#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hxj n ALA 6 N 0.00 4.08 0.40 1.79 0.00 -1.26 -4.15 120.51 121.36 2hxj n ALA 6 Ca 0.00 -0.46 0.12 0.00 0.00 0.00 0.00 53.44 53.10 2hxj n ALA 6 Cb 0.00 -0.59 0.22 0.00 0.00 0.00 0.00 19.45 19.09 2hxj n ALA 6 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 2hxj h LEU 7 N 0.07 0.00 0.19 0.00 8.10 -2.04 -1.00 115.31 120.62 2hxj h LEU 7 Ca 0.00 -0.04 -0.33 0.00 0.11 0.00 0.00 57.88 57.62 2hxj h LEU 7 Cb 0.39 0.00 0.02 0.00 -0.44 0.00 0.00 40.66 40.62 2hxj h LEU 7 CO 0.00 0.02 -1.55 1.23 -4.11 0.00 0.00 178.44 174.03 2hxj h GLY 8 N 4.26 0.45 1.45 0.17 0.00 -2.00 -2.05 103.07 105.36 2hxj h GLY 8 Ca 0.00 -1.16 -0.13 0.00 0.00 0.00 0.00 47.33 46.04 2hxj h GLY 8 CO 0.00 1.02 -0.38 0.00 0.00 0.00 0.00 176.54 177.18 2hxj h ALA 9 N 0.28 0.84 -0.44 3.60 0.00 -1.72 -1.52 119.26 120.30 2hxj h ALA 9 Ca -0.26 -0.43 -0.13 0.00 0.00 0.00 0.00 54.91 54.08 2hxj h ALA 9 Cb 2.09 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.76 2hxj h ALA 9 CO 0.21 0.64 -0.24 0.00 0.00 0.00 0.00 179.25 179.86 2hxj h ALA 10 N 1.08 0.62 -0.06 0.00 0.00 -1.20 -0.20 119.26 119.51 2hxj h ALA 10 Ca 0.05 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 2hxj h ALA 10 Cb 0.88 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 2hxj h ALA 10 CO 0.08 0.62 0.01 1.25 0.00 0.00 0.00 179.25 181.21 2hxj h LEU 11 N 0.77 0.09 -0.73 0.00 5.85 -1.35 -1.38 115.31 118.56 2hxj h LEU 11 Ca 0.09 -0.24 0.07 0.00 0.84 0.00 0.00 57.88 58.64 2hxj h LEU 11 Cb 0.82 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.77 2hxj h LEU 11 CO 0.07 0.30 0.42 0.50 -0.34 0.00 0.00 178.44 179.39 2hxj h LYS 12 N -0.13 0.73 -0.56 1.25 3.64 -1.09 -1.10 116.57 119.30 2hxj h LYS 12 Ca 0.02 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.30 2hxj h LYS 12 Cb 0.25 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 2hxj h LYS 12 CO 0.00 0.48 0.13 0.77 -2.27 0.00 0.00 179.45 178.57 2hxj h SER 13 N 0.75 0.86 -0.58 4.20 0.02 -0.90 -1.96 113.55 115.94 2hxj h SER 13 Ca 0.33 -0.24 -0.09 0.00 -0.84 0.00 0.00 61.79 60.96 2hxj h SER 13 Cb 0.22 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 2hxj h SER 13 CO -0.19 0.87 0.04 0.00 -1.14 0.00 0.00 176.83 176.41 2hxj h ALA 14 N 1.02 0.93 0.00 3.77 0.00 -0.67 -3.14 119.26 121.17 2hxj h ALA 14 Ca 0.18 -0.29 -0.16 0.00 0.00 0.00 0.00 54.91 54.64 2hxj h ALA 14 Cb 0.35 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2hxj h ALA 14 CO 0.00 0.65 -0.77 -0.39 0.00 0.00 0.00 179.25 178.74 2hxj h VAL 15 N 0.95 1.53 0.00 0.00 -1.51 -0.87 -3.10 116.25 113.25 2hxj h VAL 15 Ca 0.18 -2.65 0.00 0.00 -1.23 0.00 0.00 66.70 62.99 2hxj h VAL 15 Cb 0.49 2.44 0.00 0.00 -2.13 0.00 0.00 31.29 32.09 2hxj h VAL 15 CO 0.02 0.75 0.00 0.00 -1.23 0.00 0.00 177.57 177.11 2hxj n GLN 16 N -3.59 0.06 -1.36 5.19 6.02 -0.77 -4.86 117.38 118.07 2hxj n GLN 16 Ca -0.01 0.37 -0.23 0.00 -0.01 0.00 0.00 57.00 57.12 2hxj n GLN 16 Cb 0.75 -1.63 -0.09 0.00 1.02 0.00 0.00 30.24 30.30 2hxj n GLN 16 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2hxj n THR 17 N -1.74 3.24 -4.03 5.09 -2.24 -1.18 -5.07 114.28 108.36 2hxj n THR 17 Ca 0.02 -2.60 -0.25 0.00 -2.27 0.00 0.00 64.05 58.96 2hxj n THR 17 Cb 0.14 -1.70 -0.04 0.00 -2.10 0.00 0.00 70.33 66.63 2hxj n THR 17 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2hxj s SER 19 N 0.80 5.90 0.25 3.42 1.04 -1.26 -5.16 113.70 118.68 2hxj s SER 19 Ca 0.61 -0.02 -0.04 0.00 0.48 0.00 0.00 55.95 56.99 2hxj s SER 19 Cb 0.37 -1.65 0.46 0.00 0.10 0.00 0.00 66.02 65.30 2hxj s SER 19 CO -0.16 0.03 1.75 0.11 0.98 0.00 0.00 173.24 175.94 2hxj h LYS 20 N 2.03 0.51 -0.12 4.02 6.56 -1.98 -1.32 116.57 126.28 2hxj h LYS 20 Ca -0.49 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.07 2hxj h LYS 20 Cb 1.21 -0.12 -0.01 0.00 -0.57 0.00 0.00 32.23 32.75 2hxj h LYS 20 CO 0.64 0.34 0.08 0.87 -2.06 0.00 0.00 179.45 179.32 2hxj h LYS 21 N 0.53 0.16 -0.06 3.15 1.57 -2.04 -1.99 116.57 117.90 2hxj h LYS 21 Ca 0.42 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 59.15 2hxj h LYS 21 Cb 0.59 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 2hxj h LYS 21 CO -0.37 0.12 -0.14 -0.22 -0.57 0.00 0.00 179.45 178.28 2hxj h LYS 22 N 0.15 0.08 -0.02 3.15 1.63 -1.80 0.26 116.57 120.02 2hxj h LYS 22 Ca 0.04 -0.02 -0.19 0.00 -0.85 0.00 0.00 60.65 59.63 2hxj h LYS 22 Cb 0.00 -0.01 0.01 0.00 -0.60 0.00 0.00 32.23 31.63 2hxj h LYS 22 CO -0.01 0.23 -0.75 1.96 -3.45 0.00 0.00 179.45 177.43 2hxj h GLN 23 N 0.08 0.54 -0.35 1.90 4.20 -0.91 -3.27 115.11 117.31 2hxj h GLN 23 Ca 0.02 -0.56 -0.12 0.00 0.06 0.00 0.00 58.65 58.05 2hxj h GLN 23 Cb 0.30 0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 2hxj h GLN 23 CO 0.02 1.18 -0.26 1.79 -0.67 0.00 0.00 178.83 180.89 2hxj h THR 24 N 0.12 1.27 0.00 -0.54 1.35 -0.60 -1.70 112.91 112.82 2hxj h THR 24 Ca -0.09 -1.38 0.00 0.00 -0.55 0.00 0.00 66.41 64.40 2hxj h THR 24 Cb 1.43 1.29 0.00 0.00 -1.73 0.00 0.00 68.15 69.13 2hxj h THR 24 CO 0.15 0.45 0.00 -0.62 -0.25 0.00 0.00 175.52 175.25 2hxj n GLU 25 N -4.10 0.41 0.00 4.72 1.02 0.00 -2.13 120.64 120.57 2hxj n GLU 25 Ca -0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2hxj n GLU 25 Cb 0.45 -1.28 0.00 0.00 -0.02 0.00 0.00 31.44 30.59 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 0.73 0.00 -0.13 -3.67 5.41 -0.64 -2.15 119.36 118.90 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 0.19 0.00 -0.02 0.00 -0.71 0.00 0.00 39.64 39.10 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 0.52 -0.27 -1.39 0.00 -1.70 0.21 119.26 116.63 2hxj h ALA 28 Ca 0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 2hxj h ALA 28 Cb 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2hxj h ALA 28 CO 0.00 0.36 0.15 -0.44 0.00 0.00 0.00 179.25 179.31 2hxj h ASP 29 N 0.53 0.34 0.18 0.00 3.32 -1.70 0.87 116.42 119.97 2hxj h ASP 29 Ca 0.10 -0.09 0.01 0.00 0.02 0.00 0.00 57.03 57.07 2hxj h ASP 29 Cb 0.57 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.00 2hxj h ASP 29 CO 0.03 0.34 -0.25 -0.74 -1.72 0.00 0.00 179.24 176.91 2hxj h HIS 30 N 0.32 -0.65 -0.17 4.55 2.76 -1.81 0.79 115.15 120.95 2hxj h HIS 30 Ca 0.10 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.27 2hxj h HIS 30 Cb 0.07 0.26 -0.01 0.00 1.55 0.00 0.00 27.41 29.29 2hxj h HIS 30 CO -0.03 -0.35 0.11 0.82 -1.30 0.00 0.00 177.93 177.18 2hxj h ILE 31 N -0.49 1.06 0.00 6.26 2.04 -0.51 0.40 117.51 126.27 2hxj h ILE 31 Ca 0.01 -0.14 -0.04 0.00 1.00 0.00 0.00 64.86 65.69 2hxj h ILE 31 Cb 0.48 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 2hxj h ILE 31 CO -0.10 0.06 -0.19 1.88 0.00 0.00 0.00 178.15 179.80 2hxj h TYR 32 N 0.22 0.00 0.00 1.37 -1.99 -0.77 -0.61 116.97 115.19 2hxj h TYR 32 Ca 0.06 0.00 -0.27 0.00 2.00 0.00 0.00 58.73 60.52 2hxj h TYR 32 Cb 0.00 0.00 -0.05 0.00 2.00 0.00 0.00 36.73 38.69 2hxj h TYR 32 CO -0.06 0.19 -1.64 0.78 -0.00 0.00 0.00 178.16 177.43 2hxj h GLY 33 N 1.20 0.00 0.96 3.88 0.00 -0.22 -3.39 103.07 105.50 2hxj h GLY 33 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.01 2hxj h GLY 33 CO 0.02 0.00 -1.74 1.70 0.00 0.00 0.00 176.54 176.53 2hxj h LYS 34 N 0.00 0.18 -4.91 4.80 3.64 0.06 -3.46 116.57 116.86 2hxj h LYS 34 Ca -0.26 -0.30 -0.67 0.00 -1.27 0.00 0.00 60.65 58.15 2hxj h LYS 34 Cb 1.93 0.11 -0.29 0.00 -0.41 0.00 0.00 32.23 33.57 2hxj h LYS 34 CO 0.07 0.96 -0.71 0.71 -2.27 0.00 0.00 179.45 178.21 2hxj s TYR 35 N -2.59 3.05 0.27 1.91 1.51 -0.26 -5.00 117.35 116.24 2hxj s TYR 35 Ca -0.12 -1.24 -0.01 0.00 -1.01 0.00 0.00 57.07 54.69 2hxj s TYR 35 Cb 0.07 -2.11 0.48 0.00 -0.11 0.00 0.00 41.96 40.29 2hxj s TYR 35 CO 0.82 -0.64 1.85 -0.44 -1.11 0.00 0.00 175.55 176.03 2hxj h ASP 36 N 8.09 0.96 -0.47 2.29 3.45 -1.87 -1.78 116.42 127.09 2hxj h ASP 36 Ca -0.35 0.03 0.06 0.00 0.43 0.00 0.00 57.03 57.20 2hxj h ASP 36 Cb 1.13 -0.17 -0.03 0.00 -0.56 0.00 0.00 39.33 39.71 2hxj h ASP 36 CO 0.59 0.56 0.31 -0.37 -1.57 0.00 0.00 179.24 178.76 2hxj h VAL 37 N 1.06 0.96 0.14 -1.35 -1.51 -1.88 0.52 116.25 114.19 2hxj h VAL 37 Ca 0.46 -0.13 -0.23 0.00 -1.23 0.00 0.00 66.70 65.58 2hxj h VAL 37 Cb 0.34 0.55 0.02 0.00 -2.13 0.00 0.00 31.29 30.07 2hxj h VAL 37 CO -0.22 0.07 -0.97 -0.26 -1.23 0.00 0.00 177.57 174.96 2hxj h PHE 38 N 0.39 0.71 -0.59 5.19 -1.00 -1.76 -1.99 116.94 117.89 2hxj h PHE 38 Ca 0.20 -0.49 -0.08 0.00 2.81 0.00 0.00 57.97 60.42 2hxj h PHE 38 Cb 0.32 -0.04 -0.02 0.00 3.61 0.00 0.00 35.95 39.81 2hxj h PHE 38 CO -0.00 1.36 0.05 -0.22 -1.61 0.00 0.00 178.31 177.89 2hxj h LYS 39 N -0.14 0.98 -0.64 1.51 3.64 -0.64 -3.04 116.57 118.24 2hxj h LYS 39 Ca -0.16 -0.27 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 2hxj h LYS 39 Cb 1.73 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.44 2hxj h LYS 39 CO 0.18 0.93 0.00 0.54 -2.27 0.00 0.00 179.45 178.83 2hxj n ARG 40 N -4.21 2.49 -3.99 1.90 1.74 0.11 -4.99 116.66 109.71 2hxj n ARG 40 Ca 0.03 -2.31 -0.26 0.00 -0.77 0.00 0.00 57.85 54.55 2hxj n ARG 40 Cb 0.30 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.21 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 1.37 -1.62 -3.01 -1.55 3.01 -1.15 -4.98 117.46 109.54 2hxj n PHE 41 Ca 0.21 0.74 -0.38 0.00 1.01 0.00 0.00 57.45 59.03 2hxj n PHE 41 Cb 0.54 -3.64 -0.06 0.00 -0.01 0.00 0.00 39.48 36.31 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 -6.63 4.46 0.16 -1.08 1.02 -0.76 -4.71 119.74 112.19 2hxj s LYS 42 Ca 0.02 1.07 -0.34 0.00 0.02 0.00 0.00 55.97 56.75 2hxj s LYS 42 Cb -0.01 -3.10 -0.14 0.00 -0.52 0.00 0.00 37.83 34.06 2hxj s LYS 42 CO 0.90 0.49 1.54 -2.30 -0.92 0.00 0.00 175.35 175.06 2hxj n PRO 43 N 1.22 2.03 -3.17 -1.68 -0.02 -1.26 -4.82 135.00 127.29 2hxj n PRO 43 Ca -0.04 0.73 -0.32 0.00 -2.02 0.00 0.00 63.50 61.85 2hxj n PRO 43 Cb 0.50 -2.48 -0.06 0.00 -0.02 0.00 0.00 33.50 31.44 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 0.81 4.06 0.42 2.45 1.43 -1.26 -0.41 118.68 126.18 2hxj s LEU 44 Ca 0.79 1.16 -0.25 0.00 -1.03 0.00 0.00 54.13 54.80 2hxj s LEU 44 Cb -0.71 -3.97 -0.08 0.00 0.03 0.00 0.00 46.19 41.46 2hxj s LEU 44 CO 0.40 -0.20 1.25 0.00 0.23 0.00 0.00 176.35 178.03 2hxj s ALA 45 N -1.99 3.17 0.48 4.21 0.00 0.38 -4.60 121.76 123.39 2hxj s ALA 45 Ca 0.52 1.12 -0.24 0.00 0.00 0.00 0.00 51.96 53.36 2hxj s ALA 45 Cb -0.10 -3.45 -0.07 0.00 0.00 0.00 0.00 23.12 19.49 2hxj s ALA 45 CO 0.20 -0.75 1.43 1.28 0.00 0.00 0.00 175.76 177.92 2hxj n LEU 46 N -0.03 5.29 -0.51 0.00 4.77 -1.26 -2.43 117.00 122.84 2hxj n LEU 46 Ca 0.05 1.09 -0.07 0.00 -0.03 0.00 0.00 56.01 57.05 2hxj n LEU 46 Cb 0.45 -1.60 -0.03 0.00 -2.33 0.00 0.00 43.42 39.91 2hxj n LEU 46 CO 0.53 -0.23 -0.06 0.61 -1.33 0.00 0.00 177.39 176.91 2hxj n GLY 47 N 0.61 0.89 0.30 -0.72 0.00 -1.26 -4.90 105.19 100.10 2hxj n GLY 47 Ca 0.06 -0.70 0.19 0.00 0.00 0.00 0.00 46.02 45.57 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 0.11 -0.50 -0.61 6.09 -1.85 -2.74 117.51 118.01 2hxj h ILE 48 Ca -0.14 -0.33 0.00 0.00 -1.37 0.00 0.00 64.86 63.03 2hxj h ILE 48 Cb 0.45 1.29 -0.02 0.00 0.47 0.00 0.00 36.82 39.00 2hxj h ILE 48 CO 0.20 0.02 0.33 -2.24 -3.07 0.00 0.00 178.15 173.39 2hxj h ASP 49 N 0.00 0.58 0.38 2.19 -0.00 -1.90 0.16 116.42 117.83 2hxj h ASP 49 Ca -0.00 -0.02 -0.13 0.00 -0.00 0.00 0.00 57.03 56.87 2hxj h ASP 49 Cb 0.29 -0.15 -0.01 0.00 -0.00 0.00 0.00 39.33 39.46 2hxj h ASP 49 CO 0.00 0.43 -0.56 1.56 -0.00 0.00 0.00 179.24 180.67 2hxj h GLN 50 N 0.68 0.19 -0.35 4.15 1.08 -1.90 0.49 115.11 119.45 2hxj h GLN 50 Ca 0.18 -0.12 -0.14 0.00 -1.45 0.00 0.00 58.65 57.12 2hxj h GLN 50 Cb -0.07 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.37 2hxj h GLN 50 CO -0.04 0.70 -0.34 -0.44 -0.95 0.00 0.00 178.83 177.76 2hxj h ASP 51 N 0.14 0.83 -0.20 1.46 3.32 -1.36 -2.44 116.42 118.17 2hxj h ASP 51 Ca -0.00 -0.35 -0.20 0.00 0.02 0.00 0.00 57.03 56.49 2hxj h ASP 51 Cb 1.04 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.36 2hxj h ASP 51 CO 0.08 1.09 -0.65 -0.07 -1.72 0.00 0.00 179.24 177.98 2hxj h LEU 52 N 0.66 0.94 -0.19 1.55 3.38 -0.12 -2.92 115.31 118.61 2hxj h LEU 52 Ca 0.07 -0.55 -0.00 0.00 0.09 0.00 0.00 57.88 57.48 2hxj h LEU 52 Cb 0.89 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 2hxj h LEU 52 CO 0.08 1.35 0.11 0.40 0.09 0.00 0.00 178.44 180.47 2hxj h ILE 53 N 0.60 1.10 -0.31 1.22 2.04 -0.90 -1.67 117.51 119.59 2hxj h ILE 53 Ca -0.01 -0.25 -0.09 0.00 1.00 0.00 0.00 64.86 65.50 2hxj h ILE 53 Cb 1.26 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 38.25 2hxj h ILE 53 CO 0.14 0.09 -0.17 0.00 0.00 0.00 0.00 178.15 178.21 2hxj h ALA 54 N 1.01 1.13 0.00 1.87 0.00 -1.54 -3.07 119.26 118.67 2hxj h ALA 54 Ca 0.07 -0.31 -0.12 0.00 0.00 0.00 0.00 54.91 54.55 2hxj h ALA 54 Cb 0.05 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2hxj h ALA 54 CO -0.01 0.54 -0.57 0.00 0.00 0.00 0.00 179.25 179.21 2hxj h ALA 55 N 1.32 0.83 -2.22 0.00 0.00 -1.30 -3.35 119.26 114.55 2hxj h ALA 55 Ca 0.08 -0.52 -0.58 0.00 0.00 0.00 0.00 54.91 53.90 2hxj h ALA 55 Cb 0.58 -0.09 -0.42 0.00 0.00 0.00 0.00 17.79 17.86 2hxj h ALA 55 CO 0.04 0.71 -0.69 1.28 0.00 0.00 0.00 179.25 180.59 2hxj n LEU 56 N -3.53 3.72 0.25 0.00 4.77 -0.65 -4.93 117.00 116.62 2hxj n LEU 56 Ca -0.00 -5.50 0.17 0.00 -0.03 0.00 0.00 56.01 50.65 2hxj n LEU 56 Cb 0.65 -0.44 0.82 0.00 -2.33 0.00 0.00 43.42 42.12 2hxj n LEU 56 CO 0.41 2.23 1.00 1.55 -1.33 0.00 0.00 177.39 181.24 2hxj h PRO 57 N 3.47 0.00 0.00 3.23 0.13 -1.69 -2.00 132.00 135.14 2hxj h PRO 57 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 2hxj h PRO 57 Cb 0.62 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.75 2hxj h PRO 57 CO 0.78 0.00 0.00 -0.56 -0.23 0.00 0.00 178.00 177.99 2hxj h GLN 58 N 0.00 0.00 -6.24 0.86 -0.00 -1.90 -3.45 115.11 104.39 2hxj h GLN 58 Ca 0.00 0.00 -0.51 0.00 -0.00 0.00 0.00 58.65 58.14 2hxj h GLN 58 Cb 0.18 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.64 2hxj h GLN 58 CO 0.00 0.00 -0.35 0.71 -0.00 0.00 0.00 178.83 179.19 2hxj s TYR 59 N -3.56 3.48 -0.27 0.06 2.02 -0.75 -4.53 117.35 113.80 2hxj s TYR 59 Ca 0.02 0.25 -0.29 0.00 -0.37 0.00 0.00 57.07 56.68 2hxj s TYR 59 Cb 0.09 -1.78 -0.01 0.00 -0.40 0.00 0.00 41.96 39.85 2hxj s TYR 59 CO 0.55 0.37 1.45 0.34 -1.57 0.00 0.00 175.55 176.68 2hxj s ASP 60 N -3.45 6.52 0.37 2.29 2.15 -1.26 -4.92 116.67 118.37 2hxj s ASP 60 Ca 0.37 1.37 0.17 0.00 0.43 0.00 0.00 52.55 54.89 2hxj s ASP 60 Cb -0.10 -2.54 1.08 0.00 -0.30 0.00 0.00 42.92 41.06 2hxj s ASP 60 CO 0.30 -1.18 1.73 0.00 -0.17 0.00 0.00 175.17 175.85 2hxj h ALA 61 N 10.00 2.13 0.00 3.66 0.00 -1.94 0.20 119.26 133.32 2hxj h ALA 61 Ca -0.30 0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.61 2hxj h ALA 61 Cb 1.12 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 2hxj h ALA 61 CO 1.02 -0.61 -0.49 0.00 0.00 0.00 0.00 179.25 179.17 2hxj h ALA 62 N 1.68 0.92 0.00 0.00 0.00 -2.00 -2.37 119.26 117.49 2hxj h ALA 62 Ca 0.65 -0.45 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 2hxj h ALA 62 Cb 1.57 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 2hxj h ALA 62 CO -0.40 0.62 -0.70 -0.07 0.00 0.00 0.00 179.25 178.69 2hxj h LEU 63 N 0.00 0.00 -0.32 0.00 3.38 -1.05 -2.87 115.31 114.45 2hxj h LEU 63 Ca -0.00 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.84 2hxj h LEU 63 Cb 1.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 2hxj h LEU 63 CO 0.06 0.32 -0.28 0.40 0.09 0.00 0.00 178.44 179.03 2hxj h ILE 64 N 0.00 1.29 -0.51 1.22 2.04 -0.92 -1.66 117.51 118.97 2hxj h ILE 64 Ca -0.04 -1.44 -0.03 0.00 1.00 0.00 0.00 64.86 64.35 2hxj h ILE 64 Cb 1.28 1.50 -0.02 0.00 -0.74 0.00 0.00 36.82 38.84 2hxj h ILE 64 CO 0.03 0.47 0.20 0.00 0.00 0.00 0.00 178.15 178.85 2hxj h ALA 65 N 0.73 1.39 -0.09 1.87 0.00 -1.48 0.16 119.26 121.83 2hxj h ALA 65 Ca 0.06 -0.14 -0.17 0.00 0.00 0.00 0.00 54.91 54.65 2hxj h ALA 65 Cb 0.85 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2hxj h ALA 65 CO 0.07 0.46 -0.68 -0.09 0.00 0.00 0.00 179.25 179.01 2hxj h ARG 66 N 0.73 0.40 -0.14 0.00 2.43 -1.28 -0.39 114.38 116.12 2hxj h ARG 66 Ca 0.18 -0.31 -0.18 0.00 -0.81 0.00 0.00 59.98 58.86 2hxj h ARG 66 Cb 0.16 0.06 0.01 0.00 -0.42 0.00 0.00 29.97 29.77 2hxj h ARG 66 CO -0.02 0.94 -0.60 0.28 -1.51 0.00 0.00 179.97 179.06 2hxj h VAL 67 N 0.28 1.32 -0.84 0.20 2.07 -0.10 -1.46 116.25 117.73 2hxj h VAL 67 Ca -0.02 -1.85 0.00 0.00 0.82 0.00 0.00 66.70 65.65 2hxj h VAL 67 Cb 1.24 2.05 -0.04 0.00 -1.52 0.00 0.00 31.29 33.02 2hxj h VAL 67 CO 0.12 0.57 0.53 0.25 0.02 0.00 0.00 177.57 179.06 2hxj h LEU 68 N 0.33 0.99 -0.42 2.57 5.85 -0.65 0.91 115.31 124.88 2hxj h LEU 68 Ca -0.03 -0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.57 2hxj h LEU 68 Cb 1.23 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 42.00 2hxj h LEU 68 CO 0.13 0.74 0.01 0.00 -0.34 0.00 0.00 178.44 178.98 2hxj h ALA 69 N 1.29 0.56 -0.50 1.25 0.00 -1.04 -0.64 119.26 120.17 2hxj h ALA 69 Ca 0.30 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 2hxj h ALA 69 Cb -0.08 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2hxj h ALA 69 CO -0.06 0.34 0.12 -0.91 0.00 0.00 0.00 179.25 178.73 2hxj h ASN 70 N 0.57 0.71 -0.31 0.00 -0.26 -0.73 -2.37 115.58 113.19 2hxj h ASN 70 Ca 0.12 -0.12 -0.05 0.00 -0.56 0.00 0.00 56.30 55.68 2hxj h ASN 70 Cb 0.47 -0.18 -0.01 0.00 -1.06 0.00 0.00 38.32 37.53 2hxj h ASN 70 CO 0.02 0.70 -0.01 -0.74 -1.06 0.00 0.00 177.43 176.34 2hxj h HIS 71 N 0.74 0.61 0.00 1.19 2.76 -0.31 -3.12 115.15 117.02 2hxj h HIS 71 Ca 0.16 -0.11 0.00 0.00 -2.20 0.00 0.00 60.37 58.22 2hxj h HIS 71 Cb 0.28 -0.16 0.00 0.00 1.55 0.00 0.00 27.41 29.08 2hxj h HIS 71 CO 0.01 0.70 0.00 0.00 -1.30 0.00 0.00 177.93 177.34 2hxj n ARG 73 N -2.28 2.60 -2.78 0.00 1.85 -0.92 -4.58 116.66 110.55 2hxj n ARG 73 Ca 0.02 -2.44 -0.35 0.00 -1.00 0.00 0.00 57.85 54.08 2hxj n ARG 73 Cb 0.22 -1.52 -0.07 0.00 -1.05 0.00 0.00 32.46 30.04 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 -1.21 4.37 0.27 2.89 0.52 -1.01 -4.89 118.95 119.88 2hxj s ARG 74 Ca 0.42 1.24 -0.01 0.00 -0.52 0.00 0.00 55.73 56.86 2hxj s ARG 74 Cb 0.23 -2.47 0.59 0.00 0.52 0.00 0.00 34.95 33.82 2hxj s ARG 74 CO 0.31 0.09 1.68 -1.00 0.02 0.00 0.00 175.30 176.40 2hxj h PRO 75 N 2.49 0.28 -0.06 3.54 0.13 -1.94 -0.59 132.00 135.85 2hxj h PRO 75 Ca -0.48 -0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 64.59 2hxj h PRO 75 Cb 1.19 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 2hxj h PRO 75 CO 0.63 0.18 -0.17 0.00 -0.23 0.00 0.00 178.00 178.41 2hxj h ARG 76 N 0.29 0.09 0.01 0.86 3.08 -1.94 -0.60 114.38 116.17 2hxj h ARG 76 Ca 0.49 -0.02 -0.21 0.00 0.07 0.00 0.00 59.98 60.31 2hxj h ARG 76 Cb 0.90 -0.01 0.02 0.00 0.08 0.00 0.00 29.97 30.96 2hxj h ARG 76 CO -0.56 0.26 -0.84 -0.92 -1.07 0.00 0.00 179.97 176.84 2hxj h TYR 77 N 0.09 0.81 -0.81 3.04 3.20 -1.43 -2.55 116.97 119.32 2hxj h TYR 77 Ca 0.02 -0.45 0.01 0.00 3.14 0.00 0.00 58.73 61.44 2hxj h TYR 77 Cb 0.35 -0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.49 2hxj h TYR 77 CO 0.00 1.29 0.53 -0.07 -1.64 0.00 0.00 178.16 178.26 2hxj h LEU 78 N 0.11 0.93 -0.93 2.82 -0.00 -0.62 -1.06 115.31 116.57 2hxj h LEU 78 Ca -0.11 -0.03 -0.09 0.00 -0.00 0.00 0.00 57.88 57.65 2hxj h LEU 78 Cb 1.53 -0.23 -0.02 0.00 -0.00 0.00 0.00 40.66 41.94 2hxj h LEU 78 CO 0.16 0.68 -0.19 0.11 -0.00 0.00 0.00 178.44 179.21 2hxj h LYS 79 N 1.10 0.57 -0.28 1.13 1.57 -1.15 -0.18 116.57 119.33 2hxj h LYS 79 Ca 0.29 -0.20 -0.16 0.00 -1.87 0.00 0.00 60.65 58.72 2hxj h LYS 79 Cb -0.11 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.15 2hxj h LYS 79 CO -0.06 0.73 -0.44 0.00 -0.57 0.00 0.00 179.45 179.11 2hxj h ALA 80 N 1.29 0.43 -0.50 3.86 0.00 -0.90 0.61 119.26 124.04 2hxj h ALA 80 Ca 0.08 -0.47 -0.08 0.00 0.00 0.00 0.00 54.91 54.44 2hxj h ALA 80 Cb 0.62 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2hxj h ALA 80 CO 0.04 0.57 -0.01 -0.07 0.00 0.00 0.00 179.25 179.78 2hxj h LEU 81 N 0.55 0.82 -0.78 0.00 3.38 -0.73 -2.35 115.31 116.19 2hxj h LEU 81 Ca 0.02 -0.21 -0.08 0.00 0.09 0.00 0.00 57.88 57.70 2hxj h LEU 81 Cb 1.04 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 2hxj h LEU 81 CO 0.10 0.89 0.04 0.00 0.09 0.00 0.00 178.44 179.56 2hxj h ALA 82 N 1.20 0.99 0.00 1.53 0.00 -0.75 -0.07 119.26 122.15 2hxj h ALA 82 Ca 0.15 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2hxj h ALA 82 Cb 0.49 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 2hxj h ALA 82 CO 0.02 0.63 -0.04 -0.09 0.00 0.00 0.00 179.25 179.77 2hxj h ARG 83 N 0.89 0.00 0.00 0.00 2.43 -0.57 -3.47 114.38 113.67 2hxj h ARG 83 Ca 0.17 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 2hxj h ARG 83 Cb 0.47 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 2hxj h ARG 83 CO 0.02 0.04 0.00 0.41 -1.51 0.00 0.00 179.97 178.93 2hxj n GLY 84 N -1.26 -0.41 0.00 2.80 0.00 -0.04 -5.06 105.19 101.22 2hxj n GLY 84 Ca -0.03 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.94 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 -1.84 3.78 -0.02 0.00 -1.26 -4.91 105.19 100.94 2hxj n GLY 85 Ca 0.00 -2.02 -0.35 0.00 0.00 0.00 0.00 46.02 43.65 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 3.66 0.21 1.61 1.02 -1.26 -0.78 119.74 124.19 2hxj s LYS 86 Ca 0.00 1.52 -0.07 0.00 0.02 0.00 0.00 55.97 57.44 2hxj s LYS 86 Cb 0.00 -2.14 -0.06 0.00 -0.52 0.00 0.00 37.83 35.11 2hxj s LYS 86 CO 0.00 -0.58 0.49 1.03 -0.92 0.00 0.00 175.35 175.37 2hxj s ARG 87 N -3.12 3.70 0.07 1.68 0.52 -0.83 -4.50 118.95 116.47 2hxj s ARG 87 Ca 0.68 0.09 0.08 0.00 -0.52 0.00 0.00 55.73 56.06 2hxj s ARG 87 Cb -0.21 -2.72 -0.04 0.00 0.52 0.00 0.00 34.95 32.50 2hxj s ARG 87 CO 0.25 0.35 -0.19 -0.06 0.02 0.00 0.00 175.30 175.67 2hxj s PHE 88 N -1.81 2.52 1.12 -0.53 0.08 0.46 -1.06 117.98 118.75 2hxj s PHE 88 Ca 0.44 -0.27 -0.18 0.00 0.12 0.00 0.00 56.93 57.04 2hxj s PHE 88 Cb -0.11 -1.41 0.25 0.00 -0.57 0.00 0.00 43.02 41.18 2hxj s PHE 88 CO 0.24 0.30 1.17 -0.51 -0.10 0.00 0.00 175.22 176.32 2hxj s ASP 89 N -1.71 1.71 0.30 1.36 -0.00 0.09 -0.47 116.67 117.95 2hxj s ASP 89 Ca 0.16 0.56 0.12 0.00 -0.00 0.00 0.00 52.55 53.38 2hxj s ASP 89 Cb -0.10 -0.77 0.46 0.00 -0.00 0.00 0.00 42.92 42.51 2hxj s ASP 89 CO 0.07 -3.63 1.67 -0.07 -0.00 0.00 0.00 175.17 173.20 2hxj h LEU 90 N -2.25 0.00 -9.39 1.23 3.38 -1.97 -3.36 115.31 102.95 2hxj h LEU 90 Ca -0.45 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 56.95 2hxj h LEU 90 Cb 1.28 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.97 2hxj h LEU 90 CO 0.37 0.55 -0.01 0.20 0.09 0.00 0.00 178.44 179.64 2hxj s ASN 91 N -6.82 6.88 -0.01 -0.43 0.01 -1.26 -4.79 114.94 108.53 2hxj s ASN 91 Ca -0.01 1.06 -0.00 0.00 -0.71 0.00 0.00 52.86 53.19 2hxj s ASN 91 Cb 0.13 -2.36 -0.01 0.00 0.41 0.00 0.00 41.25 39.41 2hxj s ASN 91 CO 0.75 -0.03 0.70 -3.20 -1.51 0.00 0.00 177.10 173.82 2hxj n ASN 92 N 3.50 0.31 -4.68 -1.22 2.85 -1.26 -4.81 115.26 109.95 2hxj n ASN 92 Ca -0.04 -1.59 -0.26 0.00 -0.11 0.00 0.00 54.58 52.58 2hxj n ASN 92 Cb 0.51 -0.11 -0.07 0.00 1.24 0.00 0.00 39.78 41.35 2hxj n ASN 92 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 2hxj s ARG 93 N 3.02 2.47 0.27 1.20 0.52 -1.26 -4.91 118.95 120.26 2hxj s ARG 93 Ca 0.04 -1.10 -0.30 0.00 -0.52 0.00 0.00 55.73 53.85 2hxj s ARG 93 Cb 0.02 -2.38 -0.10 0.00 0.52 0.00 0.00 34.95 33.00 2hxj s ARG 93 CO -0.00 0.45 1.43 -0.06 0.02 0.00 0.00 175.30 177.14 2hxj s PHE 94 N -1.78 2.99 -0.46 -0.53 0.08 -1.26 -0.73 117.98 116.28 2hxj s PHE 94 Ca 0.28 1.09 0.06 0.00 0.12 0.00 0.00 56.93 58.48 2hxj s PHE 94 Cb -0.09 -3.82 0.18 0.00 -0.57 0.00 0.00 43.02 38.72 2hxj s PHE 94 CO 0.19 -2.59 0.61 0.21 -0.10 0.00 0.00 175.22 173.54 2hxj s LYS 95 N -0.70 0.93 1.74 0.44 2.20 -0.23 -4.78 119.74 119.34 2hxj s LYS 95 Ca 0.57 -0.96 0.00 0.00 -0.36 0.00 0.00 55.97 55.22 2hxj s LYS 95 Cb -0.42 -0.28 0.00 0.00 -1.51 0.00 0.00 37.83 35.62 2hxj s LYS 95 CO 0.46 -1.28 0.00 0.41 -0.36 0.00 0.00 175.35 174.58 2hxj n GLY 96 N 3.49 -0.85 3.62 5.54 0.00 -1.26 -4.41 105.19 111.32 2hxj n GLY 96 Ca 0.17 -1.43 -0.06 0.00 0.00 0.00 0.00 46.02 44.70 2hxj n GLY 96 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2hxj s GLU 97 N 0.00 0.96 -0.44 1.61 1.03 -1.26 -1.96 118.70 118.65 2hxj s GLU 97 Ca 0.00 -0.45 -0.29 0.00 0.03 0.00 0.00 54.97 54.26 2hxj s GLU 97 Cb 0.00 0.38 0.02 0.00 -0.80 0.00 0.00 34.13 33.73 2hxj s GLU 97 CO 0.00 -0.43 1.26 0.08 -1.33 0.00 0.00 175.26 174.83 2hxj s VAL 98 N -3.16 4.09 0.90 1.83 1.01 0.04 -4.71 120.40 120.39 2hxj s VAL 98 Ca 0.08 1.13 -0.11 0.00 0.00 0.00 0.00 61.98 63.08 2hxj s VAL 98 Cb -0.01 -4.41 0.13 0.00 0.00 0.00 0.00 36.38 32.09 2hxj s VAL 98 CO -0.04 -0.86 1.10 0.42 0.00 0.00 0.00 175.10 175.72 2hxj s THR 99 N 4.82 2.62 0.27 3.92 -4.23 -1.26 -4.47 115.64 117.32 2hxj s THR 99 Ca 0.54 0.20 -0.04 0.00 -1.18 0.00 0.00 61.69 61.21 2hxj s THR 99 Cb -0.10 -2.51 0.22 0.00 1.34 0.00 0.00 72.50 71.44 2hxj s THR 99 CO 0.31 -0.26 1.89 -0.65 -0.54 0.00 0.00 174.62 175.37 2hxj h PRO 100 N -1.64 1.08 -0.42 3.99 0.11 -1.99 -1.13 132.00 132.01 2hxj h PRO 100 Ca -0.47 -0.12 -0.07 0.00 0.11 0.00 0.00 66.00 65.44 2hxj h PRO 100 Cb 1.27 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 2hxj h PRO 100 CO 0.50 0.80 -0.02 1.49 -0.21 0.00 0.00 178.00 180.55 2hxj h GLU 101 N 1.09 0.69 -0.41 1.05 4.57 -1.99 -1.18 114.58 118.39 2hxj h GLU 101 Ca 0.27 -0.18 -0.12 0.00 -1.18 0.00 0.00 59.36 58.16 2hxj h GLU 101 Cb 0.04 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.53 2hxj h GLU 101 CO -0.04 0.72 -0.20 0.93 -1.18 0.00 0.00 179.01 179.23 2hxj h GLU 102 N 0.64 0.86 -0.54 1.92 5.08 -1.82 -0.90 114.58 119.82 2hxj h GLU 102 Ca 0.13 -0.38 -0.11 0.00 -1.00 0.00 0.00 59.36 58.00 2hxj h GLU 102 Cb 0.43 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 2hxj h GLU 102 CO 0.02 1.02 -0.08 0.37 -1.00 0.00 0.00 179.01 179.34 2hxj h GLN 103 N 0.68 1.00 -0.40 2.33 4.15 -1.10 -2.06 115.11 119.70 2hxj h GLN 103 Ca 0.09 -0.35 -0.13 0.00 0.77 0.00 0.00 58.65 59.03 2hxj h GLN 103 Cb 0.77 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.37 2hxj h GLN 103 CO 0.06 1.03 -0.26 0.00 -1.93 0.00 0.00 178.83 177.73 2hxj h ALA 104 N 1.00 0.58 -0.34 3.38 0.00 -0.97 0.17 119.26 123.08 2hxj h ALA 104 Ca 0.15 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 2hxj h ALA 104 Cb 0.63 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2hxj h ALA 104 CO 0.04 0.59 -0.07 0.82 0.00 0.00 0.00 179.25 180.64 2hxj h ILE 105 N 0.71 1.22 -0.22 0.00 2.04 -0.93 -2.36 117.51 117.97 2hxj h ILE 105 Ca 0.08 -0.94 -0.18 0.00 1.00 0.00 0.00 64.86 64.82 2hxj h ILE 105 Cb 0.84 1.04 -0.00 0.00 -0.74 0.00 0.00 36.82 37.96 2hxj h ILE 105 CO 0.07 0.32 -0.59 0.00 0.00 0.00 0.00 178.15 177.95 2hxj h ALA 106 N 1.41 0.54 0.00 1.87 0.00 -0.95 -2.61 119.26 119.53 2hxj h ALA 106 Ca 0.10 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2hxj h ALA 106 Cb 0.44 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2hxj h ALA 106 CO 0.02 0.69 0.00 1.04 0.00 0.00 0.00 179.25 181.00 2hxj n GLN 107 N -3.97 0.18 0.00 0.00 6.02 0.56 -1.77 117.38 118.41 2hxj n GLN 107 Ca -0.04 0.48 0.13 0.00 -0.01 0.00 0.00 57.00 57.57 2hxj n GLN 107 Cb 0.64 -1.90 0.50 0.00 1.02 0.00 0.00 30.24 30.51 2hxj n GLN 107 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2hxj n ASN 108 N -2.25 0.30 -4.74 1.08 3.02 -0.93 -4.87 115.26 106.87 2hxj n ASN 108 Ca 0.01 -0.07 -0.41 0.00 -0.03 0.00 0.00 54.58 54.08 2hxj n ASN 108 Cb 0.18 -0.13 -0.04 0.00 -0.61 0.00 0.00 39.78 39.17 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 -2.83 3.55 0.47 3.10 2.46 -0.73 -4.95 115.29 116.36 2hxj s HIS 109 Ca 0.18 1.58 0.41 0.00 0.47 0.00 0.00 55.06 57.70 2hxj s HIS 109 Cb 0.19 -3.31 2.10 0.00 -0.13 0.00 0.00 32.58 31.42 2hxj s HIS 109 CO 0.56 -0.73 2.24 -1.00 -2.47 0.00 0.00 174.74 173.34 2hxj h PRO 110 N 4.87 0.00 0.00 2.88 0.13 -1.89 -2.27 132.00 135.72 2hxj h PRO 110 Ca -0.45 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.64 2hxj h PRO 110 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 2hxj h PRO 110 CO 0.72 0.00 -0.22 0.74 -0.23 0.00 0.00 178.00 179.01 2hxj h PHE 111 N 0.00 0.00 0.00 1.56 0.04 -1.94 -3.25 116.94 113.35 2hxj h PHE 111 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2hxj h PHE 111 Cb 0.14 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.29 2hxj h PHE 111 CO 0.00 0.22 0.00 0.28 -0.60 0.00 0.00 178.31 178.21 2hxj n VAL 112 N -3.64 0.00 -1.78 -0.55 0.31 -0.86 -4.53 118.33 107.28 2hxj n VAL 112 Ca -0.01 0.00 -0.37 0.00 -0.01 0.00 0.00 64.34 63.95 2hxj n VAL 112 Cb 0.35 -0.46 0.03 0.00 -0.91 0.00 0.00 33.84 32.85 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 0.00 2.67 -2.60 5.55 1.13 -1.23 -3.69 117.38 119.21 2hxj n GLN 113 Ca 0.00 -3.27 -0.19 0.00 -1.94 0.00 0.00 57.00 51.60 2hxj n GLN 113 Cb 0.23 -2.24 0.01 0.00 0.11 0.00 0.00 30.24 28.35 2hxj n GLN 113 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56 2hxj n GLN 114 N -0.32 2.37 -3.15 -1.09 7.27 -1.26 -4.93 117.38 116.27 2hxj n GLN 114 Ca 0.54 -3.96 0.05 0.00 0.07 0.00 0.00 57.00 53.69 2hxj n GLN 114 Cb 0.33 -1.81 -0.00 0.00 2.41 0.00 0.00 30.24 31.16 2hxj n GLN 114 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2hxj s ALA 115 N -3.32 -3.32 -2.42 1.69 0.00 -1.24 -5.18 121.76 107.96 2hxj s ALA 115 Ca 0.39 1.28 0.29 0.00 0.00 0.00 0.00 51.96 53.91 2hxj s ALA 115 Cb 0.42 -2.67 1.18 0.00 0.00 0.00 0.00 23.12 22.04 2hxj s ALA 115 CO -0.09 -1.92 1.82 -0.11 0.00 0.00 0.00 175.76 175.47