0.62 -1.77 -1.18 0.00 -1.26 -4.93 120.51 109.00 2jqn n ALA 114 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.06 2jqn n ALA 114 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 2jqn n ALA 114 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2jqn s LEU 115 N -0.87 4.41 0.00 0.00 1.43 -1.26 -5.14 118.68 117.25 2jqn s LEU 115 Ca 0.00 2.01 0.00 0.00 -1.03 0.00 0.00 54.13 55.11 2jqn s LEU 115 Cb 0.00 -3.88 0.00 0.00 0.03 0.00 0.00 46.19 42.34 2jqn s LEU 115 CO 0.00 -0.14 0.00 1.21 0.23 0.00 0.00 176.35 177.65