#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 2.38 -0.04 2.03 -4.23 -1.26 -4.60 115.64 109.91 2jqn s THR 2 Ca 0.00 0.14 -0.05 0.00 -1.18 0.00 0.00 61.69 60.61 2jqn s THR 2 Cb 0.00 -2.42 -0.04 0.00 1.34 0.00 0.00 72.50 71.38 2jqn s THR 2 CO 0.00 -0.14 0.18 -0.76 -0.54 0.00 0.00 174.62 173.36 2jqn s LEU 3 N -6.03 4.38 0.02 4.79 1.43 -1.26 -0.93 118.68 121.08 2jqn s LEU 3 Ca 0.68 0.42 0.02 0.00 -1.03 0.00 0.00 54.13 54.21 2jqn s LEU 3 Cb -0.24 -2.46 -0.04 0.00 0.03 0.00 0.00 46.19 43.49 2jqn s LEU 3 CO 0.54 0.31 0.02 -0.63 0.23 0.00 0.00 176.35 176.81 2jqn s ILE 4 N -1.23 4.27 -0.01 -0.59 1.01 0.33 -4.58 121.20 120.40 2jqn s ILE 4 Ca 0.24 -0.63 0.02 0.00 0.00 0.00 0.00 60.65 60.27 2jqn s ILE 4 Cb -0.13 -2.95 -0.00 0.00 0.01 0.00 0.00 42.46 39.40 2jqn s ILE 4 CO 0.14 0.32 -0.06 -0.31 0.00 0.00 0.00 174.94 175.02 2jqn s TYR 5 N -1.16 0.60 -0.18 3.97 1.51 -0.77 -1.71 117.35 119.61 2jqn s TYR 5 Ca 0.22 -0.12 -0.07 0.00 -1.01 0.00 0.00 57.07 56.09 2jqn s TYR 5 Cb -0.12 -0.41 0.08 0.00 -0.11 0.00 0.00 41.96 41.40 2jqn s TYR 5 CO 0.13 -0.03 0.39 0.21 -1.11 0.00 0.00 175.55 175.14 2jqn s LYS 6 N -0.02 0.31 -0.07 -0.62 2.20 -0.55 -0.85 119.74 120.14 2jqn s LYS 6 Ca 0.01 0.93 -0.14 0.00 -0.36 0.00 0.00 55.97 56.40 2jqn s LYS 6 Cb -0.04 0.19 -0.05 0.00 -1.51 0.00 0.00 37.83 36.42 2jqn s LYS 6 CO -0.00 -0.23 0.37 0.42 -0.36 0.00 0.00 175.35 175.55 2jqn s ILE 7 N 2.26 5.17 0.21 5.43 1.09 -1.26 -0.88 121.20 133.21 2jqn s ILE 7 Ca -0.03 0.74 -0.11 0.00 -1.10 0.00 0.00 60.65 60.14 2jqn s ILE 7 Cb -0.11 -3.69 -0.00 0.00 -1.06 0.00 0.00 42.46 37.60 2jqn s ILE 7 CO -0.12 0.49 0.40 -1.48 -0.10 0.00 0.00 174.94 174.13 2jqn s LEU 8 N -0.39 0.56 0.51 2.97 2.34 -0.55 -4.98 118.68 119.14 2jqn s LEU 8 Ca 0.22 -0.86 -0.20 0.00 0.06 0.00 0.00 54.13 53.34 2jqn s LEU 8 Cb -0.15 1.54 -0.07 0.00 -0.56 0.00 0.00 46.19 46.95 2jqn s LEU 8 CO 0.10 -1.02 1.11 -0.55 -1.06 0.00 0.00 176.35 174.93 2jqn s SER 9 N -2.99 5.96 0.30 1.48 0.15 -1.26 -0.09 113.70 117.26 2jqn s SER 9 Ca 0.19 2.14 0.02 0.00 0.70 0.00 0.00 55.95 59.00 2jqn s SER 9 Cb 0.01 -2.58 0.57 0.00 -1.71 0.00 0.00 66.02 62.31 2jqn s SER 9 CO 0.04 -1.05 1.88 -0.09 1.20 0.00 0.00 173.24 175.22 2jqn h ARG 10 N 1.45 0.95 -0.48 5.44 9.65 -1.60 -1.09 114.38 128.71 2jqn h ARG 10 Ca -0.50 -0.06 -0.02 0.00 -1.10 0.00 0.00 59.98 58.31 2jqn h ARG 10 Cb 1.25 -0.21 -0.02 0.00 -1.39 0.00 0.00 29.97 29.59 2jqn h ARG 10 CO 0.58 0.63 0.22 0.00 2.80 0.00 0.00 179.97 184.20 2jqn h ALA 11 N 1.53 1.49 -0.38 2.80 0.00 -1.92 0.93 119.26 123.71 2jqn h ALA 11 Ca 0.43 -0.11 -0.16 0.00 0.00 0.00 0.00 54.91 55.08 2jqn h ALA 11 Cb 0.36 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2jqn h ALA 11 CO -0.19 0.40 -0.37 0.93 0.00 0.00 0.00 179.25 180.02 2jqn h GLU 12 N 0.67 0.93 -0.07 0.00 4.39 -1.60 -2.46 114.58 116.44 2jqn h GLU 12 Ca 0.17 -0.48 -0.09 0.00 0.34 0.00 0.00 59.36 59.30 2jqn h GLU 12 Cb 0.09 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 2jqn h GLU 12 CO -0.02 1.14 -0.29 2.35 -1.16 0.00 0.00 179.01 181.02 2jqn h TRP 13 N 0.74 0.42 -0.88 4.33 -0.00 -0.79 -1.67 115.95 118.11 2jqn h TRP 13 Ca 0.06 -0.18 0.01 0.00 -0.00 0.00 0.00 58.89 58.78 2jqn h TRP 13 Cb 0.96 -0.07 -0.04 0.00 -0.00 0.00 0.00 29.16 30.01 2jqn h TRP 13 CO 0.06 0.91 0.57 -0.44 -0.00 0.00 0.00 178.44 179.55 2jqn h ASP 14 N -0.19 1.02 -0.85 2.65 3.32 -0.94 -1.12 116.42 120.31 2jqn h ASP 14 Ca -0.02 -0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.01 2jqn h ASP 14 Cb 0.94 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 40.20 2jqn h ASP 14 CO 0.06 0.75 0.56 0.00 -1.72 0.00 0.00 179.24 178.89 2jqn h ALA 15 N 1.32 1.40 -0.28 3.45 0.00 -1.43 -1.13 119.26 122.58 2jqn h ALA 15 Ca 0.32 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.19 2jqn h ALA 15 Cb -0.12 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.31 2jqn h ALA 15 CO -0.07 0.55 0.15 0.00 0.00 0.00 0.00 179.25 179.89 2jqn h ALA 16 N 1.48 0.35 -0.79 0.00 0.00 -0.31 -2.36 119.26 117.62 2jqn h ALA 16 Ca 0.31 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.23 2jqn h ALA 16 Cb -0.12 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 2jqn h ALA 16 CO -0.07 -0.23 0.52 0.87 0.00 0.00 0.00 179.25 180.34 2jqn h LYS 17 N 0.32 1.04 -0.74 0.00 1.57 -0.69 0.68 116.57 118.75 2jqn h LYS 17 Ca 0.11 -0.06 0.03 0.00 -1.87 0.00 0.00 60.65 58.86 2jqn h LYS 17 Cb 0.02 -0.23 -0.04 0.00 0.08 0.00 0.00 32.23 32.05 2jqn h LYS 17 CO -0.07 0.69 0.47 0.00 -0.57 0.00 0.00 179.45 179.97 2jqn h ALA 18 N 1.50 0.96 -0.02 3.86 0.00 -0.80 -2.46 119.26 122.31 2jqn h ALA 18 Ca 0.29 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2jqn h ALA 18 Cb -0.12 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.42 2jqn h ALA 18 CO -0.06 0.27 -0.23 0.00 0.00 0.00 0.00 179.25 179.24 2jqn n GLN 19 N -4.63 1.39 -0.93 0.00 10.64 -0.93 -4.95 117.38 117.98 2jqn n GLN 19 Ca 0.08 -1.00 0.00 0.00 -1.83 0.00 0.00 57.00 54.24 2jqn n GLN 19 Cb 0.07 -1.48 0.00 0.00 -0.86 0.00 0.00 30.24 27.97 2jqn n GLN 19 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2jqn n GLY 20 N 1.33 0.35 3.13 2.61 0.00 0.22 -4.96 105.19 107.87 2jqn n GLY 20 Ca 0.13 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.06 2jqn n GLY 20 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jqn s ARG 21 N -0.79 0.66 0.37 1.61 0.52 -0.31 -1.84 118.95 119.18 2jqn s ARG 21 Ca 0.00 -0.92 0.05 0.00 -0.52 0.00 0.00 55.73 54.35 2jqn s ARG 21 Cb 0.00 0.26 -0.03 0.00 0.52 0.00 0.00 34.95 35.70 2jqn s ARG 21 CO 0.00 -0.17 0.20 0.12 0.02 0.00 0.00 175.30 175.47 2jqn s PHE 22 N -3.25 1.76 0.00 -0.53 5.36 0.11 -4.23 117.98 117.20 2jqn s PHE 22 Ca 0.01 -1.48 0.00 0.00 -0.96 0.00 0.00 56.93 54.50 2jqn s PHE 22 Cb 0.03 -0.94 0.00 0.00 -0.34 0.00 0.00 43.02 41.77 2jqn s PHE 22 CO -0.08 -0.58 0.00 0.39 -1.46 0.00 0.00 175.22 173.49 2jqn n GLU 23 N -0.78 0.00 -2.61 10.12 -0.58 -1.26 -1.23 120.64 124.30 2jqn n GLU 23 Ca 0.00 0.00 -0.04 0.00 -0.42 0.00 0.00 57.16 56.70 2jqn n GLU 23 Cb 0.64 0.00 0.02 0.00 -0.57 0.00 0.00 31.44 31.52 2jqn n GLU 23 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2jqn n GLY 24 N 0.56 0.57 2.62 0.62 0.00 -1.26 -4.88 105.19 103.41 2jqn n GLY 24 Ca 0.00 -0.46 -0.19 0.00 0.00 0.00 0.00 46.02 45.37 2jqn n GLY 24 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jqn n SER 25 N 0.09 0.17 -0.08 1.61 3.41 -1.26 -4.69 113.62 112.88 2jqn n SER 25 Ca -0.01 -1.38 -0.07 0.00 -0.26 0.00 0.00 58.87 57.15 2jqn n SER 25 Cb 0.52 -0.66 -0.00 0.00 -0.26 0.00 0.00 64.21 63.81 2jqn n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jqn h ALA 26 N -1.70 0.11 0.06 7.33 0.00 -1.98 -0.67 119.26 122.41 2jqn h ALA 26 Ca -0.28 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 2jqn h ALA 26 Cb 0.81 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2jqn h ALA 26 CO 0.21 -0.53 -0.03 0.28 0.00 0.00 0.00 179.25 179.18 2jqn h VAL 27 N -0.09 1.23 -0.70 0.00 2.07 -1.98 -0.42 116.25 116.37 2jqn h VAL 27 Ca 0.16 -1.08 0.09 0.00 0.82 0.00 0.00 66.70 66.69 2jqn h VAL 27 Cb 0.33 1.93 -0.07 0.00 -1.52 0.00 0.00 31.29 31.96 2jqn h VAL 27 CO -0.37 0.27 0.34 0.44 0.02 0.00 0.00 177.57 178.27 2jqn h ASP 28 N -0.58 0.44 0.16 0.57 3.32 -1.84 -1.16 116.42 117.34 2jqn h ASP 28 Ca -0.01 0.06 -0.17 0.00 0.02 0.00 0.00 57.03 56.94 2jqn h ASP 28 Cb 0.50 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 2jqn h ASP 28 CO 0.01 0.26 -0.62 -0.07 -1.72 0.00 0.00 179.24 177.10 2jqn h LEU 29 N 0.59 0.51 -0.63 1.55 3.38 -1.17 -1.98 115.31 117.57 2jqn h LEU 29 Ca 0.34 -0.30 0.03 0.00 0.09 0.00 0.00 57.88 58.04 2jqn h LEU 29 Cb 0.36 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 2jqn h LEU 29 CO -0.27 1.01 0.39 0.00 0.09 0.00 0.00 178.44 179.66 2jqn h ALA 30 N 0.99 0.82 -0.36 1.53 0.00 -0.06 -2.21 119.26 119.98 2jqn h ALA 30 Ca -0.01 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.73 2jqn h ALA 30 Cb 1.17 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2jqn h ALA 30 CO 0.11 0.13 -0.40 -0.44 0.00 0.00 0.00 179.25 178.66 2jqn h ASP 31 N 0.76 0.94 0.00 0.00 3.32 -1.27 -3.48 116.42 116.69 2jqn h ASP 31 Ca 0.25 -0.44 0.00 0.00 0.02 0.00 0.00 57.03 56.87 2jqn h ASP 31 Cb 0.02 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.31 2jqn h ASP 31 CO -0.10 1.22 0.00 0.61 -1.72 0.00 0.00 179.24 179.25 2jqn n GLY 32 N 0.13 1.28 3.47 2.75 0.00 -0.80 -5.10 105.19 106.91 2jqn n GLY 32 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.79 -0.44 0.37 1.61 -0.71 -0.85 -4.87 117.98 112.30 2jqn s PHE 33 Ca 0.00 0.18 -0.28 0.00 -1.04 0.00 0.00 56.93 55.79 2jqn s PHE 33 Cb 0.00 0.53 -0.11 0.00 -1.21 0.00 0.00 43.02 42.24 2jqn s PHE 33 CO 0.00 -0.88 1.45 0.42 -1.34 0.00 0.00 175.22 174.87 2jqn s ILE 34 N -3.78 2.19 -0.22 -4.49 1.01 -1.02 -4.73 121.20 110.15 2jqn s ILE 34 Ca 0.03 0.19 -0.04 0.00 0.00 0.00 0.00 60.65 60.83 2jqn s ILE 34 Cb -0.01 -3.12 0.08 0.00 0.01 0.00 0.00 42.46 39.41 2jqn s ILE 34 CO -0.10 0.05 0.10 -1.38 0.00 0.00 0.00 174.94 173.61 2jqn s HIS 35 N -1.12 0.35 0.34 3.97 -3.43 -1.26 -1.78 115.29 112.35 2jqn s HIS 35 Ca 0.52 -0.61 0.04 0.00 -0.80 0.00 0.00 55.06 54.21 2jqn s HIS 35 Cb -0.45 -0.83 0.06 0.00 -1.43 0.00 0.00 32.58 29.93 2jqn s HIS 35 CO 0.61 -0.65 0.47 1.28 -2.00 0.00 0.00 174.74 174.46 2jqn n LEU 36 N 5.24 0.00 -4.20 5.38 4.32 0.42 -5.00 117.00 123.16 2jqn n LEU 36 Ca -0.07 -1.35 -0.15 0.00 -0.02 0.00 0.00 56.01 54.42 2jqn n LEU 36 Cb 0.46 -0.27 -0.11 0.00 -1.62 0.00 0.00 43.42 41.89 2jqn n LEU 36 CO 0.08 -0.66 -0.42 -0.44 -1.22 0.00 0.00 177.39 174.73 2jqn s SER 37 N -3.07 1.61 0.87 -1.43 0.01 -0.03 -3.65 113.70 108.00 2jqn s SER 37 Ca 0.35 -0.82 -0.13 0.00 1.31 0.00 0.00 55.95 56.65 2jqn s SER 37 Cb -0.03 -0.01 0.13 0.00 0.21 0.00 0.00 66.02 66.32 2jqn s SER 37 CO 0.22 -0.23 1.23 0.00 0.41 0.00 0.00 173.24 174.87 2jqn s ALA 38 N -2.40 2.51 0.12 1.44 0.00 -1.26 -1.85 121.76 120.33 2jqn s ALA 38 Ca 0.07 -0.89 -0.30 0.00 0.00 0.00 0.00 51.96 50.84 2jqn s ALA 38 Cb -0.03 -2.87 -0.08 0.00 0.00 0.00 0.00 23.12 20.15 2jqn s ALA 38 CO 0.01 -1.96 1.58 0.78 0.00 0.00 0.00 175.76 176.17 2jqn h GLY 39 N -1.27 -0.78 0.99 0.00 0.00 -1.94 0.82 103.07 100.90 2jqn h GLY 39 Ca -0.45 0.52 -0.03 0.00 0.00 0.00 0.00 47.33 47.37 2jqn h GLY 39 CO 0.55 -0.24 0.25 1.05 0.00 0.00 0.00 176.54 178.14 2jqn h GLU 40 N -0.55 0.87 0.00 4.80 4.11 -1.99 -2.75 114.58 119.07 2jqn h GLU 40 Ca 0.05 -0.15 0.00 0.00 0.07 0.00 0.00 59.36 59.33 2jqn h GLU 40 Cb 0.65 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.75 2jqn h GLU 40 CO -0.34 0.74 0.00 1.96 0.07 0.00 0.00 179.01 181.44 2jqn h GLN 41 N 0.81 0.00 -0.01 1.06 4.20 -1.78 -2.65 115.11 116.74 2jqn h GLN 41 Ca 0.20 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.90 2jqn h GLN 41 Cb 0.18 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.96 2jqn h GLN 41 CO -0.02 0.00 -0.01 0.00 -0.67 0.00 0.00 178.83 178.13 2jqn h ALA 42 N 2.35 0.01 -0.64 3.87 0.00 0.97 0.17 119.26 125.99 2jqn h ALA 42 Ca 0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 2jqn h ALA 42 Cb 0.54 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 2jqn h ALA 42 CO 0.00 -0.21 0.33 0.37 0.00 0.00 0.00 179.25 179.74 2jqn h GLN 43 N -0.51 0.89 -0.25 0.00 5.75 -1.52 0.11 115.11 119.58 2jqn h GLN 43 Ca 0.00 -0.10 -0.01 0.00 -0.15 0.00 0.00 58.65 58.39 2jqn h GLN 43 Cb 0.56 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 28.92 2jqn h GLN 43 CO 0.00 0.67 0.13 1.49 -2.65 0.00 0.00 178.83 178.47 2jqn h GLU 44 N 0.89 0.35 -0.11 1.69 4.81 -1.43 -0.35 114.58 120.43 2jqn h GLU 44 Ca 0.23 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.39 2jqn h GLU 44 Cb 0.05 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 2jqn h GLU 44 CO -0.03 0.34 -0.01 1.15 -0.73 0.00 0.00 179.01 179.73 2jqn h THR 45 N 0.28 1.08 0.62 0.32 2.02 -0.13 -1.48 112.91 115.62 2jqn h THR 45 Ca 0.09 -0.31 -0.03 0.00 0.77 0.00 0.00 66.41 66.92 2jqn h THR 45 Cb 0.10 1.01 0.01 0.00 -1.74 0.00 0.00 68.15 67.52 2jqn h THR 45 CO -0.01 0.10 -0.30 0.00 0.37 0.00 0.00 175.52 175.68 2jqn h ALA 46 N 1.84 -0.83 -0.57 6.16 0.00 -0.28 0.34 119.26 125.93 2jqn h ALA 46 Ca 0.04 -0.20 0.15 0.00 0.00 0.00 0.00 54.91 54.90 2jqn h ALA 46 Cb 0.12 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 2jqn h ALA 46 CO 0.00 -0.83 0.40 0.00 0.00 0.00 0.00 179.25 178.83 2jqn h ALA 47 N -0.96 2.46 0.02 0.00 0.00 -0.84 0.32 119.26 120.26 2jqn h ALA 47 Ca -0.09 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.68 2jqn h ALA 47 Cb 0.68 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2jqn h ALA 47 CO 0.14 -0.62 -0.69 0.87 0.00 0.00 0.00 179.25 178.96 2jqn h LYS 48 N 0.06 0.03 0.00 0.00 1.57 -1.24 -3.43 116.57 113.55 2jqn h LYS 48 Ca 0.27 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.93 2jqn h LYS 48 Cb 1.00 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.32 2jqn h LYS 48 CO -0.02 1.03 -1.25 0.91 -0.57 0.00 0.00 179.45 179.55 2jqn n TRP 49 N -4.46 0.00 -2.80 -1.35 7.02 0.12 -4.79 117.44 111.18 2jqn n TRP 49 Ca -0.21 0.00 -0.31 0.00 -1.02 0.00 0.00 57.50 55.96 2jqn n TRP 49 Cb 0.61 -0.17 -0.02 0.00 -2.42 0.00 0.00 31.31 29.31 2jqn n TRP 49 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 2jqn n PHE 50 N -2.40 3.65 0.92 -5.99 3.72 0.10 -4.84 117.46 112.62 2jqn n PHE 50 Ca -0.07 -3.51 0.09 0.00 -0.05 0.00 0.00 57.45 53.91 2jqn n PHE 50 Cb 0.60 -0.67 0.48 0.00 -0.94 0.00 0.00 39.48 38.94 2jqn n PHE 50 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 176.76 179.60 2jqn n ARG 51 N -0.22 0.32 0.00 -1.08 1.85 -0.50 -4.51 116.66 112.53 2jqn n ARG 51 Ca 0.36 0.09 0.00 0.00 -1.00 0.00 0.00 57.85 57.31 2jqn n ARG 51 Cb 0.37 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.28 2jqn n ARG 51 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2jqn n GLY 52 N 0.25 -1.95 7.00 2.89 0.00 -1.26 -4.10 105.19 108.03 2jqn n GLY 52 Ca 0.10 0.81 0.00 0.00 0.00 0.00 0.00 46.02 46.92 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 0.00 0.00 -4.03 1.61 6.02 -1.26 -4.78 117.38 114.94 2jqn n GLN 53 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.70 2jqn n GLN 53 Cb 0.00 0.00 -0.17 0.00 1.02 0.00 0.00 30.24 31.09 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 -1.99 1.73 -0.38 -1.58 0.00 -1.26 -4.92 121.76 113.36 2jqn s ALA 54 Ca 0.00 -0.81 -0.13 0.00 0.00 0.00 0.00 51.96 51.02 2jqn s ALA 54 Cb 0.00 -1.00 0.02 0.00 0.00 0.00 0.00 23.12 22.13 2jqn s ALA 54 CO 0.00 -0.36 0.42 0.09 0.00 0.00 0.00 175.76 175.91 2jqn n ASN 55 N 4.76 -7.73 -4.64 0.00 3.02 -1.26 -4.55 115.26 104.86 2jqn n ASN 55 Ca -0.16 0.72 -0.37 0.00 -0.03 0.00 0.00 54.58 54.74 2jqn n ASN 55 Cb 0.50 -4.92 -0.10 0.00 -0.61 0.00 0.00 39.78 34.65 2jqn n ASN 55 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2jqn s LEU 56 N -2.27 4.09 -0.12 3.41 1.43 -1.17 -1.81 118.68 122.25 2jqn s LEU 56 Ca 0.18 0.14 -0.22 0.00 -1.03 0.00 0.00 54.13 53.20 2jqn s LEU 56 Cb -0.05 -2.18 -0.03 0.00 0.03 0.00 0.00 46.19 43.97 2jqn s LEU 56 CO 0.75 0.01 0.67 -0.69 0.23 0.00 0.00 176.35 177.32 2jqn s VAL 57 N 1.32 5.04 -0.55 -1.59 1.01 0.88 -0.26 120.40 126.24 2jqn s VAL 57 Ca 0.09 1.33 -0.16 0.00 0.00 0.00 0.00 61.98 63.24 2jqn s VAL 57 Cb -0.14 -4.00 0.13 0.00 0.00 0.00 0.00 36.38 32.37 2jqn s VAL 57 CO 0.07 0.20 0.52 -0.22 0.00 0.00 0.00 175.10 175.67 2jqn s LEU 58 N 1.21 6.14 -0.48 3.92 2.96 0.62 -1.48 118.68 131.56 2jqn s LEU 58 Ca 0.34 -1.78 -0.28 0.00 -0.22 0.00 0.00 54.13 52.18 2jqn s LEU 58 Cb -0.17 -2.22 0.01 0.00 0.50 0.00 0.00 46.19 44.32 2jqn s LEU 58 CO 0.14 -0.87 1.41 -0.76 -1.32 0.00 0.00 176.35 174.95 2jqn s LEU 59 N 1.65 3.50 -0.25 -0.68 1.43 -0.06 -1.71 118.68 122.56 2jqn s LEU 59 Ca 0.04 0.57 0.00 0.00 -1.03 0.00 0.00 54.13 53.71 2jqn s LEU 59 Cb -0.29 -3.31 0.04 0.00 0.03 0.00 0.00 46.19 42.65 2jqn s LEU 59 CO 0.03 -1.57 -0.09 0.00 0.23 0.00 0.00 176.35 174.95 2jqn s ALA 60 N 5.75 2.61 0.01 4.21 0.00 -0.98 -1.48 121.76 131.88 2jqn s ALA 60 Ca 0.57 -1.54 0.06 0.00 0.00 0.00 0.00 51.96 51.05 2jqn s ALA 60 Cb -0.12 -1.60 -0.02 0.00 0.00 0.00 0.00 23.12 21.38 2jqn s ALA 60 CO 0.29 -0.89 -0.17 0.08 0.00 0.00 0.00 175.76 175.07 2jqn s VAL 61 N 1.25 1.38 0.18 0.00 1.01 -0.69 -2.40 120.40 121.13 2jqn s VAL 61 Ca -0.02 -0.91 -0.30 0.00 0.00 0.00 0.00 61.98 60.75 2jqn s VAL 61 Cb -0.17 -1.18 -0.08 0.00 0.00 0.00 0.00 36.38 34.94 2jqn s VAL 61 CO -0.06 0.25 1.31 -1.61 0.00 0.00 0.00 175.10 174.99 2jqn s GLU 62 N -0.76 4.39 0.00 2.72 8.01 -1.26 -0.52 118.70 131.28 2jqn s GLU 62 Ca 0.06 2.04 0.00 0.00 0.01 0.00 0.00 54.97 57.07 2jqn s GLU 62 Cb -0.07 -3.21 0.00 0.00 -4.31 0.00 0.00 34.13 26.54 2jqn s GLU 62 CO 0.00 -0.26 1.03 0.00 0.01 0.00 0.00 175.26 176.04 2jqn n ALA 63 N 2.80 2.56 0.06 5.21 0.00 -0.10 -3.98 120.51 127.06 2jqn n ALA 63 Ca 0.07 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.30 2jqn n ALA 63 Cb 0.43 -1.00 -0.12 0.00 0.00 0.00 0.00 19.45 18.75 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 0.10 0.55 -1.96 0.00 3.07 -1.91 -3.21 114.58 111.21 2jqn h GLU 64 Ca 0.00 -0.69 0.00 0.00 -0.50 0.00 0.00 59.36 58.17 2jqn h GLU 64 Cb 0.98 0.22 0.00 0.00 -0.84 0.00 0.00 28.75 29.11 2jqn h GLU 64 CO 0.00 1.29 0.00 -2.30 -1.40 0.00 0.00 179.01 176.60 2jqn n PRO 65 N -3.95 0.51 -0.26 2.33 -0.02 -1.26 -4.48 135.00 127.88 2jqn n PRO 65 Ca -0.13 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.30 2jqn n PRO 65 Cb 0.88 -1.24 0.06 0.00 -0.02 0.00 0.00 33.50 33.17 2jqn n PRO 65 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2jqn h LEU 66 N 3.33 0.92 0.00 2.45 5.85 -1.87 -3.47 115.31 122.51 2jqn h LEU 66 Ca 0.00 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.62 2jqn h LEU 66 Cb 0.51 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.31 2jqn h LEU 66 CO 0.00 0.75 0.00 0.61 -0.34 0.00 0.00 178.44 179.46 2jqn n GLY 67 N -1.07 2.79 0.03 3.75 0.00 -1.26 -3.59 105.19 105.84 2jqn n GLY 67 Ca 0.06 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.35 2jqn n GLY 67 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2jqn n GLU 68 N 6.79 0.00 -0.06 1.61 2.13 -1.26 -4.94 120.64 124.90 2jqn n GLU 68 Ca 0.00 -0.19 -0.02 0.00 0.66 0.00 0.00 57.16 57.61 2jqn n GLU 68 Cb 0.00 -0.18 -0.15 0.00 0.27 0.00 0.00 31.44 31.39 2jqn n GLU 68 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2jqn n ASP 69 N 0.00 0.54 -4.55 4.31 8.00 -1.24 -4.81 116.55 118.80 2jqn n ASP 69 Ca 0.00 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 55.15 2jqn n ASP 69 Cb 0.50 1.31 -0.04 0.00 -0.02 0.00 0.00 41.12 42.88 2jqn n ASP 69 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2jqn s LEU 70 N -4.96 3.25 -0.48 0.64 2.96 -1.25 -3.75 118.68 115.10 2jqn s LEU 70 Ca -0.08 -0.05 -0.13 0.00 -0.22 0.00 0.00 54.13 53.66 2jqn s LEU 70 Cb 0.08 -2.54 0.10 0.00 0.50 0.00 0.00 46.19 44.33 2jqn s LEU 70 CO 0.77 -2.44 0.38 -0.75 -1.32 0.00 0.00 176.35 172.99 2jqn s LYS 71 N 6.92 2.77 -0.67 1.98 2.20 0.96 -4.83 119.74 129.07 2jqn s LYS 71 Ca 0.66 -1.59 -0.26 0.00 -0.36 0.00 0.00 55.97 54.42 2jqn s LYS 71 Cb -0.10 -4.05 -0.02 0.00 -1.51 0.00 0.00 37.83 32.15 2jqn s LYS 71 CO 0.13 -1.14 1.84 -1.58 -0.36 0.00 0.00 175.35 174.24 2jqn s TRP 72 N 1.51 1.73 0.07 4.03 0.52 -1.26 -0.73 118.94 124.81 2jqn s TRP 72 Ca 0.04 0.70 0.00 0.00 0.02 0.00 0.00 56.10 56.86 2jqn s TRP 72 Cb -0.26 -4.12 -0.04 0.00 -1.15 0.00 0.00 33.47 27.90 2jqn s TRP 72 CO 0.03 -2.20 -0.05 -2.00 0.02 0.00 0.00 176.95 172.75 2jqn s GLU 73 N 6.95 0.72 0.58 4.98 2.56 -0.53 -4.72 118.70 129.24 2jqn s GLU 73 Ca 0.66 -1.27 0.09 0.00 0.00 0.00 0.00 54.97 54.45 2jqn s GLU 73 Cb -0.11 0.00 0.09 0.00 2.00 0.00 0.00 34.13 36.11 2jqn s GLU 73 CO 0.16 -0.06 0.75 0.00 -0.56 0.00 0.00 175.26 175.55 2jqn s ALA 74 N -3.75 4.70 0.03 6.30 0.00 -1.26 -0.95 121.76 126.83 2jqn s ALA 74 Ca 0.09 -2.05 0.00 0.00 0.00 0.00 0.00 51.96 50.01 2jqn s ALA 74 Cb 0.06 -1.35 0.00 0.00 0.00 0.00 0.00 23.12 21.84 2jqn s ALA 74 CO -0.07 -0.84 0.00 -1.13 0.00 0.00 0.00 175.76 173.72 2jqn n SER 75 N -2.20 0.02 -0.01 0.00 3.41 -1.26 -5.01 113.62 108.56 2jqn n SER 75 Ca 0.14 0.05 -0.02 0.00 -0.26 0.00 0.00 58.87 58.78 2jqn n SER 75 Cb 0.62 0.03 -0.01 0.00 -0.26 0.00 0.00 64.21 64.59 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 -2.62 0.12 0.00 4.33 5.12 -1.26 -5.04 116.66 117.30 2jqn n ARG 76 Ca 0.00 0.05 0.00 0.00 -1.93 0.00 0.00 57.85 55.97 2jqn n ARG 76 Cb 0.00 -0.59 0.00 0.00 -1.16 0.00 0.00 32.46 30.71 2jqn n ARG 76 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2jqn n GLY 77 N 2.13 1.50 0.00 -0.13 0.00 -1.26 -5.12 105.19 102.30 2jqn n GLY 77 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 4.72 5.27 0.88 -0.02 0.00 -1.26 -5.04 105.19 109.73 2jqn n GLY 78 Ca 0.00 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.36 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 -3.00 -1.57 -2.58 4.61 0.00 -1.26 -4.78 120.51 111.93 2jqn n ALA 79 Ca 0.00 0.26 -0.39 0.00 0.00 0.00 0.00 53.44 53.31 2jqn n ALA 79 Cb 0.00 -1.01 -0.11 0.00 0.00 0.00 0.00 19.45 18.33 2jqn n ALA 79 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2jqn s ARG 80 N -4.75 3.72 -0.18 0.00 0.52 -1.26 -3.98 118.95 113.02 2jqn s ARG 80 Ca 0.00 -0.48 -0.12 0.00 -0.52 0.00 0.00 55.73 54.61 2jqn s ARG 80 Cb 0.00 -3.72 -0.05 0.00 0.52 0.00 0.00 34.95 31.71 2jqn s ARG 80 CO 0.00 -0.31 0.22 -0.06 0.02 0.00 0.00 175.30 175.17 2jqn s PHE 81 N 1.74 3.43 -0.47 -0.53 0.40 -0.13 -4.68 117.98 117.74 2jqn s PHE 81 Ca 0.06 0.46 -0.27 0.00 -0.60 0.00 0.00 56.93 56.59 2jqn s PHE 81 Cb -0.17 -2.26 -0.03 0.00 0.51 0.00 0.00 43.02 41.07 2jqn s PHE 81 CO 0.10 0.25 1.96 -1.25 0.70 0.00 0.00 175.22 176.99 2jqn s PRO 82 N 0.46 2.80 0.20 0.24 0.04 -1.24 -1.45 135.00 136.05 2jqn s PRO 82 Ca 0.12 1.12 -0.01 0.00 0.04 0.00 0.00 61.00 62.27 2jqn s PRO 82 Cb -0.12 -4.36 -0.04 0.00 0.04 0.00 0.00 34.50 30.02 2jqn s PRO 82 CO 0.01 -2.50 0.40 -1.01 0.04 0.00 0.00 177.00 173.94 2jqn s HIS 83 N 8.88 3.48 0.04 0.56 3.76 0.09 -0.44 115.29 131.66 2jqn s HIS 83 Ca 0.79 0.37 0.05 0.00 -0.15 0.00 0.00 55.06 56.12 2jqn s HIS 83 Cb -0.18 -1.87 -0.02 0.00 1.11 0.00 0.00 32.58 31.62 2jqn s HIS 83 CO 0.27 0.37 -0.15 -0.51 -0.85 0.00 0.00 174.74 173.87 2jqn s LEU 84 N -3.30 2.18 -0.00 0.89 1.43 -0.74 -0.03 118.68 119.11 2jqn s LEU 84 Ca 0.39 -0.47 0.07 0.00 -1.03 0.00 0.00 54.13 53.09 2jqn s LEU 84 Cb -0.11 -0.62 0.20 0.00 0.03 0.00 0.00 46.19 45.69 2jqn s LEU 84 CO 0.29 0.03 1.17 -1.22 0.23 0.00 0.00 176.35 176.85 2jqn n TYR 85 N 1.86 0.30 -5.14 0.29 4.01 -1.25 -2.45 117.16 114.79 2jqn n TYR 85 Ca -0.18 -0.51 -0.32 0.00 -0.16 0.00 0.00 57.90 56.73 2jqn n TYR 85 Cb 0.55 -0.04 -0.16 0.00 -0.31 0.00 0.00 39.34 39.38 2jqn n TYR 85 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2jqn s ARG 86 N -1.04 2.77 0.26 -0.72 1.81 -1.26 -5.08 118.95 115.70 2jqn s ARG 86 Ca 0.15 -0.84 -0.30 0.00 -1.72 0.00 0.00 55.73 53.02 2jqn s ARG 86 Cb 0.08 -2.29 -0.10 0.00 -0.45 0.00 0.00 34.95 32.20 2jqn s ARG 86 CO 0.10 0.34 1.31 -2.14 -0.68 0.00 0.00 175.30 174.23 2jqn s PRO 87 N -0.05 4.38 -0.68 3.54 0.02 -1.26 -4.93 135.00 136.02 2jqn s PRO 87 Ca -0.06 2.12 -0.27 0.00 0.02 0.00 0.00 61.00 62.81 2jqn s PRO 87 Cb -0.15 -3.14 0.02 0.00 0.02 0.00 0.00 34.50 31.25 2jqn s PRO 87 CO 0.05 -0.21 1.38 -1.17 -0.33 0.00 0.00 177.00 176.71 2jqn s LEU 88 N -0.82 3.25 -0.01 -5.54 2.96 -0.36 -4.79 118.68 113.36 2jqn s LEU 88 Ca 0.53 -0.16 -0.30 0.00 -0.22 0.00 0.00 54.13 53.99 2jqn s LEU 88 Cb -0.38 -2.70 -0.07 0.00 0.50 0.00 0.00 46.19 43.54 2jqn s LEU 88 CO 0.44 -1.86 1.79 -0.76 -1.32 0.00 0.00 176.35 174.64 2jqn s LEU 89 N 6.19 4.37 0.38 -0.68 1.43 -1.26 0.09 118.68 129.20 2jqn s LEU 89 Ca 0.43 2.43 0.12 0.00 -1.03 0.00 0.00 54.13 56.09 2jqn s LEU 89 Cb -0.09 -3.53 0.93 0.00 0.03 0.00 0.00 46.19 43.53 2jqn s LEU 89 CO 0.19 -0.98 1.87 0.58 0.23 0.00 0.00 176.35 178.23 2jqn h VAL 90 N 5.58 0.78 -0.04 -1.59 2.07 -1.68 0.12 116.25 121.49 2jqn h VAL 90 Ca -0.44 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 66.89 2jqn h VAL 90 Cb 1.20 0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 31.14 2jqn h VAL 90 CO 0.95 0.10 0.02 -1.28 0.02 0.00 0.00 177.57 177.39 2jqn h SER 91 N 0.56 0.05 1.95 0.57 0.87 -1.90 -2.32 113.55 113.34 2jqn h SER 91 Ca 0.45 -0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 61.00 2jqn h SER 91 Cb 0.88 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.83 2jqn h SER 91 CO -0.19 0.04 -0.02 -0.08 -0.53 0.00 0.00 176.83 176.05 2jqn h GLU 92 N 0.06 0.00 -6.43 2.24 4.57 -1.13 -3.45 114.58 110.44 2jqn h GLU 92 Ca 0.02 0.00 -0.54 0.00 -1.18 0.00 0.00 59.36 57.66 2jqn h GLU 92 Cb -0.00 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 28.61 2jqn h GLU 92 CO -0.00 0.02 0.98 0.08 -1.18 0.00 0.00 179.01 178.91 2jqn s VAL 93 N -3.21 3.15 -0.08 0.32 1.01 -0.87 -4.95 120.40 115.76 2jqn s VAL 93 Ca 0.07 0.58 -0.11 0.00 0.00 0.00 0.00 61.98 62.52 2jqn s VAL 93 Cb 0.05 -3.37 -0.08 0.00 0.00 0.00 0.00 36.38 32.98 2jqn s VAL 93 CO 0.67 -0.00 0.38 0.71 0.00 0.00 0.00 175.10 176.85 2jqn h THR 94 N 4.84 0.38 -4.02 3.92 1.35 -1.88 -3.47 112.91 114.03 2jqn h THR 94 Ca -0.42 -1.12 -0.41 0.00 -0.55 0.00 0.00 66.41 63.91 2jqn h THR 94 Cb 1.20 0.70 -0.25 0.00 -1.73 0.00 0.00 68.15 68.07 2jqn h THR 94 CO 0.93 0.12 -0.78 0.00 -0.25 0.00 0.00 175.52 175.53 2jqn s ARG 95 N -2.31 0.83 -0.37 4.72 1.70 -1.01 -5.07 118.95 117.43 2jqn s ARG 95 Ca -0.06 -0.68 0.03 0.00 -0.47 0.00 0.00 55.73 54.55 2jqn s ARG 95 Cb -0.00 -0.80 0.11 0.00 -0.57 0.00 0.00 34.95 33.69 2jqn s ARG 95 CO 0.22 0.20 0.10 -1.83 -1.08 0.00 0.00 175.30 172.91 2jqn s GLU 96 N -1.04 1.44 -0.27 3.89 -1.05 -1.26 -2.33 118.70 118.07 2jqn s GLU 96 Ca 0.00 -1.89 -0.27 0.00 -0.15 0.00 0.00 54.97 52.66 2jqn s GLU 96 Cb -0.07 -2.99 0.01 0.00 -0.44 0.00 0.00 34.13 30.63 2jqn s GLU 96 CO 0.01 -0.99 0.94 0.00 0.95 0.00 0.00 175.26 176.17 2jqn s ALA 97 N 0.77 3.60 -0.56 -0.84 0.00 -0.69 -4.87 121.76 119.16 2jqn s ALA 97 Ca 0.12 -0.09 -0.25 0.00 0.00 0.00 0.00 51.96 51.73 2jqn s ALA 97 Cb -0.20 -3.46 0.04 0.00 0.00 0.00 0.00 23.12 19.50 2jqn s ALA 97 CO -0.09 -1.16 1.02 0.34 0.00 0.00 0.00 175.76 175.88 2jqn s ASP 98 N 1.44 6.37 -0.63 0.00 2.15 -1.26 -0.28 116.67 124.46 2jqn s ASP 98 Ca 0.39 -0.21 -0.26 0.00 0.43 0.00 0.00 52.55 52.91 2jqn s ASP 98 Cb -0.14 -2.47 0.04 0.00 -0.30 0.00 0.00 42.92 40.04 2jqn s ASP 98 CO 0.10 -1.31 1.12 -0.76 -0.17 0.00 0.00 175.17 174.15 2jqn s LEU 99 N 4.27 3.68 0.07 -1.34 1.43 0.64 -4.97 118.68 122.46 2jqn s LEU 99 Ca 0.34 -0.34 -0.15 0.00 -1.03 0.00 0.00 54.13 52.96 2jqn s LEU 99 Cb -0.11 -2.79 -0.06 0.00 0.03 0.00 0.00 46.19 43.26 2jqn s LEU 99 CO 0.21 -1.51 0.48 -0.62 0.23 0.00 0.00 176.35 175.14 2jqn s ASP 100 N 3.26 6.86 -0.01 2.29 2.15 -1.26 -3.04 116.67 126.92 2jqn s ASP 100 Ca 0.34 1.05 -0.30 0.00 0.43 0.00 0.00 52.55 54.07 2jqn s ASP 100 Cb -0.10 -2.28 -0.04 0.00 -0.30 0.00 0.00 42.92 40.20 2jqn s ASP 100 CO 0.19 0.23 1.17 -0.76 -0.17 0.00 0.00 175.17 175.83 2jqn s LEU 101 N -1.43 4.32 0.22 -1.34 1.43 -1.26 -4.60 118.68 116.02 2jqn s LEU 101 Ca 0.30 1.86 0.01 0.00 -1.03 0.00 0.00 54.13 55.27 2jqn s LEU 101 Cb -0.17 -3.57 -0.05 0.00 0.03 0.00 0.00 46.19 42.44 2jqn s LEU 101 CO 0.17 -0.51 0.06 -1.81 0.23 0.00 0.00 176.35 174.49 2jqn s ASP 102 N 1.29 1.17 0.00 2.29 1.01 -1.26 -4.84 116.67 116.33 2jqn s ASP 102 Ca 0.56 -1.30 0.00 0.00 0.71 0.00 0.00 52.55 52.52 2jqn s ASP 102 Cb -0.26 0.15 0.00 0.00 1.01 0.00 0.00 42.92 43.82 2jqn s ASP 102 CO 0.25 -0.67 0.00 0.00 0.21 0.00 0.00 175.17 174.96 2jqn n ALA 103 N -0.37 0.00 0.45 5.23 0.00 -1.26 -1.15 120.51 123.40 2jqn n ALA 103 Ca -0.02 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.53 2jqn n ALA 103 Cb 0.65 0.00 0.19 0.00 0.00 0.00 0.00 19.45 20.29 2jqn n ALA 103 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2jqn n ASP 104 N 1.39 3.34 -0.32 0.00 8.00 -1.26 -4.92 116.55 122.78 2jqn n ASP 104 Ca 0.00 -1.99 -0.04 0.00 0.71 0.00 0.00 54.79 53.48 2jqn n ASP 104 Cb 0.00 -0.19 -0.01 0.00 -0.02 0.00 0.00 41.12 40.90 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 1.44 0.55 3.21 0.44 0.00 -0.30 -5.05 105.19 105.48 2jqn n GLY 105 Ca 0.18 -0.86 -0.28 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.15 1.73 -0.16 1.61 1.01 -1.22 -3.98 120.40 117.24 2jqn s VAL 106 Ca 0.00 -0.90 -0.34 0.00 0.00 0.00 0.00 61.98 60.74 2jqn s VAL 106 Cb 0.00 -1.46 -0.11 0.00 0.00 0.00 0.00 36.38 34.80 2jqn s VAL 106 CO 0.00 0.49 1.95 -2.65 0.00 0.00 0.00 175.10 174.89 2jqn n PRO 107 N 2.94 1.92 -2.32 2.72 -0.02 -1.26 -4.15 135.00 134.83 2jqn n PRO 107 Ca -0.17 0.67 -0.39 0.00 -2.02 0.00 0.00 63.50 61.59 2jqn n PRO 107 Cb 0.52 -2.63 -0.03 0.00 -0.02 0.00 0.00 33.50 31.34 2jqn n PRO 107 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2jqn s GLN 108 N 4.58 2.97 -0.26 -0.52 1.11 -1.26 -4.78 119.66 121.50 2jqn s GLN 108 Ca 0.97 -0.01 0.01 0.00 0.01 0.00 0.00 55.36 56.33 2jqn s GLN 108 Cb -0.72 -4.44 -0.16 0.00 -1.01 0.00 0.00 33.01 26.68 2jqn s GLN 108 CO 0.51 -2.47 -0.23 1.28 0.01 0.00 0.00 175.29 174.39 2jqn n LEU 109 N 10.96 2.91 -0.30 2.90 4.32 -1.26 -3.83 117.00 132.70 2jqn n LEU 109 Ca 0.15 -0.11 0.11 0.00 -0.02 0.00 0.00 56.01 56.15 2jqn n LEU 109 Cb 0.50 -0.89 0.28 0.00 -1.62 0.00 0.00 43.42 41.69 2jqn n LEU 109 CO 0.70 0.91 1.05 1.23 -1.22 0.00 0.00 177.39 180.05 2jqn h GLY 110 N 1.77 1.46 1.04 -0.72 0.00 -1.93 0.76 103.07 105.45 2jqn h GLY 110 Ca -0.58 -0.18 -0.27 0.00 0.00 0.00 0.00 47.33 46.31 2jqn h GLY 110 CO -0.11 -0.21 -1.62 1.29 0.00 0.00 0.00 176.54 175.89 2jqn h ASP 111 N 0.44 0.00 0.02 0.19 2.03 -1.98 -3.37 116.42 113.75 2jqn h ASP 111 Ca 0.53 0.00 -0.08 0.00 -0.73 0.00 0.00 57.03 56.75 2jqn h ASP 111 Cb 0.94 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.43 2jqn h ASP 111 CO -0.49 0.93 -0.22 -0.74 -1.03 0.00 0.00 179.24 177.69 2jqn h HIS 112 N 0.00 0.39 -4.31 4.15 2.76 -1.33 -3.44 115.15 113.36 2jqn h HIS 112 Ca -0.25 -0.07 -0.50 0.00 -2.20 0.00 0.00 60.37 57.35 2jqn h HIS 112 Cb 1.93 -0.10 0.06 0.00 1.55 0.00 0.00 27.41 30.86 2jqn h HIS 112 CO 0.00 0.56 0.39 -0.51 -1.30 0.00 0.00 177.93 177.07 2jqn s LEU 113 N -8.64 3.15 0.00 0.26 1.43 0.14 -5.06 118.68 109.96 2jqn s LEU 113 Ca -0.06 1.26 0.00 0.00 -1.03 0.00 0.00 54.13 54.30 2jqn s LEU 113 Cb 0.14 -4.21 0.00 0.00 0.03 0.00 0.00 46.19 42.15 2jqn s LEU 113 CO 0.77 -1.01 0.00 0.00 0.23 0.00 0.00 176.35 176.33 2jqn n ALA 114 N -2.79 0.00 -2.48 4.21 0.00 -1.26 -4.99 120.51 113.20 2jqn n ALA 114 Ca 0.06 -0.10 -0.04 0.00 0.00 0.00 0.00 53.44 53.36 2jqn n ALA 114 Cb 0.55 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.97 2jqn n ALA 114 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2jqn n LEU 115 N -1.83 -6.07 0.00 0.00 7.94 -1.26 -5.13 117.00 110.64 2jqn n LEU 115 Ca 0.00 2.36 0.08 0.00 -1.11 0.00 0.00 56.01 57.34 2jqn n LEU 115 Cb 0.00 -3.19 0.48 0.00 0.53 0.00 0.00 43.42 41.24 2jqn n LEU 115 CO 0.00 -3.63 0.68 1.21 -1.11 0.00 0.00 177.39 174.54