#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qhd h VAL 2 N 0.00 0.54 -0.06 2.46 3.04 -1.61 0.73 116.25 121.35 2qhd h VAL 2 Ca 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.68 2qhd h VAL 2 Cb 0.00 0.67 -0.00 0.00 -2.01 0.00 0.00 31.29 29.94 2qhd h VAL 2 CO 0.00 0.00 -0.00 0.58 -1.01 0.00 0.00 177.57 177.14 2qhd h VAL 3 N 0.00 1.26 -0.41 1.51 2.07 -1.96 -0.73 116.25 117.99 2qhd h VAL 3 Ca 0.26 -0.81 -0.11 0.00 0.82 0.00 0.00 66.70 66.86 2qhd h VAL 3 Cb 1.16 1.67 -0.02 0.00 -1.52 0.00 0.00 31.29 32.59 2qhd h VAL 3 CO -0.00 0.22 -0.20 -0.33 0.02 0.00 0.00 177.57 177.28 2qhd h GLU 4 N -0.18 0.80 -0.60 1.57 3.07 -1.31 -1.54 114.58 116.38 2qhd h GLU 4 Ca 0.02 -0.31 -0.03 0.00 -0.50 0.00 0.00 59.36 58.53 2qhd h GLU 4 Cb 0.35 -0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 28.19 2qhd h GLU 4 CO 0.00 0.93 0.25 1.25 -1.40 0.00 0.00 179.01 180.04 2qhd h LEU 5 N 0.70 0.80 -0.49 1.33 5.85 -0.92 -1.40 115.31 121.18 2qhd h LEU 5 Ca 0.10 -0.10 -0.09 0.00 0.84 0.00 0.00 57.88 58.63 2qhd h LEU 5 Cb 0.71 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 2qhd h LEU 5 CO 0.05 0.71 -0.04 1.23 -0.34 0.00 0.00 178.44 180.05 2qhd h GLY 6 N 0.97 0.97 1.09 3.75 0.00 -0.70 -1.86 103.07 107.30 2qhd h GLY 6 Ca 0.21 -0.75 -0.04 0.00 0.00 0.00 0.00 47.33 46.74 2qhd h GLY 6 CO -0.02 0.69 0.32 0.50 0.00 0.00 0.00 176.54 178.03 2qhd h LYS 7 N 0.76 1.15 -0.28 4.80 1.57 -0.68 -1.51 116.57 122.39 2qhd h LYS 7 Ca 0.13 -0.20 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 2qhd h LYS 7 Cb 0.58 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 2qhd h LYS 7 CO 0.03 0.93 0.11 0.52 -0.57 0.00 0.00 179.45 180.47 2qhd h MET 8 N 1.13 0.41 -0.84 3.15 2.86 -1.12 -1.58 114.93 118.94 2qhd h MET 8 Ca 0.26 -0.07 0.03 0.00 -2.06 0.00 0.00 59.70 57.86 2qhd h MET 8 Cb 0.20 -0.07 -0.05 0.00 0.06 0.00 0.00 31.60 31.74 2qhd h MET 8 CO -0.02 0.43 0.54 0.82 1.06 0.00 0.00 176.91 179.74 2qhd h ILE 9 N 0.30 1.15 0.29 -1.22 1.08 -1.04 -0.39 117.51 117.68 2qhd h ILE 9 Ca 0.09 -0.37 -0.01 0.00 -0.39 0.00 0.00 64.86 64.18 2qhd h ILE 9 Cb 0.17 -0.01 0.00 0.00 -3.07 0.00 0.00 36.82 33.91 2qhd h ILE 9 CO -0.01 0.20 -0.14 0.40 -0.69 0.00 0.00 178.15 177.91 2qhd h ILE 10 N 1.07 0.73 -0.73 -0.67 2.04 -1.07 -0.22 117.51 118.66 2qhd h ILE 10 Ca 0.33 -0.15 -0.00 0.00 1.00 0.00 0.00 64.86 66.04 2qhd h ILE 10 Cb -0.03 0.82 -0.04 0.00 -0.74 0.00 0.00 36.82 36.84 2qhd h ILE 10 CO -0.10 0.03 0.45 1.56 0.00 0.00 0.00 178.15 180.08 2qhd h GLN 11 N -0.47 0.98 0.20 2.37 4.20 -1.01 -0.83 115.11 120.55 2qhd h GLN 11 Ca -0.04 -0.08 -0.32 0.00 0.06 0.00 0.00 58.65 58.27 2qhd h GLN 11 Cb 0.36 -0.21 0.03 0.00 0.30 0.00 0.00 27.48 27.96 2qhd h GLN 11 CO 0.07 0.69 -1.38 0.93 -0.67 0.00 0.00 178.83 178.46 2qhd h GLU 12 N 0.99 0.55 0.00 1.46 4.39 -1.04 -3.39 114.58 117.53 2qhd h GLU 12 Ca 0.26 -0.86 0.00 0.00 0.34 0.00 0.00 59.36 59.11 2qhd h GLU 12 Cb -0.05 0.31 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 2qhd h GLU 12 CO -0.05 1.40 -1.80 0.25 -1.16 0.00 0.00 179.01 177.66 2qhd n THR 13 N -3.72 0.00 -0.58 1.13 -2.24 -0.10 -4.70 114.28 104.07 2qhd n THR 13 Ca -0.15 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.22 2qhd n THR 13 Cb 1.06 0.14 0.00 0.00 -2.10 0.00 0.00 70.33 69.43 2qhd n THR 13 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qhd n GLY 14 N 1.41 1.78 3.87 3.38 0.00 -0.32 -5.00 105.19 110.32 2qhd n GLY 14 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 2qhd n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qhd s LYS 16 N -0.02 3.32 -0.00 1.61 1.02 -1.26 -5.02 119.74 119.38 2qhd s LYS 16 Ca 0.00 -0.38 -0.27 0.00 0.02 0.00 0.00 55.97 55.33 2qhd s LYS 16 Cb 0.00 -3.02 -0.04 0.00 -0.52 0.00 0.00 37.83 34.26 2qhd s LYS 16 CO 0.00 0.66 0.87 -1.54 -0.92 0.00 0.00 175.35 174.42 2qhd s SER 17 N -1.93 7.25 0.30 2.83 1.04 -1.26 -3.86 113.70 118.08 2qhd s SER 17 Ca 0.27 1.51 0.02 0.00 0.48 0.00 0.00 55.95 58.23 2qhd s SER 17 Cb -0.12 -2.51 0.75 0.00 0.10 0.00 0.00 66.02 64.23 2qhd s SER 17 CO 0.18 -0.16 1.60 1.55 0.98 0.00 0.00 173.24 177.38 2qhd h PRO 18 N 6.52 0.07 -5.33 4.02 0.13 -1.91 -3.19 132.00 132.31 2qhd h PRO 18 Ca -0.42 -0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.09 2qhd h PRO 18 Cb 1.21 -0.02 -0.15 0.00 0.13 0.00 0.00 31.00 32.17 2qhd h PRO 18 CO 0.74 0.04 -0.55 0.12 -0.23 0.00 0.00 178.00 178.12 2qhd s PHE 19 N -5.96 3.28 -2.76 1.56 5.36 -1.26 -0.11 117.98 118.09 2qhd s PHE 19 Ca -0.12 0.13 0.24 0.00 -0.96 0.00 0.00 56.93 56.21 2qhd s PHE 19 Cb 0.28 -2.07 0.37 0.00 -0.34 0.00 0.00 43.02 41.26 2qhd s PHE 19 CO 0.77 0.21 1.36 -0.35 -1.46 0.00 0.00 175.22 175.76 2qhd n PRO 20 N 3.39 2.30 0.26 10.12 -0.04 -1.25 -4.94 135.00 144.83 2qhd n PRO 20 Ca -0.17 -1.91 0.09 0.00 -0.04 0.00 0.00 63.50 61.47 2qhd n PRO 20 Cb 0.52 -1.48 0.68 0.00 -0.04 0.00 0.00 33.50 33.19 2qhd n PRO 20 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2qhd h SER 21 N 4.30 0.00 0.00 3.54 0.02 -1.50 -3.34 113.55 116.57 2qhd h SER 21 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2qhd h SER 21 Cb 0.93 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.47 2qhd h SER 21 CO 0.00 0.06 0.00 -1.22 -1.14 0.00 0.00 176.83 174.53 2qhd n TYR 22 N -4.23 0.00 0.30 3.45 4.02 0.85 -4.65 117.16 116.90 2qhd n TYR 22 Ca -0.03 0.00 0.17 0.00 -0.01 0.00 0.00 57.90 58.04 2qhd n TYR 22 Cb 0.14 0.00 0.83 0.00 -0.02 0.00 0.00 39.34 40.29 2qhd n TYR 22 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 176.86 177.64 2qhd h THR 23 N 0.16 0.00 0.00 -0.72 1.35 -1.45 -3.25 112.91 109.01 2qhd h THR 23 Ca 0.00 -0.22 -0.05 0.00 -0.55 0.00 0.00 66.41 65.59 2qhd h THR 23 Cb 0.08 1.10 -0.10 0.00 -1.73 0.00 0.00 68.15 67.50 2qhd h THR 23 CO 0.00 0.00 -0.50 -1.54 -0.25 0.00 0.00 175.52 173.23 2qhd n SER 24 N -2.83 0.13 -4.69 5.36 3.41 -1.23 -3.97 113.62 109.80 2qhd n SER 24 Ca -0.01 -1.79 -0.42 0.00 -0.26 0.00 0.00 58.87 56.39 2qhd n SER 24 Cb 0.17 -0.13 -0.03 0.00 -0.26 0.00 0.00 64.21 63.96 2qhd n SER 24 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 2qhd s TYR 25 N 0.00 2.57 0.00 7.33 5.04 -1.13 -3.73 117.35 127.43 2qhd s TYR 25 Ca 0.08 0.49 0.00 0.00 -2.44 0.00 0.00 57.07 55.20 2qhd s TYR 25 Cb 0.09 -3.86 0.00 0.00 0.35 0.00 0.00 41.96 38.54 2qhd s TYR 25 CO -0.04 -3.37 0.00 0.41 -1.34 0.00 0.00 175.55 171.21 2qhd n GLY 26 N 3.87 1.28 0.09 8.97 0.00 0.52 -1.79 105.19 118.13 2qhd n GLY 26 Ca 0.15 -0.56 0.12 0.00 0.00 0.00 0.00 46.02 45.72 2qhd n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qhd n PHE 28 N -2.34 0.00 -2.23 0.00 3.01 -1.25 -4.17 117.46 110.47 2qhd n PHE 28 Ca 0.02 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.06 2qhd n PHE 28 Cb 0.48 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.92 2qhd n PHE 28 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2qhd n GLY 30 N 3.68 0.59 0.00 0.00 0.00 -1.25 -3.24 105.19 104.97 2qhd n GLY 30 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2qhd n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qhd n GLY 31 N -2.82 3.94 0.00 -0.02 0.00 -0.94 -4.89 105.19 100.47 2qhd n GLY 31 Ca 0.00 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.37 2qhd n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qhd n GLY 32 N -1.54 3.86 0.00 -0.02 0.00 -1.26 -3.93 105.19 102.30 2qhd n GLY 32 Ca 0.00 -1.35 0.03 0.00 0.00 0.00 0.00 46.02 44.70 2qhd n GLY 32 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2qhd n GLU 33 N -0.18 0.21 -3.98 1.61 1.02 -1.26 -4.71 120.64 113.34 2qhd n GLU 33 Ca 0.00 -0.06 -0.36 0.00 -0.02 0.00 0.00 57.16 56.73 2qhd n GLU 33 Cb 0.00 -1.14 -0.08 0.00 -0.02 0.00 0.00 31.44 30.20 2qhd n GLU 33 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2qhd s ARG 34 N -2.42 3.57 0.00 3.49 0.52 -1.26 -4.41 118.95 118.43 2qhd s ARG 34 Ca -0.02 -0.24 0.00 0.00 -0.52 0.00 0.00 55.73 54.95 2qhd s ARG 34 Cb 0.04 -3.15 0.00 0.00 0.52 0.00 0.00 34.95 32.36 2qhd s ARG 34 CO 0.26 0.59 0.00 0.41 0.02 0.00 0.00 175.30 176.58 2qhd n GLY 35 N 2.55 4.29 3.78 -3.53 0.00 -1.25 -4.74 105.19 106.29 2qhd n GLY 35 Ca -0.18 -1.70 -0.31 0.00 0.00 0.00 0.00 46.02 43.83 2qhd n GLY 35 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2qhd s PRO 36 N 4.28 2.31 0.40 1.61 0.04 -1.26 -0.22 135.00 142.16 2qhd s PRO 36 Ca 0.00 1.00 -0.27 0.00 0.04 0.00 0.00 61.00 61.78 2qhd s PRO 36 Cb 0.00 -1.92 -0.09 0.00 0.04 0.00 0.00 34.50 32.53 2qhd s PRO 36 CO 0.00 -1.56 1.37 -1.25 0.04 0.00 0.00 177.00 175.60 2qhd s PRO 37 N -4.98 3.98 0.22 0.56 0.04 -1.26 -4.85 135.00 128.72 2qhd s PRO 37 Ca 0.60 2.31 0.01 0.00 0.04 0.00 0.00 61.00 63.96 2qhd s PRO 37 Cb -0.16 -2.82 0.21 0.00 0.04 0.00 0.00 34.50 31.77 2qhd s PRO 37 CO 0.56 -0.53 1.55 -0.07 0.04 0.00 0.00 177.00 178.54 2qhd h LEU 38 N 2.76 0.45 0.00 -3.56 3.38 -1.97 -3.48 115.31 112.89 2qhd h LEU 38 Ca -0.50 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.23 2qhd h LEU 38 Cb 1.25 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.87 2qhd h LEU 38 CO 0.63 0.91 0.00 -0.90 0.09 0.00 0.00 178.44 179.17 2qhd n ASP 39 N -3.94 0.00 -0.18 -0.43 5.68 -1.26 -5.00 116.55 111.41 2qhd n ASP 39 Ca -0.03 -0.83 -0.06 0.00 -0.50 0.00 0.00 54.79 53.37 2qhd n ASP 39 Cb 0.59 0.00 0.03 0.00 -1.14 0.00 0.00 41.12 40.60 2qhd n ASP 39 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2qhd h ALA 40 N 2.00 0.69 -0.69 2.12 0.00 -1.93 0.11 119.26 121.56 2qhd h ALA 40 Ca 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2qhd h ALA 40 Cb 0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 2qhd h ALA 40 CO 0.00 0.10 0.43 1.15 0.00 0.00 0.00 179.25 180.93 2qhd h THR 41 N 0.71 1.19 -0.25 0.00 2.02 -1.91 -0.75 112.91 113.92 2qhd h THR 41 Ca 0.21 -0.40 -0.09 0.00 0.77 0.00 0.00 66.41 66.90 2qhd h THR 41 Cb -0.05 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 66.57 2qhd h THR 41 CO -0.06 0.19 -0.21 -0.78 0.37 0.00 0.00 175.52 175.03 2qhd h ASP 42 N 0.93 0.46 0.11 4.18 3.58 -1.78 -2.28 116.42 121.62 2qhd h ASP 42 Ca 0.25 -0.14 -0.08 0.00 0.42 0.00 0.00 57.03 57.47 2qhd h ASP 42 Cb -0.05 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 40.86 2qhd h ASP 42 CO -0.05 0.68 -0.28 0.03 -2.88 0.00 0.00 179.24 176.74 2qhd h ARG 43 N 0.42 0.28 -0.40 0.28 3.08 0.10 -1.70 114.38 116.43 2qhd h ARG 43 Ca 0.07 -0.10 0.01 0.00 0.07 0.00 0.00 59.98 60.03 2qhd h ARG 43 Cb 0.60 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.61 2qhd h ARG 43 CO 0.04 0.54 0.26 0.00 -1.07 0.00 0.00 179.97 179.74 2qhd h LEU 46 N 0.76 0.53 -1.63 0.00 5.85 -0.92 -0.70 115.31 119.20 2qhd h LEU 46 Ca 0.13 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 2qhd h LEU 46 Cb 0.56 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 2qhd h LEU 46 CO 0.03 0.41 -0.13 0.00 -0.34 0.00 0.00 178.44 178.41 2qhd h ALA 47 N 1.15 1.69 -0.18 1.25 0.00 -0.78 -1.40 119.26 120.99 2qhd h ALA 47 Ca 0.17 -0.15 -0.22 0.00 0.00 0.00 0.00 54.91 54.71 2qhd h ALA 47 Cb -0.04 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.71 2qhd h ALA 47 CO -0.03 0.23 -0.73 1.25 0.00 0.00 0.00 179.25 179.97 2qhd h HIS 48 N 0.07 1.08 -0.51 0.00 -0.00 -0.25 -1.20 115.15 114.34 2qhd h HIS 48 Ca 0.01 -0.46 -0.02 0.00 -0.00 0.00 0.00 60.37 59.91 2qhd h HIS 48 Cb 0.28 -0.17 -0.02 0.00 -0.00 0.00 0.00 27.41 27.49 2qhd h HIS 48 CO 0.00 1.29 0.25 1.03 -0.00 0.00 0.00 177.93 180.50 2qhd h SER 49 N 0.57 0.65 -0.76 3.26 0.87 -0.67 -0.91 113.55 116.56 2qhd h SER 49 Ca -0.04 -0.12 -0.01 0.00 -1.23 0.00 0.00 61.79 60.40 2qhd h SER 49 Cb 1.35 -0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 63.11 2qhd h SER 49 CO 0.15 0.59 0.45 0.00 -0.53 0.00 0.00 176.83 177.48 2qhd h TYR 52 N 0.74 0.00 0.00 0.00 -1.99 -0.75 -0.91 116.97 114.06 2qhd h TYR 52 Ca 0.20 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.93 2qhd h TYR 52 Cb -0.06 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 38.67 2qhd h TYR 52 CO -0.03 0.10 -0.02 -0.44 -0.00 0.00 0.00 178.16 177.77 2qhd h ASP 53 N 0.00 0.00 -0.16 3.88 3.32 -0.41 -1.19 116.42 121.86 2qhd h ASP 53 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2qhd h ASP 53 Cb 0.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.75 2qhd h ASP 53 CO 0.01 0.02 0.00 0.35 -1.72 0.00 0.00 179.24 177.90 2qhd n THR 54 N -3.16 0.21 -2.43 0.35 -2.24 -0.35 -4.15 114.28 102.51 2qhd n THR 54 Ca -0.01 -0.28 -0.28 0.00 -2.27 0.00 0.00 64.05 61.21 2qhd n THR 54 Cb 0.18 0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.61 2qhd n THR 54 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2qhd n LEU 55 N 0.09 4.88 0.27 3.22 4.77 -0.45 -4.82 117.00 124.97 2qhd n LEU 55 Ca 0.14 -5.18 0.14 0.00 -0.03 0.00 0.00 56.01 51.08 2qhd n LEU 55 Cb 0.25 -0.49 0.78 0.00 -2.33 0.00 0.00 43.42 41.63 2qhd n LEU 55 CO 0.11 2.21 1.01 1.55 -1.33 0.00 0.00 177.39 180.93 2qhd h PRO 56 N 2.58 0.00 -0.03 3.23 0.13 -1.76 -1.44 132.00 134.72 2qhd h PRO 56 Ca 0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.45 2qhd h PRO 56 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 2qhd h PRO 56 CO 0.88 0.09 0.00 -0.40 -0.23 0.00 0.00 178.00 178.34 2qhd n ASP 59 N -3.56 1.05 -4.53 1.44 5.75 -1.26 -4.90 116.55 110.52 2qhd n ASP 59 Ca -0.02 -1.38 -0.25 0.00 -0.01 0.00 0.00 54.79 53.13 2qhd n ASP 59 Cb 0.22 -0.01 -0.11 0.00 -1.03 0.00 0.00 41.12 40.19 2qhd n ASP 59 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2qhd n SER 67 N -0.82 3.59 -0.32 0.00 7.64 -1.26 -4.97 113.62 117.49 2qhd n SER 67 Ca -0.04 -3.28 0.15 0.00 1.01 0.00 0.00 58.87 56.71 2qhd n SER 67 Cb 0.66 -0.80 0.38 0.00 -1.01 0.00 0.00 64.21 63.44 2qhd n SER 67 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2qhd h PRO 68 N 5.13 0.65 0.00 1.43 0.13 -1.92 0.64 132.00 138.05 2qhd h PRO 68 Ca 0.17 -0.04 -0.04 0.00 -0.87 0.00 0.00 66.00 65.22 2qhd h PRO 68 Cb 0.73 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 31.71 2qhd h PRO 68 CO 0.80 0.43 -0.18 0.87 -0.23 0.00 0.00 178.00 179.69 2qhd h LYS 69 N 0.67 0.00 0.00 0.86 1.57 -1.94 0.16 116.57 117.89 2qhd h LYS 69 Ca 0.54 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.32 2qhd h LYS 69 Cb 0.96 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.27 2qhd h LYS 69 CO -0.30 0.18 -0.33 0.25 -0.57 0.00 0.00 179.45 178.68 2qhd n THR 70 N -3.30 0.00 -2.45 -0.16 -2.24 -0.82 0.21 114.28 105.51 2qhd n THR 70 Ca 0.01 -0.32 -0.43 0.00 -2.27 0.00 0.00 64.05 61.04 2qhd n THR 70 Cb 0.43 0.82 -0.02 0.00 -2.10 0.00 0.00 70.33 69.47 2qhd n THR 70 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2qhd s ASP 71 N -1.30 6.78 0.39 3.42 2.15 0.16 -4.01 116.67 124.26 2qhd s ASP 71 Ca 0.00 1.34 -0.23 0.00 0.43 0.00 0.00 52.55 54.09 2qhd s ASP 71 Cb 0.00 -2.54 -0.10 0.00 -0.30 0.00 0.00 42.92 39.98 2qhd s ASP 71 CO 0.00 -0.96 0.98 -0.13 -0.17 0.00 0.00 175.17 174.89 2qhd s ARG 72 N 3.90 4.29 0.20 4.34 1.81 -1.26 -3.21 118.95 129.02 2qhd s ARG 72 Ca 0.54 1.30 -0.16 0.00 -1.72 0.00 0.00 55.73 55.70 2qhd s ARG 72 Cb -0.18 -2.45 0.02 0.00 -0.45 0.00 0.00 34.95 31.89 2qhd s ARG 72 CO 0.19 0.00 0.48 1.52 -0.68 0.00 0.00 175.30 176.82 2qhd s TYR 73 N -1.86 0.02 0.14 -0.53 -0.85 -1.26 -4.92 117.35 108.09 2qhd s TYR 73 Ca 0.58 -0.38 0.10 0.00 -0.52 0.00 0.00 57.07 56.85 2qhd s TYR 73 Cb -0.16 0.30 -0.04 0.00 0.38 0.00 0.00 41.96 42.44 2qhd s TYR 73 CO 0.20 -0.90 -0.21 0.15 -1.52 0.00 0.00 175.55 173.27 2qhd s LYS 74 N -3.91 1.64 0.06 -3.49 1.02 -1.26 -4.92 119.74 108.87 2qhd s LYS 74 Ca 0.12 -1.31 -0.07 0.00 0.02 0.00 0.00 55.97 54.74 2qhd s LYS 74 Cb -0.00 -2.00 -0.01 0.00 -0.52 0.00 0.00 37.83 35.30 2qhd s LYS 74 CO -0.01 0.45 0.13 1.52 -0.92 0.00 0.00 175.35 176.52 2qhd s TYR 75 N -1.27 0.21 0.43 3.18 -0.85 -1.26 -3.29 117.35 114.49 2qhd s TYR 75 Ca 0.18 -0.58 0.06 0.00 -0.52 0.00 0.00 57.07 56.21 2qhd s TYR 75 Cb -0.10 -0.13 -0.06 0.00 0.38 0.00 0.00 41.96 42.05 2qhd s TYR 75 CO 0.09 -0.44 0.03 0.15 -1.52 0.00 0.00 175.55 173.86 2qhd s LYS 76 N -3.24 2.03 -0.18 -3.49 -0.14 -0.65 -4.96 119.74 109.12 2qhd s LYS 76 Ca 0.00 -2.13 0.01 0.00 -1.36 0.00 0.00 55.97 52.49 2qhd s LYS 76 Cb 0.02 -1.66 0.03 0.00 -1.68 0.00 0.00 37.83 34.55 2qhd s LYS 76 CO -0.08 -0.12 -0.13 1.03 -0.76 0.00 0.00 175.35 175.30 2qhd s ARG 77 N -3.76 2.26 -0.28 1.68 0.52 -1.26 -0.01 118.95 118.11 2qhd s ARG 77 Ca 0.31 -0.76 0.01 0.00 -0.52 0.00 0.00 55.73 54.77 2qhd s ARG 77 Cb 0.08 -2.34 0.06 0.00 0.52 0.00 0.00 34.95 33.27 2qhd s ARG 77 CO 0.16 -0.33 -0.06 -2.00 0.02 0.00 0.00 175.30 173.08 2qhd s GLU 78 N 1.40 2.26 -1.36 3.54 2.12 0.93 -4.68 118.70 122.92 2qhd s GLU 78 Ca 0.02 -1.36 -0.08 0.00 0.36 0.00 0.00 54.97 53.91 2qhd s GLU 78 Cb -0.15 -3.01 0.02 0.00 0.26 0.00 0.00 34.13 31.26 2qhd s GLU 78 CO -0.10 -0.61 1.10 -1.71 -0.54 0.00 0.00 175.26 173.41 2qhd n ASN 79 N 4.48 -5.18 0.00 -1.70 2.85 -1.26 -1.70 115.26 112.76 2qhd n ASN 79 Ca -0.13 -0.60 0.00 0.00 -0.11 0.00 0.00 54.58 53.74 2qhd n ASN 79 Cb 0.42 -4.82 0.00 0.00 1.24 0.00 0.00 39.78 36.62 2qhd n ASN 79 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2qhd n GLY 80 N -1.80 0.90 3.58 8.20 0.00 -1.26 -5.02 105.19 109.78 2qhd n GLY 80 Ca -0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 2qhd n GLY 80 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2qhd s GLU 81 N -0.02 2.36 0.05 1.61 2.12 -0.69 -5.09 118.70 119.04 2qhd s GLU 81 Ca 0.00 -0.86 -0.30 0.00 0.36 0.00 0.00 54.97 54.17 2qhd s GLU 81 Cb 0.00 -2.40 -0.05 0.00 0.26 0.00 0.00 34.13 31.94 2qhd s GLU 81 CO 0.00 0.56 1.16 0.42 -0.54 0.00 0.00 175.26 176.86 2qhd s ILE 82 N -1.08 4.18 -0.28 -3.70 -1.09 -1.26 -0.05 121.20 117.93 2qhd s ILE 82 Ca 0.19 1.57 0.00 0.00 -2.23 0.00 0.00 60.65 60.18 2qhd s ILE 82 Cb -0.11 -4.00 0.05 0.00 -1.58 0.00 0.00 42.46 36.82 2qhd s ILE 82 CO 0.10 0.12 -0.06 -0.63 -1.23 0.00 0.00 174.94 173.24 2qhd s ILE 83 N 1.05 2.61 0.35 2.92 -1.09 0.99 -4.89 121.20 123.15 2qhd s ILE 83 Ca 0.57 -1.45 -0.26 0.00 -2.23 0.00 0.00 60.65 57.29 2qhd s ILE 83 Cb -0.28 -2.49 -0.09 0.00 -1.58 0.00 0.00 42.46 38.02 2qhd s ILE 83 CO 0.29 -0.03 1.07 0.00 -1.23 0.00 0.00 174.94 175.03 2qhd s GLU 85 N -2.10 1.55 -0.08 0.00 -1.05 -1.21 -4.96 118.70 110.85 2qhd s GLU 85 Ca 0.53 -0.02 0.23 0.00 -0.15 0.00 0.00 54.97 55.56 2qhd s GLU 85 Cb -0.26 -1.92 0.44 0.00 -0.44 0.00 0.00 34.13 31.96 2qhd s GLU 85 CO 0.32 -1.86 1.16 0.09 0.95 0.00 0.00 175.26 175.93 2qhd n ASN 86 N -3.47 1.28 -0.02 0.83 4.13 -1.26 -4.01 115.26 112.73 2qhd n ASN 86 Ca 0.10 -2.24 0.04 0.00 1.68 0.00 0.00 54.58 54.16 2qhd n ASN 86 Cb 0.60 -0.36 0.40 0.00 -1.54 0.00 0.00 39.78 38.89 2qhd n ASN 86 CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 2qhd h SER 88 N 1.33 0.52 -5.19 6.41 4.64 -1.97 -3.43 113.55 115.86 2qhd h SER 88 Ca -0.17 -0.01 -0.11 0.00 -0.47 0.00 0.00 61.79 61.02 2qhd h SER 88 Cb 1.68 -0.13 -0.15 0.00 -0.31 0.00 0.00 62.40 63.50 2qhd h SER 88 CO 0.12 0.37 -0.55 0.42 -0.87 0.00 0.00 176.83 176.33 2qhd s THR 89 N -5.54 0.18 0.18 2.95 -4.23 -1.26 -5.05 115.64 102.87 2qhd s THR 89 Ca -0.09 -1.48 -0.12 0.00 -1.18 0.00 0.00 61.69 58.83 2qhd s THR 89 Cb 0.17 -1.36 0.09 0.00 1.34 0.00 0.00 72.50 72.74 2qhd s THR 89 CO 0.74 -0.82 1.76 -1.28 -0.54 0.00 0.00 174.62 174.48 2qhd h SER 90 N 3.09 0.82 0.25 3.99 0.87 -1.97 -2.50 113.55 118.09 2qhd h SER 90 Ca -0.34 -0.14 -0.01 0.00 -1.23 0.00 0.00 61.79 60.07 2qhd h SER 90 Cb 1.17 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.92 2qhd h SER 90 CO 0.60 0.72 -0.12 0.00 -0.53 0.00 0.00 176.83 177.51 2qhd h LYS 92 N -0.36 0.77 0.11 0.00 1.57 -1.90 0.25 116.57 117.02 2qhd h LYS 92 Ca -0.03 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 2qhd h LYS 92 Cb 0.27 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.41 2qhd h LYS 92 CO 0.06 0.51 -0.05 -0.22 -0.57 0.00 0.00 179.45 179.17 2qhd h LYS 93 N 0.79 -0.15 -0.11 3.15 1.63 -1.25 -0.41 116.57 120.22 2qhd h LYS 93 Ca 0.43 0.01 -0.13 0.00 -0.85 0.00 0.00 60.65 60.11 2qhd h LYS 93 Cb 0.45 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.11 2qhd h LYS 93 CO -0.28 -0.07 -0.51 0.00 -3.45 0.00 0.00 179.45 175.15 2qhd h ARG 94 N -0.18 0.30 0.12 1.90 3.08 -0.66 -1.20 114.38 117.74 2qhd h ARG 94 Ca -0.02 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 59.85 2qhd h ARG 94 Cb 0.15 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.21 2qhd h ARG 94 CO 0.03 0.74 -0.06 0.82 -1.07 0.00 0.00 179.97 180.43 2qhd h ILE 95 N 0.24 1.02 -0.78 2.04 2.04 -0.46 -2.41 117.51 119.21 2qhd h ILE 95 Ca 0.01 -0.59 0.12 0.00 1.00 0.00 0.00 64.86 65.40 2qhd h ILE 95 Cb 0.98 1.39 -0.08 0.00 -0.74 0.00 0.00 36.82 38.37 2qhd h ILE 95 CO 0.08 0.14 0.40 0.00 0.00 0.00 0.00 178.15 178.77 2qhd h GLU 97 N 0.63 0.82 -0.15 0.00 4.39 -1.13 0.20 114.58 119.34 2qhd h GLU 97 Ca 0.40 -0.21 -0.01 0.00 0.34 0.00 0.00 59.36 59.89 2qhd h GLU 97 Cb 0.49 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 2qhd h GLU 97 CO -0.31 0.80 0.08 0.00 -1.16 0.00 0.00 179.01 178.42 2qhd h ASP 99 N 0.13 0.92 -0.50 0.00 3.32 -0.95 -2.45 116.42 116.90 2qhd h ASP 99 Ca 0.05 -0.20 0.05 0.00 0.02 0.00 0.00 57.03 56.95 2qhd h ASP 99 Cb 0.11 -0.24 -0.05 0.00 0.22 0.00 0.00 39.33 39.37 2qhd h ASP 99 CO -0.01 0.88 0.22 0.50 -1.72 0.00 0.00 179.24 179.11 2qhd h LYS 100 N 0.92 0.42 -0.24 3.56 3.64 -0.46 -1.24 116.57 123.17 2qhd h LYS 100 Ca 0.21 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.57 2qhd h LYS 100 Cb 0.28 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 2qhd h LYS 100 CO -0.01 0.28 0.14 0.00 -2.27 0.00 0.00 179.45 177.60 2qhd h ALA 101 N 1.29 0.30 -0.43 5.00 0.00 -0.96 -2.19 119.26 122.27 2qhd h ALA 101 Ca 0.23 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 2qhd h ALA 101 Cb 0.18 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2qhd h ALA 101 CO -0.19 -0.25 -0.05 -0.24 0.00 0.00 0.00 179.25 178.53 2qhd h VAL 102 N 0.30 1.27 -0.50 0.00 3.04 -1.16 -1.46 116.25 117.74 2qhd h VAL 102 Ca 0.09 -1.12 0.02 0.00 -1.01 0.00 0.00 66.70 64.68 2qhd h VAL 102 Cb -0.01 1.12 -0.03 0.00 -2.01 0.00 0.00 31.29 30.36 2qhd h VAL 102 CO -0.04 0.38 0.30 0.00 -1.01 0.00 0.00 177.57 177.21 2qhd h ALA 103 N 0.88 0.64 -0.39 3.17 0.00 -1.12 0.11 119.26 122.56 2qhd h ALA 103 Ca 0.12 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 2qhd h ALA 103 Cb 0.56 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2qhd h ALA 103 CO 0.03 0.01 -0.18 0.28 0.00 0.00 0.00 179.25 179.39 2qhd h VAL 104 N 0.61 1.26 -0.50 0.00 2.07 -1.32 -2.31 116.25 116.06 2qhd h VAL 104 Ca 0.20 -1.25 -0.10 0.00 0.82 0.00 0.00 66.70 66.37 2qhd h VAL 104 Cb 0.01 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 2qhd h VAL 104 CO -0.09 0.42 -0.09 0.00 0.02 0.00 0.00 177.57 177.83 2qhd h LEU 106 N 0.80 0.84 0.16 0.00 3.38 -0.62 -2.81 115.31 117.05 2qhd h LEU 106 Ca 0.13 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2qhd h LEU 106 Cb 0.64 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2qhd h LEU 106 CO 0.04 0.71 -0.08 -0.09 0.09 0.00 0.00 178.44 179.11 2qhd h ARG 107 N 0.91 -0.21 -0.11 1.13 2.43 -1.20 -2.73 114.38 114.60 2qhd h ARG 107 Ca 0.23 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.45 2qhd h ARG 107 Cb 0.07 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.66 2qhd h ARG 107 CO -0.03 -0.13 0.20 -0.22 -1.51 0.00 0.00 179.97 178.28 2qhd h LYS 108 N -0.23 0.00 -0.31 0.20 1.63 -1.12 -1.93 116.57 114.82 2qhd h LYS 108 Ca -0.02 0.00 -0.11 0.00 -0.85 0.00 0.00 60.65 59.67 2qhd h LYS 108 Cb 0.17 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 31.74 2qhd h LYS 108 CO 0.04 0.00 -0.03 0.09 -3.45 0.00 0.00 179.45 176.09 2qhd n ASN 109 N -3.40 3.01 0.10 4.20 3.02 -1.04 -4.62 115.26 116.52 2qhd n ASN 109 Ca -0.00 -3.45 0.02 0.00 -0.03 0.00 0.00 54.58 51.12 2qhd n ASN 109 Cb 0.30 -0.59 0.39 0.00 -0.61 0.00 0.00 39.78 39.26 2qhd n ASN 109 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2qhd h LEU 110 N 1.23 0.27 -1.09 3.41 3.38 -1.22 -2.42 115.31 118.87 2qhd h LEU 110 Ca 0.13 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2qhd h LEU 110 Cb 1.56 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.24 2qhd h LEU 110 CO 0.31 0.39 0.00 -0.46 0.09 0.00 0.00 178.44 178.78 2qhd n ASN 111 N -4.30 0.48 0.00 -0.43 6.94 -1.26 -1.76 115.26 114.93 2qhd n ASN 111 Ca -0.00 0.70 0.00 0.00 -0.02 0.00 0.00 54.58 55.26 2qhd n ASN 111 Cb 0.25 -0.77 0.00 0.00 -2.36 0.00 0.00 39.78 36.89 2qhd n ASN 111 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 2qhd n THR 112 N -2.13 0.75 -1.67 5.53 -2.24 -0.92 -5.03 114.28 108.56 2qhd n THR 112 Ca -0.01 -0.86 -0.48 0.00 -2.27 0.00 0.00 64.05 60.44 2qhd n THR 112 Cb 0.06 0.63 -0.05 0.00 -2.10 0.00 0.00 70.33 68.88 2qhd n THR 112 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qhd n TYR 113 N -0.37 2.25 -3.79 4.78 9.36 -0.73 -4.94 117.16 123.72 2qhd n TYR 113 Ca 0.00 0.17 -0.37 0.00 3.32 0.00 0.00 57.90 61.03 2qhd n TYR 113 Cb 0.20 -2.58 -0.13 0.00 -0.63 0.00 0.00 39.34 36.20 2qhd n TYR 113 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 2qhd s ASN 114 N 2.44 5.06 0.66 2.98 3.84 -1.26 -4.97 114.94 123.69 2qhd s ASN 114 Ca 0.86 -0.86 0.44 0.00 0.21 0.00 0.00 52.86 53.52 2qhd s ASN 114 Cb -0.72 -1.84 2.41 0.00 -0.55 0.00 0.00 41.25 40.55 2qhd s ASN 114 CO 0.46 -0.22 2.36 0.11 -2.79 0.00 0.00 177.10 177.02 2qhd h LYS 115 N 8.19 0.00 -0.01 0.43 6.56 -2.00 -0.06 116.57 129.68 2qhd h LYS 115 Ca -0.29 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.30 2qhd h LYS 115 Cb 1.11 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.77 2qhd h LYS 115 CO 0.60 0.00 0.00 0.36 -2.06 0.00 0.00 179.45 178.35 2qhd n LYS 116 N -3.07 1.16 0.00 3.15 2.85 -1.26 -2.94 118.16 118.05 2qhd n LYS 116 Ca -0.03 -0.23 0.05 0.00 -1.05 0.00 0.00 58.31 57.05 2qhd n LYS 116 Cb 0.07 -1.47 -0.06 0.00 -0.65 0.00 0.00 35.03 32.93 2qhd n LYS 116 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2qhd n TYR 117 N -0.70 0.00 -0.28 5.58 4.01 -0.04 -4.55 117.16 121.18 2qhd n TYR 117 Ca 0.22 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 58.02 2qhd n TYR 117 Cb 0.16 0.00 0.21 0.00 -0.31 0.00 0.00 39.34 39.40 2qhd n TYR 117 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 2qhd h THR 118 N 0.11 0.68 -1.20 -0.72 2.02 -1.52 0.16 112.91 112.44 2qhd h THR 118 Ca 0.00 -0.18 -0.58 0.00 0.77 0.00 0.00 66.41 66.42 2qhd h THR 118 Cb 0.28 0.11 -0.42 0.00 -1.74 0.00 0.00 68.15 66.38 2qhd h THR 118 CO 0.00 0.10 -0.72 -1.22 0.37 0.00 0.00 175.52 174.05 2qhd n TYR 119 N -4.94 3.13 -1.66 3.16 4.02 -1.26 -2.83 117.16 116.78 2qhd n TYR 119 Ca 0.16 -2.73 -0.43 0.00 -0.01 0.00 0.00 57.90 54.89 2qhd n TYR 119 Cb 0.44 -0.23 -0.03 0.00 -0.02 0.00 0.00 39.34 39.50 2qhd n TYR 119 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 176.86 176.83 2qhd n TYR 120 N -0.58 2.43 -1.90 -0.72 9.36 -0.92 -4.90 117.16 119.93 2qhd n TYR 120 Ca 0.42 -0.30 -0.42 0.00 3.32 0.00 0.00 57.90 60.92 2qhd n TYR 120 Cb 0.78 -2.78 -0.03 0.00 -0.63 0.00 0.00 39.34 36.69 2qhd n TYR 120 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 2qhd s PRO 121 N 4.59 4.17 0.63 2.98 0.04 -1.26 -4.78 135.00 141.37 2qhd s PRO 121 Ca 0.91 2.33 0.41 0.00 0.04 0.00 0.00 61.00 64.69 2qhd s PRO 121 Cb -0.47 -3.94 2.24 0.00 0.04 0.00 0.00 34.50 32.36 2qhd s PRO 121 CO 0.43 -0.85 2.26 -0.97 0.04 0.00 0.00 177.00 177.91 2qhd h ASN 122 N 9.53 0.00 0.00 6.66 -1.24 -1.90 -0.58 115.58 128.05 2qhd h ASN 122 Ca -0.43 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.58 2qhd h ASN 122 Cb 1.20 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.25 2qhd h ASN 122 CO 0.95 0.00 0.00 2.22 -1.29 0.00 0.00 177.43 179.31 2qhd n PHE 124 N -2.97 0.00 1.03 0.67 1.16 -1.26 -1.74 117.46 114.35 2qhd n PHE 124 Ca -0.03 0.00 0.11 0.00 -1.87 0.00 0.00 57.45 55.66 2qhd n PHE 124 Cb 0.09 0.00 0.09 0.00 -1.61 0.00 0.00 39.48 38.04 2qhd n PHE 124 CO 0.00 0.00 0.00 0.91 -1.87 0.00 0.00 176.76 175.80 2qhd n TRP 125 N -0.79 0.00 -3.10 2.97 7.02 -0.22 -4.72 117.44 118.60 2qhd n TRP 125 Ca 0.11 0.00 -0.45 0.00 -1.02 0.00 0.00 57.50 56.14 2qhd n TRP 125 Cb 0.05 -0.10 -0.04 0.00 -2.42 0.00 0.00 31.31 28.80 2qhd n TRP 125 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2qhd n LYS 127 N 6.12 0.66 -0.69 0.00 4.76 -1.20 -4.76 118.16 123.04 2qhd n LYS 127 Ca -0.01 0.13 -0.21 0.00 -2.87 0.00 0.00 58.31 55.34 2qhd n LYS 127 Cb 0.44 -1.65 0.10 0.00 -1.84 0.00 0.00 35.03 32.08 2qhd n LYS 127 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2qhd n GLY 128 N 1.64 -2.29 3.94 0.72 0.00 0.69 -4.91 105.19 104.97 2qhd n GLY 128 Ca -0.24 -0.50 -0.27 0.00 0.00 0.00 0.00 46.02 45.00 2qhd n GLY 128 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qhd s ASP 129 N -1.56 4.24 -0.56 1.61 1.01 -1.26 -4.42 116.67 115.74 2qhd s ASP 129 Ca 0.32 0.31 -0.26 0.00 0.71 0.00 0.00 52.55 53.64 2qhd s ASP 129 Cb -0.02 -0.74 0.04 0.00 1.01 0.00 0.00 42.92 43.21 2qhd s ASP 129 CO 0.39 -1.99 1.04 -0.63 0.21 0.00 0.00 175.17 174.20 2qhd s ILE 130 N -3.45 4.24 0.16 0.77 1.01 -1.26 -3.93 121.20 118.75 2qhd s ILE 130 Ca 0.65 0.57 -0.30 0.00 0.00 0.00 0.00 60.65 61.58 2qhd s ILE 130 Cb -0.08 -4.61 -0.07 0.00 0.01 0.00 0.00 42.46 37.71 2qhd s ILE 130 CO 0.47 -1.19 0.94 -1.61 0.00 0.00 0.00 174.94 173.56 2qhd s GLU 131 N 4.35 4.75 0.68 2.79 0.41 -1.26 -5.01 118.70 125.41 2qhd s GLU 131 Ca 0.36 1.45 -0.17 0.00 -0.41 0.00 0.00 54.97 56.20 2qhd s GLU 131 Cb -0.10 -3.33 0.01 0.00 -1.78 0.00 0.00 34.13 28.92 2qhd s GLU 131 CO 0.22 0.35 1.27 1.63 -0.49 0.00 0.00 175.26 178.24 2qhd n LYS 132 N 2.22 0.92 0.00 1.61 5.02 -1.26 -5.11 118.16 121.55 2qhd n LYS 132 Ca 0.00 0.37 0.11 0.00 -2.02 0.00 0.00 58.31 56.77 2qhd n LYS 132 Cb 0.48 -2.50 0.63 0.00 -0.02 0.00 0.00 35.03 33.62 2qhd n LYS 132 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88