#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hxj n GLN 3 N 0.00 0.34 0.11 -2.82 6.02 -1.26 -1.65 117.38 118.12 2hxj n GLN 3 Ca 0.00 0.07 -0.17 0.00 -0.01 0.00 0.00 57.00 56.90 2hxj n GLN 3 Cb 0.00 -1.50 -0.14 0.00 1.02 0.00 0.00 30.24 29.62 2hxj n GLN 3 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 2hxj h GLU 4 N 0.00 0.30 0.00 -1.09 4.81 -2.04 -2.85 114.58 113.71 2hxj h GLU 4 Ca 0.00 -0.51 -0.04 0.00 -0.13 0.00 0.00 59.36 58.68 2hxj h GLU 4 Cb 0.19 0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 2hxj h GLU 4 CO 0.00 1.24 -0.54 1.79 -0.73 0.00 0.00 179.01 180.76 2hxj h THR 5 N 0.09 0.24 0.17 0.32 1.35 -1.87 -0.71 112.91 112.50 2hxj h THR 5 Ca -0.14 -1.37 -0.30 0.00 -0.55 0.00 0.00 66.41 64.05 2hxj h THR 5 Cb 1.97 1.96 0.02 0.00 -1.73 0.00 0.00 68.15 70.36 2hxj h THR 5 CO 0.21 0.14 -1.33 0.00 -0.25 0.00 0.00 175.52 174.28 2hxj h ALA 6 N 1.83 0.00 0.23 6.62 0.00 -1.36 -2.60 119.26 123.98 2hxj h ALA 6 Ca -0.02 -0.88 -0.01 0.00 0.00 0.00 0.00 54.91 54.00 2hxj h ALA 6 Cb 1.15 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2hxj h ALA 6 CO 0.02 0.88 -0.11 1.25 0.00 0.00 0.00 179.25 181.29 2hxj h LEU 7 N 0.10 -0.26 -1.91 0.00 5.85 -1.56 -1.39 115.31 116.15 2hxj h LEU 7 Ca -0.18 -0.23 0.29 0.00 0.84 0.00 0.00 57.88 58.60 2hxj h LEU 7 Cb 2.04 0.07 -0.05 0.00 0.37 0.00 0.00 40.66 43.09 2hxj h LEU 7 CO 0.23 0.11 0.73 1.23 -0.34 0.00 0.00 178.44 180.40 2hxj h GLY 8 N -0.67 0.17 1.26 3.75 0.00 -1.20 0.17 103.07 106.56 2hxj h GLY 8 Ca -0.03 -0.03 -0.34 0.00 0.00 0.00 0.00 47.33 46.93 2hxj h GLY 8 CO 0.05 -0.02 -1.49 0.00 0.00 0.00 0.00 176.54 175.09 2hxj h ALA 9 N 1.51 -0.15 -0.13 3.60 0.00 -1.26 -2.75 119.26 120.08 2hxj h ALA 9 Ca 0.50 -0.87 -0.12 0.00 0.00 0.00 0.00 54.91 54.42 2hxj h ALA 9 Cb 1.87 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.83 2hxj h ALA 9 CO -0.05 0.71 -0.43 0.00 0.00 0.00 0.00 179.25 179.49 2hxj h ALA 10 N 0.16 1.04 -0.03 0.00 0.00 0.39 -2.79 119.26 118.03 2hxj h ALA 10 Ca -0.26 -0.43 -0.21 0.00 0.00 0.00 0.00 54.91 54.01 2hxj h ALA 10 Cb 2.17 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.87 2hxj h ALA 10 CO 0.27 0.61 -0.87 -0.07 0.00 0.00 0.00 179.25 179.20 2hxj h LEU 11 N 0.25 0.53 0.09 0.00 3.38 -1.09 -1.66 115.31 116.81 2hxj h LEU 11 Ca 0.02 -0.40 -0.00 0.00 0.09 0.00 0.00 57.88 57.59 2hxj h LEU 11 Cb 0.86 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.45 2hxj h LEU 11 CO 0.07 1.18 -0.04 0.50 0.09 0.00 0.00 178.44 180.24 2hxj h LYS 12 N 0.26 -0.11 -0.53 1.13 3.64 -1.52 -1.00 116.57 118.44 2hxj h LYS 12 Ca -0.06 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.27 2hxj h LYS 12 Cb 1.48 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 33.31 2hxj h LYS 12 CO 0.15 -0.02 0.10 1.03 -2.27 0.00 0.00 179.45 178.44 2hxj h SER 13 N -0.17 0.78 0.07 4.20 0.87 -1.46 -0.86 113.55 116.97 2hxj h SER 13 Ca -0.01 -0.15 -0.00 0.00 -1.23 0.00 0.00 61.79 60.39 2hxj h SER 13 Cb 0.14 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 61.90 2hxj h SER 13 CO 0.02 0.78 -0.03 0.00 -0.53 0.00 0.00 176.83 177.07 2hxj h ALA 14 N 1.31 -0.09 -0.09 6.23 0.00 -1.00 -1.89 119.26 123.74 2hxj h ALA 14 Ca 0.17 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2hxj h ALA 14 Cb 0.34 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2hxj h ALA 14 CO 0.00 -0.38 -0.09 0.28 0.00 0.00 0.00 179.25 179.06 2hxj h VAL 15 N -0.43 1.12 -0.12 0.00 2.07 -1.13 -2.83 116.25 114.93 2hxj h VAL 15 Ca -0.01 -0.52 -0.20 0.00 0.82 0.00 0.00 66.70 66.80 2hxj h VAL 15 Cb 0.37 1.16 0.01 0.00 -1.52 0.00 0.00 31.29 31.31 2hxj h VAL 15 CO 0.02 0.16 -0.70 -0.61 0.02 0.00 0.00 177.57 176.46 2hxj h GLN 16 N 0.12 0.69 -1.58 1.57 4.15 -1.06 -2.37 115.11 116.63 2hxj h GLN 16 Ca 0.03 -0.58 0.00 0.00 0.77 0.00 0.00 58.65 58.87 2hxj h GLN 16 Cb 0.24 0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.06 2hxj h GLN 16 CO 0.01 1.19 0.00 2.41 -1.93 0.00 0.00 178.83 180.51 2hxj n THR 17 N -4.04 0.29 0.00 2.39 -1.04 -0.72 -1.68 114.28 109.48 2hxj n THR 17 Ca -0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 2hxj n THR 17 Cb 0.70 -0.62 0.00 0.00 -1.82 0.00 0.00 70.33 68.59 2hxj n THR 17 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 2hxj n SER 19 N 0.81 0.00 -0.06 8.00 2.88 -0.89 -1.48 113.62 122.87 2hxj n SER 19 Ca 0.00 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.43 2hxj n SER 19 Cb 0.15 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.63 2hxj n SER 19 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2hxj h LYS 20 N 0.00 0.76 -0.80 -1.46 1.57 -1.61 -1.80 116.57 113.23 2hxj h LYS 20 Ca 0.00 -0.43 -0.01 0.00 -1.87 0.00 0.00 60.65 58.34 2hxj h LYS 20 Cb 0.00 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.30 2hxj h LYS 20 CO 0.00 1.05 0.46 -0.22 -0.57 0.00 0.00 179.45 180.18 2hxj h LYS 21 N 0.61 1.10 -0.28 3.15 3.64 -1.52 0.58 116.57 123.85 2hxj h LYS 21 Ca 0.04 -0.11 -0.15 0.00 -1.27 0.00 0.00 60.65 59.15 2hxj h LYS 21 Cb 1.02 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 32.61 2hxj h LYS 21 CO 0.10 0.79 -0.41 -0.22 -2.27 0.00 0.00 179.45 177.44 2hxj h LYS 22 N 1.10 0.76 -0.28 1.90 1.63 -1.78 -1.92 116.57 117.99 2hxj h LYS 22 Ca 0.28 -0.45 -0.09 0.00 -0.85 0.00 0.00 60.65 59.54 2hxj h LYS 22 Cb -0.01 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.65 2hxj h LYS 22 CO -0.05 1.08 -0.20 0.37 -3.45 0.00 0.00 179.45 177.20 2hxj h GLN 23 N 0.51 0.51 -0.23 1.90 4.15 -0.98 -2.87 115.11 118.09 2hxj h GLN 23 Ca 0.03 -0.18 -0.15 0.00 0.77 0.00 0.00 58.65 59.12 2hxj h GLN 23 Cb 1.01 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.65 2hxj h GLN 23 CO 0.09 0.69 -0.48 0.00 -1.93 0.00 0.00 178.83 177.20 2hxj h THR 24 N 0.46 1.30 0.00 2.39 1.03 -0.78 -0.91 112.91 116.40 2hxj h THR 24 Ca 0.07 -1.69 0.00 0.00 -0.01 0.00 0.00 66.41 64.78 2hxj h THR 24 Cb 0.61 1.65 0.00 0.00 -1.07 0.00 0.00 68.15 69.34 2hxj h THR 24 CO 0.04 0.54 0.00 -0.62 -0.01 0.00 0.00 175.52 175.47 2hxj n GLU 25 N -4.00 0.14 0.00 0.00 1.02 -0.73 -0.91 120.64 116.16 2hxj n GLU 25 Ca -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 2hxj n GLU 25 Cb 0.57 -1.33 0.00 0.00 -0.02 0.00 0.00 31.44 30.66 2hxj n GLU 25 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2hxj n ILE 27 N 0.79 0.00 -0.11 -3.67 5.41 -0.35 -1.21 119.36 120.23 2hxj n ILE 27 Ca 0.00 0.00 -0.08 0.00 1.00 0.00 0.00 62.75 63.67 2hxj n ILE 27 Cb 0.06 0.00 -0.00 0.00 -0.71 0.00 0.00 39.64 38.99 2hxj n ILE 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2hxj h ALA 28 N 0.00 0.44 -0.34 -1.39 0.00 -1.29 -0.84 119.26 115.84 2hxj h ALA 28 Ca 0.00 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.95 2hxj h ALA 28 Cb 0.00 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.61 2hxj h ALA 28 CO 0.00 -0.12 -0.01 -0.44 0.00 0.00 0.00 179.25 178.68 2hxj h ASP 29 N 0.45 -0.16 -0.20 0.00 3.32 -1.42 -1.02 116.42 117.39 2hxj h ASP 29 Ca 0.13 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.26 2hxj h ASP 29 Cb -0.03 0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 2hxj h ASP 29 CO -0.04 -0.04 0.13 -0.74 -1.72 0.00 0.00 179.24 176.82 2hxj h HIS 30 N 0.08 0.26 -0.27 4.55 2.76 -1.75 -2.20 115.15 118.58 2hxj h HIS 30 Ca 0.16 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.29 2hxj h HIS 30 Cb 0.23 -0.09 -0.01 0.00 1.55 0.00 0.00 27.41 29.09 2hxj h HIS 30 CO -0.25 0.19 -0.00 0.82 -1.30 0.00 0.00 177.93 177.39 2hxj h ILE 31 N 0.25 1.26 0.00 6.26 2.04 -0.83 -1.15 117.51 125.35 2hxj h ILE 31 Ca 0.07 -0.93 0.00 0.00 1.00 0.00 0.00 64.86 65.01 2hxj h ILE 31 Cb 0.00 1.33 0.00 0.00 -0.74 0.00 0.00 36.82 37.41 2hxj h ILE 31 CO -0.01 0.29 0.00 1.88 0.00 0.00 0.00 178.15 180.31 2hxj h TYR 32 N 0.26 0.00 0.06 1.37 -1.99 -1.18 -0.49 116.97 115.01 2hxj h TYR 32 Ca 0.08 0.00 -0.31 0.00 2.00 0.00 0.00 58.73 60.50 2hxj h TYR 32 Cb 0.43 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.13 2hxj h TYR 32 CO 0.04 0.00 -1.71 0.78 -0.00 0.00 0.00 178.16 177.27 2hxj h GLY 33 N 1.76 0.15 1.10 3.88 0.00 -1.24 -3.41 103.07 105.32 2hxj h GLY 33 Ca 0.00 -0.39 -0.29 0.00 0.00 0.00 0.00 47.33 46.65 2hxj h GLY 33 CO 0.00 0.34 -1.63 1.70 0.00 0.00 0.00 176.54 176.95 2hxj h LYS 34 N 0.04 0.04 -4.97 4.80 3.64 -0.77 -3.47 116.57 115.89 2hxj h LYS 34 Ca -0.30 -0.08 -0.66 0.00 -1.27 0.00 0.00 60.65 58.34 2hxj h LYS 34 Cb 2.01 0.03 -0.29 0.00 -0.41 0.00 0.00 32.23 33.57 2hxj h LYS 34 CO 0.10 0.67 -0.73 0.71 -2.27 0.00 0.00 179.45 177.94 2hxj s TYR 35 N -2.61 2.98 0.37 1.91 1.51 -0.23 -4.99 117.35 116.28 2hxj s TYR 35 Ca -0.06 -1.07 0.04 0.00 -1.01 0.00 0.00 57.07 54.97 2hxj s TYR 35 Cb 0.08 -2.10 0.71 0.00 -0.11 0.00 0.00 41.96 40.54 2hxj s TYR 35 CO 0.82 -0.59 2.02 -0.44 -1.11 0.00 0.00 175.55 176.25 2hxj h ASP 36 N 8.10 0.65 0.02 2.29 3.45 -1.87 -2.48 116.42 126.58 2hxj h ASP 36 Ca -0.40 -0.01 -0.00 0.00 0.43 0.00 0.00 57.03 57.04 2hxj h ASP 36 Cb 1.15 -0.16 -0.00 0.00 -0.56 0.00 0.00 39.33 39.76 2hxj h ASP 36 CO 0.60 0.47 -0.02 -0.37 -1.57 0.00 0.00 179.24 178.35 2hxj h VAL 37 N 0.77 0.87 0.08 -1.35 -1.51 -1.88 0.11 116.25 113.34 2hxj h VAL 37 Ca 0.22 -0.06 -0.16 0.00 -1.23 0.00 0.00 66.70 65.47 2hxj h VAL 37 Cb -0.04 1.03 0.00 0.00 -2.13 0.00 0.00 31.29 30.16 2hxj h VAL 37 CO -0.05 0.02 -0.79 -0.26 -1.23 0.00 0.00 177.57 175.25 2hxj h PHE 38 N 0.00 0.32 -0.27 5.19 -1.00 -1.79 -2.51 116.94 116.88 2hxj h PHE 38 Ca -0.00 -0.23 -0.01 0.00 2.81 0.00 0.00 57.97 60.54 2hxj h PHE 38 Cb 0.03 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 39.56 2hxj h PHE 38 CO 0.00 1.31 0.11 -0.22 -1.61 0.00 0.00 178.31 177.90 2hxj h LYS 39 N -0.59 0.37 -0.59 1.51 3.64 -1.21 -2.26 116.57 117.43 2hxj h LYS 39 Ca -0.17 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 2hxj h LYS 39 Cb 1.46 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.21 2hxj h LYS 39 CO 0.05 0.31 0.00 0.54 -2.27 0.00 0.00 179.45 178.08 2hxj n ARG 40 N -4.43 2.76 -3.85 1.90 1.74 0.00 -5.00 116.66 109.79 2hxj n ARG 40 Ca 0.01 -2.44 -0.27 0.00 -0.77 0.00 0.00 57.85 54.38 2hxj n ARG 40 Cb 0.12 -1.46 0.00 0.00 -1.02 0.00 0.00 32.46 30.10 2hxj n ARG 40 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 2hxj n PHE 41 N 1.26 -1.74 -3.53 -1.55 3.01 -0.85 -4.99 117.46 109.06 2hxj n PHE 41 Ca 0.20 0.66 -0.32 0.00 1.01 0.00 0.00 57.45 59.00 2hxj n PHE 41 Cb 0.55 -3.72 -0.05 0.00 -0.01 0.00 0.00 39.48 36.26 2hxj n PHE 41 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 2hxj s LYS 42 N -6.34 3.73 0.11 -1.08 1.02 -0.96 -4.75 119.74 111.47 2hxj s LYS 42 Ca 0.14 0.12 -0.31 0.00 0.02 0.00 0.00 55.97 55.94 2hxj s LYS 42 Cb -0.05 -2.77 -0.10 0.00 -0.52 0.00 0.00 37.83 34.39 2hxj s LYS 42 CO 0.87 0.40 1.80 -2.14 -0.92 0.00 0.00 175.35 175.37 2hxj s PRO 43 N -2.66 4.15 0.24 -1.68 0.02 -1.26 -4.88 135.00 128.93 2hxj s PRO 43 Ca 0.43 2.56 -0.11 0.00 0.02 0.00 0.00 61.00 63.90 2hxj s PRO 43 Cb -0.12 -3.60 -0.08 0.00 0.02 0.00 0.00 34.50 30.73 2hxj s PRO 43 CO 0.22 -0.83 0.59 -0.51 -0.33 0.00 0.00 177.00 176.15 2hxj s LEU 44 N 2.73 4.17 0.42 -5.54 1.43 -1.26 -0.78 118.68 119.85 2hxj s LEU 44 Ca 0.80 1.02 -0.24 0.00 -1.03 0.00 0.00 54.13 54.67 2hxj s LEU 44 Cb -0.45 -3.72 -0.10 0.00 0.03 0.00 0.00 46.19 41.95 2hxj s LEU 44 CO 0.36 -0.08 1.05 0.00 0.23 0.00 0.00 176.35 177.91 2hxj n ALA 45 N -0.07 0.35 -2.02 4.21 0.00 -0.26 -4.60 120.51 118.12 2hxj n ALA 45 Ca 0.00 0.23 -0.42 0.00 0.00 0.00 0.00 53.44 53.26 2hxj n ALA 45 Cb 0.52 -2.11 -0.03 0.00 0.00 0.00 0.00 19.45 17.84 2hxj n ALA 45 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2hxj s LEU 46 N -0.73 4.40 0.00 0.00 1.43 -1.26 -2.27 118.68 120.25 2hxj s LEU 46 Ca 0.63 2.44 0.00 0.00 -1.03 0.00 0.00 54.13 56.17 2hxj s LEU 46 Cb -0.55 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.06 2hxj s LEU 46 CO 0.57 -0.60 0.00 0.61 0.23 0.00 0.00 176.35 177.16 2hxj n GLY 47 N 2.64 0.78 0.29 -3.19 0.00 -1.26 -4.93 105.19 99.52 2hxj n GLY 47 Ca 0.08 -0.02 0.18 0.00 0.00 0.00 0.00 46.02 46.25 2hxj n GLY 47 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2hxj h ILE 48 N 0.00 0.06 -0.13 -0.61 2.10 -1.82 -2.71 117.51 114.40 2hxj h ILE 48 Ca 0.00 -0.43 0.01 0.00 1.08 0.00 0.00 64.86 65.52 2hxj h ILE 48 Cb 0.00 1.40 -0.01 0.00 -1.09 0.00 0.00 36.82 37.12 2hxj h ILE 48 CO 0.00 0.02 0.06 -2.24 -1.08 0.00 0.00 178.15 174.91 2hxj h ASP 49 N 0.00 0.09 -0.24 2.19 3.04 -1.92 0.52 116.42 120.10 2hxj h ASP 49 Ca -0.00 0.01 -0.03 0.00 -3.24 0.00 0.00 57.03 53.77 2hxj h ASP 49 Cb 0.40 -0.01 -0.02 0.00 -1.04 0.00 0.00 39.33 38.66 2hxj h ASP 49 CO 0.00 0.07 0.07 1.56 -2.04 0.00 0.00 179.24 178.91 2hxj h GLN 50 N 0.14 0.46 -0.15 4.15 1.08 -1.90 -0.58 115.11 118.31 2hxj h GLN 50 Ca 0.05 -0.07 -0.17 0.00 -1.45 0.00 0.00 58.65 57.01 2hxj h GLN 50 Cb 0.01 -0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 27.35 2hxj h GLN 50 CO -0.04 0.43 -0.63 -0.44 -0.95 0.00 0.00 178.83 177.21 2hxj h ASP 51 N 0.46 0.60 0.01 1.46 3.32 -1.37 -1.75 116.42 119.15 2hxj h ASP 51 Ca 0.11 -0.35 -0.14 0.00 0.02 0.00 0.00 57.03 56.67 2hxj h ASP 51 Cb 0.19 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 2hxj h ASP 51 CO -0.00 1.08 -0.46 0.25 -1.72 0.00 0.00 179.24 178.39 2hxj h LEU 52 N 0.39 0.57 -0.23 1.55 5.85 -0.20 -0.64 115.31 122.61 2hxj h LEU 52 Ca -0.01 -0.27 -0.09 0.00 0.84 0.00 0.00 57.88 58.35 2hxj h LEU 52 Cb 1.19 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 42.06 2hxj h LEU 52 CO 0.12 0.95 -0.19 0.40 -0.34 0.00 0.00 178.44 179.37 2hxj h ILE 53 N 0.43 1.32 -0.51 4.05 2.04 -0.91 -0.55 117.51 123.38 2hxj h ILE 53 Ca 0.03 -1.34 -0.07 0.00 1.00 0.00 0.00 64.86 64.48 2hxj h ILE 53 Cb 0.97 1.69 -0.02 0.00 -0.74 0.00 0.00 36.82 38.72 2hxj h ILE 53 CO 0.09 0.41 0.04 0.00 0.00 0.00 0.00 178.15 178.69 2hxj h ALA 54 N 0.67 0.68 0.00 1.87 0.00 -1.27 -2.93 119.26 118.29 2hxj h ALA 54 Ca 0.04 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 2hxj h ALA 54 Cb 0.73 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2hxj h ALA 54 CO 0.05 0.46 -0.34 0.00 0.00 0.00 0.00 179.25 179.42 2hxj h ALA 55 N 0.95 0.96 -2.17 0.00 0.00 -0.95 -3.36 119.26 114.69 2hxj h ALA 55 Ca 0.15 -0.31 -0.60 0.00 0.00 0.00 0.00 54.91 54.15 2hxj h ALA 55 Cb 0.47 -0.05 -0.42 0.00 0.00 0.00 0.00 17.79 17.78 2hxj h ALA 55 CO 0.02 0.43 -0.65 1.28 0.00 0.00 0.00 179.25 180.33 2hxj n LEU 56 N -3.44 3.37 0.11 0.00 4.77 -0.23 -4.90 117.00 116.69 2hxj n LEU 56 Ca 0.00 -5.37 0.11 0.00 -0.03 0.00 0.00 56.01 50.73 2hxj n LEU 56 Cb 0.52 -0.52 0.47 0.00 -2.33 0.00 0.00 43.42 41.55 2hxj n LEU 56 CO 0.36 2.06 0.85 -0.81 -1.33 0.00 0.00 177.39 178.52 2hxj n PRO 57 N 0.90 0.18 0.00 3.23 -0.04 -1.23 -2.69 135.00 135.35 2hxj n PRO 57 Ca 0.29 0.39 0.12 0.00 -0.04 0.00 0.00 63.50 64.25 2hxj n PRO 57 Cb 0.42 -1.83 0.61 0.00 -0.04 0.00 0.00 33.50 32.67 2hxj n PRO 57 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2hxj n GLN 58 N -2.16 0.41 -4.35 0.54 0.00 -1.26 -4.78 117.38 105.78 2hxj n GLN 58 Ca 0.03 0.05 -0.23 0.00 0.00 0.00 0.00 57.00 56.85 2hxj n GLN 58 Cb 0.24 -1.50 -0.11 0.00 0.00 0.00 0.00 30.24 28.87 2hxj n GLN 58 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.06 177.77 2hxj s TYR 59 N -2.47 1.90 0.18 2.61 2.02 -1.10 -5.12 117.35 115.38 2hxj s TYR 59 Ca 0.25 -0.45 -0.31 0.00 -0.37 0.00 0.00 57.07 56.19 2hxj s TYR 59 Cb 0.16 -0.94 -0.10 0.00 -0.40 0.00 0.00 41.96 40.68 2hxj s TYR 59 CO 0.34 0.37 1.50 0.34 -1.57 0.00 0.00 175.55 176.53 2hxj s ASP 60 N -2.70 6.66 0.13 2.29 -1.08 -1.26 -4.95 116.67 115.75 2hxj s ASP 60 Ca 0.17 2.57 -0.19 0.00 -0.52 0.00 0.00 52.55 54.58 2hxj s ASP 60 Cb -0.06 -2.60 -0.05 0.00 -1.46 0.00 0.00 42.92 38.75 2hxj s ASP 60 CO 0.07 -0.76 1.76 0.00 0.52 0.00 0.00 175.17 176.77 2hxj h ALA 61 N 6.36 0.33 -0.57 3.66 0.00 -1.95 -1.22 119.26 125.86 2hxj h ALA 61 Ca -0.43 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2hxj h ALA 61 Cb 1.21 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 2hxj h ALA 61 CO 0.87 -0.17 0.36 0.00 0.00 0.00 0.00 179.25 180.31 2hxj h ALA 62 N 1.06 1.56 0.00 0.00 0.00 -2.00 -1.57 119.26 118.32 2hxj h ALA 62 Ca 0.09 -0.05 -0.18 0.00 0.00 0.00 0.00 54.91 54.77 2hxj h ALA 62 Cb 0.00 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 2hxj h ALA 62 CO -0.02 0.39 -0.89 -0.07 0.00 0.00 0.00 179.25 178.67 2hxj h LEU 63 N 0.78 0.00 -0.91 0.00 3.38 -1.89 -2.36 115.31 114.32 2hxj h LEU 63 Ca 0.21 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.13 2hxj h LEU 63 Cb -0.06 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 2hxj h LEU 63 CO -0.04 0.85 0.24 0.40 0.09 0.00 0.00 178.44 179.98 2hxj h ILE 64 N 0.00 1.24 -0.12 1.22 2.04 -0.71 -1.14 117.51 120.05 2hxj h ILE 64 Ca -0.02 -0.81 -0.11 0.00 1.00 0.00 0.00 64.86 64.92 2hxj h ILE 64 Cb 1.67 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 38.20 2hxj h ILE 64 CO 0.11 0.32 -0.41 0.00 0.00 0.00 0.00 178.15 178.17 2hxj h ALA 65 N 1.25 1.08 -0.49 1.87 0.00 -1.16 -1.81 119.26 120.00 2hxj h ALA 65 Ca 0.23 -0.42 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 2hxj h ALA 65 Cb 0.25 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2hxj h ALA 65 CO -0.01 0.60 -0.10 -0.09 0.00 0.00 0.00 179.25 179.64 2hxj h ARG 66 N 0.22 0.93 -0.67 0.00 2.43 -0.88 -1.19 114.38 115.22 2hxj h ARG 66 Ca 0.02 -0.35 -0.04 0.00 -0.81 0.00 0.00 59.98 58.80 2hxj h ARG 66 Cb 0.83 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.29 2hxj h ARG 66 CO 0.07 1.01 0.26 0.28 -1.51 0.00 0.00 179.97 180.07 2hxj h VAL 67 N 0.79 1.24 -0.66 0.20 2.07 -0.93 0.14 116.25 119.11 2hxj h VAL 67 Ca 0.13 -0.78 -0.09 0.00 0.82 0.00 0.00 66.70 66.78 2hxj h VAL 67 Cb 0.66 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 2hxj h VAL 67 CO 0.05 0.31 0.07 0.25 0.02 0.00 0.00 177.57 178.27 2hxj h LEU 68 N 0.96 1.07 -0.58 2.57 5.85 -1.12 0.16 115.31 124.22 2hxj h LEU 68 Ca 0.22 -0.27 -0.15 0.00 0.84 0.00 0.00 57.88 58.52 2hxj h LEU 68 Cb 0.23 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 2hxj h LEU 68 CO -0.02 1.08 -0.52 0.00 -0.34 0.00 0.00 178.44 178.64 2hxj h ALA 69 N 1.04 0.77 -0.26 1.25 0.00 -0.81 -0.95 119.26 120.29 2hxj h ALA 69 Ca 0.20 -0.50 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 2hxj h ALA 69 Cb 0.48 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2hxj h ALA 69 CO 0.02 0.68 0.02 -0.91 0.00 0.00 0.00 179.25 179.06 2hxj h ASN 70 N 0.39 0.44 -0.48 0.00 2.35 -0.28 -2.66 115.58 115.35 2hxj h ASN 70 Ca 0.01 -0.29 0.07 0.00 -0.55 0.00 0.00 56.30 55.54 2hxj h ASN 70 Cb 1.04 -0.12 -0.06 0.00 0.05 0.00 0.00 38.32 39.24 2hxj h ASN 70 CO 0.10 0.62 0.15 -0.74 -1.65 0.00 0.00 177.43 175.91 2hxj h HIS 71 N 0.25 0.27 0.00 1.19 2.76 -0.41 -2.77 115.15 116.44 2hxj h HIS 71 Ca 0.08 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.27 2hxj h HIS 71 Cb 0.38 -0.05 0.00 0.00 1.55 0.00 0.00 27.41 29.30 2hxj h HIS 71 CO 0.03 0.07 0.00 0.00 -1.30 0.00 0.00 177.93 176.73 2hxj n ARG 73 N -2.65 0.09 -2.22 0.00 0.63 -1.01 -4.38 116.66 107.13 2hxj n ARG 73 Ca 0.01 0.03 -0.40 0.00 -0.92 0.00 0.00 57.85 56.57 2hxj n ARG 73 Cb 0.25 -1.57 -0.03 0.00 0.45 0.00 0.00 32.46 31.57 2hxj n ARG 73 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2hxj s ARG 74 N -3.05 4.41 0.28 -0.14 0.52 -0.94 -4.85 118.95 115.17 2hxj s ARG 74 Ca 0.10 2.09 0.01 0.00 -0.52 0.00 0.00 55.73 57.41 2hxj s ARG 74 Cb 0.16 -3.08 0.64 0.00 0.52 0.00 0.00 34.95 33.20 2hxj s ARG 74 CO 0.67 -0.09 1.69 -1.35 0.02 0.00 0.00 175.30 176.23 2hxj h PRO 75 N 3.45 0.33 -0.78 3.54 0.11 -1.90 -0.68 132.00 136.06 2hxj h PRO 75 Ca -0.48 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.63 2hxj h PRO 75 Cb 1.22 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 32.22 2hxj h PRO 75 CO 0.66 0.22 0.52 0.00 -0.21 0.00 0.00 178.00 179.18 2hxj h ARG 76 N 0.34 1.00 -0.19 1.05 3.08 -1.93 -0.02 114.38 117.70 2hxj h ARG 76 Ca 0.51 -0.06 -0.13 0.00 0.07 0.00 0.00 59.98 60.38 2hxj h ARG 76 Cb 0.96 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.78 2hxj h ARG 76 CO -0.54 0.66 -0.38 -0.92 -1.07 0.00 0.00 179.97 177.72 2hxj h TYR 77 N 1.03 0.75 -0.62 3.04 3.20 -1.44 -1.82 116.97 121.10 2hxj h TYR 77 Ca 0.30 -0.27 -0.02 0.00 3.14 0.00 0.00 58.73 61.87 2hxj h TYR 77 Cb -0.06 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.04 2hxj h TYR 77 CO -0.00 1.02 0.29 -0.07 -1.64 0.00 0.00 178.16 177.76 2hxj h LEU 78 N 0.26 0.79 -1.08 2.82 -0.00 -0.82 -0.60 115.31 116.68 2hxj h LEU 78 Ca 0.01 -0.08 -0.08 0.00 -0.00 0.00 0.00 57.88 57.72 2hxj h LEU 78 Cb 0.97 -0.20 -0.01 0.00 -0.00 0.00 0.00 40.66 41.42 2hxj h LEU 78 CO 0.08 0.68 -0.23 0.11 -0.00 0.00 0.00 178.44 179.09 2hxj h LYS 79 N 0.88 0.38 -0.49 1.13 1.57 -0.77 -1.11 116.57 118.15 2hxj h LYS 79 Ca 0.22 -0.13 -0.10 0.00 -1.87 0.00 0.00 60.65 58.77 2hxj h LYS 79 Cb 0.10 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 2hxj h LYS 79 CO -0.03 0.59 -0.09 0.00 -0.57 0.00 0.00 179.45 179.35 2hxj h ALA 80 N 1.42 0.67 -0.24 3.86 0.00 -0.36 -1.48 119.26 123.13 2hxj h ALA 80 Ca 0.06 -0.33 -0.11 0.00 0.00 0.00 0.00 54.91 54.53 2hxj h ALA 80 Cb 0.59 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2hxj h ALA 80 CO 0.04 0.56 -0.31 -0.07 0.00 0.00 0.00 179.25 179.47 2hxj h LEU 81 N 0.78 0.51 -0.91 0.00 3.38 -0.93 -2.32 115.31 115.82 2hxj h LEU 81 Ca 0.13 -0.19 -0.11 0.00 0.09 0.00 0.00 57.88 57.79 2hxj h LEU 81 Cb 0.64 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 2hxj h LEU 81 CO 0.04 0.80 -0.53 0.00 0.09 0.00 0.00 178.44 178.84 2hxj h ALA 82 N 1.24 1.08 -0.35 1.53 0.00 -0.42 -2.75 119.26 119.59 2hxj h ALA 82 Ca 0.05 -0.48 -0.14 0.00 0.00 0.00 0.00 54.91 54.35 2hxj h ALA 82 Cb 0.75 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2hxj h ALA 82 CO 0.06 0.66 -0.31 -0.09 0.00 0.00 0.00 179.25 179.57 2hxj h ARG 83 N 0.00 0.83 0.00 0.00 2.43 -0.91 -3.47 114.38 113.26 2hxj h ARG 83 Ca -0.01 -0.42 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 2hxj h ARG 83 Cb 0.96 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.52 2hxj h ARG 83 CO 0.07 1.06 0.00 0.41 -1.51 0.00 0.00 179.97 180.00 2hxj n GLY 84 N 0.11 -1.22 5.48 2.80 0.00 -0.91 -5.08 105.19 106.38 2hxj n GLY 84 Ca -0.03 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.44 2hxj n GLY 84 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hxj n GLY 85 N 0.00 -0.60 3.77 -0.02 0.00 -1.26 -4.88 105.19 102.20 2hxj n GLY 85 Ca 0.00 -1.31 -0.33 0.00 0.00 0.00 0.00 46.02 44.37 2hxj n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hxj s LYS 86 N 0.00 3.00 0.27 1.61 -0.14 -1.26 -0.60 119.74 122.63 2hxj s LYS 86 Ca 0.00 1.43 0.07 0.00 -1.36 0.00 0.00 55.97 56.10 2hxj s LYS 86 Cb 0.00 -1.97 -0.03 0.00 -1.68 0.00 0.00 37.83 34.14 2hxj s LYS 86 CO 0.00 -1.09 0.27 1.03 -0.76 0.00 0.00 175.35 174.79 2hxj s ARG 87 N -3.88 3.00 0.08 1.68 0.52 0.41 -4.48 118.95 116.28 2hxj s ARG 87 Ca 0.68 -1.04 0.05 0.00 -0.52 0.00 0.00 55.73 54.90 2hxj s ARG 87 Cb -0.21 -2.63 -0.03 0.00 0.52 0.00 0.00 34.95 32.60 2hxj s ARG 87 CO 0.37 0.32 -0.13 -0.06 0.02 0.00 0.00 175.30 175.83 2hxj s PHE 88 N -2.14 1.16 1.01 -0.53 0.08 0.04 -0.96 117.98 116.64 2hxj s PHE 88 Ca 0.36 -0.52 -0.14 0.00 0.12 0.00 0.00 56.93 56.74 2hxj s PHE 88 Cb -0.08 -0.64 0.19 0.00 -0.57 0.00 0.00 43.02 41.92 2hxj s PHE 88 CO 0.26 0.05 1.14 -0.51 -0.10 0.00 0.00 175.22 176.06 2hxj s ASP 89 N -1.98 2.61 0.48 1.36 1.01 -0.10 -1.10 116.67 118.94 2hxj s ASP 89 Ca 0.00 0.86 0.27 0.00 0.71 0.00 0.00 52.55 54.40 2hxj s ASP 89 Cb -0.08 -1.33 1.04 0.00 1.01 0.00 0.00 42.92 43.57 2hxj s ASP 89 CO 0.02 -3.10 1.87 -0.07 0.21 0.00 0.00 175.17 174.10 2hxj h LEU 90 N -1.88 0.00 -1.05 1.23 3.38 -1.98 -1.92 115.31 113.10 2hxj h LEU 90 Ca -0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.47 2hxj h LEU 90 Cb 1.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.06 2hxj h LEU 90 CO 0.52 0.14 0.00 0.59 0.09 0.00 0.00 178.44 179.79 2hxj n ASN 91 N -3.29 1.56 -2.27 -0.43 5.03 -1.26 -4.77 115.26 109.83 2hxj n ASN 91 Ca 0.00 -1.79 -0.17 0.00 0.87 0.00 0.00 54.58 53.50 2hxj n ASN 91 Cb 0.39 -0.14 0.03 0.00 -1.02 0.00 0.00 39.78 39.04 2hxj n ASN 91 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 2hxj n ASN 92 N 0.28 -4.94 -4.65 6.41 5.15 -0.72 -5.01 115.26 111.78 2hxj n ASN 92 Ca 0.14 -0.21 -0.28 0.00 -0.60 0.00 0.00 54.58 53.63 2hxj n ASN 92 Cb 0.29 -3.80 -0.08 0.00 -0.53 0.00 0.00 39.78 35.66 2hxj n ASN 92 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2hxj s ARG 93 N -5.38 2.35 0.39 1.20 0.52 -1.26 -4.86 118.95 111.92 2hxj s ARG 93 Ca 0.22 -1.04 -0.27 0.00 -0.52 0.00 0.00 55.73 54.12 2hxj s ARG 93 Cb -0.10 -2.37 -0.11 0.00 0.52 0.00 0.00 34.95 32.89 2hxj s ARG 93 CO 0.27 0.48 1.42 1.19 0.02 0.00 0.00 175.30 178.68 2hxj n PHE 94 N 0.20 2.72 -3.02 -0.53 3.72 -1.26 -0.93 117.46 118.36 2hxj n PHE 94 Ca -0.11 0.47 0.00 0.00 -0.05 0.00 0.00 57.45 57.76 2hxj n PHE 94 Cb 0.54 -2.48 -0.00 0.00 -0.94 0.00 0.00 39.48 36.60 2hxj n PHE 94 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 2hxj s LYS 95 N -2.16 0.68 0.95 -1.08 2.20 -0.13 -4.74 119.74 115.46 2hxj s LYS 95 Ca 0.56 -0.32 0.00 0.00 -0.36 0.00 0.00 55.97 55.85 2hxj s LYS 95 Cb -0.49 0.06 0.00 0.00 -1.51 0.00 0.00 37.83 35.89 2hxj s LYS 95 CO 0.62 -0.95 0.00 0.41 -0.36 0.00 0.00 175.35 175.06 2hxj n GLY 96 N 3.97 -1.87 3.47 5.54 0.00 -1.26 -4.24 105.19 110.81 2hxj n GLY 96 Ca 0.11 -1.58 -0.10 0.00 0.00 0.00 0.00 46.02 44.45 2hxj n GLY 96 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2hxj s GLU 97 N 0.00 1.31 -0.40 1.61 2.12 -1.26 -0.45 118.70 121.64 2hxj s GLU 97 Ca 0.00 -0.79 -0.25 0.00 0.36 0.00 0.00 54.97 54.30 2hxj s GLU 97 Cb 0.00 0.52 0.02 0.00 0.26 0.00 0.00 34.13 34.93 2hxj s GLU 97 CO 0.00 -0.55 0.88 0.08 -0.54 0.00 0.00 175.26 175.12 2hxj s VAL 98 N -3.84 4.60 0.76 3.70 1.01 0.23 -4.71 120.40 122.15 2hxj s VAL 98 Ca 0.07 0.94 -0.12 0.00 0.00 0.00 0.00 61.98 62.88 2hxj s VAL 98 Cb -0.01 -4.33 0.05 0.00 0.00 0.00 0.00 36.38 32.10 2hxj s VAL 98 CO -0.06 -0.60 1.11 0.42 0.00 0.00 0.00 175.10 175.97 2hxj s THR 99 N 3.43 3.12 0.44 3.92 -4.23 -1.26 -4.49 115.64 116.58 2hxj s THR 99 Ca 0.35 0.41 0.15 0.00 -1.18 0.00 0.00 61.69 61.42 2hxj s THR 99 Cb -0.12 -2.85 0.34 0.00 1.34 0.00 0.00 72.50 71.21 2hxj s THR 99 CO 0.20 -0.44 1.96 -0.65 -0.54 0.00 0.00 174.62 175.16 2hxj h PRO 100 N -0.92 0.37 -0.15 3.99 0.11 -1.99 -1.52 132.00 131.90 2hxj h PRO 100 Ca -0.44 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.54 2hxj h PRO 100 Cb 1.24 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2hxj h PRO 100 CO 0.51 0.25 -0.30 1.49 -0.21 0.00 0.00 178.00 179.73 2hxj h GLU 101 N 0.38 0.47 -0.61 1.05 4.57 -1.99 -0.88 114.58 117.58 2hxj h GLU 101 Ca 0.31 -0.30 0.02 0.00 -1.18 0.00 0.00 59.36 58.21 2hxj h GLU 101 Cb 0.68 0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 29.27 2hxj h GLU 101 CO -0.08 0.91 0.37 0.93 -1.18 0.00 0.00 179.01 179.96 2hxj h GLU 102 N 0.08 0.72 -0.58 1.92 5.08 -1.86 -1.25 114.58 118.69 2hxj h GLU 102 Ca 0.00 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 2hxj h GLU 102 Cb 0.90 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.96 2hxj h GLU 102 CO 0.07 0.48 0.27 0.37 -1.00 0.00 0.00 179.01 179.19 2hxj h GLN 103 N 0.74 0.84 -0.07 2.33 4.15 -1.30 -1.95 115.11 119.86 2hxj h GLN 103 Ca 0.24 -0.13 -0.08 0.00 0.77 0.00 0.00 58.65 59.45 2hxj h GLN 103 Cb 0.01 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.54 2hxj h GLN 103 CO -0.10 0.70 -0.34 0.00 -1.93 0.00 0.00 178.83 177.16 2hxj h ALA 104 N 1.10 1.31 -0.23 3.38 0.00 -0.79 -1.62 119.26 122.42 2hxj h ALA 104 Ca 0.20 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 2hxj h ALA 104 Cb 0.14 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2hxj h ALA 104 CO -0.02 0.49 -0.13 0.82 0.00 0.00 0.00 179.25 180.41 2hxj h ILE 105 N 0.12 1.31 -0.30 0.00 2.04 -0.57 -2.75 117.51 117.36 2hxj h ILE 105 Ca 0.01 -1.22 -0.03 0.00 1.00 0.00 0.00 64.86 64.63 2hxj h ILE 105 Cb 0.66 1.62 -0.02 0.00 -0.74 0.00 0.00 36.82 38.34 2hxj h ILE 105 CO 0.05 0.37 0.08 0.00 0.00 0.00 0.00 178.15 178.65 2hxj h ALA 106 N 0.70 1.58 0.00 1.87 0.00 -1.10 0.12 119.26 122.42 2hxj h ALA 106 Ca 0.05 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2hxj h ALA 106 Cb 0.63 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2hxj h ALA 106 CO 0.04 0.32 0.00 1.96 0.00 0.00 0.00 179.25 181.57 2hxj h GLN 107 N 0.43 0.00 0.00 0.00 4.20 -1.18 -2.25 115.11 116.31 2hxj h GLN 107 Ca 0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.81 2hxj h GLN 107 Cb 0.16 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.94 2hxj h GLN 107 CO -0.00 0.00 -0.28 -0.91 -0.67 0.00 0.00 178.83 176.97 2hxj h ASN 108 N 0.00 0.00 -3.11 1.46 2.35 -0.66 -3.44 115.58 112.17 2hxj h ASN 108 Ca 0.00 -0.09 -0.53 0.00 -0.55 0.00 0.00 56.30 55.14 2hxj h ASN 108 Cb 0.58 0.00 0.04 0.00 0.05 0.00 0.00 38.32 38.99 2hxj h ASN 108 CO 0.00 0.04 0.77 -2.28 -1.65 0.00 0.00 177.43 174.32 2hxj s HIS 109 N -3.14 3.12 0.33 1.19 2.46 -0.85 -4.92 115.29 113.49 2hxj s HIS 109 Ca 0.08 0.91 0.10 0.00 0.47 0.00 0.00 55.06 56.63 2hxj s HIS 109 Cb 0.12 -3.79 0.89 0.00 -0.13 0.00 0.00 32.58 29.67 2hxj s HIS 109 CO 0.66 -2.73 1.75 -1.35 -2.47 0.00 0.00 174.74 170.60 2hxj h PRO 110 N 6.06 0.58 0.00 2.88 0.11 -1.90 -1.10 132.00 138.63 2hxj h PRO 110 Ca -0.44 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 2hxj h PRO 110 Cb 1.21 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 2hxj h PRO 110 CO 0.84 0.39 -0.08 0.74 -0.21 0.00 0.00 178.00 179.68 2hxj h PHE 111 N 0.60 0.00 -0.00 0.65 0.04 -1.94 0.19 116.94 116.48 2hxj h PHE 111 Ca 0.61 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.38 2hxj h PHE 111 Cb 1.17 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.32 2hxj h PHE 111 CO -0.00 0.08 -0.53 0.28 -0.60 0.00 0.00 178.31 177.54 2hxj n VAL 112 N -3.61 0.00 -1.83 -0.55 0.31 -0.45 -4.47 118.33 107.74 2hxj n VAL 112 Ca -0.02 -0.03 -0.41 0.00 -0.01 0.00 0.00 64.34 63.87 2hxj n VAL 112 Cb 0.19 0.41 -0.01 0.00 -0.91 0.00 0.00 33.84 33.53 2hxj n VAL 112 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2hxj n GLN 113 N -1.30 3.50 0.00 5.55 3.00 0.65 -4.14 117.38 124.64 2hxj n GLN 113 Ca 0.07 -2.87 0.00 0.00 -0.01 0.00 0.00 57.00 54.19 2hxj n GLN 113 Cb 0.34 -2.99 0.00 0.00 0.00 0.00 0.00 30.24 27.59 2hxj n GLN 113 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00 2hxj n GLN 114 N 4.31 0.00 0.00 -1.09 7.27 -1.26 -4.99 117.38 121.62 2hxj n GLN 114 Ca 0.57 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.64 2hxj n GLN 114 Cb 0.33 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.98 2hxj n GLN 114 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13