#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hxj n ALA 0 N 0.00 0.00 -2.49 5.20 0.00 -1.26 -5.24 120.51 116.72 2hxj n ALA 0 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 2hxj n ALA 0 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 2hxj n ALA 0 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2hxj s THR 2 N 0.00 0.58 0.38 0.00 -4.23 -1.26 -5.13 115.64 105.98 2hxj s THR 2 Ca 0.00 -1.52 0.11 0.00 -1.18 0.00 0.00 61.69 59.10 2hxj s THR 2 Cb 0.00 -1.16 0.33 0.00 1.34 0.00 0.00 72.50 73.01 2hxj s THR 2 CO 0.00 -0.65 1.89 1.56 -0.54 0.00 0.00 174.62 176.88 2hxj h GLN 3 N 3.70 0.58 -0.24 3.99 4.20 -2.05 -1.57 115.11 123.71 2hxj h GLN 3 Ca -0.35 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.30 2hxj h GLN 3 Cb 1.18 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.82 2hxj h GLN 3 CO 0.54 0.38 0.06 1.49 -0.67 0.00 0.00 178.83 180.63 2hxj h GLU 4 N 0.60 0.39 -0.58 1.46 4.81 -2.01 -1.57 114.58 117.68 2hxj h GLU 4 Ca 0.41 -0.10 -0.09 0.00 -0.13 0.00 0.00 59.36 59.46 2hxj h GLU 4 Cb 0.74 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.05 2hxj h GLU 4 CO -0.17 0.50 0.01 1.15 -0.73 0.00 0.00 179.01 179.77 2hxj h THR 5 N 0.22 1.26 -0.67 0.32 2.02 -1.84 -2.24 112.91 111.98 2hxj h THR 5 Ca 0.08 -1.11 -0.08 0.00 0.77 0.00 0.00 66.41 66.06 2hxj h THR 5 Cb 0.28 0.80 -0.03 0.00 -1.74 0.00 0.00 68.15 67.47 2hxj h THR 5 CO 0.00 0.40 0.09 0.00 0.37 0.00 0.00 175.52 176.39 2hxj h ALA 6 N 1.08 0.90 0.00 6.16 0.00 -1.26 -2.06 119.26 124.07 2hxj h ALA 6 Ca 0.17 -0.28 -0.13 0.00 0.00 0.00 0.00 54.91 54.67 2hxj h ALA 6 Cb 0.52 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2hxj h ALA 6 CO 0.03 0.67 -0.61 1.37 0.00 0.00 0.00 179.25 180.71 2hxj h LEU 7 N 1.04 0.00 -1.53 0.00 -0.00 -1.06 -1.36 115.31 112.40 2hxj h LEU 7 Ca 0.20 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 58.06 2hxj h LEU 7 Cb 0.46 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.11 2hxj h LEU 7 CO 0.02 0.61 0.09 1.23 -0.00 0.00 0.00 178.44 180.39 2hxj h GLY 8 N 1.87 0.43 1.83 0.17 0.00 -1.10 0.53 103.07 106.79 2hxj h GLY 8 Ca -0.01 -0.20 -0.24 0.00 0.00 0.00 0.00 47.33 46.89 2hxj h GLY 8 CO 0.08 0.19 -1.11 0.00 0.00 0.00 0.00 176.54 175.70 2hxj h ALA 9 N 1.70 0.24 -0.34 3.60 0.00 -0.75 -1.72 119.26 121.99 2hxj h ALA 9 Ca 0.10 -0.89 -0.12 0.00 0.00 0.00 0.00 54.91 54.00 2hxj h ALA 9 Cb 0.12 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2hxj h ALA 9 CO -0.01 1.11 -0.27 0.00 0.00 0.00 0.00 179.25 180.09 2hxj h ALA 10 N 0.81 0.89 -0.35 0.00 0.00 -0.10 -1.64 119.26 118.87 2hxj h ALA 10 Ca -0.07 -0.38 -0.17 0.00 0.00 0.00 0.00 54.91 54.29 2hxj h ALA 10 Cb 1.86 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.50 2hxj h ALA 10 CO 0.16 0.62 -0.44 -0.07 0.00 0.00 0.00 179.25 179.53 2hxj h LEU 11 N 0.60 0.97 0.60 0.00 3.38 0.05 -2.66 115.31 118.25 2hxj h LEU 11 Ca 0.08 -0.47 -0.03 0.00 0.09 0.00 0.00 57.88 57.55 2hxj h LEU 11 Cb 0.77 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 41.25 2hxj h LEU 11 CO 0.06 1.27 -0.29 0.50 0.09 0.00 0.00 178.44 180.07 2hxj h LYS 12 N 0.72 -0.78 0.00 1.13 3.64 -1.06 -0.05 116.57 120.17 2hxj h LYS 12 Ca 0.05 0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.45 2hxj h LYS 12 Cb 1.04 0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 33.03 2hxj h LYS 12 CO 0.10 -0.50 -0.12 0.66 -2.27 0.00 0.00 179.45 177.32 2hxj h SER 13 N -0.84 0.00 0.33 4.20 4.64 -1.37 -0.73 113.55 119.79 2hxj h SER 13 Ca -0.08 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.07 2hxj h SER 13 Cb 0.63 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.71 2hxj h SER 13 CO 0.14 0.12 -0.70 0.00 -0.87 0.00 0.00 176.83 175.52 2hxj h ALA 14 N 1.88 0.68 -0.20 5.18 0.00 -1.21 -3.14 119.26 122.45 2hxj h ALA 14 Ca -0.00 -0.60 -0.14 0.00 0.00 0.00 0.00 54.91 54.17 2hxj h ALA 14 Cb 0.26 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2hxj h ALA 14 CO 0.02 0.77 -0.43 0.28 0.00 0.00 0.00 179.25 179.89 2hxj h VAL 15 N 0.22 1.32 0.00 0.00 2.07 0.29 -3.12 116.25 117.04 2hxj h VAL 15 Ca -0.02 -1.66 0.00 0.00 0.82 0.00 0.00 66.70 65.84 2hxj h VAL 15 Cb 1.25 1.88 0.00 0.00 -1.52 0.00 0.00 31.29 32.90 2hxj h VAL 15 CO 0.11 0.52 0.00 0.00 0.02 0.00 0.00 177.57 178.22 2hxj n GLN 16 N -4.22 0.41 -0.03 1.57 6.02 -0.41 -4.78 117.38 115.95 2hxj n GLN 16 Ca -0.06 0.00 0.10 0.00 -0.01 0.00 0.00 57.00 57.03 2hxj n GLN 16 Cb 0.55 -1.40 0.50 0.00 1.02 0.00 0.00 30.24 30.92 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 -0.90 0.07 -3.86 5.09 -2.24 -1.18 -5.09 114.28 106.17 2hxj n THR 17 Ca 0.08 -0.12 -0.34 0.00 -2.27 0.00 0.00 64.05 61.40 2hxj n THR 17 Cb 0.04 -0.06 -0.05 0.00 -2.10 0.00 0.00 70.33 68.15 2hxj n THR 17 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2hxj s SER 19 N -1.60 6.41 0.35 3.42 0.15 -1.26 -5.18 113.70 116.00 2hxj s SER 19 Ca 0.30 0.42 0.07 0.00 0.70 0.00 0.00 55.95 57.43 2hxj s SER 19 Cb 0.15 -2.03 0.75 0.00 -1.71 0.00 0.00 66.02 63.18 2hxj s SER 19 CO 0.24 0.25 1.90 0.11 1.20 0.00 0.00 173.24 176.94 2hxj h LYS 20 N 3.84 0.74 -0.36 5.44 1.57 -1.99 0.11 116.57 125.92 2hxj h LYS 20 Ca -0.49 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.17 2hxj h LYS 20 Cb 1.19 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.32 2hxj h LYS 20 CO 0.68 0.49 -0.05 -0.22 -0.57 0.00 0.00 179.45 179.78 2hxj h LYS 21 N 0.76 0.68 -0.67 3.15 3.64 -2.03 -2.25 116.57 119.85 2hxj h LYS 21 Ca 0.40 -0.24 -0.06 0.00 -1.27 0.00 0.00 60.65 59.48 2hxj h LYS 21 Cb 0.51 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.25 2hxj h LYS 21 CO -0.17 0.82 0.18 -0.22 -2.27 0.00 0.00 179.45 177.79 2hxj h LYS 22 N 0.48 1.05 -0.39 1.90 1.63 -1.75 -2.30 116.57 117.19 2hxj h LYS 22 Ca 0.10 -0.23 -0.07 0.00 -0.85 0.00 0.00 60.65 59.60 2hxj h LYS 22 Cb 0.54 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 32.01 2hxj h LYS 22 CO 0.03 0.92 -0.01 0.37 -3.45 0.00 0.00 179.45 177.31 2hxj h GLN 23 N 1.01 0.70 -0.71 1.90 4.15 -0.65 -3.11 115.11 118.39 2hxj h GLN 23 Ca 0.22 -0.23 -0.07 0.00 0.77 0.00 0.00 58.65 59.34 2hxj h GLN 23 Cb 0.33 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 27.93 2hxj h GLN 23 CO -0.00 0.80 0.18 0.00 -1.93 0.00 0.00 178.83 177.87 2hxj h THR 24 N 0.52 1.26 0.00 2.39 1.03 -1.19 -0.86 112.91 116.06 2hxj h THR 24 Ca 0.11 -0.96 0.00 0.00 -0.01 0.00 0.00 66.41 65.55 2hxj h THR 24 Cb 0.49 0.53 0.00 0.00 -1.07 0.00 0.00 68.15 68.10 2hxj h THR 24 CO 0.02 0.37 0.00 -1.84 -0.01 0.00 0.00 175.52 174.06 2hxj n GLU 25 N -4.23 0.51 0.00 0.00 0.28 -0.89 -1.72 120.64 114.59 2hxj n GLU 25 Ca 0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.05 2hxj n GLU 25 Cb 0.26 -1.25 0.00 0.00 1.43 0.00 0.00 31.44 31.88 2hxj n GLU 25 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 2hxj n ILE 27 N 1.21 0.00 -0.05 3.84 5.41 -0.33 -2.13 119.36 127.32 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 0.25 0.00 -0.04 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 0.25 -0.94 -1.39 0.00 -1.60 -0.85 119.26 114.73 2hxj h ALA 28 Ca 0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2hxj h ALA 28 Cb 0.00 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 2hxj h ALA 28 CO 0.00 -0.17 0.56 0.22 0.00 0.00 0.00 179.25 179.85 2hxj h ASP 29 N 0.17 1.14 -0.08 0.00 3.58 -1.71 0.91 116.42 120.42 2hxj h ASP 29 Ca 0.06 -0.07 -0.01 0.00 0.42 0.00 0.00 57.03 57.43 2hxj h ASP 29 Cb 0.15 -0.29 -0.00 0.00 1.72 0.00 0.00 39.33 40.91 2hxj h ASP 29 CO -0.01 0.88 0.03 -0.74 -2.88 0.00 0.00 179.24 176.52 2hxj h HIS 30 N 1.30 0.13 -0.26 0.28 2.76 -1.78 -0.82 115.15 116.75 2hxj h HIS 30 Ca 0.34 -0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.45 2hxj h HIS 30 Cb -0.04 -0.04 -0.01 0.00 1.55 0.00 0.00 27.41 28.87 2hxj h HIS 30 CO 0.01 0.28 -0.01 0.82 -1.30 0.00 0.00 177.93 177.73 2hxj h ILE 31 N -0.05 1.26 -0.08 6.26 2.04 -0.89 -0.04 117.51 126.00 2hxj h ILE 31 Ca 0.03 -0.94 -0.07 0.00 1.00 0.00 0.00 64.86 64.88 2hxj h ILE 31 Cb 0.21 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 2hxj h ILE 31 CO -0.00 0.30 -0.29 1.88 0.00 0.00 0.00 178.15 180.03 2hxj h TYR 32 N 0.25 0.15 0.00 1.37 -1.99 -0.82 -0.55 116.97 115.39 2hxj h TYR 32 Ca 0.07 -0.03 -0.21 0.00 2.00 0.00 0.00 58.73 60.56 2hxj h TYR 32 Cb 0.43 -0.04 -0.03 0.00 2.00 0.00 0.00 36.73 39.10 2hxj h TYR 32 CO 0.04 0.42 -1.03 0.78 -0.00 0.00 0.00 178.16 178.37 2hxj h GLY 33 N 0.99 0.01 0.53 3.88 0.00 -0.93 -3.37 103.07 104.17 2hxj h GLY 33 Ca 0.02 -0.02 -0.20 0.00 0.00 0.00 0.00 47.33 47.13 2hxj h GLY 33 CO 0.04 0.02 -1.80 1.17 0.00 0.00 0.00 176.54 175.97 2hxj n LYS 34 N -3.34 0.65 -4.25 4.80 4.81 -0.05 -4.93 118.16 115.84 2hxj n LYS 34 Ca -0.01 0.08 -0.33 0.00 -0.87 0.00 0.00 58.31 57.18 2hxj n LYS 34 Cb 0.95 -1.67 -0.16 0.00 0.02 0.00 0.00 35.03 34.16 2hxj n LYS 34 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 2hxj s TYR 35 N -2.91 2.79 0.30 5.64 1.51 -0.23 -5.01 117.35 119.44 2hxj s TYR 35 Ca -0.06 -1.39 -0.01 0.00 -1.01 0.00 0.00 57.07 54.60 2hxj s TYR 35 Cb 0.09 -1.92 0.45 0.00 -0.11 0.00 0.00 41.96 40.46 2hxj s TYR 35 CO 0.84 -0.68 1.93 -0.44 -1.11 0.00 0.00 175.55 176.08 2hxj h ASP 36 N 7.76 0.87 -0.14 2.29 3.45 -1.87 -2.13 116.42 126.64 2hxj h ASP 36 Ca -0.41 -0.06 0.04 0.00 0.43 0.00 0.00 57.03 57.03 2hxj h ASP 36 Cb 1.16 -0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 39.70 2hxj h ASP 36 CO 0.61 0.70 0.11 -0.37 -1.57 0.00 0.00 179.24 178.71 2hxj h VAL 37 N 0.99 0.88 0.03 -1.35 -1.51 -1.87 0.14 116.25 113.56 2hxj h VAL 37 Ca 0.25 0.00 -0.07 0.00 -1.23 0.00 0.00 66.70 65.66 2hxj h VAL 37 Cb 0.01 0.92 0.00 0.00 -2.13 0.00 0.00 31.29 30.10 2hxj h VAL 37 CO -0.04 0.00 -0.32 -0.26 -1.23 0.00 0.00 177.57 175.71 2hxj h PHE 38 N 0.00 0.12 -0.61 5.19 -1.00 -1.73 -2.02 116.94 116.90 2hxj h PHE 38 Ca 0.07 -0.09 -0.02 0.00 2.81 0.00 0.00 57.97 60.74 2hxj h PHE 38 Cb 0.28 -0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.81 2hxj h PHE 38 CO 0.00 1.13 0.28 -0.22 -1.61 0.00 0.00 178.31 177.89 2hxj h LYS 39 N -0.85 0.86 -0.22 1.51 3.64 -1.09 -2.28 116.57 118.13 2hxj h LYS 39 Ca -0.07 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 2hxj h LYS 39 Cb 1.18 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.84 2hxj h LYS 39 CO 0.01 0.67 0.00 0.54 -2.27 0.00 0.00 179.45 178.40 2hxj n ARG 40 N -4.35 1.76 -3.88 1.90 1.74 0.46 -4.96 116.66 109.33 2hxj n ARG 40 Ca 0.05 -1.16 -0.26 0.00 -0.77 0.00 0.00 57.85 55.72 2hxj n ARG 40 Cb 0.14 -1.37 -0.00 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 0.39 -1.72 -3.46 -1.55 3.01 -0.86 -4.99 117.46 108.28 2hxj n PHE 41 Ca 0.15 0.72 -0.36 0.00 1.01 0.00 0.00 57.45 58.97 2hxj n PHE 41 Cb 0.33 -3.80 -0.06 0.00 -0.01 0.00 0.00 39.48 35.93 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 -6.39 3.91 0.12 -1.08 1.02 -0.78 -4.75 119.74 111.79 2hxj s LYS 42 Ca 0.07 0.38 -0.34 0.00 0.02 0.00 0.00 55.97 56.10 2hxj s LYS 42 Cb -0.02 -3.06 -0.13 0.00 -0.52 0.00 0.00 37.83 34.09 2hxj s LYS 42 CO 0.87 0.58 1.63 -2.30 -0.92 0.00 0.00 175.35 175.21 2hxj n PRO 43 N 1.19 2.15 -3.09 -1.68 -0.02 -1.26 -4.85 135.00 127.43 2hxj n PRO 43 Ca -0.09 0.78 -0.35 0.00 -2.02 0.00 0.00 63.50 61.82 2hxj n PRO 43 Cb 0.52 -2.56 -0.06 0.00 -0.02 0.00 0.00 33.50 31.38 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 1.48 4.27 0.44 2.45 1.43 -1.26 0.03 118.68 127.53 2hxj s LEU 44 Ca 0.81 1.41 -0.24 0.00 -1.03 0.00 0.00 54.13 55.08 2hxj s LEU 44 Cb -0.68 -3.72 -0.10 0.00 0.03 0.00 0.00 46.19 41.72 2hxj s LEU 44 CO 0.40 -0.03 1.07 0.00 0.23 0.00 0.00 176.35 178.03 2hxj n ALA 45 N 0.46 0.47 -1.77 4.21 0.00 0.19 -4.57 120.51 119.50 2hxj n ALA 45 Ca -0.01 0.21 -0.40 0.00 0.00 0.00 0.00 53.44 53.24 2hxj n ALA 45 Cb 0.52 -2.13 0.01 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 -1.02 4.20 -0.33 0.00 1.43 -1.26 -2.80 118.68 118.90 2hxj s LEU 46 Ca 0.64 2.87 0.00 0.00 -1.03 0.00 0.00 54.13 56.61 2hxj s LEU 46 Cb -0.53 -3.85 0.00 0.00 0.03 0.00 0.00 46.19 41.84 2hxj s LEU 46 CO 0.56 -0.99 0.00 0.61 0.23 0.00 0.00 176.35 176.76 2hxj n GLY 47 N 0.59 0.60 0.00 -3.19 0.00 -1.26 -4.87 105.19 97.05 2hxj n GLY 47 Ca 0.03 -0.93 0.10 0.00 0.00 0.00 0.00 46.02 45.22 2hxj n GLY 47 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2hxj n ILE 48 N -2.96 0.49 -0.00 -0.61 3.06 -1.12 -2.09 119.36 116.12 2hxj n ILE 48 Ca -0.03 0.12 -0.14 0.00 -2.50 0.00 0.00 62.75 60.21 2hxj n ILE 48 Cb 0.12 -0.79 -0.02 0.00 0.54 0.00 0.00 39.64 39.50 2hxj n ILE 48 CO 0.00 0.00 0.00 -2.24 -2.50 0.00 0.00 176.55 171.81 2hxj h ASP 49 N 0.00 0.76 -0.04 9.51 3.04 -1.89 -2.08 116.42 125.72 2hxj h ASP 49 Ca 0.00 -0.47 -0.13 0.00 -3.24 0.00 0.00 57.03 53.19 2hxj h ASP 49 Cb 0.25 -0.22 -0.01 0.00 -1.04 0.00 0.00 39.33 38.31 2hxj h ASP 49 CO 0.00 1.24 -0.39 1.56 -2.04 0.00 0.00 179.24 179.61 2hxj h GLN 50 N 0.46 0.56 -0.49 4.15 1.08 -1.82 -0.40 115.11 118.64 2hxj h GLN 50 Ca -0.03 -0.28 -0.09 0.00 -1.45 0.00 0.00 58.65 56.80 2hxj h GLN 50 Cb 1.30 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.71 2hxj h GLN 50 CO 0.14 0.86 -0.07 -0.44 -0.95 0.00 0.00 178.83 178.36 2hxj h ASP 51 N 0.46 0.87 0.27 1.46 3.32 -1.52 -0.81 116.42 120.46 2hxj h ASP 51 Ca 0.04 -0.25 -0.25 0.00 0.02 0.00 0.00 57.03 56.59 2hxj h ASP 51 Cb 0.89 -0.23 0.01 0.00 0.22 0.00 0.00 39.33 40.21 2hxj h ASP 51 CO 0.08 0.97 -1.02 0.25 -1.72 0.00 0.00 179.24 177.80 2hxj h LEU 52 N 0.80 0.64 -0.33 1.55 5.85 -1.20 -1.89 115.31 120.74 2hxj h LEU 52 Ca 0.14 -0.54 -0.06 0.00 0.84 0.00 0.00 57.88 58.26 2hxj h LEU 52 Cb 0.58 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 2hxj h LEU 52 CO 0.04 1.34 -0.02 0.40 -0.34 0.00 0.00 178.44 179.86 2hxj h ILE 53 N 0.26 1.26 -0.54 4.05 2.04 -0.85 -2.35 117.51 121.39 2hxj h ILE 53 Ca -0.11 -1.00 -0.00 0.00 1.00 0.00 0.00 64.86 64.75 2hxj h ILE 53 Cb 1.67 1.26 -0.03 0.00 -0.74 0.00 0.00 36.82 38.98 2hxj h ILE 53 CO 0.18 0.33 0.32 0.00 0.00 0.00 0.00 178.15 178.98 2hxj h ALA 54 N 0.84 0.69 0.00 1.87 0.00 -1.09 -3.07 119.26 118.50 2hxj h ALA 54 Ca 0.09 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2hxj h ALA 54 Cb 0.47 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2hxj h ALA 54 CO 0.02 0.18 0.00 0.00 0.00 0.00 0.00 179.25 179.45 2hxj h ALA 55 N 1.15 1.00 -2.07 0.00 0.00 -1.23 -3.33 119.26 114.78 2hxj h ALA 55 Ca 0.19 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.54 2hxj h ALA 55 Cb -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 17.39 2hxj h ALA 55 CO -0.04 0.00 -0.94 1.28 0.00 0.00 0.00 179.25 179.56 2hxj n LEU 56 N -2.35 1.57 0.20 0.00 4.77 -0.89 -4.97 117.00 115.34 2hxj n LEU 56 Ca 0.04 -5.01 0.12 0.00 -0.03 0.00 0.00 56.01 51.12 2hxj n LEU 56 Cb 0.34 0.19 0.69 0.00 -2.33 0.00 0.00 43.42 42.31 2hxj n LEU 56 CO 0.26 2.11 1.10 -0.65 -1.33 0.00 0.00 177.39 178.88 2hxj h PRO 57 N 3.87 0.00 0.00 3.23 0.11 -1.68 -2.74 132.00 134.79 2hxj h PRO 57 Ca 0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.23 2hxj h PRO 57 Cb 0.80 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.91 2hxj h PRO 57 CO 0.60 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.39 2hxj n GLN 58 N -4.39 0.12 -4.13 1.05 0.00 -1.26 -4.80 117.38 103.97 2hxj n GLN 58 Ca 0.00 0.47 -0.28 0.00 0.00 0.00 0.00 57.00 57.18 2hxj n GLN 58 Cb 0.22 -1.79 -0.07 0.00 0.00 0.00 0.00 30.24 28.59 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 -3.30 3.01 -0.09 2.61 4.12 -1.04 -4.36 117.35 118.31 2hxj s TYR 59 Ca 0.02 -0.04 -0.29 0.00 0.02 0.00 0.00 57.07 56.78 2hxj s TYR 59 Cb 0.07 -1.50 -0.06 0.00 -1.52 0.00 0.00 41.96 38.95 2hxj s TYR 59 CO 0.27 0.50 1.82 0.34 0.02 0.00 0.00 175.55 178.50 2hxj s ASP 60 N -2.65 6.35 0.41 2.29 -1.08 -1.26 -4.88 116.67 115.84 2hxj s ASP 60 Ca 0.28 2.16 0.16 0.00 -0.52 0.00 0.00 52.55 54.63 2hxj s ASP 60 Cb -0.11 -2.53 1.04 0.00 -1.46 0.00 0.00 42.92 39.87 2hxj s ASP 60 CO 0.20 -1.20 1.86 0.00 0.52 0.00 0.00 175.17 176.54 2hxj h ALA 61 N 10.98 2.14 -0.14 3.66 0.00 -1.95 0.09 119.26 134.04 2hxj h ALA 61 Ca -0.41 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.39 2hxj h ALA 61 Cb 1.20 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 2hxj h ALA 61 CO 0.96 -0.42 -0.48 0.00 0.00 0.00 0.00 179.25 179.32 2hxj h ALA 62 N 1.61 0.93 0.00 0.00 0.00 -2.00 -2.43 119.26 117.39 2hxj h ALA 62 Ca 0.46 -0.46 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 2hxj h ALA 62 Cb 1.09 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 2hxj h ALA 62 CO -0.18 0.65 -0.81 -0.07 0.00 0.00 0.00 179.25 178.84 2hxj h LEU 63 N 0.28 0.00 -0.50 0.00 3.38 -1.41 -2.31 115.31 114.75 2hxj h LEU 63 Ca 0.02 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 2hxj h LEU 63 Cb 0.95 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.67 2hxj h LEU 63 CO 0.08 0.81 0.21 0.40 0.09 0.00 0.00 178.44 180.03 2hxj h ILE 64 N 0.00 1.20 -0.52 1.22 1.08 -1.03 -1.36 117.51 118.11 2hxj h ILE 64 Ca -0.01 -0.61 -0.02 0.00 -0.39 0.00 0.00 64.86 63.83 2hxj h ILE 64 Cb 1.55 0.69 -0.03 0.00 -3.07 0.00 0.00 36.82 35.96 2hxj h ILE 64 CO 0.10 0.23 0.23 0.00 -0.69 0.00 0.00 178.15 178.03 2hxj h ALA 65 N 1.06 1.43 -0.17 1.87 0.00 -1.35 -0.88 119.26 121.22 2hxj h ALA 65 Ca 0.17 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 2hxj h ALA 65 Cb 0.16 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 2hxj h ALA 65 CO -0.02 0.44 -0.13 -0.09 0.00 0.00 0.00 179.25 179.46 2hxj h ARG 66 N 0.73 0.38 -0.25 0.00 2.43 -0.96 -1.30 114.38 115.42 2hxj h ARG 66 Ca 0.18 -0.19 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 2hxj h ARG 66 Cb 0.11 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 2hxj h ARG 66 CO -0.02 0.73 0.14 0.28 -1.51 0.00 0.00 179.97 179.58 2hxj h VAL 67 N 0.03 1.12 -0.66 0.20 2.07 -0.86 0.18 116.25 118.34 2hxj h VAL 67 Ca 0.03 -0.32 0.04 0.00 0.82 0.00 0.00 66.70 67.27 2hxj h VAL 67 Cb 0.64 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 31.24 2hxj h VAL 67 CO 0.03 0.12 0.39 0.25 0.02 0.00 0.00 177.57 178.39 2hxj h LEU 68 N 0.29 0.63 -0.94 2.57 5.85 -1.20 0.23 115.31 122.74 2hxj h LEU 68 Ca 0.09 0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.74 2hxj h LEU 68 Cb 0.07 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 2hxj h LEU 68 CO -0.01 0.43 -0.01 0.00 -0.34 0.00 0.00 178.44 178.51 2hxj h ALA 69 N 1.30 1.12 -0.24 1.25 0.00 -0.74 -0.55 119.26 121.41 2hxj h ALA 69 Ca 0.27 -0.26 -0.19 0.00 0.00 0.00 0.00 54.91 54.73 2hxj h ALA 69 Cb 0.07 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2hxj h ALA 69 CO -0.13 0.56 -0.62 -0.91 0.00 0.00 0.00 179.25 178.16 2hxj h ASN 70 N 0.72 0.91 -0.14 0.00 -0.26 0.16 -3.00 115.58 113.97 2hxj h ASN 70 Ca 0.14 -0.52 0.00 0.00 -0.56 0.00 0.00 56.30 55.36 2hxj h ASN 70 Cb 0.45 -0.26 -0.01 0.00 -1.06 0.00 0.00 38.32 37.44 2hxj h ASN 70 CO 0.02 1.31 0.09 -0.74 -1.06 0.00 0.00 177.43 177.05 2hxj h HIS 71 N 0.60 0.18 0.00 1.19 2.76 -0.25 -2.92 115.15 116.70 2hxj h HIS 71 Ca -0.01 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2hxj h HIS 71 Cb 1.22 -0.06 0.00 0.00 1.55 0.00 0.00 27.41 30.12 2hxj h HIS 71 CO 0.07 0.13 0.00 0.00 -1.30 0.00 0.00 177.93 176.83 2hxj n ARG 73 N -1.58 1.80 -2.27 0.00 1.85 -1.11 -4.59 116.66 110.76 2hxj n ARG 73 Ca 0.03 -1.76 -0.38 0.00 -1.00 0.00 0.00 57.85 54.74 2hxj n ARG 73 Cb 0.14 -1.37 -0.02 0.00 -1.05 0.00 0.00 32.46 30.16 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 -1.44 3.98 0.35 2.89 0.52 -0.69 -4.88 118.95 119.68 2hxj s ARG 74 Ca 0.25 1.84 0.10 0.00 -0.52 0.00 0.00 55.73 57.40 2hxj s ARG 74 Cb 0.16 -2.62 0.85 0.00 0.52 0.00 0.00 34.95 33.87 2hxj s ARG 74 CO 0.24 -0.39 1.84 -1.35 0.02 0.00 0.00 175.30 175.66 2hxj h PRO 75 N 2.50 0.64 -0.38 3.54 0.11 -1.95 -1.99 132.00 134.48 2hxj h PRO 75 Ca -0.49 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.57 2hxj h PRO 75 Cb 1.24 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 2hxj h PRO 75 CO 0.62 0.42 0.18 0.00 -0.21 0.00 0.00 178.00 179.01 2hxj h ARG 76 N 0.66 0.52 -0.14 1.05 3.08 -1.93 -1.64 114.38 115.97 2hxj h ARG 76 Ca 0.49 -0.06 -0.13 0.00 0.07 0.00 0.00 59.98 60.36 2hxj h ARG 76 Cb 0.88 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.83 2hxj h ARG 76 CO -0.25 0.41 -0.42 -0.92 -1.07 0.00 0.00 179.97 177.72 2hxj h TYR 77 N 0.52 0.70 -0.62 3.04 3.20 -1.63 -1.63 116.97 120.55 2hxj h TYR 77 Ca 0.13 -0.28 -0.03 0.00 3.14 0.00 0.00 58.73 61.70 2hxj h TYR 77 Cb 0.06 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.18 2hxj h TYR 77 CO 0.00 1.04 0.28 -0.07 -1.64 0.00 0.00 178.16 177.77 2hxj h LEU 78 N 0.17 0.81 -1.09 2.82 -0.00 -1.37 0.65 115.31 117.29 2hxj h LEU 78 Ca -0.01 -0.09 -0.08 0.00 -0.00 0.00 0.00 57.88 57.69 2hxj h LEU 78 Cb 1.04 -0.21 -0.01 0.00 -0.00 0.00 0.00 40.66 41.48 2hxj h LEU 78 CO 0.09 0.70 -0.28 0.11 -0.00 0.00 0.00 178.44 179.06 2hxj h LYS 79 N 0.89 0.30 -0.36 1.13 1.57 -1.20 0.22 116.57 119.11 2hxj h LYS 79 Ca 0.22 -0.11 -0.15 0.00 -1.87 0.00 0.00 60.65 58.73 2hxj h LYS 79 Cb 0.12 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 2hxj h LYS 79 CO -0.03 0.56 -0.37 0.00 -0.57 0.00 0.00 179.45 179.04 2hxj h ALA 80 N 1.45 0.53 -0.23 3.86 0.00 -0.25 0.17 119.26 124.79 2hxj h ALA 80 Ca 0.04 -0.45 -0.13 0.00 0.00 0.00 0.00 54.91 54.38 2hxj h ALA 80 Cb 0.63 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2hxj h ALA 80 CO 0.05 0.62 -0.38 -0.07 0.00 0.00 0.00 179.25 179.46 2hxj h LEU 81 N 0.68 0.55 -0.78 0.00 3.38 -0.37 -1.81 115.31 116.98 2hxj h LEU 81 Ca 0.05 -0.24 -0.11 0.00 0.09 0.00 0.00 57.88 57.67 2hxj h LEU 81 Cb 0.97 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 2hxj h LEU 81 CO 0.09 0.88 -0.30 0.00 0.09 0.00 0.00 178.44 179.20 2hxj h ALA 82 N 1.15 0.95 -0.36 1.53 0.00 -0.21 -1.71 119.26 120.61 2hxj h ALA 82 Ca 0.04 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 2hxj h ALA 82 Cb 0.87 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 2hxj h ALA 82 CO 0.07 0.61 0.09 -0.09 0.00 0.00 0.00 179.25 179.93 2hxj h ARG 83 N 0.50 0.52 0.00 0.00 2.43 -0.38 -3.46 114.38 113.98 2hxj h ARG 83 Ca 0.06 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2hxj h ARG 83 Cb 0.77 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.23 2hxj h ARG 83 CO 0.06 0.48 0.00 0.41 -1.51 0.00 0.00 179.97 179.41 2hxj n GLY 84 N -1.08 -1.67 4.43 2.80 0.00 -0.64 -5.06 105.19 103.97 2hxj n GLY 84 Ca 0.02 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.60 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 -0.82 3.77 -0.02 0.00 -1.26 -4.89 105.19 101.97 2hxj n GLY 85 Ca 0.00 -1.45 -0.33 0.00 0.00 0.00 0.00 46.02 44.24 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 2.75 0.23 1.61 -0.14 -1.26 -0.63 119.74 122.30 2hxj s LYS 86 Ca 0.00 1.40 0.08 0.00 -1.36 0.00 0.00 55.97 56.09 2hxj s LYS 86 Cb 0.00 -1.94 -0.04 0.00 -1.68 0.00 0.00 37.83 34.17 2hxj s LYS 86 CO 0.00 -1.29 0.09 1.03 -0.76 0.00 0.00 175.35 174.42 2hxj s ARG 87 N -4.11 2.64 0.08 1.68 0.52 -0.56 -4.52 118.95 114.67 2hxj s ARG 87 Ca 0.67 -1.15 0.07 0.00 -0.52 0.00 0.00 55.73 54.81 2hxj s ARG 87 Cb -0.21 -2.42 -0.03 0.00 0.52 0.00 0.00 34.95 32.82 2hxj s ARG 87 CO 0.42 0.41 -0.20 -0.06 0.02 0.00 0.00 175.30 175.90 2hxj s PHE 88 N -2.06 1.69 1.03 -0.53 0.08 0.10 0.04 117.98 118.34 2hxj s PHE 88 Ca 0.31 -0.40 -0.15 0.00 0.12 0.00 0.00 56.93 56.81 2hxj s PHE 88 Cb -0.08 -0.96 0.21 0.00 -0.57 0.00 0.00 43.02 41.62 2hxj s PHE 88 CO 0.22 0.14 1.15 -0.51 -0.10 0.00 0.00 175.22 176.12 2hxj s ASP 89 N -1.59 2.44 0.41 1.36 1.01 0.48 -0.64 116.67 120.14 2hxj s ASP 89 Ca 0.05 0.80 0.21 0.00 0.71 0.00 0.00 52.55 54.32 2hxj s ASP 89 Cb -0.09 -1.21 0.86 0.00 1.01 0.00 0.00 42.92 43.48 2hxj s ASP 89 CO 0.03 -3.20 1.81 -0.07 0.21 0.00 0.00 175.17 173.95 2hxj h LEU 90 N -1.95 0.00 0.00 1.23 3.38 -1.98 -3.37 115.31 112.62 2hxj h LEU 90 Ca -0.49 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.12 2hxj h LEU 90 Cb 1.31 0.00 0.12 0.00 0.09 0.00 0.00 40.66 42.18 2hxj h LEU 90 CO 0.49 0.30 0.27 0.59 0.09 0.00 0.00 178.44 180.17 2hxj n ASN 91 N -3.54 0.39 -3.39 -0.43 5.03 -1.26 -4.75 115.26 107.30 2hxj n ASN 91 Ca -0.00 -1.55 -0.39 0.00 0.87 0.00 0.00 54.58 53.50 2hxj n ASN 91 Cb 0.44 -0.74 0.02 0.00 -1.02 0.00 0.00 39.78 38.48 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 -3.47 7.08 -4.51 6.41 2.85 -1.26 -4.87 115.26 117.49 2hxj n ASN 92 Ca 0.14 -3.72 -0.28 0.00 -0.11 0.00 0.00 54.58 50.61 2hxj n ASN 92 Cb 0.47 -1.07 -0.10 0.00 1.24 0.00 0.00 39.78 40.32 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 -4.19 1.86 0.19 1.20 0.52 -1.26 -4.89 118.95 112.37 2hxj s ARG 93 Ca 0.43 -1.28 -0.32 0.00 -0.52 0.00 0.00 55.73 54.03 2hxj s ARG 93 Cb 0.26 -2.09 -0.12 0.00 0.52 0.00 0.00 34.95 33.52 2hxj s ARG 93 CO -0.19 0.45 1.70 1.19 0.02 0.00 0.00 175.30 178.46 2hxj n PHE 94 N 0.37 2.62 -3.30 -0.53 3.72 -1.26 -0.39 117.46 118.69 2hxj n PHE 94 Ca -0.13 0.08 -0.16 0.00 -0.05 0.00 0.00 57.45 57.19 2hxj n PHE 94 Cb 0.54 -2.65 -0.07 0.00 -0.94 0.00 0.00 39.48 36.37 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 1.25 0.73 1.13 -1.08 2.20 0.11 -4.81 119.74 119.27 2hxj s LYS 95 Ca 0.77 -1.02 0.00 0.00 -0.36 0.00 0.00 55.97 55.36 2hxj s LYS 95 Cb -0.55 -0.71 0.00 0.00 -1.51 0.00 0.00 37.83 35.06 2hxj s LYS 95 CO 0.34 -1.23 0.00 0.41 -0.36 0.00 0.00 175.35 174.51 2hxj n GLY 96 N 3.94 -1.83 3.55 5.54 0.00 -1.26 -4.37 105.19 110.76 2hxj n GLY 96 Ca 0.14 -1.52 -0.09 0.00 0.00 0.00 0.00 46.02 44.55 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 1.45 -0.31 1.61 1.03 -1.26 -1.50 118.70 119.72 2hxj s GLU 97 Ca 0.00 -1.10 -0.25 0.00 0.03 0.00 0.00 54.97 53.65 2hxj s GLU 97 Cb 0.00 0.48 0.00 0.00 -0.80 0.00 0.00 34.13 33.82 2hxj s GLU 97 CO 0.00 -0.60 0.86 0.08 -1.33 0.00 0.00 175.26 174.27 2hxj s VAL 98 N -3.96 4.72 0.81 1.83 1.01 0.20 -4.74 120.40 120.28 2hxj s VAL 98 Ca 0.17 1.32 -0.11 0.00 0.00 0.00 0.00 61.98 63.36 2hxj s VAL 98 Cb -0.01 -4.21 0.08 0.00 0.00 0.00 0.00 36.38 32.24 2hxj s VAL 98 CO 0.04 -0.31 1.09 0.42 0.00 0.00 0.00 175.10 176.34 2hxj s THR 99 N 3.12 3.13 0.45 3.92 -4.23 -1.26 -4.49 115.64 116.28 2hxj s THR 99 Ca 0.36 0.37 0.15 0.00 -1.18 0.00 0.00 61.69 61.38 2hxj s THR 99 Cb -0.14 -2.94 0.33 0.00 1.34 0.00 0.00 72.50 71.09 2hxj s THR 99 CO 0.13 -0.48 2.00 -0.65 -0.54 0.00 0.00 174.62 175.08 2hxj h PRO 100 N -1.22 0.33 -0.11 3.99 0.11 -1.99 -1.94 132.00 131.17 2hxj h PRO 100 Ca -0.46 -0.02 -0.21 0.00 0.11 0.00 0.00 66.00 65.41 2hxj h PRO 100 Cb 1.25 -0.07 0.01 0.00 0.11 0.00 0.00 31.00 32.30 2hxj h PRO 100 CO 0.55 0.22 -0.77 1.49 -0.21 0.00 0.00 178.00 179.28 2hxj h GLU 101 N 0.34 0.72 0.00 1.05 4.22 -2.00 -1.38 114.58 117.53 2hxj h GLU 101 Ca 0.24 -0.62 0.00 0.00 0.08 0.00 0.00 59.36 59.06 2hxj h GLU 101 Cb 0.50 0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.89 2hxj h GLU 101 CO -0.06 1.23 0.00 1.05 -2.18 0.00 0.00 179.01 179.05 2hxj h GLU 102 N 0.42 0.00 -0.01 1.92 4.11 -1.83 -2.54 114.58 116.64 2hxj h GLU 102 Ca -0.06 0.00 -0.24 0.00 0.07 0.00 0.00 59.36 59.13 2hxj h GLU 102 Cb 1.41 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.68 2hxj h GLU 102 CO 0.16 0.00 -0.93 0.37 0.07 0.00 0.00 179.01 178.68 2hxj h GLN 103 N 0.00 0.65 -0.46 1.06 4.15 -1.12 -2.75 115.11 116.64 2hxj h GLN 103 Ca 0.00 -0.68 -0.09 0.00 0.77 0.00 0.00 58.65 58.65 2hxj h GLN 103 Cb 0.59 0.19 -0.02 0.00 0.21 0.00 0.00 27.48 28.45 2hxj h GLN 103 CO 0.00 1.28 -0.07 0.00 -1.93 0.00 0.00 178.83 178.11 2hxj h ALA 104 N 0.40 1.02 -0.23 3.38 0.00 -1.07 0.01 119.26 122.77 2hxj h ALA 104 Ca -0.11 -0.30 -0.19 0.00 0.00 0.00 0.00 54.91 54.30 2hxj h ALA 104 Cb 1.59 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.20 2hxj h ALA 104 CO 0.18 0.60 -0.62 0.82 0.00 0.00 0.00 179.25 180.23 2hxj h ILE 105 N 0.74 1.29 -0.39 0.00 2.04 -1.47 -2.30 117.51 117.42 2hxj h ILE 105 Ca 0.13 -1.83 -0.12 0.00 1.00 0.00 0.00 64.86 64.04 2hxj h ILE 105 Cb 0.54 1.77 -0.01 0.00 -0.74 0.00 0.00 36.82 38.38 2hxj h ILE 105 CO 0.03 0.59 -0.25 0.00 0.00 0.00 0.00 178.15 178.52 2hxj h ALA 106 N 0.71 0.83 0.00 1.87 0.00 -1.17 -2.77 119.26 118.73 2hxj h ALA 106 Ca -0.01 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 2hxj h ALA 106 Cb 1.23 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 2hxj h ALA 106 CO 0.13 0.64 -0.03 1.96 0.00 0.00 0.00 179.25 181.95 2hxj h GLN 107 N 0.68 0.00 -0.00 0.00 4.20 -0.75 -1.89 115.11 117.36 2hxj h GLN 107 Ca 0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.80 2hxj h GLN 107 Cb 0.78 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.56 2hxj h GLN 107 CO 0.06 0.03 -0.20 0.09 -0.67 0.00 0.00 178.83 178.14 2hxj n ASN 108 N -3.25 0.50 -4.75 1.46 3.02 -0.89 -4.66 115.26 106.68 2hxj n ASN 108 Ca -0.02 -0.39 -0.41 0.00 -0.03 0.00 0.00 54.58 53.74 2hxj n ASN 108 Cb 0.19 -0.03 -0.03 0.00 -0.61 0.00 0.00 39.78 39.30 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 -2.67 3.30 0.31 3.10 2.46 -0.71 -4.95 115.29 116.13 2hxj s HIS 109 Ca 0.22 1.45 0.05 0.00 0.47 0.00 0.00 55.06 57.25 2hxj s HIS 109 Cb 0.19 -3.52 0.69 0.00 -0.13 0.00 0.00 32.58 29.81 2hxj s HIS 109 CO 0.54 -1.41 1.84 -1.35 -2.47 0.00 0.00 174.74 171.89 2hxj h PRO 110 N 4.20 0.82 -0.60 2.88 0.11 -1.89 -2.67 132.00 134.84 2hxj h PRO 110 Ca -0.47 -0.05 0.05 0.00 0.11 0.00 0.00 66.00 65.65 2hxj h PRO 110 Cb 1.22 -0.18 -0.05 0.00 0.11 0.00 0.00 31.00 32.09 2hxj h PRO 110 CO 0.70 0.54 0.32 0.74 -0.21 0.00 0.00 178.00 180.09 2hxj h PHE 111 N 0.84 0.59 0.00 0.65 0.04 -1.95 -2.09 116.94 115.03 2hxj h PHE 111 Ca 0.49 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 61.27 2hxj h PHE 111 Cb 0.64 -0.18 -0.00 0.00 2.20 0.00 0.00 35.95 38.61 2hxj h PHE 111 CO -0.00 0.29 -0.07 0.28 -0.60 0.00 0.00 178.31 178.21 2hxj h VAL 112 N 0.61 0.35 0.00 -0.55 2.07 -1.79 -3.32 116.25 113.62 2hxj h VAL 112 Ca 0.27 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.41 2hxj h VAL 112 Cb 0.16 1.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 2hxj h VAL 112 CO -0.17 0.06 0.00 0.00 0.02 0.00 0.00 177.57 177.48 2hxj n GLN 113 N -3.44 0.12 -1.74 1.57 3.00 -0.79 -1.33 117.38 114.77 2hxj n GLN 113 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 2hxj n GLN 113 Cb 0.20 -1.37 0.01 0.00 0.00 0.00 0.00 30.24 29.09 2hxj n GLN 113 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 2hxj n GLN 114 N 0.85 0.44 0.00 -1.09 1.13 -1.25 -4.66 117.38 112.80 2hxj n GLN 114 Ca 0.00 -1.99 0.00 0.00 -1.94 0.00 0.00 57.00 53.07 2hxj n GLN 114 Cb 0.05 -0.15 0.00 0.00 0.11 0.00 0.00 30.24 30.25 2hxj n GLN 114 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2hxj n ALA 115 N -0.00 0.95 1.79 -1.58 0.00 -0.44 -5.22 120.51 116.01 2hxj n ALA 115 Ca -0.04 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.55 2hxj n ALA 115 Cb 0.96 0.00 0.77 0.00 0.00 0.00 0.00 19.45 21.18 2hxj n ALA 115 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39