#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jqn h THR 2 N 0.00 0.19 -2.11 1.12 2.02 -2.01 -3.42 112.91 108.70 2jqn h THR 2 Ca 0.00 -0.94 -0.52 0.00 0.77 0.00 0.00 66.41 65.72 2jqn h THR 2 Cb 0.00 1.80 -0.06 0.00 -1.74 0.00 0.00 68.15 68.15 2jqn h THR 2 CO 0.00 0.09 1.19 -0.76 0.37 0.00 0.00 175.52 176.41 2jqn s LEU 3 N -6.34 3.23 -0.05 2.58 1.43 -1.26 -1.83 118.68 116.44 2jqn s LEU 3 Ca 0.03 -0.15 -0.02 0.00 -1.03 0.00 0.00 54.13 52.96 2jqn s LEU 3 Cb 0.08 -2.55 -0.04 0.00 0.03 0.00 0.00 46.19 43.71 2jqn s LEU 3 CO 0.62 -2.08 0.06 0.27 0.23 0.00 0.00 176.35 175.44 2jqn s ILE 4 N 7.26 4.66 0.13 -0.59 -4.36 -1.01 -3.85 121.20 123.43 2jqn s ILE 4 Ca 0.50 -0.27 0.08 0.00 -0.26 0.00 0.00 60.65 60.70 2jqn s ILE 4 Cb -0.10 -3.05 -0.04 0.00 1.25 0.00 0.00 42.46 40.52 2jqn s ILE 4 CO 0.16 0.48 -0.20 -0.31 0.24 0.00 0.00 174.94 175.32 2jqn s TYR 5 N -1.05 1.79 -0.24 1.37 1.51 -0.32 -1.00 117.35 119.40 2jqn s TYR 5 Ca 0.18 -0.44 -0.02 0.00 -1.01 0.00 0.00 57.07 55.77 2jqn s TYR 5 Cb -0.12 -0.94 0.12 0.00 -0.11 0.00 0.00 41.96 40.91 2jqn s TYR 5 CO 0.08 0.25 0.29 0.21 -1.11 0.00 0.00 175.55 175.27 2jqn s LYS 6 N -2.29 0.28 -0.00 -0.62 2.20 0.12 0.35 119.74 119.78 2jqn s LYS 6 Ca 0.10 0.18 -0.17 0.00 -0.36 0.00 0.00 55.97 55.72 2jqn s LYS 6 Cb -0.08 -0.83 -0.06 0.00 -1.51 0.00 0.00 37.83 35.35 2jqn s LYS 6 CO 0.05 -0.78 0.48 0.42 -0.36 0.00 0.00 175.35 175.17 2jqn s ILE 7 N 2.40 4.97 0.29 5.43 1.01 -1.26 -1.38 121.20 132.65 2jqn s ILE 7 Ca 0.09 1.00 -0.13 0.00 0.00 0.00 0.00 60.65 61.61 2jqn s ILE 7 Cb -0.15 -3.80 0.01 0.00 0.01 0.00 0.00 42.46 38.53 2jqn s ILE 7 CO -0.20 0.51 0.58 -1.48 0.00 0.00 0.00 174.94 174.35 2jqn s LEU 8 N -0.68 0.26 0.40 2.97 2.34 -0.79 -5.00 118.68 118.18 2jqn s LEU 8 Ca 0.26 -0.98 -0.24 0.00 0.06 0.00 0.00 54.13 53.23 2jqn s LEU 8 Cb -0.17 2.09 -0.09 0.00 -0.56 0.00 0.00 46.19 47.45 2jqn s LEU 8 CO 0.15 -1.29 1.03 -0.94 -1.06 0.00 0.00 176.35 174.23 2jqn s SER 9 N -3.04 6.82 0.27 1.48 1.04 -1.26 -0.81 113.70 118.21 2jqn s SER 9 Ca 0.20 1.97 0.01 0.00 0.48 0.00 0.00 55.95 58.62 2jqn s SER 9 Cb -0.02 -2.58 0.59 0.00 0.10 0.00 0.00 66.02 64.11 2jqn s SER 9 CO 0.11 -0.45 1.76 -0.09 0.98 0.00 0.00 173.24 175.56 2jqn h ARG 10 N 2.47 0.63 0.08 4.02 1.12 -0.12 -1.39 114.38 121.19 2jqn h ARG 10 Ca -0.48 -0.04 -0.00 0.00 -1.11 0.00 0.00 59.98 58.35 2jqn h ARG 10 Cb 1.21 -0.14 -0.00 0.00 -0.01 0.00 0.00 29.97 31.02 2jqn h ARG 10 CO 0.62 0.42 -0.06 0.00 -3.11 0.00 0.00 179.97 177.84 2jqn h ALA 11 N 1.59 -0.13 0.00 2.80 0.00 -1.93 0.47 119.26 122.06 2jqn h ALA 11 Ca 0.50 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.33 2jqn h ALA 11 Cb 0.73 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 2jqn h ALA 11 CO -0.37 -0.58 -0.28 0.93 0.00 0.00 0.00 179.25 178.95 2jqn h GLU 12 N -0.14 0.00 -0.19 0.00 5.08 -1.81 -0.32 114.58 117.20 2jqn h GLU 12 Ca -0.00 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 2jqn h GLU 12 Cb 0.13 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 2jqn h GLU 12 CO -0.00 0.28 -0.23 2.35 -1.00 0.00 0.00 179.01 180.40 2jqn h TRP 13 N 0.00 0.60 -0.32 4.33 -0.00 -0.88 -2.50 115.95 117.18 2jqn h TRP 13 Ca -0.00 -0.19 -0.01 0.00 -0.00 0.00 0.00 58.89 58.69 2jqn h TRP 13 Cb 0.50 -0.12 -0.02 0.00 -0.00 0.00 0.00 29.16 29.52 2jqn h TRP 13 CO 0.00 0.87 0.17 -0.44 -0.00 0.00 0.00 178.44 179.04 2jqn h ASP 14 N 0.16 0.39 -0.91 2.65 3.32 -0.56 -2.02 116.42 119.44 2jqn h ASP 14 Ca 0.03 -0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.07 2jqn h ASP 14 Cb 0.79 -0.10 -0.05 0.00 0.22 0.00 0.00 39.33 40.19 2jqn h ASP 14 CO 0.06 0.32 0.60 0.00 -1.72 0.00 0.00 179.24 178.50 2jqn h ALA 15 N 1.74 1.18 -0.12 3.45 0.00 -0.85 0.12 119.26 124.77 2jqn h ALA 15 Ca 0.12 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2jqn h ALA 15 Cb 0.03 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 2jqn h ALA 15 CO -0.02 0.52 0.06 0.00 0.00 0.00 0.00 179.25 179.82 2jqn h ALA 16 N 1.35 0.16 -0.76 0.00 0.00 -0.94 -1.86 119.26 117.21 2jqn h ALA 16 Ca 0.35 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.23 2jqn h ALA 16 Cb -0.09 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 2jqn h ALA 16 CO -0.09 -0.29 0.50 0.87 0.00 0.00 0.00 179.25 180.25 2jqn h LYS 17 N 0.09 0.89 0.24 0.00 1.57 -0.97 0.32 116.57 118.71 2jqn h LYS 17 Ca 0.04 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 2jqn h LYS 17 Cb 0.10 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.21 2jqn h LYS 17 CO -0.01 0.59 -0.12 0.00 -0.57 0.00 0.00 179.45 179.34 2jqn h ALA 18 N 1.56 -0.33 0.00 3.86 0.00 -0.56 -2.90 119.26 120.89 2jqn h ALA 18 Ca 0.31 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2jqn h ALA 18 Cb 0.08 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2jqn h ALA 18 CO -0.09 -0.62 0.00 0.00 0.00 0.00 0.00 179.25 178.54 2jqn n GLN 19 N -5.17 0.02 0.00 0.00 10.64 -0.72 -4.91 117.38 117.24 2jqn n GLN 19 Ca -0.09 0.09 0.00 0.00 -1.83 0.00 0.00 57.00 55.16 2jqn n GLN 19 Cb 0.20 -1.53 0.00 0.00 -0.86 0.00 0.00 30.24 28.04 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 1.07 1.38 1.58 2.61 0.00 0.11 -4.90 105.19 107.04 2jqn n GLY 20 Ca 0.06 -0.06 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 2jqn n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jqn n ARG 21 N 0.00 0.44 -3.48 1.61 1.74 -1.24 -0.86 116.66 114.87 2jqn n ARG 21 Ca 0.00 -1.14 -0.27 0.00 -0.77 0.00 0.00 57.85 55.67 2jqn n ARG 21 Cb 0.00 -0.23 -0.13 0.00 -1.02 0.00 0.00 32.46 31.08 2jqn n ARG 21 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 2jqn s PHE 22 N -0.96 0.38 0.01 -1.55 5.36 0.38 -4.37 117.98 117.22 2jqn s PHE 22 Ca 0.26 -1.15 0.29 0.00 -0.96 0.00 0.00 56.93 55.38 2jqn s PHE 22 Cb -0.02 -0.83 1.07 0.00 -0.34 0.00 0.00 43.02 42.91 2jqn s PHE 22 CO 0.17 -0.85 1.88 0.93 -1.46 0.00 0.00 175.22 175.89 2jqn h GLU 23 N 7.66 0.00 0.00 10.12 4.39 -1.92 -2.25 114.58 132.57 2jqn h GLU 23 Ca -0.06 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.64 2jqn h GLU 23 Cb 1.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.65 2jqn h GLU 23 CO 0.33 0.06 0.00 0.41 -1.16 0.00 0.00 179.01 178.65 2jqn n GLY 24 N 0.27 4.30 0.66 -3.84 0.00 -1.26 -4.78 105.19 100.54 2jqn n GLY 24 Ca 0.01 -1.43 -0.04 0.00 0.00 0.00 0.00 46.02 44.56 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 0.00 0.21 -0.14 1.61 3.41 -1.26 -4.72 113.62 112.72 2jqn n SER 25 Ca 0.00 -1.18 -0.06 0.00 -0.26 0.00 0.00 58.87 57.37 2jqn n SER 25 Cb 0.00 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 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 -0.63 -0.06 0.37 7.33 0.00 -2.01 -0.80 119.26 123.47 2jqn h ALA 26 Ca -0.06 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 2jqn h ALA 26 Cb 0.21 0.67 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2jqn h ALA 26 CO 0.06 -0.66 -0.19 0.28 0.00 0.00 0.00 179.25 178.74 2jqn h VAL 27 N -0.19 0.62 -0.33 0.00 2.07 -1.99 -1.34 116.25 115.08 2jqn h VAL 27 Ca 0.20 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.75 2jqn h VAL 27 Cb 0.52 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 2jqn h VAL 27 CO -0.57 0.00 0.15 0.44 0.02 0.00 0.00 177.57 177.61 2jqn h ASP 28 N -0.51 0.20 0.91 0.57 3.32 -1.73 -0.78 116.42 118.41 2jqn h ASP 28 Ca -0.05 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.02 2jqn h ASP 28 Cb 0.40 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.93 2jqn h ASP 28 CO 0.08 0.15 0.00 -0.07 -1.72 0.00 0.00 179.24 177.68 2jqn h LEU 29 N 0.31 0.00 0.26 1.55 3.38 -1.15 -1.82 115.31 117.84 2jqn h LEU 29 Ca 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 2jqn h LEU 29 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2jqn h LEU 29 CO -0.12 0.00 -0.13 0.00 0.09 0.00 0.00 178.44 178.29 2jqn h ALA 30 N 2.17 -0.35 0.01 1.53 0.00 0.05 -3.39 119.26 119.28 2jqn h ALA 30 Ca 0.00 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 2jqn h ALA 30 Cb 0.46 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2jqn h ALA 30 CO 0.00 -0.42 -0.00 0.38 0.00 0.00 0.00 179.25 179.20 2jqn h ASP 31 N -0.90 -0.01 0.00 0.00 3.04 -1.47 -3.49 116.42 113.59 2jqn h ASP 31 Ca -0.04 -0.80 0.00 0.00 -3.24 0.00 0.00 57.03 52.95 2jqn h ASP 31 Cb 0.51 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.80 2jqn h ASP 31 CO 0.06 0.87 0.00 0.61 -2.04 0.00 0.00 179.24 178.74 2jqn n GLY 32 N 1.50 1.48 3.23 7.15 0.00 -0.69 -5.14 105.19 112.72 2jqn n GLY 32 Ca -0.08 -0.12 -0.16 0.00 0.00 0.00 0.00 46.02 45.66 2jqn n GLY 32 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jqn s PHE 33 N 0.00 1.27 -0.23 1.61 0.08 -1.18 -4.87 117.98 114.65 2jqn s PHE 33 Ca 0.00 -0.66 -0.29 0.00 0.12 0.00 0.00 56.93 56.10 2jqn s PHE 33 Cb 0.00 -0.66 -0.02 0.00 -0.57 0.00 0.00 43.02 41.77 2jqn s PHE 33 CO 0.00 0.09 1.57 0.42 -0.10 0.00 0.00 175.22 177.20 2jqn s ILE 34 N -2.70 3.76 -0.13 0.64 1.01 -1.26 -4.58 121.20 117.93 2jqn s ILE 34 Ca 0.11 0.85 -0.28 0.00 0.00 0.00 0.00 60.65 61.34 2jqn s ILE 34 Cb -0.01 -3.78 -0.01 0.00 0.01 0.00 0.00 42.46 38.67 2jqn s ILE 34 CO 0.01 -0.32 0.95 -1.00 0.00 0.00 0.00 174.94 174.58 2jqn s HIS 35 N 5.10 3.48 -0.32 3.97 3.76 -1.26 -3.96 115.29 126.06 2jqn s HIS 35 Ca 0.69 1.48 -0.06 0.00 -0.15 0.00 0.00 55.06 57.02 2jqn s HIS 35 Cb -0.24 -3.13 0.03 0.00 1.11 0.00 0.00 32.58 30.35 2jqn s HIS 35 CO 0.28 -0.24 0.09 -0.51 -0.85 0.00 0.00 174.74 173.51 2jqn s LEU 36 N 2.11 4.14 -0.56 0.89 1.43 -1.22 -4.91 118.68 120.56 2jqn s LEU 36 Ca 0.45 -1.04 -0.28 0.00 -1.03 0.00 0.00 54.13 52.23 2jqn s LEU 36 Cb -0.17 -1.85 0.02 0.00 0.03 0.00 0.00 46.19 44.21 2jqn s LEU 36 CO 0.15 -0.28 1.32 -0.44 0.23 0.00 0.00 176.35 177.33 2jqn s SER 37 N 1.41 6.28 -0.61 2.29 0.01 0.16 -4.01 113.70 119.22 2jqn s SER 37 Ca -0.01 0.24 -0.27 0.00 1.31 0.00 0.00 55.95 57.22 2jqn s SER 37 Cb -0.19 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.49 2jqn s SER 37 CO 0.02 -1.59 1.60 0.00 0.41 0.00 0.00 173.24 173.68 2jqn s ALA 38 N 5.54 2.52 0.00 1.44 0.00 -1.26 -1.18 121.76 128.82 2jqn s ALA 38 Ca 0.49 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.67 2jqn s ALA 38 Cb -0.09 -4.22 0.00 0.00 0.00 0.00 0.00 23.12 18.80 2jqn s ALA 38 CO 0.26 -3.42 0.00 0.41 0.00 0.00 0.00 175.76 173.01 2jqn n GLY 39 N 5.49 0.49 0.29 0.00 0.00 -1.25 -1.24 105.19 108.97 2jqn n GLY 39 Ca 0.14 0.56 0.07 0.00 0.00 0.00 0.00 46.02 46.79 2jqn n GLY 39 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2jqn h GLU 40 N 0.00 0.49 -0.57 1.61 5.08 -1.95 0.56 114.58 119.80 2jqn h GLU 40 Ca 0.00 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 2jqn h GLU 40 Cb 0.00 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.11 2jqn h GLU 40 CO 0.00 0.33 0.19 0.37 -1.00 0.00 0.00 179.01 178.90 2jqn h GLN 41 N 0.51 0.86 -0.50 2.33 4.15 -1.48 -2.61 115.11 118.35 2jqn h GLN 41 Ca 0.45 -0.15 -0.00 0.00 0.77 0.00 0.00 58.65 59.71 2jqn h GLN 41 Cb 0.68 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 28.21 2jqn h GLN 41 CO -0.40 0.73 0.30 0.00 -1.93 0.00 0.00 178.83 177.53 2jqn h ALA 42 N 1.37 0.64 -0.39 3.38 0.00 -1.03 0.11 119.26 123.34 2jqn h ALA 42 Ca 0.19 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 2jqn h ALA 42 Cb 0.23 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2jqn h ALA 42 CO -0.01 0.14 -0.17 0.37 0.00 0.00 0.00 179.25 179.58 2jqn h GLN 43 N 0.67 0.73 0.64 0.00 4.15 -1.33 0.15 115.11 120.12 2jqn h GLN 43 Ca 0.18 -0.26 -0.03 0.00 0.77 0.00 0.00 58.65 59.31 2jqn h GLN 43 Cb 0.01 -0.05 0.01 0.00 0.21 0.00 0.00 27.48 27.65 2jqn h GLN 43 CO -0.03 0.85 -0.31 1.49 -1.93 0.00 0.00 178.83 178.91 2jqn h GLU 44 N 0.65 -0.82 -0.90 1.69 4.81 -1.07 0.27 114.58 119.20 2jqn h GLU 44 Ca 0.10 0.06 0.06 0.00 -0.13 0.00 0.00 59.36 59.45 2jqn h GLU 44 Cb 0.65 0.19 -0.06 0.00 0.63 0.00 0.00 28.75 30.16 2jqn h GLU 44 CO 0.05 -0.53 0.59 1.15 -0.73 0.00 0.00 179.01 179.53 2jqn h THR 45 N -0.92 1.08 -0.44 0.32 2.02 -0.94 -1.29 112.91 112.73 2jqn h THR 45 Ca -0.09 -0.35 -0.13 0.00 0.77 0.00 0.00 66.41 66.61 2jqn h THR 45 Cb 0.68 -0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.03 2jqn h THR 45 CO 0.14 0.19 -0.25 0.00 0.37 0.00 0.00 175.52 175.98 2jqn h ALA 46 N 1.51 0.73 0.00 6.16 0.00 -0.56 0.21 119.26 127.31 2jqn h ALA 46 Ca 0.38 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2jqn h ALA 46 Cb 0.18 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2jqn h ALA 46 CO -0.14 0.66 0.00 0.00 0.00 0.00 0.00 179.25 179.77 2jqn h ALA 47 N 0.92 1.00 0.00 0.00 0.00 0.05 0.14 119.26 121.38 2jqn h ALA 47 Ca 0.10 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 2jqn h ALA 47 Cb 0.81 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 2jqn h ALA 47 CO 0.07 0.00 -0.88 1.17 0.00 0.00 0.00 179.25 179.61 2jqn n LYS 48 N -2.98 0.50 -0.07 0.00 4.81 -0.53 -4.46 118.16 115.43 2jqn n LYS 48 Ca 0.02 0.44 -0.09 0.00 -0.87 0.00 0.00 58.31 57.81 2jqn n LYS 48 Cb 0.40 -1.62 -0.06 0.00 0.02 0.00 0.00 35.03 33.76 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 -1.00 0.00 -0.38 5.64 4.06 -0.70 -3.39 115.95 120.18 2jqn h TRP 49 Ca -0.10 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.85 2jqn h TRP 49 Cb 0.82 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.98 2jqn h TRP 49 CO -0.22 0.55 0.00 1.19 -3.56 0.00 0.00 178.44 176.40 2jqn n PHE 50 N -4.61 1.14 -1.87 0.49 3.72 -0.83 -4.90 117.46 110.60 2jqn n PHE 50 Ca -0.12 -0.42 -0.43 0.00 -0.05 0.00 0.00 57.45 56.44 2jqn n PHE 50 Cb 0.34 -0.28 -0.03 0.00 -0.94 0.00 0.00 39.48 38.58 2jqn n PHE 50 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 2jqn s ARG 51 N -1.93 3.60 -1.21 -1.08 3.00 0.43 -2.71 118.95 119.05 2jqn s ARG 51 Ca 0.33 1.91 0.00 0.00 -1.00 0.00 0.00 55.73 56.97 2jqn s ARG 51 Cb 0.24 -4.18 0.00 0.00 0.00 0.00 0.00 34.95 31.01 2jqn s ARG 51 CO 0.12 -1.54 0.00 0.41 0.00 0.00 0.00 175.30 174.29 2jqn n GLY 52 N 5.06 0.46 3.98 8.12 0.00 -0.54 -5.02 105.19 117.26 2jqn n GLY 52 Ca 0.23 -0.38 -0.20 0.00 0.00 0.00 0.00 46.02 45.67 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 -4.01 3.23 0.48 1.61 -0.21 -1.10 -5.10 119.66 114.55 2jqn s GLN 53 Ca 0.00 -0.92 0.07 0.00 0.02 0.00 0.00 55.36 54.52 2jqn s GLN 53 Cb 0.00 -2.84 0.00 0.00 1.00 0.00 0.00 33.01 31.17 2jqn s GLN 53 CO 0.00 0.19 0.37 0.00 -2.12 0.00 0.00 175.29 173.72 2jqn s ALA 54 N -2.11 4.17 -1.72 6.09 0.00 -1.26 -4.67 121.76 122.26 2jqn s ALA 54 Ca 0.41 -1.65 0.00 0.00 0.00 0.00 0.00 51.96 50.73 2jqn s ALA 54 Cb -0.09 -0.79 0.00 0.00 0.00 0.00 0.00 23.12 22.24 2jqn s ALA 54 CO 0.30 -0.34 0.00 0.09 0.00 0.00 0.00 175.76 175.82 2jqn n ASN 55 N -1.62 -5.29 -4.55 0.00 3.02 -1.26 -4.84 115.26 100.72 2jqn n ASN 55 Ca 0.01 0.17 -0.43 0.00 -0.03 0.00 0.00 54.58 54.30 2jqn n ASN 55 Cb 0.63 -4.37 -0.05 0.00 -0.61 0.00 0.00 39.78 35.38 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 -4.84 4.23 -0.14 3.41 1.43 -1.26 0.64 118.68 122.15 2jqn s LEU 56 Ca 0.00 0.02 -0.10 0.00 -1.03 0.00 0.00 54.13 53.02 2jqn s LEU 56 Cb 0.00 -2.96 -0.05 0.00 0.03 0.00 0.00 46.19 43.22 2jqn s LEU 56 CO 0.00 -0.84 0.19 -0.69 0.23 0.00 0.00 176.35 175.24 2jqn s VAL 57 N 3.19 5.40 -0.44 -1.59 1.01 0.01 -1.51 120.40 126.47 2jqn s VAL 57 Ca 0.30 0.32 -0.13 0.00 0.00 0.00 0.00 61.98 62.46 2jqn s VAL 57 Cb -0.13 -3.49 0.06 0.00 0.00 0.00 0.00 36.38 32.83 2jqn s VAL 57 CO 0.21 0.53 0.33 -0.22 0.00 0.00 0.00 175.10 175.94 2jqn s LEU 58 N -0.41 5.34 -0.52 3.92 0.20 0.13 -1.88 118.68 125.46 2jqn s LEU 58 Ca 0.14 -1.29 -0.25 0.00 0.69 0.00 0.00 54.13 53.42 2jqn s LEU 58 Cb -0.12 -2.11 0.03 0.00 -0.43 0.00 0.00 46.19 43.56 2jqn s LEU 58 CO 0.03 -0.57 0.97 -0.76 -0.29 0.00 0.00 176.35 175.74 2jqn s LEU 59 N 1.58 3.97 -0.29 -0.68 1.43 -0.48 -2.28 118.68 121.93 2jqn s LEU 59 Ca 0.04 -0.12 -0.10 0.00 -1.03 0.00 0.00 54.13 52.91 2jqn s LEU 59 Cb -0.23 -3.01 -0.03 0.00 0.03 0.00 0.00 46.19 42.96 2jqn s LEU 59 CO 0.06 -1.20 0.16 0.00 0.23 0.00 0.00 176.35 175.59 2jqn s ALA 60 N 4.03 3.35 -0.22 4.21 0.00 -0.58 -0.70 121.76 131.84 2jqn s ALA 60 Ca 0.35 -1.24 0.00 0.00 0.00 0.00 0.00 51.96 51.06 2jqn s ALA 60 Cb -0.11 -2.38 0.03 0.00 0.00 0.00 0.00 23.12 20.66 2jqn s ALA 60 CO 0.23 -0.71 -0.12 0.08 0.00 0.00 0.00 175.76 175.24 2jqn s VAL 61 N 1.67 2.49 -0.73 0.00 1.01 -0.17 -0.57 120.40 124.09 2jqn s VAL 61 Ca 0.06 -1.07 -0.26 0.00 0.00 0.00 0.00 61.98 60.71 2jqn s VAL 61 Cb -0.16 -2.22 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 2jqn s VAL 61 CO 0.08 0.29 1.91 -1.61 0.00 0.00 0.00 175.10 175.76 2jqn s GLU 62 N 1.28 2.58 0.06 2.72 8.01 -1.26 -2.40 118.70 129.69 2jqn s GLU 62 Ca 0.01 0.24 -0.14 0.00 0.01 0.00 0.00 54.97 55.09 2jqn s GLU 62 Cb -0.16 -4.67 -0.04 0.00 -4.31 0.00 0.00 34.13 24.95 2jqn s GLU 62 CO -0.07 -3.02 1.24 0.00 0.01 0.00 0.00 175.26 173.41 2jqn h ALA 63 N 13.47 -0.36 -2.80 5.21 0.00 -1.73 -3.49 119.26 129.57 2jqn h ALA 63 Ca -0.11 0.03 0.23 0.00 0.00 0.00 0.00 54.91 55.06 2jqn h ALA 63 Cb 1.10 1.05 -0.13 0.00 0.00 0.00 0.00 17.79 19.81 2jqn h ALA 63 CO 1.21 -0.51 -0.97 0.39 0.00 0.00 0.00 179.25 179.37 2jqn n GLU 64 N -3.93 -2.74 -0.82 0.00 -0.58 -1.26 -4.32 120.64 107.00 2jqn n GLU 64 Ca -0.00 2.22 -0.21 0.00 -0.42 0.00 0.00 57.16 58.75 2jqn n GLU 64 Cb 0.13 -3.09 -0.04 0.00 -0.57 0.00 0.00 31.44 27.86 2jqn n GLU 64 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 2jqn n PRO 65 N -3.60 2.16 0.20 3.49 -0.04 -1.26 -4.62 135.00 131.33 2jqn n PRO 65 Ca -0.06 -1.37 0.04 0.00 -0.04 0.00 0.00 63.50 62.07 2jqn n PRO 65 Cb 0.51 -2.35 0.42 0.00 -0.04 0.00 0.00 33.50 32.04 2jqn n PRO 65 CO 0.00 0.00 0.00 1.37 -0.04 0.00 0.00 175.50 176.83 2jqn h LEU 66 N 7.30 0.00 0.00 1.53 8.10 -1.98 -3.47 115.31 126.79 2jqn h LEU 66 Ca 0.46 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.45 2jqn h LEU 66 Cb 0.40 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.62 2jqn h LEU 66 CO 1.21 0.32 0.00 0.61 -4.11 0.00 0.00 178.44 176.47 2jqn n GLY 67 N -0.46 1.29 0.28 0.17 0.00 -1.26 -4.99 105.19 100.22 2jqn n GLY 67 Ca -0.02 -0.48 0.15 0.00 0.00 0.00 0.00 46.02 45.68 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 0.00 0.00 1.61 4.11 -2.00 -2.04 114.58 116.27 2jqn h GLU 68 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2jqn h GLU 68 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2jqn h GLU 68 CO 0.00 0.07 0.00 -0.40 0.07 0.00 0.00 179.01 178.75 2jqn n ASP 69 N -3.57 0.00 -4.34 3.06 5.75 -1.26 -3.99 116.55 112.20 2jqn n ASP 69 Ca -0.02 0.46 -0.45 0.00 -0.01 0.00 0.00 54.79 54.77 2jqn n ASP 69 Cb 0.19 -0.48 -0.05 0.00 -1.03 0.00 0.00 41.12 39.75 2jqn n ASP 69 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 2jqn s LEU 70 N -2.95 5.88 -0.09 -2.12 2.96 -0.77 -1.67 118.68 119.92 2jqn s LEU 70 Ca 0.04 -1.61 0.03 0.00 -0.22 0.00 0.00 54.13 52.37 2jqn s LEU 70 Cb 0.05 -2.24 -0.01 0.00 0.50 0.00 0.00 46.19 44.49 2jqn s LEU 70 CO 0.15 -0.89 -0.18 -0.75 -1.32 0.00 0.00 176.35 173.36 2jqn s LYS 71 N 1.90 2.94 -0.91 1.98 2.20 -0.83 -4.93 119.74 122.10 2jqn s LYS 71 Ca 0.06 -0.77 -0.24 0.00 -0.36 0.00 0.00 55.97 54.65 2jqn s LYS 71 Cb -0.27 -2.42 -0.01 0.00 -1.51 0.00 0.00 37.83 33.62 2jqn s LYS 71 CO 0.05 0.34 1.72 -1.58 -0.36 0.00 0.00 175.35 175.52 2jqn s TRP 72 N -0.01 2.08 0.30 4.03 0.52 -1.26 -0.57 118.94 124.03 2jqn s TRP 72 Ca -0.05 0.09 -0.27 0.00 0.02 0.00 0.00 56.10 55.88 2jqn s TRP 72 Cb -0.15 -4.31 -0.10 0.00 -1.15 0.00 0.00 33.47 27.77 2jqn s TRP 72 CO 0.05 -1.88 0.96 -2.00 0.02 0.00 0.00 176.95 174.09 2jqn s GLU 73 N 6.22 4.63 -0.56 4.98 2.56 0.67 -4.73 118.70 132.47 2jqn s GLU 73 Ca 0.59 1.41 -0.00 0.00 0.00 0.00 0.00 54.97 56.97 2jqn s GLU 73 Cb -0.05 -2.93 0.14 0.00 2.00 0.00 0.00 34.13 33.29 2jqn s GLU 73 CO -0.01 0.31 0.34 0.00 -0.56 0.00 0.00 175.26 175.34 2jqn s ALA 74 N -1.48 3.42 0.98 6.30 0.00 -1.26 -0.09 121.76 129.63 2jqn s ALA 74 Ca 0.48 -3.15 -0.12 0.00 0.00 0.00 0.00 51.96 49.17 2jqn s ALA 74 Cb -0.22 -2.45 0.18 0.00 0.00 0.00 0.00 23.12 20.63 2jqn s ALA 74 CO 0.27 -2.02 1.09 -1.12 0.00 0.00 0.00 175.76 173.98 2jqn s SER 75 N 0.52 2.79 -0.66 0.00 0.01 -1.26 -4.85 113.70 110.26 2jqn s SER 75 Ca 0.16 1.26 -0.26 0.00 1.31 0.00 0.00 55.95 58.43 2jqn s SER 75 Cb -0.22 -1.93 -0.12 0.00 0.21 0.00 0.00 66.02 63.96 2jqn s SER 75 CO -0.03 -3.03 2.42 -1.14 0.41 0.00 0.00 173.24 171.87 2jqn n ARG 76 N -4.12 0.76 0.00 12.44 3.00 -1.26 -3.23 116.66 124.24 2jqn n ARG 76 Ca 0.06 -0.35 0.00 0.00 -0.00 0.00 0.00 57.85 57.56 2jqn n ARG 76 Cb 0.57 -3.36 0.00 0.00 0.00 0.00 0.00 32.46 29.66 2jqn n ARG 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2jqn n GLY 77 N 6.34 0.16 0.00 5.14 0.00 -1.26 -5.14 105.19 110.42 2jqn n GLY 77 Ca 0.44 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.56 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 -0.54 5.16 -0.02 0.00 -1.20 -5.18 105.19 103.42 2jqn n GLY 78 Ca 0.00 -0.84 0.06 0.00 0.00 0.00 0.00 46.02 45.24 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 0.00 -1.08 -3.52 4.61 0.00 -1.26 -4.42 120.51 114.84 2jqn n ALA 79 Ca 0.00 0.13 -0.27 0.00 0.00 0.00 0.00 53.44 53.30 2jqn n ALA 79 Cb 0.00 -0.37 -0.17 0.00 0.00 0.00 0.00 19.45 18.91 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 -0.68 2.01 -0.43 0.00 0.52 -1.26 -4.68 118.95 114.43 2jqn s ARG 80 Ca 0.00 -0.50 0.04 0.00 -0.52 0.00 0.00 55.73 54.74 2jqn s ARG 80 Cb 0.00 -1.67 0.12 0.00 0.52 0.00 0.00 34.95 33.92 2jqn s ARG 80 CO 0.00 0.00 0.16 -0.06 0.02 0.00 0.00 175.30 175.42 2jqn s PHE 81 N 0.78 3.22 -0.49 -0.53 0.08 0.87 -4.59 117.98 117.32 2jqn s PHE 81 Ca -0.12 -2.95 -0.27 0.00 0.12 0.00 0.00 56.93 53.71 2jqn s PHE 81 Cb -0.16 -2.71 -0.03 0.00 -0.57 0.00 0.00 43.02 39.55 2jqn s PHE 81 CO 0.02 -0.84 1.96 -1.25 -0.10 0.00 0.00 175.22 175.01 2jqn s PRO 82 N 0.37 2.75 -0.33 0.24 0.04 -1.26 -0.24 135.00 136.57 2jqn s PRO 82 Ca 0.14 1.04 -0.12 0.00 0.04 0.00 0.00 61.00 62.11 2jqn s PRO 82 Cb -0.22 -4.37 -0.01 0.00 0.04 0.00 0.00 34.50 29.93 2jqn s PRO 82 CO -0.05 -2.56 0.21 -1.01 0.04 0.00 0.00 177.00 173.63 2jqn s HIS 83 N 9.02 3.21 -0.45 0.56 3.76 0.27 -3.39 115.29 128.26 2jqn s HIS 83 Ca 0.78 -0.32 -0.18 0.00 -0.15 0.00 0.00 55.06 55.19 2jqn s HIS 83 Cb -0.17 -2.44 0.04 0.00 1.11 0.00 0.00 32.58 31.12 2jqn s HIS 83 CO 0.26 -0.39 0.49 -1.17 -0.85 0.00 0.00 174.74 173.08 2jqn s LEU 84 N 1.69 4.98 -0.87 0.89 2.96 -1.25 -1.96 118.68 125.11 2jqn s LEU 84 Ca 0.06 -0.81 -0.08 0.00 -0.22 0.00 0.00 54.13 53.08 2jqn s LEU 84 Cb -0.17 -2.39 -0.15 0.00 0.50 0.00 0.00 46.19 43.98 2jqn s LEU 84 CO 0.09 -0.68 3.21 -1.22 -1.32 0.00 0.00 176.35 176.43 2jqn n TYR 85 N 5.72 1.37 -4.07 5.38 4.01 -0.67 -4.35 117.16 124.54 2jqn n TYR 85 Ca -0.08 -2.36 -0.08 0.00 -0.16 0.00 0.00 57.90 55.23 2jqn n TYR 85 Cb 0.46 -2.03 -0.10 0.00 -0.31 0.00 0.00 39.34 37.36 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 1.33 0.73 -0.64 -0.72 1.81 -1.26 -5.06 118.95 115.15 2jqn s ARG 86 Ca 0.67 -1.24 -0.27 0.00 -1.72 0.00 0.00 55.73 53.18 2jqn s ARG 86 Cb 0.25 0.24 0.03 0.00 -0.45 0.00 0.00 34.95 35.02 2jqn s ARG 86 CO -0.04 -0.18 1.18 -1.25 -0.68 0.00 0.00 175.30 174.33 2jqn s PRO 87 N -3.94 3.36 -0.11 3.54 0.04 -1.26 -4.85 135.00 131.77 2jqn s PRO 87 Ca 0.11 -0.04 -0.30 0.00 0.04 0.00 0.00 61.00 60.82 2jqn s PRO 87 Cb 0.07 -4.09 -0.02 0.00 0.04 0.00 0.00 34.50 30.50 2jqn s PRO 87 CO -0.07 -1.83 1.21 -0.51 0.04 0.00 0.00 177.00 175.84 2jqn s LEU 88 N 5.06 4.23 -0.46 -3.56 1.02 -0.85 -4.66 118.68 119.47 2jqn s LEU 88 Ca 0.38 1.74 -0.28 0.00 0.02 0.00 0.00 54.13 55.98 2jqn s LEU 88 Cb -0.09 -3.55 -0.00 0.00 0.02 0.00 0.00 46.19 42.57 2jqn s LEU 88 CO 0.20 -0.66 1.63 -0.76 0.02 0.00 0.00 176.35 176.79 2jqn s LEU 89 N 2.78 3.46 -1.49 1.79 1.43 -1.26 0.14 118.68 125.52 2jqn s LEU 89 Ca 0.55 0.75 -0.12 0.00 -1.03 0.00 0.00 54.13 54.28 2jqn s LEU 89 Cb -0.23 -3.21 0.07 0.00 0.03 0.00 0.00 46.19 42.86 2jqn s LEU 89 CO 0.18 -1.78 0.93 0.52 0.23 0.00 0.00 176.35 176.42 2jqn n VAL 90 N 7.17 -1.99 -1.49 -1.59 0.31 -0.04 0.24 118.33 120.93 2jqn n VAL 90 Ca 0.18 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.34 2jqn n VAL 90 Cb 0.49 -2.90 -0.07 0.00 -0.91 0.00 0.00 33.84 30.45 2jqn n VAL 90 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2jqn n SER 91 N -2.77 -4.57 -3.57 4.52 7.64 -0.96 -1.40 113.62 112.52 2jqn n SER 91 Ca 0.02 0.42 -0.25 0.00 1.01 0.00 0.00 58.87 60.07 2jqn n SER 91 Cb 0.54 -4.10 -0.02 0.00 -1.01 0.00 0.00 64.21 59.62 2jqn n SER 91 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2jqn n GLU 92 N -2.10 -2.82 -1.97 1.43 1.02 0.14 -4.83 120.64 111.50 2jqn n GLU 92 Ca -0.17 0.34 -0.40 0.00 -0.02 0.00 0.00 57.16 56.91 2jqn n GLU 92 Cb 0.57 -5.00 -0.03 0.00 -0.02 0.00 0.00 31.44 26.96 2jqn n GLU 92 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2jqn s VAL 93 N -2.91 3.37 -0.07 2.62 1.01 -0.49 -4.86 120.40 119.07 2jqn s VAL 93 Ca 0.47 0.30 -0.27 0.00 0.00 0.00 0.00 61.98 62.48 2jqn s VAL 93 Cb -0.26 -3.72 -0.23 0.00 0.00 0.00 0.00 36.38 32.17 2jqn s VAL 93 CO 0.58 -0.61 1.03 0.74 0.00 0.00 0.00 175.10 176.84 2jqn h THR 94 N 6.93 1.58 -4.08 3.92 2.02 -1.88 -3.46 112.91 117.94 2jqn h THR 94 Ca -0.29 -1.74 -0.69 0.00 0.77 0.00 0.00 66.41 64.46 2jqn h THR 94 Cb 1.18 2.75 -0.25 0.00 -1.74 0.00 0.00 68.15 70.08 2jqn h THR 94 CO 1.13 0.46 -0.80 -0.60 0.37 0.00 0.00 175.52 176.08 2jqn s ARG 95 N -3.28 2.50 -0.08 6.66 3.52 0.26 -5.04 118.95 123.49 2jqn s ARG 95 Ca -0.17 -0.75 0.00 0.00 -0.13 0.00 0.00 55.73 54.68 2jqn s ARG 95 Cb -0.00 -2.32 0.02 0.00 -1.56 0.00 0.00 34.95 31.09 2jqn s ARG 95 CO 0.69 0.57 -0.06 -2.00 -0.81 0.00 0.00 175.30 173.69 2jqn s GLU 96 N -0.59 1.17 -0.04 5.12 2.12 -1.26 -1.53 118.70 123.68 2jqn s GLU 96 Ca 0.09 -0.15 -0.11 0.00 0.36 0.00 0.00 54.97 55.16 2jqn s GLU 96 Cb -0.11 -1.24 0.02 0.00 0.26 0.00 0.00 34.13 33.05 2jqn s GLU 96 CO 0.01 -0.19 0.24 0.00 -0.54 0.00 0.00 175.26 174.77 2jqn s ALA 97 N 1.46 -0.60 0.08 6.30 0.00 -0.96 -5.02 121.76 123.02 2jqn s ALA 97 Ca -0.01 0.31 -0.30 0.00 0.00 0.00 0.00 51.96 51.96 2jqn s ALA 97 Cb -0.13 -0.08 -0.05 0.00 0.00 0.00 0.00 23.12 22.86 2jqn s ALA 97 CO -0.04 -0.20 1.10 -0.51 0.00 0.00 0.00 175.76 176.11 2jqn s ASP 98 N -0.87 7.23 0.14 0.00 1.11 -1.26 0.21 116.67 123.23 2jqn s ASP 98 Ca -0.10 1.92 -0.31 0.00 0.18 0.00 0.00 52.55 54.25 2jqn s ASP 98 Cb -0.05 -2.58 -0.10 0.00 1.07 0.00 0.00 42.92 41.26 2jqn s ASP 98 CO 0.02 -0.32 1.62 -0.22 1.18 0.00 0.00 175.17 177.45 2jqn s LEU 99 N 0.61 4.37 -0.40 1.23 2.96 -0.57 -4.80 118.68 122.09 2jqn s LEU 99 Ca 0.54 2.60 -0.20 0.00 -0.22 0.00 0.00 54.13 56.85 2jqn s LEU 99 Cb -0.27 -3.58 0.01 0.00 0.50 0.00 0.00 46.19 42.85 2jqn s LEU 99 CO 0.30 -0.86 0.61 -1.81 -1.32 0.00 0.00 176.35 173.27 2jqn s ASP 100 N 1.63 6.35 0.35 3.68 1.01 -1.26 -4.97 116.67 123.46 2jqn s ASP 100 Ca 0.72 -0.14 0.01 0.00 0.71 0.00 0.00 52.55 53.85 2jqn s ASP 100 Cb -0.43 -2.31 -0.03 0.00 1.01 0.00 0.00 42.92 41.16 2jqn s ASP 100 CO 0.32 -0.66 0.55 -0.76 0.21 0.00 0.00 175.17 174.82 2jqn s LEU 101 N 2.69 3.99 0.00 1.23 1.43 -1.26 -0.63 118.68 126.14 2jqn s LEU 101 Ca 0.22 0.39 0.01 0.00 -1.03 0.00 0.00 54.13 53.73 2jqn s LEU 101 Cb -0.15 -3.25 0.01 0.00 0.03 0.00 0.00 46.19 42.83 2jqn s LEU 101 CO 0.16 -0.33 0.10 -0.90 0.23 0.00 0.00 176.35 175.62 2jqn n ASP 102 N -1.79 0.59 0.00 2.29 5.68 -1.05 -4.84 116.55 117.44 2jqn n ASP 102 Ca -0.04 -1.24 0.05 0.00 -0.50 0.00 0.00 54.79 53.05 2jqn n ASP 102 Cb 0.56 -0.05 0.26 0.00 -1.14 0.00 0.00 41.12 40.76 2jqn n ASP 102 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2jqn n ALA 103 N -2.88 1.65 0.29 2.12 0.00 -1.26 -2.18 120.51 118.25 2jqn n ALA 103 Ca -0.02 -0.05 0.04 0.00 0.00 0.00 0.00 53.44 53.41 2jqn n ALA 103 Cb 0.09 -1.17 -0.06 0.00 0.00 0.00 0.00 19.45 18.31 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 -1.30 1.21 0.00 0.00 8.00 -1.26 -5.01 116.55 118.18 2jqn n ASP 104 Ca 0.05 -0.49 0.00 0.00 0.71 0.00 0.00 54.79 55.06 2jqn n ASP 104 Cb 0.09 1.13 0.00 0.00 -0.02 0.00 0.00 41.12 42.32 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 1.45 0.99 3.66 0.44 0.00 -0.93 -4.89 105.19 105.91 2jqn n GLY 105 Ca 0.01 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.00 5.34 -0.18 1.61 1.01 -1.26 -1.46 120.40 123.46 2jqn s VAL 106 Ca 0.00 0.22 -0.33 0.00 0.00 0.00 0.00 61.98 61.87 2jqn s VAL 106 Cb 0.00 -3.52 -0.10 0.00 0.00 0.00 0.00 36.38 32.76 2jqn s VAL 106 CO 0.00 0.33 2.06 -2.65 0.00 0.00 0.00 175.10 174.84 2jqn n PRO 107 N 4.35 1.89 -2.35 2.72 -0.02 -1.26 -2.53 135.00 137.81 2jqn n PRO 107 Ca -0.14 0.62 -0.36 0.00 -2.02 0.00 0.00 63.50 61.60 2jqn n PRO 107 Cb 0.52 -2.79 -0.03 0.00 -0.02 0.00 0.00 33.50 31.18 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 5.27 3.25 0.06 -0.52 -1.52 0.20 -4.71 119.66 121.69 2jqn s GLN 108 Ca 0.99 -1.22 0.27 0.00 -1.95 0.00 0.00 55.36 53.46 2jqn s GLN 108 Cb -0.62 -5.33 0.99 0.00 -0.22 0.00 0.00 33.01 27.83 2jqn s GLN 108 CO 0.46 -2.86 1.79 1.28 -0.25 0.00 0.00 175.29 175.71 2jqn n LEU 109 N 11.02 0.32 -0.11 2.90 4.32 -1.26 -3.79 117.00 130.40 2jqn n LEU 109 Ca 0.42 0.44 0.16 0.00 -0.02 0.00 0.00 56.01 57.01 2jqn n LEU 109 Cb 0.48 -0.40 0.55 0.00 -1.62 0.00 0.00 43.42 42.42 2jqn n LEU 109 CO 0.68 -0.04 1.20 1.23 -1.22 0.00 0.00 177.39 179.25 2jqn h GLY 110 N 4.84 0.52 2.00 -0.72 0.00 -1.90 0.21 103.07 108.01 2jqn h GLY 110 Ca 0.00 -0.14 -0.09 0.00 0.00 0.00 0.00 47.33 47.11 2jqn h GLY 110 CO 0.00 0.05 -0.42 -1.80 0.00 0.00 0.00 176.54 174.37 2jqn h ASP 111 N 0.32 0.00 0.11 0.19 1.82 -1.98 -3.21 116.42 113.66 2jqn h ASP 111 Ca 0.33 0.00 -0.17 0.00 -0.39 0.00 0.00 57.03 56.80 2jqn h ASP 111 Cb 0.83 0.00 0.02 0.00 0.68 0.00 0.00 39.33 40.86 2jqn h ASP 111 CO -0.08 0.42 -0.72 0.45 -1.61 0.00 0.00 179.24 177.70 2jqn h HIS 112 N 0.00 0.52 -4.38 0.28 3.86 -0.90 -3.47 115.15 111.06 2jqn h HIS 112 Ca -0.00 -0.36 -0.50 0.00 -1.16 0.00 0.00 60.37 58.35 2jqn h HIS 112 Cb 0.87 -0.03 0.08 0.00 1.06 0.00 0.00 27.41 29.40 2jqn h HIS 112 CO 0.00 1.26 0.39 -0.51 0.86 0.00 0.00 177.93 179.93 2jqn s LEU 113 N -8.00 2.99 -0.63 2.43 1.43 -0.09 -4.95 118.68 111.86 2jqn s LEU 113 Ca -0.14 1.35 -0.27 0.00 -1.03 0.00 0.00 54.13 54.05 2jqn s LEU 113 Cb 0.01 -4.20 -0.01 0.00 0.03 0.00 0.00 46.19 42.02 2jqn s LEU 113 CO 0.82 -1.34 1.70 0.00 0.23 0.00 0.00 176.35 177.76 2jqn s ALA 114 N -3.20 2.36 0.02 4.21 0.00 -1.26 -4.90 121.76 118.98 2jqn s ALA 114 Ca 0.58 -0.80 -0.30 0.00 0.00 0.00 0.00 51.96 51.43 2jqn s ALA 114 Cb -0.12 -4.28 -0.05 0.00 0.00 0.00 0.00 23.12 18.67 2jqn s ALA 114 CO 0.54 -3.67 1.22 -0.51 0.00 0.00 0.00 175.76 173.34 2jqn s LEU 115 N 8.08 4.33 0.00 0.00 1.43 -1.26 -5.16 118.68 126.10 2jqn s LEU 115 Ca 0.59 1.96 0.12 0.00 -1.03 0.00 0.00 54.13 55.77 2jqn s LEU 115 Cb -0.12 -3.57 0.69 0.00 0.03 0.00 0.00 46.19 43.23 2jqn s LEU 115 CO 0.20 -0.54 1.13 1.21 0.23 0.00 0.00 176.35 178.58