#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hxj h GLU 4 N 0.00 0.07 -0.31 -1.09 4.81 -2.05 -1.54 114.58 114.47 2hxj h GLU 4 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2hxj h GLU 4 Cb 0.00 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2hxj h GLU 4 CO 0.00 0.42 0.00 0.25 -0.73 0.00 0.00 179.01 178.95 2hxj n THR 5 N -4.10 0.00 -2.95 0.32 -2.24 -1.26 -3.57 114.28 100.48 2hxj n THR 5 Ca -0.02 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.40 2hxj n THR 5 Cb 0.41 -0.21 -0.01 0.00 -2.10 0.00 0.00 70.33 68.41 2hxj n THR 5 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2hxj n ALA 6 N -0.28 5.16 -2.17 6.98 0.00 -0.58 -3.24 120.51 126.38 2hxj n ALA 6 Ca 0.00 -4.72 -0.02 0.00 0.00 0.00 0.00 53.44 48.70 2hxj n ALA 6 Cb 0.08 -1.68 -0.02 0.00 0.00 0.00 0.00 19.45 17.83 2hxj n ALA 6 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2hxj n LEU 7 N 0.45 -0.10 0.25 0.00 7.94 -1.23 -4.98 117.00 119.33 2hxj n LEU 7 Ca 0.34 -1.77 0.08 0.00 -1.11 0.00 0.00 56.01 53.55 2hxj n LEU 7 Cb 0.34 0.00 0.63 0.00 0.53 0.00 0.00 43.42 44.92 2hxj n LEU 7 CO 0.52 0.97 1.07 1.23 -1.11 0.00 0.00 177.39 180.08 2hxj h GLY 8 N 0.34 0.01 0.94 -3.96 0.00 -1.85 -2.21 103.07 96.34 2hxj h GLY 8 Ca -0.33 -0.01 -0.08 0.00 0.00 0.00 0.00 47.33 46.91 2hxj h GLY 8 CO -0.09 0.01 -0.11 0.00 0.00 0.00 0.00 176.54 176.34 2hxj h ALA 9 N 1.99 0.48 -0.56 3.60 0.00 -1.91 -1.61 119.26 121.26 2hxj h ALA 9 Ca 0.00 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 2hxj h ALA 9 Cb -0.00 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 2hxj h ALA 9 CO -0.00 0.35 0.23 0.00 0.00 0.00 0.00 179.25 179.83 2hxj h ALA 10 N 0.80 1.35 -0.52 0.00 0.00 -1.82 -2.77 119.26 116.31 2hxj h ALA 10 Ca 0.08 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2hxj h ALA 10 Cb 0.63 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2hxj h ALA 10 CO 0.04 0.49 0.00 1.47 0.00 0.00 0.00 179.25 181.25 2hxj n LEU 11 N -4.34 3.40 -0.13 0.00 -0.00 -1.05 -4.39 117.00 110.50 2hxj n LEU 11 Ca 0.05 -1.95 -0.10 0.00 -0.00 0.00 0.00 56.01 54.00 2hxj n LEU 11 Cb 0.16 -0.34 -0.02 0.00 -0.00 0.00 0.00 43.42 43.22 2hxj n LEU 11 CO 0.38 0.84 0.84 0.50 -0.00 0.00 0.00 177.39 179.95 2hxj h LYS 12 N 3.16 0.61 -0.63 1.47 3.64 -0.98 -2.65 116.57 121.19 2hxj h LYS 12 Ca 0.00 -0.16 0.06 0.00 -1.27 0.00 0.00 60.65 59.29 2hxj h LYS 12 Cb 0.85 -0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 32.54 2hxj h LYS 12 CO 0.00 0.66 0.32 1.03 -2.27 0.00 0.00 179.45 179.20 2hxj h SER 13 N 0.46 0.46 -0.73 4.20 0.87 -1.77 -2.06 113.55 114.98 2hxj h SER 13 Ca 0.11 0.04 -0.07 0.00 -1.23 0.00 0.00 61.79 60.65 2hxj h SER 13 Cb 0.34 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.22 2hxj h SER 13 CO 0.00 0.29 0.20 0.00 -0.53 0.00 0.00 176.83 176.80 2hxj h ALA 14 N 1.35 0.96 -0.20 6.23 0.00 -1.75 -2.65 119.26 123.20 2hxj h ALA 14 Ca 0.29 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 2hxj h ALA 14 Cb 0.22 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2hxj h ALA 14 CO -0.20 0.67 -0.29 0.28 0.00 0.00 0.00 179.25 179.71 2hxj h VAL 15 N 1.10 1.27 0.00 0.00 2.07 -1.12 -2.87 116.25 116.70 2hxj h VAL 15 Ca 0.23 -1.29 0.00 0.00 0.82 0.00 0.00 66.70 66.46 2hxj h VAL 15 Cb 0.35 1.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 2hxj h VAL 15 CO -0.00 0.40 0.00 0.00 0.02 0.00 0.00 177.57 177.99 2hxj n GLN 16 N -4.11 0.63 -0.63 1.57 6.02 -0.81 -4.84 117.38 115.21 2hxj n GLN 16 Ca -0.01 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.89 2hxj n GLN 16 Cb 0.41 -1.20 0.03 0.00 1.02 0.00 0.00 30.24 30.51 2hxj n GLN 16 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 2hxj n THR 17 N -0.70 2.23 -3.98 5.09 -1.04 -1.09 -5.05 114.28 109.74 2hxj n THR 17 Ca 0.06 -1.03 -0.28 0.00 -2.04 0.00 0.00 64.05 60.77 2hxj n THR 17 Cb 0.03 -1.21 -0.04 0.00 -1.82 0.00 0.00 70.33 67.28 2hxj n THR 17 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 2hxj s SER 19 N 0.65 6.07 0.46 8.00 1.04 -1.26 -5.17 113.70 123.49 2hxj s SER 19 Ca 0.19 0.11 0.31 0.00 0.48 0.00 0.00 55.95 57.04 2hxj s SER 19 Cb 0.15 -1.77 1.40 0.00 0.10 0.00 0.00 66.02 65.90 2hxj s SER 19 CO 0.01 0.10 1.93 0.11 0.98 0.00 0.00 173.24 176.37 2hxj h LYS 20 N 2.55 0.00 -0.17 4.02 1.57 -1.98 -1.78 116.57 120.79 2hxj h LYS 20 Ca -0.47 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.11 2hxj h LYS 20 Cb 1.18 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.50 2hxj h LYS 20 CO 0.69 0.00 -0.66 -0.22 -0.57 0.00 0.00 179.45 178.69 2hxj h LYS 21 N 0.00 0.75 0.00 3.15 3.64 -2.04 -2.39 116.57 119.69 2hxj h LYS 21 Ca 0.00 -0.58 -0.09 0.00 -1.27 0.00 0.00 60.65 58.72 2hxj h LYS 21 Cb 0.34 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 2hxj h LYS 21 CO 0.00 1.19 -0.90 1.57 -2.27 0.00 0.00 179.45 179.05 2hxj h LYS 22 N 0.47 0.00 -0.09 1.90 2.10 -1.90 -3.03 116.57 116.01 2hxj h LYS 22 Ca -0.03 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.49 2hxj h LYS 22 Cb 1.29 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.60 2hxj h LYS 22 CO 0.14 0.23 -0.52 0.37 -2.00 0.00 0.00 179.45 177.67 2hxj h GLN 23 N 0.00 0.26 -0.24 0.07 4.15 -1.28 -2.76 115.11 115.30 2hxj h GLN 23 Ca -0.06 -0.15 -0.18 0.00 0.77 0.00 0.00 58.65 59.03 2hxj h GLN 23 Cb 1.31 0.01 -0.00 0.00 0.21 0.00 0.00 27.48 29.01 2hxj h GLN 23 CO 0.03 0.72 -0.58 1.15 -1.93 0.00 0.00 178.83 178.22 2hxj h THR 24 N 0.20 1.29 0.00 2.39 2.02 -1.52 -2.04 112.91 115.26 2hxj h THR 24 Ca 0.01 -1.79 0.00 0.00 0.77 0.00 0.00 66.41 65.40 2hxj h THR 24 Cb 0.99 1.71 0.00 0.00 -1.74 0.00 0.00 68.15 69.11 2hxj h THR 24 CO 0.08 0.57 0.00 -0.62 0.37 0.00 0.00 175.52 175.92 2hxj n GLU 25 N -3.98 0.53 0.00 6.66 1.02 -1.04 -1.75 120.64 122.07 2hxj n GLU 25 Ca -0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 2hxj n GLU 25 Cb 0.64 -1.24 0.00 0.00 -0.02 0.00 0.00 31.44 30.82 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 0.88 0.00 0.06 -3.67 5.41 -0.77 -1.50 119.36 119.77 2hxj n ILE 27 Ca 0.00 0.00 -0.11 0.00 1.00 0.00 0.00 62.75 63.64 2hxj n ILE 27 Cb 0.26 0.00 -0.05 0.00 -0.71 0.00 0.00 39.64 39.14 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 -0.12 -0.72 -1.39 0.00 -1.62 -0.07 119.26 115.34 2hxj h ALA 28 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.94 2hxj h ALA 28 Cb 0.00 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 2hxj h ALA 28 CO 0.00 -0.60 0.48 -0.44 0.00 0.00 0.00 179.25 178.69 2hxj h ASP 29 N -0.18 0.76 0.00 0.00 5.19 -1.53 -0.01 116.42 120.66 2hxj h ASP 29 Ca 0.03 -0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 56.43 2hxj h ASP 29 Cb 0.21 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 39.54 2hxj h ASP 29 CO -0.08 0.53 -0.00 -0.74 -3.12 0.00 0.00 179.24 175.82 2hxj h HIS 30 N 0.88 -0.00 -0.41 4.55 2.76 -1.60 -2.11 115.15 119.22 2hxj h HIS 30 Ca 0.29 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.45 2hxj h HIS 30 Cb 0.05 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 28.99 2hxj h HIS 30 CO -0.00 0.43 0.22 0.82 -1.30 0.00 0.00 177.93 178.10 2hxj h ILE 31 N -0.43 1.16 0.00 6.26 2.04 -0.58 0.80 117.51 126.75 2hxj h ILE 31 Ca -0.00 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.45 2hxj h ILE 31 Cb 0.43 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 37.19 2hxj h ILE 31 CO 0.00 0.16 0.00 1.88 0.00 0.00 0.00 178.15 180.19 2hxj h TYR 32 N 0.53 0.00 0.00 1.37 -1.99 -1.09 -0.54 116.97 115.24 2hxj h TYR 32 Ca 0.14 0.00 -0.21 0.00 2.00 0.00 0.00 58.73 60.67 2hxj h TYR 32 Cb 0.06 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 38.76 2hxj h TYR 32 CO -0.02 0.00 -1.95 0.41 -0.00 0.00 0.00 178.16 176.59 2hxj n GLY 33 N 1.00 -1.06 0.10 3.88 0.00 -0.79 -4.51 105.19 103.80 2hxj n GLY 33 Ca 0.04 -0.31 -0.12 0.00 0.00 0.00 0.00 46.02 45.64 2hxj n GLY 33 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2hxj n LYS 34 N -2.68 0.75 -3.57 1.61 3.00 0.24 -4.94 118.16 112.57 2hxj n LYS 34 Ca -0.18 0.03 -0.41 0.00 -0.00 0.00 0.00 58.31 57.75 2hxj n LYS 34 Cb 0.90 -1.50 -0.10 0.00 0.00 0.00 0.00 35.03 34.33 2hxj n LYS 34 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 2hxj s TYR 35 N -2.48 3.29 0.49 5.64 1.51 -0.22 -4.95 117.35 120.64 2hxj s TYR 35 Ca -0.16 -1.27 0.25 0.00 -1.01 0.00 0.00 57.07 54.88 2hxj s TYR 35 Cb 0.07 -2.82 1.31 0.00 -0.11 0.00 0.00 41.96 40.41 2hxj s TYR 35 CO 0.75 -0.78 1.90 -0.44 -1.11 0.00 0.00 175.55 175.87 2hxj h ASP 36 N 8.46 0.16 0.51 2.29 3.45 -1.88 -0.69 116.42 128.72 2hxj h ASP 36 Ca -0.24 0.02 -0.05 0.00 0.43 0.00 0.00 57.03 57.19 2hxj h ASP 36 Cb 1.09 -0.01 -0.01 0.00 -0.56 0.00 0.00 39.33 39.84 2hxj h ASP 36 CO 0.74 0.07 -0.22 -0.37 -1.57 0.00 0.00 179.24 177.89 2hxj h VAL 37 N 0.16 0.77 0.12 -1.35 -1.51 -1.88 0.13 116.25 112.69 2hxj h VAL 37 Ca 0.41 -0.90 -0.34 0.00 -1.23 0.00 0.00 66.70 64.63 2hxj h VAL 37 Cb 1.35 1.55 -0.01 0.00 -2.13 0.00 0.00 31.29 32.05 2hxj h VAL 37 CO -0.07 0.22 -1.81 -0.26 -1.23 0.00 0.00 177.57 174.42 2hxj h PHE 38 N 0.00 0.46 -0.74 5.19 -1.00 -1.46 -1.76 116.94 117.63 2hxj h PHE 38 Ca -0.00 -0.33 -0.01 0.00 2.81 0.00 0.00 57.97 60.43 2hxj h PHE 38 Cb 0.54 -0.02 -0.04 0.00 3.61 0.00 0.00 35.95 40.04 2hxj h PHE 38 CO 0.00 1.71 0.40 -0.22 -1.61 0.00 0.00 178.31 178.60 2hxj h LYS 39 N -0.10 1.02 -0.22 1.51 3.64 -1.08 -1.91 116.57 119.43 2hxj h LYS 39 Ca -0.39 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 2hxj h LYS 39 Cb 1.92 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 33.54 2hxj h LYS 39 CO 0.06 0.75 0.00 0.54 -2.27 0.00 0.00 179.45 178.53 2hxj n ARG 40 N -4.36 2.13 -3.82 1.90 3.00 0.01 -4.98 116.66 110.54 2hxj n ARG 40 Ca 0.07 -1.70 -0.27 0.00 -0.01 0.00 0.00 57.85 55.95 2hxj n ARG 40 Cb 0.10 -1.46 0.01 0.00 0.00 0.00 0.00 32.46 31.11 2hxj n ARG 40 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 2hxj n PHE 41 N 0.94 -1.78 -3.14 -1.55 3.01 -0.72 -4.99 117.46 109.24 2hxj n PHE 41 Ca 0.17 0.66 -0.31 0.00 1.01 0.00 0.00 57.45 58.98 2hxj n PHE 41 Cb 0.49 -3.75 -0.05 0.00 -0.01 0.00 0.00 39.48 36.16 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 -6.26 3.84 0.32 -1.08 1.02 -0.67 -4.73 119.74 112.19 2hxj s LYS 42 Ca 0.16 0.44 -0.29 0.00 0.02 0.00 0.00 55.97 56.30 2hxj s LYS 42 Cb -0.06 -2.49 -0.11 0.00 -0.52 0.00 0.00 37.83 34.65 2hxj s LYS 42 CO 0.87 0.14 1.57 -2.30 -0.92 0.00 0.00 175.35 174.71 2hxj n PRO 43 N -0.67 2.72 -3.78 -1.68 -0.02 -1.26 -4.87 135.00 125.44 2hxj n PRO 43 Ca 0.02 0.96 -0.36 0.00 -2.02 0.00 0.00 63.50 62.10 2hxj n PRO 43 Cb 0.53 -2.74 -0.06 0.00 -0.02 0.00 0.00 33.50 31.22 2hxj n PRO 43 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2hxj s LEU 44 N -1.02 4.40 0.26 2.45 1.43 -1.26 -0.66 118.68 124.27 2hxj s LEU 44 Ca 0.60 0.57 -0.29 0.00 -1.03 0.00 0.00 54.13 53.98 2hxj s LEU 44 Cb -0.48 -2.40 -0.14 0.00 0.03 0.00 0.00 46.19 43.20 2hxj s LEU 44 CO 0.54 0.33 1.11 0.00 0.23 0.00 0.00 176.35 178.56 2hxj n ALA 45 N 1.58 -0.05 -1.74 4.21 0.00 0.45 -4.64 120.51 120.32 2hxj n ALA 45 Ca -0.15 0.41 -0.38 0.00 0.00 0.00 0.00 53.44 53.31 2hxj n ALA 45 Cb 0.54 -2.07 0.05 0.00 0.00 0.00 0.00 19.45 17.96 2hxj n ALA 45 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2hxj n LEU 46 N 1.46 5.54 -0.46 0.00 4.77 -1.26 -2.05 117.00 124.99 2hxj n LEU 46 Ca 0.11 0.96 -0.06 0.00 -0.03 0.00 0.00 56.01 56.98 2hxj n LEU 46 Cb 0.31 -1.57 -0.03 0.00 -2.33 0.00 0.00 43.42 39.80 2hxj n LEU 46 CO 0.61 -0.66 -0.06 0.61 -1.33 0.00 0.00 177.39 176.56 2hxj n GLY 47 N 0.79 0.84 0.26 -0.72 0.00 -1.26 -4.91 105.19 100.19 2hxj n GLY 47 Ca 0.11 -0.78 0.12 0.00 0.00 0.00 0.00 46.02 45.47 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 0.61 -0.17 -0.61 6.09 -1.76 -2.75 117.51 118.92 2hxj h ILE 48 Ca -0.12 -0.49 0.04 0.00 -1.37 0.00 0.00 64.86 62.91 2hxj h ILE 48 Cb 0.39 1.31 -0.04 0.00 0.47 0.00 0.00 36.82 38.96 2hxj h ILE 48 CO 0.18 0.11 -0.07 -2.24 -3.07 0.00 0.00 178.15 173.07 2hxj h ASP 49 N 0.00 -0.23 0.18 2.19 -0.00 -1.91 -0.39 116.42 116.26 2hxj h ASP 49 Ca -0.00 0.06 -0.07 0.00 -0.00 0.00 0.00 57.03 57.02 2hxj h ASP 49 Cb 0.30 0.13 -0.01 0.00 -0.00 0.00 0.00 39.33 39.76 2hxj h ASP 49 CO 0.01 -0.09 -0.27 1.56 -0.00 0.00 0.00 179.24 180.45 2hxj h GLN 50 N -0.04 0.16 -0.36 4.15 1.08 -1.90 -1.72 115.11 116.47 2hxj h GLN 50 Ca 0.09 -0.05 -0.15 0.00 -1.45 0.00 0.00 58.65 57.08 2hxj h GLN 50 Cb 0.17 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.58 2hxj h GLN 50 CO -0.20 0.42 -0.38 -0.44 -0.95 0.00 0.00 178.83 177.28 2hxj h ASP 51 N 0.14 0.93 -0.17 1.46 5.19 -1.29 -2.45 116.42 120.23 2hxj h ASP 51 Ca 0.02 -0.42 -0.16 0.00 -0.62 0.00 0.00 57.03 55.85 2hxj h ASP 51 Cb 0.56 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 39.80 2hxj h ASP 51 CO 0.04 1.20 -0.47 0.25 -3.12 0.00 0.00 179.24 177.14 2hxj h LEU 52 N 0.72 0.80 -0.33 1.55 5.85 -0.55 -1.83 115.31 121.52 2hxj h LEU 52 Ca 0.06 -0.40 -0.05 0.00 0.84 0.00 0.00 57.88 58.34 2hxj h LEU 52 Cb 0.96 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.75 2hxj h LEU 52 CO 0.09 1.14 0.01 0.40 -0.34 0.00 0.00 178.44 179.75 2hxj h ILE 53 N 0.59 1.25 -0.55 4.05 2.04 -1.29 -0.03 117.51 123.57 2hxj h ILE 53 Ca 0.03 -0.93 -0.04 0.00 1.00 0.00 0.00 64.86 64.92 2hxj h ILE 53 Cb 1.03 1.22 -0.02 0.00 -0.74 0.00 0.00 36.82 38.31 2hxj h ILE 53 CO 0.10 0.30 0.18 0.00 0.00 0.00 0.00 178.15 178.73 2hxj h ALA 54 N 0.86 0.72 0.00 1.87 0.00 -1.39 -2.89 119.26 118.43 2hxj h ALA 54 Ca 0.09 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 2hxj h ALA 54 Cb 0.43 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2hxj h ALA 54 CO 0.01 0.38 -0.30 0.00 0.00 0.00 0.00 179.25 179.34 2hxj h ALA 55 N 1.04 1.11 -2.06 0.00 0.00 -0.71 -3.34 119.26 115.30 2hxj h ALA 55 Ca 0.18 -0.28 -0.65 0.00 0.00 0.00 0.00 54.91 54.16 2hxj h ALA 55 Cb 0.27 -0.05 -0.38 0.00 0.00 0.00 0.00 17.79 17.63 2hxj h ALA 55 CO -0.01 0.38 -0.21 1.28 0.00 0.00 0.00 179.25 180.69 2hxj n LEU 56 N -3.61 4.91 0.10 0.00 4.77 -0.08 -4.89 117.00 118.19 2hxj n LEU 56 Ca -0.01 -5.51 0.10 0.00 -0.03 0.00 0.00 56.01 50.56 2hxj n LEU 56 Cb 0.43 -0.77 0.44 0.00 -2.33 0.00 0.00 43.42 41.19 2hxj n LEU 56 CO 0.35 2.14 0.80 -0.81 -1.33 0.00 0.00 177.39 178.55 2hxj n PRO 57 N 0.31 0.13 0.07 3.23 -0.04 -1.25 -2.22 135.00 135.24 2hxj n PRO 57 Ca 0.32 0.43 0.12 0.00 -0.04 0.00 0.00 63.50 64.34 2hxj n PRO 57 Cb 0.37 -1.79 0.47 0.00 -0.04 0.00 0.00 33.50 32.51 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 -2.05 0.15 -4.32 0.54 0.00 -1.26 -4.60 117.38 105.84 2hxj n GLN 58 Ca 0.02 0.20 -0.24 0.00 0.00 0.00 0.00 57.00 56.98 2hxj n GLN 58 Cb 0.17 -1.70 -0.08 0.00 0.00 0.00 0.00 30.24 28.63 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 -3.10 2.62 0.01 2.61 2.02 -0.94 -4.46 117.35 116.11 2hxj s TYR 59 Ca 0.10 -0.24 -0.30 0.00 -0.37 0.00 0.00 57.07 56.26 2hxj s TYR 59 Cb 0.13 -1.19 -0.05 0.00 -0.40 0.00 0.00 41.96 40.46 2hxj s TYR 59 CO 0.50 0.61 1.22 0.34 -1.57 0.00 0.00 175.55 176.65 2hxj s ASP 60 N -3.42 7.04 0.21 2.29 2.15 -1.26 -4.94 116.67 118.73 2hxj s ASP 60 Ca 0.29 1.95 -0.09 0.00 0.43 0.00 0.00 52.55 55.14 2hxj s ASP 60 Cb -0.07 -2.57 0.30 0.00 -0.30 0.00 0.00 42.92 40.29 2hxj s ASP 60 CO 0.18 -0.54 1.73 0.00 -0.17 0.00 0.00 175.17 176.36 2hxj h ALA 61 N 7.17 0.78 0.00 3.66 0.00 -1.96 -0.51 119.26 128.40 2hxj h ALA 61 Ca -0.38 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 2hxj h ALA 61 Cb 1.19 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 2hxj h ALA 61 CO 0.85 -0.24 -0.05 0.00 0.00 0.00 0.00 179.25 179.80 2hxj h ALA 62 N 1.46 1.88 0.00 0.00 0.00 -1.99 0.74 119.26 121.35 2hxj h ALA 62 Ca 0.32 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.08 2hxj h ALA 62 Cb 0.44 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2hxj h ALA 62 CO -0.35 0.07 -1.01 -0.07 0.00 0.00 0.00 179.25 177.88 2hxj h LEU 63 N 0.00 0.00 -0.17 0.00 3.38 -1.60 -2.51 115.31 114.41 2hxj h LEU 63 Ca -0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 2hxj h LEU 63 Cb 0.10 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 2hxj h LEU 63 CO 0.01 0.38 -0.23 0.40 0.09 0.00 0.00 178.44 179.09 2hxj h ILE 64 N 0.00 1.34 -0.88 1.22 1.08 0.16 -2.56 117.51 117.88 2hxj h ILE 64 Ca -0.08 -1.43 0.02 0.00 -0.39 0.00 0.00 64.86 62.99 2hxj h ILE 64 Cb 1.35 1.87 -0.05 0.00 -3.07 0.00 0.00 36.82 36.92 2hxj h ILE 64 CO 0.04 0.43 0.58 0.00 -0.69 0.00 0.00 178.15 178.50 2hxj h ALA 65 N 0.61 1.14 0.01 1.87 0.00 -0.95 -1.35 119.26 120.58 2hxj h ALA 65 Ca 0.02 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2hxj h ALA 65 Cb 0.79 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2hxj h ALA 65 CO 0.05 0.47 -0.00 -0.09 0.00 0.00 0.00 179.25 179.68 2hxj h ARG 66 N 1.15 -0.01 -1.00 0.00 2.43 -1.40 -1.12 114.38 114.42 2hxj h ARG 66 Ca 0.34 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.55 2hxj h ARG 66 Cb -0.07 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.42 2hxj h ARG 66 CO -0.09 0.16 0.66 0.28 -1.51 0.00 0.00 179.97 179.46 2hxj h VAL 67 N -0.18 1.15 -0.06 0.20 2.07 -1.01 -0.81 116.25 117.60 2hxj h VAL 67 Ca -0.00 -0.43 -0.00 0.00 0.82 0.00 0.00 66.70 67.09 2hxj h VAL 67 Cb 0.18 -0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 29.74 2hxj h VAL 67 CO 0.00 0.23 0.03 0.25 0.02 0.00 0.00 177.57 178.10 2hxj h LEU 68 N 1.24 0.08 -2.12 2.57 5.85 -1.05 -1.54 115.31 120.33 2hxj h LEU 68 Ca 0.41 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 59.03 2hxj h LEU 68 Cb 0.05 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.06 2hxj h LEU 68 CO -0.14 0.14 -0.04 0.00 -0.34 0.00 0.00 178.44 178.06 2hxj h ALA 69 N 0.93 1.68 0.00 1.25 0.00 -0.62 -0.82 119.26 121.69 2hxj h ALA 69 Ca 0.02 -0.04 -0.20 0.00 0.00 0.00 0.00 54.91 54.69 2hxj h ALA 69 Cb 0.09 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2hxj h ALA 69 CO -0.00 0.05 -1.01 -0.91 0.00 0.00 0.00 179.25 177.38 2hxj h ASN 70 N 0.00 0.00 -0.25 0.00 2.35 -0.59 -3.24 115.58 113.85 2hxj h ASN 70 Ca -0.00 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 2hxj h ASN 70 Cb 0.09 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 2hxj h ASN 70 CO 0.01 0.93 -0.05 -0.74 -1.65 0.00 0.00 177.43 175.92 2hxj h HIS 71 N 0.00 0.53 0.00 1.19 2.76 -0.19 -3.13 115.15 116.30 2hxj h HIS 71 Ca -0.04 -0.11 0.00 0.00 -2.20 0.00 0.00 60.37 58.02 2hxj h HIS 71 Cb 1.74 -0.13 0.00 0.00 1.55 0.00 0.00 27.41 30.57 2hxj h HIS 71 CO 0.00 0.68 0.00 0.00 -1.30 0.00 0.00 177.93 177.31 2hxj n ARG 73 N -1.30 2.76 -3.03 0.00 1.85 -1.18 -4.61 116.66 111.13 2hxj n ARG 73 Ca 0.07 -2.04 -0.37 0.00 -1.00 0.00 0.00 57.85 54.51 2hxj n ARG 73 Cb 0.13 -1.29 -0.06 0.00 -1.05 0.00 0.00 32.46 30.19 2hxj n ARG 73 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 2hxj s ARG 74 N -1.46 4.37 0.28 2.89 0.52 -0.98 -4.92 118.95 119.64 2hxj s ARG 74 Ca 0.19 0.99 -0.03 0.00 -0.52 0.00 0.00 55.73 56.37 2hxj s ARG 74 Cb 0.13 -2.96 0.60 0.00 0.52 0.00 0.00 34.95 33.24 2hxj s ARG 74 CO 0.08 0.42 1.59 -1.35 0.02 0.00 0.00 175.30 176.07 2hxj h PRO 75 N 3.61 0.04 -0.43 3.54 0.11 -1.94 0.29 132.00 137.21 2hxj h PRO 75 Ca -0.48 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 2hxj h PRO 75 Cb 1.20 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 2hxj h PRO 75 CO 0.65 0.02 0.20 -0.09 -0.21 0.00 0.00 178.00 178.58 2hxj h ARG 76 N 0.04 0.59 0.02 1.05 2.43 -1.93 -0.60 114.38 115.97 2hxj h ARG 76 Ca 0.52 -0.07 -0.19 0.00 -0.81 0.00 0.00 59.98 59.43 2hxj h ARG 76 Cb 0.99 -0.12 0.02 0.00 -0.42 0.00 0.00 29.97 30.43 2hxj h ARG 76 CO -0.86 0.47 -0.76 -0.92 -1.51 0.00 0.00 179.97 176.38 2hxj h TYR 77 N 0.60 0.74 -0.96 2.20 3.20 -0.68 -1.98 116.97 120.09 2hxj h TYR 77 Ca 0.15 -0.41 0.06 0.00 3.14 0.00 0.00 58.73 61.67 2hxj h TYR 77 Cb 0.07 -0.08 -0.06 0.00 1.54 0.00 0.00 36.73 38.20 2hxj h TYR 77 CO 0.00 1.24 0.62 -0.07 -1.64 0.00 0.00 178.16 178.32 2hxj h LEU 78 N 0.02 0.99 -0.86 2.82 -0.00 -0.99 0.54 115.31 117.84 2hxj h LEU 78 Ca -0.10 0.01 -0.11 0.00 -0.00 0.00 0.00 57.88 57.68 2hxj h LEU 78 Cb 1.47 -0.21 -0.01 0.00 -0.00 0.00 0.00 40.66 41.91 2hxj h LEU 78 CO 0.15 0.65 -0.33 0.11 -0.00 0.00 0.00 178.44 179.02 2hxj h LYS 79 N 1.14 0.45 -0.48 1.13 1.57 -1.09 -0.96 116.57 118.33 2hxj h LYS 79 Ca 0.41 -0.20 -0.11 0.00 -1.87 0.00 0.00 60.65 58.89 2hxj h LYS 79 Cb 0.13 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 2hxj h LYS 79 CO -0.16 0.73 -0.12 0.00 -0.57 0.00 0.00 179.45 179.33 2hxj h ALA 80 N 1.26 0.66 -0.60 3.86 0.00 -0.27 -0.04 119.26 124.14 2hxj h ALA 80 Ca 0.05 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.55 2hxj h ALA 80 Cb 0.77 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 2hxj h ALA 80 CO 0.06 0.56 0.10 -0.07 0.00 0.00 0.00 179.25 179.91 2hxj h LEU 81 N 0.77 0.92 -0.69 0.00 3.38 -0.58 -1.50 115.31 117.60 2hxj h LEU 81 Ca 0.12 -0.20 -0.10 0.00 0.09 0.00 0.00 57.88 57.79 2hxj h LEU 81 Cb 0.67 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 2hxj h LEU 81 CO 0.05 0.92 -0.08 0.00 0.09 0.00 0.00 178.44 179.41 2hxj h ALA 82 N 1.19 0.89 -0.09 1.53 0.00 -1.00 -0.91 119.26 120.87 2hxj h ALA 82 Ca 0.19 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2hxj h ALA 82 Cb 0.39 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2hxj h ALA 82 CO 0.01 0.64 0.00 -0.09 0.00 0.00 0.00 179.25 179.81 2hxj h ARG 83 N 0.84 0.12 0.00 0.00 2.43 -0.43 -3.47 114.38 113.87 2hxj h ARG 83 Ca 0.14 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 2hxj h ARG 83 Cb 0.61 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 2hxj h ARG 83 CO 0.04 0.13 0.00 0.41 -1.51 0.00 0.00 179.97 179.04 2hxj n GLY 84 N -1.37 -0.68 0.00 2.80 0.00 -0.35 -5.07 105.19 100.52 2hxj n GLY 84 Ca -0.02 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.89 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 -0.85 3.79 -0.02 0.00 -1.26 -4.89 105.19 101.96 2hxj n GLY 85 Ca 0.00 -1.90 -0.35 0.00 0.00 0.00 0.00 46.02 43.77 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 3.80 0.15 1.61 -0.14 -1.26 0.57 119.74 124.47 2hxj s LYS 86 Ca 0.00 1.50 -0.03 0.00 -1.36 0.00 0.00 55.97 56.07 2hxj s LYS 86 Cb 0.00 -2.22 -0.05 0.00 -1.68 0.00 0.00 37.83 33.88 2hxj s LYS 86 CO 0.00 -0.46 0.37 1.03 -0.76 0.00 0.00 175.35 175.53 2hxj s ARG 87 N -3.01 3.58 0.12 1.68 0.52 -0.49 -4.49 118.95 116.86 2hxj s ARG 87 Ca 0.66 -0.17 0.09 0.00 -0.52 0.00 0.00 55.73 55.79 2hxj s ARG 87 Cb -0.21 -2.86 -0.04 0.00 0.52 0.00 0.00 34.95 32.37 2hxj s ARG 87 CO 0.25 0.46 -0.23 -0.06 0.02 0.00 0.00 175.30 175.74 2hxj s PHE 88 N -1.70 1.99 1.27 -0.53 0.08 0.16 -0.52 117.98 118.73 2hxj s PHE 88 Ca 0.40 -0.40 -0.21 0.00 0.12 0.00 0.00 56.93 56.83 2hxj s PHE 88 Cb -0.12 -1.08 0.31 0.00 -0.57 0.00 0.00 43.02 41.57 2hxj s PHE 88 CO 0.26 0.26 1.10 -0.51 -0.10 0.00 0.00 175.22 176.24 2hxj s ASP 89 N -2.00 0.38 0.32 1.36 -0.00 -0.17 -0.41 116.67 116.14 2hxj s ASP 89 Ca 0.10 0.51 0.17 0.00 -0.00 0.00 0.00 52.55 53.33 2hxj s ASP 89 Cb -0.10 -0.66 0.28 0.00 -0.00 0.00 0.00 42.92 42.44 2hxj s ASP 89 CO 0.05 -4.44 1.54 -0.07 -0.00 0.00 0.00 175.17 172.25 2hxj h LEU 90 N -2.80 0.00 -2.81 1.23 3.38 -1.98 -1.95 115.31 110.37 2hxj h LEU 90 Ca -0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.55 2hxj h LEU 90 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 2hxj h LEU 90 CO 0.28 0.43 0.00 0.59 0.09 0.00 0.00 178.44 179.83 2hxj n ASN 91 N -3.28 4.37 -4.08 -0.43 4.13 -1.26 -4.82 115.26 109.88 2hxj n ASN 91 Ca 0.01 -2.59 -0.37 0.00 1.68 0.00 0.00 54.58 53.32 2hxj n ASN 91 Cb 0.66 -0.60 -0.02 0.00 -1.54 0.00 0.00 39.78 38.28 2hxj n ASN 91 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 2hxj n ASN 92 N 0.61 -2.10 -4.50 6.41 6.94 -0.73 -5.02 115.26 116.87 2hxj n ASN 92 Ca 0.21 -1.21 -0.27 0.00 -0.02 0.00 0.00 54.58 53.28 2hxj n ASN 92 Cb 0.89 -2.08 -0.11 0.00 -2.36 0.00 0.00 39.78 36.13 2hxj n ASN 92 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 2hxj s ARG 93 N -7.10 1.79 0.25 -3.83 0.52 -1.26 -4.86 118.95 104.46 2hxj s ARG 93 Ca 0.26 -1.37 -0.31 0.00 -0.52 0.00 0.00 55.73 53.79 2hxj s ARG 93 Cb -0.13 -2.02 -0.12 0.00 0.52 0.00 0.00 34.95 33.20 2hxj s ARG 93 CO 0.95 0.43 1.58 1.19 0.02 0.00 0.00 175.30 179.47 2hxj n PHE 94 N 0.24 2.62 -3.23 -0.53 3.72 -1.26 -1.00 117.46 118.01 2hxj n PHE 94 Ca -0.12 0.25 -0.02 0.00 -0.05 0.00 0.00 57.45 57.50 2hxj n PHE 94 Cb 0.55 -2.58 -0.02 0.00 -0.94 0.00 0.00 39.48 36.49 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 0.04 0.64 0.67 -1.08 2.20 0.32 -4.80 119.74 117.74 2hxj s LYS 95 Ca 0.69 -0.02 0.00 0.00 -0.36 0.00 0.00 55.97 56.28 2hxj s LYS 95 Cb -0.55 -0.04 0.00 0.00 -1.51 0.00 0.00 37.83 35.73 2hxj s LYS 95 CO 0.44 -1.12 0.00 0.41 -0.36 0.00 0.00 175.35 174.72 2hxj n GLY 96 N 4.87 -2.09 3.44 5.54 0.00 -1.26 -4.39 105.19 111.30 2hxj n GLY 96 Ca 0.07 -1.60 -0.10 0.00 0.00 0.00 0.00 46.02 44.40 2hxj n GLY 96 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2hxj s GLU 97 N -0.11 1.33 -0.31 1.61 8.01 -1.26 -1.40 118.70 126.57 2hxj s GLU 97 Ca 0.00 -1.20 -0.25 0.00 0.01 0.00 0.00 54.97 53.53 2hxj s GLU 97 Cb 0.00 0.42 0.00 0.00 -4.31 0.00 0.00 34.13 30.24 2hxj s GLU 97 CO 0.00 -0.52 0.86 0.08 0.01 0.00 0.00 175.26 175.69 2hxj s VAL 98 N -3.99 4.73 0.76 2.63 1.01 0.19 -4.69 120.40 121.05 2hxj s VAL 98 Ca 0.20 1.31 -0.11 0.00 0.00 0.00 0.00 61.98 63.38 2hxj s VAL 98 Cb 0.02 -4.21 0.05 0.00 0.00 0.00 0.00 36.38 32.24 2hxj s VAL 98 CO 0.04 -0.30 1.10 0.42 0.00 0.00 0.00 175.10 176.35 2hxj s THR 99 N 3.12 3.23 0.31 3.92 -4.23 -1.26 -4.42 115.64 116.30 2hxj s THR 99 Ca 0.35 0.43 0.02 0.00 -1.18 0.00 0.00 61.69 61.31 2hxj s THR 99 Cb -0.14 -2.89 0.29 0.00 1.34 0.00 0.00 72.50 71.10 2hxj s THR 99 CO 0.13 -0.50 1.89 -0.65 -0.54 0.00 0.00 174.62 174.96 2hxj h PRO 100 N -0.99 0.93 -0.31 3.99 0.11 -1.99 -0.29 132.00 133.44 2hxj h PRO 100 Ca -0.44 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 65.53 2hxj h PRO 100 Cb 1.24 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 2hxj h PRO 100 CO 0.51 0.62 -0.14 1.49 -0.21 0.00 0.00 178.00 180.27 2hxj h GLU 101 N 0.96 0.65 -0.69 1.05 4.57 -1.99 -1.78 114.58 117.34 2hxj h GLU 101 Ca 0.41 -0.28 -0.03 0.00 -1.18 0.00 0.00 59.36 58.29 2hxj h GLU 101 Cb 0.33 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.86 2hxj h GLU 101 CO -0.17 0.86 0.32 0.93 -1.18 0.00 0.00 179.01 179.77 2hxj h GLU 102 N 0.41 1.01 -0.68 1.92 5.08 -1.80 -0.42 114.58 120.09 2hxj h GLU 102 Ca 0.07 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 2hxj h GLU 102 Cb 0.66 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 2hxj h GLU 102 CO 0.04 0.80 0.33 0.37 -1.00 0.00 0.00 179.01 179.56 2hxj h GLN 103 N 0.97 0.97 -0.46 2.33 4.15 -1.03 -1.76 115.11 120.28 2hxj h GLN 103 Ca 0.24 -0.14 -0.10 0.00 0.77 0.00 0.00 58.65 59.42 2hxj h GLN 103 Cb 0.14 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.64 2hxj h GLN 103 CO -0.03 0.77 -0.09 0.00 -1.93 0.00 0.00 178.83 177.55 2hxj h ALA 104 N 1.15 0.64 -0.79 3.38 0.00 -0.93 0.45 119.26 123.15 2hxj h ALA 104 Ca 0.23 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 2hxj h ALA 104 Cb 0.11 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 2hxj h ALA 104 CO -0.03 0.51 0.35 0.82 0.00 0.00 0.00 179.25 180.90 2hxj h ILE 105 N 0.72 1.26 -0.01 0.00 2.04 -0.89 -2.24 117.51 118.38 2hxj h ILE 105 Ca 0.12 -0.76 -0.13 0.00 1.00 0.00 0.00 64.86 65.09 2hxj h ILE 105 Cb 0.63 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 2hxj h ILE 105 CO 0.04 0.32 -0.58 0.00 0.00 0.00 0.00 178.15 177.93 2hxj h ALA 106 N 1.18 1.01 0.00 1.87 0.00 -1.03 -2.23 119.26 120.06 2hxj h ALA 106 Ca 0.27 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2hxj h ALA 106 Cb 0.17 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2hxj h ALA 106 CO -0.03 0.72 0.00 1.96 0.00 0.00 0.00 179.25 181.91 2hxj h GLN 107 N 0.03 0.00 -0.06 0.00 4.20 -0.34 -2.24 115.11 116.70 2hxj h GLN 107 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 2hxj h GLN 107 Cb 1.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.82 2hxj h GLN 107 CO 0.08 0.00 0.00 0.09 -0.67 0.00 0.00 178.83 178.33 2hxj n ASN 108 N -2.98 0.80 -4.74 1.46 3.02 -0.84 -4.83 115.26 107.15 2hxj n ASN 108 Ca 0.01 -1.47 -0.40 0.00 -0.03 0.00 0.00 54.58 52.69 2hxj n ASN 108 Cb 0.30 -0.04 -0.05 0.00 -0.61 0.00 0.00 39.78 39.38 2hxj n ASN 108 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 2hxj s HIS 109 N -1.93 3.91 0.36 3.10 2.46 -0.84 -4.96 115.29 117.39 2hxj s HIS 109 Ca 0.34 1.85 0.38 0.00 0.47 0.00 0.00 55.06 58.09 2hxj s HIS 109 Cb 0.17 -2.99 1.96 0.00 -0.13 0.00 0.00 32.58 31.60 2hxj s HIS 109 CO 0.27 0.37 2.15 -1.00 -2.47 0.00 0.00 174.74 174.06 2hxj h PRO 110 N 4.71 0.00 0.00 2.88 0.13 -1.90 -1.63 132.00 136.19 2hxj h PRO 110 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2hxj h PRO 110 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2hxj h PRO 110 CO 0.69 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.65 2hxj n PHE 111 N -2.89 0.55 0.79 1.56 0.99 -1.26 -2.52 117.46 114.68 2hxj n PHE 111 Ca -0.02 0.20 0.10 0.00 -0.00 0.00 0.00 57.45 57.73 2hxj n PHE 111 Cb 0.11 -0.83 0.28 0.00 -1.00 0.00 0.00 39.48 38.05 2hxj n PHE 111 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 2hxj n VAL 112 N -1.99 0.40 1.17 -4.37 0.31 -0.61 -4.43 118.33 108.81 2hxj n VAL 112 Ca 0.04 -0.53 0.00 0.00 -0.01 0.00 0.00 64.34 63.84 2hxj n VAL 112 Cb 0.26 0.52 0.00 0.00 -0.91 0.00 0.00 33.84 33.71 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 0.78 0.72 0.00 5.55 3.00 -1.05 -2.04 117.38 124.34 2hxj n GLN 113 Ca 0.17 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 57.20 2hxj n GLN 113 Cb 0.42 -1.14 -0.01 0.00 0.00 0.00 0.00 30.24 29.52 2hxj n GLN 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2hxj n GLN 114 N -0.26 2.39 -0.09 -1.09 10.64 -1.26 -4.48 117.38 123.22 2hxj n GLN 114 Ca 0.00 -0.50 -0.11 0.00 -1.83 0.00 0.00 57.00 54.56 2hxj n GLN 114 Cb 0.07 -1.02 -0.11 0.00 -0.86 0.00 0.00 30.24 28.32 2hxj n GLN 114 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2hxj n ALA 115 N -0.37 1.58 0.00 2.61 0.00 -0.87 -5.27 120.51 118.19 2hxj n ALA 115 Ca 0.03 -0.96 0.00 0.00 0.00 0.00 0.00 53.44 52.51 2hxj n ALA 115 Cb 0.17 -0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.59 2hxj n ALA 115 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39