#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2khn s GLY 2 N 0.00 -0.59 -0.54 -5.12 0.00 -1.26 -5.10 107.32 94.72 2khn s GLY 2 Ca 0.00 2.25 -0.28 0.00 0.00 0.00 0.00 44.72 46.69 2khn s GLY 2 CO 0.00 2.10 1.62 0.30 0.00 0.00 0.00 173.10 177.13 2khn s HIS 3 N 1.05 2.00 -0.05 1.90 4.02 -1.26 -4.87 115.29 118.08 2khn s HIS 3 Ca -0.05 0.59 -0.17 0.00 1.02 0.00 0.00 55.06 56.44 2khn s HIS 3 Cb -0.05 -4.25 -0.12 0.00 -1.02 0.00 0.00 32.58 27.14 2khn s HIS 3 CO -0.10 -2.26 0.72 1.25 1.02 0.00 0.00 174.74 175.36 2khn h HIS 4 N 12.59 -0.30 -3.39 1.40 -0.00 -1.92 -3.44 115.15 120.09 2khn h HIS 4 Ca -0.28 -0.01 -0.63 0.00 -0.00 0.00 0.00 60.37 59.46 2khn h HIS 4 Cb 1.13 0.10 -0.18 0.00 -0.00 0.00 0.00 27.41 28.46 2khn h HIS 4 CO 1.02 0.02 -0.58 -3.38 -0.00 0.00 0.00 177.93 175.01 2khn s HIS 5 N -3.23 3.19 0.49 5.26 -0.00 -1.21 -4.36 115.29 115.44 2khn s HIS 5 Ca -0.10 -0.05 0.06 0.00 -0.00 0.00 0.00 55.06 54.97 2khn s HIS 5 Cb 0.01 -2.11 0.01 0.00 -0.00 0.00 0.00 32.58 30.48 2khn s HIS 5 CO 0.35 0.02 0.38 -1.01 -0.00 0.00 0.00 174.74 174.48 2khn s HIS 6 N 0.67 2.05 -0.21 0.38 4.02 0.67 -5.02 115.29 117.84 2khn s HIS 6 Ca 0.03 -0.71 -0.01 0.00 1.02 0.00 0.00 55.06 55.39 2khn s HIS 6 Cb -0.13 -2.00 0.06 0.00 -1.02 0.00 0.00 32.58 29.49 2khn s HIS 6 CO 0.02 -0.31 -0.01 -1.58 1.02 0.00 0.00 174.74 173.88 2khn s HIS 7 N -2.67 1.71 -0.97 1.40 2.46 -1.26 -4.74 115.29 111.23 2khn s HIS 7 Ca 0.40 -1.31 -0.01 0.00 0.47 0.00 0.00 55.06 54.61 2khn s HIS 7 Cb -0.02 -1.30 0.31 0.00 -0.13 0.00 0.00 32.58 31.44 2khn s HIS 7 CO 0.24 -0.69 1.53 1.58 -2.47 0.00 0.00 174.74 174.92 2khn n HIS 8 N 4.86 2.77 -2.84 3.88 -0.00 -1.26 -4.95 115.22 117.68 2khn n HIS 8 Ca -0.10 -2.84 -0.44 0.00 -0.00 0.00 0.00 57.72 54.34 2khn n HIS 8 Cb 0.46 -1.09 -0.01 0.00 -0.00 0.00 0.00 29.99 29.35 2khn n HIS 8 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 2khn s SER 9 N -1.83 6.89 -0.15 0.26 1.04 -1.26 -4.89 113.70 113.77 2khn s SER 9 Ca 0.37 -2.58 -0.30 0.00 0.48 0.00 0.00 55.95 53.92 2khn s SER 9 Cb 0.14 -2.45 0.11 0.00 0.10 0.00 0.00 66.02 63.93 2khn s SER 9 CO -0.03 -0.95 0.91 -1.00 0.98 0.00 0.00 173.24 173.15 2khn s HIS 10 N 2.56 -0.46 -0.18 5.02 4.02 -1.26 -5.15 115.29 119.84 2khn s HIS 10 Ca 0.43 0.84 -0.21 0.00 1.02 0.00 0.00 55.06 57.14 2khn s HIS 10 Cb -0.02 0.43 -0.03 0.00 -1.02 0.00 0.00 32.58 31.94 2khn s HIS 10 CO -0.01 -0.40 0.62 -1.64 1.02 0.00 0.00 174.74 174.34 2khn s MET 11 N -0.96 4.24 -1.21 1.40 1.00 -1.26 -4.99 119.30 117.52 2khn s MET 11 Ca -0.04 0.63 -0.16 0.00 0.00 0.00 0.00 55.69 56.12 2khn s MET 11 Cb -0.01 -3.56 0.12 0.00 0.00 0.00 0.00 34.83 31.39 2khn s MET 11 CO 0.03 -0.19 1.52 0.00 0.00 0.00 0.00 175.02 176.39 2khn s ALA 12 N 1.73 3.63 -1.37 3.03 0.00 -1.26 -4.61 121.76 122.90 2khn s ALA 12 Ca 0.29 -3.09 0.13 0.00 0.00 0.00 0.00 51.96 49.29 2khn s ALA 12 Cb -0.16 -4.34 0.05 0.00 0.00 0.00 0.00 23.12 18.67 2khn s ALA 12 CO 0.11 -3.03 0.81 1.04 0.00 0.00 0.00 175.76 174.69 2khn n GLN 13 N 6.93 1.36 -2.56 0.00 6.02 -1.26 -4.98 117.38 122.89 2khn n GLN 13 Ca 0.40 -0.98 -0.43 0.00 -0.01 0.00 0.00 57.00 55.99 2khn n GLN 13 Cb 0.45 -1.20 -0.02 0.00 1.02 0.00 0.00 30.24 30.49 2khn n GLN 13 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2khn s PHE 14 N -1.32 3.19 -0.57 1.08 0.08 -1.26 -4.97 117.98 114.21 2khn s PHE 14 Ca 0.13 1.31 -0.28 0.00 0.12 0.00 0.00 56.93 58.20 2khn s PHE 14 Cb 0.10 -3.35 0.02 0.00 -0.57 0.00 0.00 43.02 39.23 2khn s PHE 14 CO 0.23 -0.94 1.26 -1.25 -0.10 0.00 0.00 175.22 174.43 2khn s PRO 15 N 2.99 3.47 -0.25 0.24 0.05 -1.26 -4.81 135.00 135.43 2khn s PRO 15 Ca 0.50 0.34 -0.14 0.00 0.05 0.00 0.00 61.00 61.75 2khn s PRO 15 Cb -0.19 -4.04 -0.04 0.00 0.05 0.00 0.00 34.50 30.28 2khn s PRO 15 CO 0.13 -1.74 0.31 0.95 0.05 0.00 0.00 177.00 176.70 2khn s THR 16 N 5.26 5.23 -0.03 1.26 -4.23 -1.26 -5.04 115.64 116.83 2khn s THR 16 Ca 0.46 0.47 -0.30 0.00 -1.18 0.00 0.00 61.69 61.14 2khn s THR 16 Cb -0.09 -3.64 -0.07 0.00 1.34 0.00 0.00 72.50 70.04 2khn s THR 16 CO 0.26 0.23 1.90 -2.84 -0.54 0.00 0.00 174.62 173.62 2khn s PRO 17 N 1.67 4.02 0.59 3.99 0.02 -1.26 -4.96 135.00 139.07 2khn s PRO 17 Ca 0.13 2.38 -0.18 0.00 0.02 0.00 0.00 61.00 63.36 2khn s PRO 17 Cb -0.15 -4.14 -0.03 0.00 0.02 0.00 0.00 34.50 30.20 2khn s PRO 17 CO 0.09 -1.08 1.12 -0.59 -0.33 0.00 0.00 177.00 176.21 2khn s PHE 18 N 4.84 2.64 0.00 6.54 -0.71 -1.26 -4.78 117.98 125.24 2khn s PHE 18 Ca 0.85 1.55 0.00 0.00 -1.04 0.00 0.00 56.93 58.29 2khn s PHE 18 Cb -0.38 -3.25 0.00 0.00 -1.21 0.00 0.00 43.02 38.18 2khn s PHE 18 CO 0.37 -1.64 0.00 0.41 -1.34 0.00 0.00 175.22 173.02 2khn n GLY 19 N -0.11 0.55 5.58 1.99 0.00 -1.26 -4.98 105.19 106.96 2khn n GLY 19 Ca 0.11 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.37 2khn n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2khn n GLY 20 N 0.00 1.51 2.08 -0.02 0.00 -1.26 -3.71 105.19 103.79 2khn n GLY 20 Ca 0.00 0.32 -0.25 0.00 0.00 0.00 0.00 46.02 46.09 2khn n GLY 20 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2khn n SER 21 N 3.79 6.54 -0.76 1.61 7.64 -1.26 -4.93 113.62 126.25 2khn n SER 21 Ca 0.00 -3.40 0.00 0.00 1.01 0.00 0.00 58.87 56.48 2khn n SER 21 Cb 0.00 -0.98 0.00 0.00 -1.01 0.00 0.00 64.21 62.22 2khn n SER 21 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2khn n LEU 22 N -0.37 -3.57 -1.16 -3.43 7.94 -1.24 -4.81 117.00 110.35 2khn n LEU 22 Ca 0.46 1.18 -0.02 0.00 -1.11 0.00 0.00 56.01 56.52 2khn n LEU 22 Cb 0.74 -0.78 0.11 0.00 0.53 0.00 0.00 43.42 44.02 2khn n LEU 22 CO 0.57 -0.32 0.59 -0.90 -1.11 0.00 0.00 177.39 176.22 2khn n ASP 23 N 0.05 2.88 0.08 1.96 5.75 -1.26 -3.77 116.55 122.24 2khn n ASP 23 Ca 0.00 -2.41 -0.04 0.00 -0.01 0.00 0.00 54.79 52.33 2khn n ASP 23 Cb 0.00 -0.59 0.16 0.00 -1.03 0.00 0.00 41.12 39.66 2khn n ASP 23 CO 0.00 0.00 0.00 0.74 -0.11 0.00 0.00 177.20 177.83 2khn h THR 24 N 0.95 1.35 -0.06 2.12 2.02 -1.94 -3.15 112.91 114.20 2khn h THR 24 Ca 0.09 -1.78 0.00 0.00 0.77 0.00 0.00 66.41 65.48 2khn h THR 24 Cb 1.27 1.85 0.00 0.00 -1.74 0.00 0.00 68.15 69.53 2khn h THR 24 CO 0.25 0.53 0.00 0.79 0.37 0.00 0.00 175.52 177.47 2khn n TRP 25 N -3.94 0.05 -3.62 3.16 5.03 -1.25 -4.93 117.44 111.94 2khn n TRP 25 Ca -0.02 -0.03 -0.38 0.00 3.03 0.00 0.00 57.50 60.11 2khn n TRP 25 Cb 0.56 -0.00 -0.06 0.00 -1.03 0.00 0.00 31.31 30.78 2khn n TRP 25 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 2khn s ALA 26 N -1.51 3.76 -0.68 6.99 0.00 -1.19 -3.32 121.76 125.80 2khn s ALA 26 Ca 0.23 -0.35 -0.27 0.00 0.00 0.00 0.00 51.96 51.56 2khn s ALA 26 Cb 0.16 -2.25 0.01 0.00 0.00 0.00 0.00 23.12 21.03 2khn s ALA 26 CO 0.23 0.53 1.53 0.42 0.00 0.00 0.00 175.76 178.48 2khn s ILE 27 N -1.08 3.57 0.83 0.00 1.01 -1.26 -4.94 121.20 119.32 2khn s ILE 27 Ca 0.22 0.33 -0.08 0.00 0.00 0.00 0.00 60.65 61.12 2khn s ILE 27 Cb -0.15 -4.48 0.16 0.00 0.01 0.00 0.00 42.46 38.00 2khn s ILE 27 CO 0.11 -1.42 1.14 0.28 0.00 0.00 0.00 174.94 175.05 2khn s THR 28 N 7.18 2.07 0.13 2.92 -1.32 -1.26 -4.75 115.64 120.62 2khn s THR 28 Ca 0.50 -0.33 -0.22 0.00 -1.21 0.00 0.00 61.69 60.42 2khn s THR 28 Cb -0.10 -2.74 -0.02 0.00 -1.51 0.00 0.00 72.50 68.13 2khn s THR 28 CO 0.18 0.00 1.67 0.58 -2.21 0.00 0.00 174.62 174.83 2khn h VAL 29 N -1.02 0.59 -0.83 5.08 2.07 -1.98 0.58 116.25 120.74 2khn h VAL 29 Ca -0.40 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.13 2khn h VAL 29 Cb 1.25 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 31.57 2khn h VAL 29 CO 0.39 0.00 0.55 -0.08 0.02 0.00 0.00 177.57 178.45 2khn h GLU 30 N -0.18 1.10 -0.60 1.57 4.81 -1.98 0.28 114.58 119.57 2khn h GLU 30 Ca 0.10 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 2khn h GLU 30 Cb 0.33 -0.25 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 2khn h GLU 30 CO -0.25 0.73 0.29 0.93 -0.73 0.00 0.00 179.01 179.99 2khn h GLU 31 N 1.13 0.86 -0.14 1.92 4.39 -1.71 0.20 114.58 121.23 2khn h GLU 31 Ca 0.30 -0.12 -0.09 0.00 0.34 0.00 0.00 59.36 59.80 2khn h GLU 31 Cb -0.12 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.36 2khn h GLU 31 CO -0.07 0.69 -0.29 -0.09 -1.16 0.00 0.00 179.01 178.09 2khn h ARG 32 N 0.82 0.27 0.00 2.33 1.12 0.93 -1.72 114.38 118.12 2khn h ARG 32 Ca 0.21 -0.10 0.00 0.00 -1.11 0.00 0.00 59.98 58.98 2khn h ARG 32 Cb 0.11 -0.02 0.00 0.00 -0.01 0.00 0.00 29.97 30.05 2khn h ARG 32 CO -0.03 0.54 -0.51 0.00 -3.11 0.00 0.00 179.97 176.87 2khn h ALA 33 N 1.46 0.72 -0.69 2.80 0.00 -0.74 -3.38 119.26 119.43 2khn h ALA 33 Ca 0.03 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.96 2khn h ALA 33 Cb 0.64 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 2khn h ALA 33 CO 0.05 0.00 0.45 -0.22 0.00 0.00 0.00 179.25 179.53 2khn h LYS 34 N 0.00 0.88 -0.61 0.00 1.63 0.37 -2.66 116.57 116.18 2khn h LYS 34 Ca 0.00 -0.05 0.07 0.00 -0.85 0.00 0.00 60.65 59.82 2khn h LYS 34 Cb 0.90 -0.20 -0.04 0.00 -0.60 0.00 0.00 32.23 32.29 2khn h LYS 34 CO 0.00 0.58 0.40 1.12 -3.45 0.00 0.00 179.45 178.10 2khn h HIS 35 N 0.90 0.57 -0.18 1.91 2.07 -1.74 0.15 115.15 118.83 2khn h HIS 35 Ca 0.26 0.01 -0.07 0.00 -2.85 0.00 0.00 60.37 57.72 2khn h HIS 35 Cb -0.06 -0.19 -0.00 0.00 2.57 0.00 0.00 27.41 29.73 2khn h HIS 35 CO -0.03 0.30 -0.17 0.22 -3.07 0.00 0.00 177.93 175.18 2khn h ASP 36 N 0.56 0.46 0.02 3.10 3.58 -1.75 -0.38 116.42 122.00 2khn h ASP 36 Ca 0.27 -0.47 -0.00 0.00 0.42 0.00 0.00 57.03 57.25 2khn h ASP 36 Cb 0.33 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.25 2khn h ASP 36 CO -0.08 0.84 -0.01 -0.61 -2.88 0.00 0.00 179.24 176.50 2khn h GLN 37 N 0.09 -0.02 -0.50 0.28 -0.00 -1.30 -2.31 115.11 111.36 2khn h GLN 37 Ca 0.03 0.00 -0.05 0.00 -0.00 0.00 0.00 58.65 58.64 2khn h GLN 37 Cb 0.70 0.00 -0.02 0.00 0.00 0.00 0.00 27.48 28.16 2khn h GLN 37 CO 0.04 0.07 0.13 1.96 0.00 0.00 0.00 178.83 181.04 2khn h GLN 38 N -0.11 0.79 -0.77 1.69 1.08 -1.02 -2.74 115.11 114.02 2khn h GLN 38 Ca -0.00 -0.18 0.05 0.00 -1.45 0.00 0.00 58.65 57.06 2khn h GLN 38 Cb 0.10 -0.11 -0.05 0.00 -0.05 0.00 0.00 27.48 27.38 2khn h GLN 38 CO 0.00 0.75 0.51 0.35 -0.95 0.00 0.00 178.83 179.49 2khn h PHE 39 N 0.68 0.88 -0.60 2.96 3.04 -0.97 -0.65 116.94 122.28 2khn h PHE 39 Ca 0.16 0.02 -0.07 0.00 3.98 0.00 0.00 57.97 62.06 2khn h PHE 39 Cb 0.31 -0.29 -0.02 0.00 2.56 0.00 0.00 35.95 38.50 2khn h PHE 39 CO 0.02 0.49 0.11 1.25 -2.02 0.00 0.00 178.31 178.16 2khn h HIS 40 N 0.90 1.04 0.00 0.41 2.76 -1.11 -2.44 115.15 116.70 2khn h HIS 40 Ca 0.32 -0.14 0.00 0.00 -2.20 0.00 0.00 60.37 58.35 2khn h HIS 40 Cb 0.13 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 28.80 2khn h HIS 40 CO -0.00 0.90 0.00 1.03 -1.30 0.00 0.00 177.93 178.56 2khn h SER 41 N 0.89 0.00 0.05 3.26 0.87 -1.21 -3.29 113.55 114.12 2khn h SER 41 Ca 0.18 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.74 2khn h SER 41 Cb 0.41 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 2khn h SER 41 CO 0.01 0.00 0.00 -0.11 -0.53 0.00 0.00 176.83 176.20 2khn n LEU 42 N -2.92 0.00 -2.39 2.23 -0.00 -0.32 -4.88 117.00 108.72 2khn n LEU 42 Ca 0.03 0.04 -0.01 0.00 -0.00 0.00 0.00 56.01 56.07 2khn n LEU 42 Cb 0.45 -0.04 0.01 0.00 -0.00 0.00 0.00 43.42 43.84 2khn n LEU 42 CO 0.31 -0.01 0.16 0.29 -0.00 0.00 0.00 177.39 178.14 2khn n LYS 43 N -1.04 -0.83 -2.46 1.96 5.02 -1.24 -4.89 118.16 114.69 2khn n LYS 43 Ca 0.15 0.96 -0.42 0.00 -2.02 0.00 0.00 58.31 56.98 2khn n LYS 43 Cb 0.09 -3.89 -0.03 0.00 -0.02 0.00 0.00 35.03 31.18 2khn n LYS 43 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2khn s PRO 44 N -3.13 4.33 0.10 1.97 0.04 -1.26 -4.90 135.00 132.14 2khn s PRO 44 Ca 0.04 1.66 -0.27 0.00 0.04 0.00 0.00 61.00 62.47 2khn s PRO 44 Cb -0.01 -3.60 -0.12 0.00 0.04 0.00 0.00 34.50 30.82 2khn s PRO 44 CO 0.42 -0.50 1.66 0.82 0.04 0.00 0.00 177.00 179.44 2khn h ILE 45 N 5.12 0.54 0.00 0.56 1.08 -1.92 -3.44 117.51 119.45 2khn h ILE 45 Ca -0.32 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.15 2khn h ILE 45 Cb 1.15 0.54 0.00 0.00 -3.07 0.00 0.00 36.82 35.44 2khn h ILE 45 CO 0.90 0.00 0.00 -1.20 -0.69 0.00 0.00 178.15 177.16 2khn n SER 46 N -5.34 0.00 -2.06 1.72 7.64 -1.26 -4.96 113.62 109.37 2khn n SER 46 Ca -0.08 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.77 2khn n SER 46 Cb 0.25 0.12 0.06 0.00 -1.01 0.00 0.00 64.21 63.63 2khn n SER 46 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2khn n GLY 47 N 0.46 1.25 3.05 0.23 0.00 -1.26 -5.15 105.19 103.78 2khn n GLY 47 Ca 0.00 -0.10 -0.08 0.00 0.00 0.00 0.00 46.02 45.84 2khn n GLY 47 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2khn s PHE 48 N 0.08 0.44 0.18 1.61 0.08 -1.26 -4.94 117.98 114.17 2khn s PHE 48 Ca 0.06 -0.89 0.01 0.00 0.12 0.00 0.00 56.93 56.22 2khn s PHE 48 Cb 0.28 -0.33 -0.04 0.00 -0.57 0.00 0.00 43.02 42.35 2khn s PHE 48 CO -0.08 -0.32 0.05 0.96 -0.10 0.00 0.00 175.22 175.74 2khn s ILE 49 N -3.12 0.42 0.19 0.64 -0.00 -1.26 -3.19 121.20 114.87 2khn s ILE 49 Ca -0.00 -1.97 -0.02 0.00 -0.00 0.00 0.00 60.65 58.66 2khn s ILE 49 Cb 0.02 -2.26 -0.04 0.00 -0.00 0.00 0.00 42.46 40.19 2khn s ILE 49 CO -0.07 -0.31 0.15 0.28 -0.00 0.00 0.00 174.94 174.98 2khn s THR 50 N -3.84 0.02 0.40 8.37 -1.32 -1.26 -4.90 115.64 113.11 2khn s THR 50 Ca 0.29 -1.92 0.06 0.00 -1.21 0.00 0.00 61.69 58.91 2khn s THR 50 Cb 0.07 -2.37 0.27 0.00 -1.51 0.00 0.00 72.50 68.96 2khn s THR 50 CO 0.06 -0.10 2.04 1.23 -2.21 0.00 0.00 174.62 175.65 2khn h GLY 51 N 2.64 0.66 0.92 6.08 0.00 -1.92 -1.17 103.07 110.28 2khn h GLY 51 Ca -0.35 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 46.73 2khn h GLY 51 CO 0.53 0.23 -0.14 -1.80 0.00 0.00 0.00 176.54 175.36 2khn h ASP 52 N 0.62 -0.32 0.43 0.19 3.58 -1.97 -0.39 116.42 118.56 2khn h ASP 52 Ca 0.18 -0.05 -0.12 0.00 0.42 0.00 0.00 57.03 57.46 2khn h ASP 52 Cb -0.02 0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.10 2khn h ASP 52 CO -0.04 -0.16 -0.53 1.56 -2.88 0.00 0.00 179.24 177.20 2khn h GLN 53 N -0.47 0.11 0.19 0.28 4.20 -1.88 -0.03 115.11 117.51 2khn h GLN 53 Ca -0.04 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.60 2khn h GLN 53 Cb 0.35 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 2khn h GLN 53 CO 0.06 0.61 -0.14 0.00 -0.67 0.00 0.00 178.83 178.70 2khn h ALA 54 N 1.38 -0.31 -0.13 3.87 0.00 -1.04 0.76 119.26 123.78 2khn h ALA 54 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2khn h ALA 54 Cb 0.96 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 2khn h ALA 54 CO 0.07 -0.69 0.09 0.00 0.00 0.00 0.00 179.25 178.73 2khn h ARG 55 N -0.33 0.18 -0.96 0.00 3.08 -0.83 -2.88 114.38 112.63 2khn h ARG 55 Ca -0.01 -0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.07 2khn h ARG 55 Cb 0.29 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.24 2khn h ARG 55 CO 0.00 0.12 0.63 -0.97 -1.07 0.00 0.00 179.97 178.68 2khn h ASN 56 N 0.18 1.03 0.85 7.04 -1.24 -0.84 0.26 115.58 122.86 2khn h ASN 56 Ca 0.05 -0.00 -0.04 0.00 0.71 0.00 0.00 56.30 57.01 2khn h ASN 56 Cb -0.02 -0.23 0.01 0.00 0.73 0.00 0.00 38.32 38.81 2khn h ASN 56 CO -0.01 0.69 -0.41 0.15 -1.29 0.00 0.00 177.43 176.56 2khn h PHE 57 N 1.18 -1.06 0.00 0.67 3.57 -0.64 -2.19 116.94 118.47 2khn h PHE 57 Ca 0.40 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.87 2khn h PHE 57 Cb 0.07 0.35 0.00 0.00 2.79 0.00 0.00 35.95 39.16 2khn h PHE 57 CO -0.00 -0.65 0.00 0.27 -2.23 0.00 0.00 178.31 175.70 2khn h PHE 58 N -1.24 0.00 -0.72 0.41 -5.15 -1.42 -2.45 116.94 106.38 2khn h PHE 58 Ca -0.12 0.00 -0.05 0.00 -0.20 0.00 0.00 57.97 57.60 2khn h PHE 58 Cb 0.88 0.00 -0.03 0.00 0.22 0.00 0.00 35.95 37.02 2khn h PHE 58 CO -0.00 0.00 0.25 0.74 -2.00 0.00 0.00 178.31 177.29 2khn h PHE 59 N 0.00 1.13 0.00 6.09 0.04 -0.83 -1.86 116.94 121.51 2khn h PHE 59 Ca 0.00 -0.10 0.00 0.00 2.80 0.00 0.00 57.97 60.67 2khn h PHE 59 Cb 0.69 -0.33 0.00 0.00 2.20 0.00 0.00 35.95 38.51 2khn h PHE 59 CO 0.00 0.89 0.00 1.04 -0.60 0.00 0.00 178.31 179.64 2khn n GLN 60 N -4.31 0.10 0.24 1.51 6.02 -0.83 -2.52 117.38 117.58 2khn n GLN 60 Ca 0.06 0.11 0.14 0.00 -0.01 0.00 0.00 57.00 57.29 2khn n GLN 60 Cb 0.21 -1.50 0.32 0.00 1.02 0.00 0.00 30.24 30.29 2khn n GLN 60 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.06 176.82 2khn h SER 61 N 0.00 0.00 0.00 1.08 0.02 -1.16 -3.47 113.55 110.02 2khn h SER 61 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2khn h SER 61 Cb 0.32 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.86 2khn h SER 61 CO 0.00 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 2khn n GLY 62 N 0.79 0.82 3.89 -3.77 0.00 -1.05 -5.07 105.19 100.79 2khn n GLY 62 Ca 0.03 -0.57 -0.32 0.00 0.00 0.00 0.00 46.02 45.15 2khn n GLY 62 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2khn s LEU 63 N 0.00 4.29 0.71 0.99 1.43 -1.26 -5.08 118.68 119.76 2khn s LEU 63 Ca 0.00 0.63 -0.16 0.00 -1.03 0.00 0.00 54.13 53.58 2khn s LEU 63 Cb 0.00 -3.18 0.03 0.00 0.03 0.00 0.00 46.19 43.07 2khn s LEU 63 CO 0.00 0.10 1.22 -2.84 0.23 0.00 0.00 176.35 175.06 2khn s PRO 64 N -2.40 2.26 0.16 1.29 0.02 -1.26 -4.69 135.00 130.37 2khn s PRO 64 Ca 0.38 1.82 -0.19 0.00 0.02 0.00 0.00 61.00 63.03 2khn s PRO 64 Cb -0.13 -1.84 0.06 0.00 0.02 0.00 0.00 34.50 32.61 2khn s PRO 64 CO 0.22 -1.76 1.66 1.96 -0.33 0.00 0.00 177.00 178.75 2khn h GLN 65 N -0.07 -0.10 -0.69 5.54 4.20 -1.98 0.24 115.11 122.25 2khn h GLN 65 Ca -0.48 0.01 0.10 0.00 0.06 0.00 0.00 58.65 58.33 2khn h GLN 65 Cb 1.30 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 29.06 2khn h GLN 65 CO 0.51 -0.06 0.46 -1.00 -0.67 0.00 0.00 178.83 178.06 2khn h PRO 66 N -0.10 0.54 -0.09 1.46 0.13 -1.98 0.17 132.00 132.12 2khn h PRO 66 Ca 0.16 -0.03 -0.23 0.00 -0.87 0.00 0.00 66.00 65.03 2khn h PRO 66 Cb 0.35 -0.12 0.01 0.00 0.13 0.00 0.00 31.00 31.36 2khn h PRO 66 CO -0.38 0.36 -0.86 0.28 -0.23 0.00 0.00 178.00 177.17 2khn h VAL 67 N 0.56 1.30 0.15 1.56 2.07 -1.45 -1.24 116.25 119.20 2khn h VAL 67 Ca 0.32 -2.10 -0.01 0.00 0.82 0.00 0.00 66.70 65.73 2khn h VAL 67 Cb 0.50 2.13 0.00 0.00 -1.52 0.00 0.00 31.29 32.40 2khn h VAL 67 CO -0.11 0.65 -0.07 -0.07 0.02 0.00 0.00 177.57 178.00 2khn h LEU 68 N 0.45 -0.17 -1.72 2.57 3.38 0.26 -2.29 115.31 117.79 2khn h LEU 68 Ca -0.07 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 2khn h LEU 68 Cb 1.49 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.27 2khn h LEU 68 CO 0.17 -0.03 0.12 0.00 0.09 0.00 0.00 178.44 178.79 2khn h ALA 69 N 0.54 1.79 -0.37 1.53 0.00 -0.74 -1.06 119.26 120.96 2khn h ALA 69 Ca -0.02 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 2khn h ALA 69 Cb 0.24 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2khn h ALA 69 CO 0.03 0.18 0.04 0.37 0.00 0.00 0.00 179.25 179.87 2khn h GLN 70 N 0.30 0.57 0.11 0.00 -0.00 -0.85 0.17 115.11 115.40 2khn h GLN 70 Ca 0.08 -0.11 -0.01 0.00 -0.00 0.00 0.00 58.65 58.61 2khn h GLN 70 Cb 0.02 -0.09 0.00 0.00 0.00 0.00 0.00 27.48 27.41 2khn h GLN 70 CO -0.01 0.57 -0.05 0.82 0.00 0.00 0.00 178.83 180.15 2khn h ILE 71 N 0.55 1.05 -0.51 2.39 2.04 -0.64 -2.97 117.51 119.42 2khn h ILE 71 Ca 0.12 -0.65 -0.09 0.00 1.00 0.00 0.00 64.86 65.24 2khn h ILE 71 Cb 0.30 1.46 -0.02 0.00 -0.74 0.00 0.00 36.82 37.82 2khn h ILE 71 CO 0.01 0.16 -0.03 -0.25 0.00 0.00 0.00 178.15 178.03 2khn h TRP 72 N -0.45 1.01 0.00 1.37 7.01 -1.22 0.14 115.95 123.81 2khn h TRP 72 Ca -0.01 -0.19 -0.01 0.00 2.11 0.00 0.00 58.89 60.79 2khn h TRP 72 Cb 0.37 -0.26 -0.00 0.00 -2.10 0.00 0.00 29.16 27.17 2khn h TRP 72 CO 0.02 0.94 -0.04 0.00 -2.79 0.00 0.00 178.44 176.58 2khn h ALA 73 N 0.93 1.35 0.06 2.65 0.00 -0.74 0.13 119.26 123.64 2khn h ALA 73 Ca 0.14 -0.04 -0.33 0.00 0.00 0.00 0.00 54.91 54.69 2khn h ALA 73 Cb 0.56 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 2khn h ALA 73 CO 0.03 0.05 -1.81 1.28 0.00 0.00 0.00 179.25 178.80 2khn n LEU 74 N -3.64 2.33 0.04 0.00 4.77 -0.96 -4.41 117.00 115.14 2khn n LEU 74 Ca -0.02 0.27 -0.03 0.00 -0.03 0.00 0.00 56.01 56.20 2khn n LEU 74 Cb 0.14 -1.03 0.22 0.00 -2.33 0.00 0.00 43.42 40.42 2khn n LEU 74 CO 0.27 0.63 0.73 0.00 -1.33 0.00 0.00 177.39 177.69 2khn h ALA 75 N -0.22 1.13 -0.46 -1.18 0.00 -0.31 -3.30 119.26 114.92 2khn h ALA 75 Ca -0.43 -0.35 -0.57 0.00 0.00 0.00 0.00 54.91 53.56 2khn h ALA 75 Cb 1.73 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 19.37 2khn h ALA 75 CO -0.07 0.55 2.02 -3.47 0.00 0.00 0.00 179.25 178.28 2khn n ASP 76 N -4.12 3.80 -0.10 0.00 2.03 0.42 -4.60 116.55 113.99 2khn n ASP 76 Ca -0.01 -2.80 -0.12 0.00 0.52 0.00 0.00 54.79 52.39 2khn n ASP 76 Cb 0.41 -1.63 -0.04 0.00 -0.72 0.00 0.00 41.12 39.14 2khn n ASP 76 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 2khn h MET 77 N 8.03 0.56 0.00 -0.67 2.86 -1.87 -1.88 114.93 121.95 2khn h MET 77 Ca 0.39 -0.22 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 2khn h MET 77 Cb 0.82 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.46 2khn h MET 77 CO 1.54 0.78 -0.09 0.27 1.06 0.00 0.00 176.91 180.47 2khn n ASN 78 N -4.48 0.81 -3.56 1.22 6.94 -1.26 -4.76 115.26 110.16 2khn n ASN 78 Ca -0.03 0.51 -0.28 0.00 -0.02 0.00 0.00 54.58 54.76 2khn n ASN 78 Cb 0.33 -0.67 0.02 0.00 -2.36 0.00 0.00 39.78 37.10 2khn n ASN 78 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 2khn n ASN 79 N -2.25 -5.52 -0.00 0.53 4.05 -0.71 -0.24 115.26 111.12 2khn n ASN 79 Ca 0.05 -0.47 0.09 0.00 0.45 0.00 0.00 54.58 54.70 2khn n ASN 79 Cb 0.43 -2.15 -0.11 0.00 1.23 0.00 0.00 39.78 39.19 2khn n ASN 79 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 177.26 173.54 2khn n ASP 80 N -1.39 0.87 0.00 1.20 2.03 -1.26 -3.28 116.55 114.71 2khn n ASP 80 Ca -0.17 -0.90 0.00 0.00 0.52 0.00 0.00 54.79 54.23 2khn n ASP 80 Cb 0.66 1.03 0.00 0.00 -0.72 0.00 0.00 41.12 42.10 2khn n ASP 80 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2khn n GLY 81 N 1.44 1.66 3.65 0.27 0.00 -1.26 -5.03 105.19 105.91 2khn n GLY 81 Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.04 2khn n GLY 81 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2khn s ARG 82 N -0.04 0.15 -0.07 1.61 1.70 -1.26 -4.77 118.95 116.27 2khn s ARG 82 Ca 0.00 0.22 -0.25 0.00 -0.47 0.00 0.00 55.73 55.22 2khn s ARG 82 Cb 0.00 0.05 -0.03 0.00 -0.57 0.00 0.00 34.95 34.40 2khn s ARG 82 CO 0.00 -0.02 0.78 0.00 -1.08 0.00 0.00 175.30 174.97 2khn s MET 83 N 0.66 4.43 0.74 3.89 0.23 -1.26 -4.92 119.30 123.08 2khn s MET 83 Ca -0.02 1.01 -0.03 0.00 -1.03 0.00 0.00 55.69 55.62 2khn s MET 83 Cb -0.04 -3.47 0.15 0.00 -1.53 0.00 0.00 34.83 29.94 2khn s MET 83 CO -0.12 -0.03 1.02 -3.47 -2.03 0.00 0.00 175.02 170.39 2khn n ASP 84 N 4.07 1.08 -0.25 -1.18 2.03 -1.26 -4.68 116.55 116.37 2khn n ASP 84 Ca 0.01 -1.98 0.09 0.00 0.52 0.00 0.00 54.79 53.43 2khn n ASP 84 Cb 0.51 -0.69 0.35 0.00 -0.72 0.00 0.00 41.12 40.57 2khn n ASP 84 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 2khn h GLN 85 N 0.00 0.75 -0.01 -0.67 7.50 -1.96 0.65 115.11 121.37 2khn h GLN 85 Ca -0.34 -0.04 -0.24 0.00 0.50 0.00 0.00 58.65 58.53 2khn h GLN 85 Cb 1.17 -0.17 0.01 0.00 0.05 0.00 0.00 27.48 28.54 2khn h GLN 85 CO 0.33 0.49 -0.97 -0.24 -1.50 0.00 0.00 178.83 176.94 2khn h VAL 86 N 0.77 1.34 -0.11 -0.54 3.04 -1.99 -2.31 116.25 116.45 2khn h VAL 86 Ca 0.40 -2.34 -0.19 0.00 -1.01 0.00 0.00 66.70 63.57 2khn h VAL 86 Cb 0.51 2.37 0.01 0.00 -2.01 0.00 0.00 31.29 32.17 2khn h VAL 86 CO -0.17 0.71 -0.66 -0.33 -1.01 0.00 0.00 177.57 176.11 2khn h GLU 87 N 0.31 0.65 0.00 4.17 4.39 -1.59 -3.00 114.58 119.52 2khn h GLU 87 Ca -0.10 -0.55 -0.03 0.00 0.34 0.00 0.00 59.36 59.03 2khn h GLU 87 Cb 1.61 0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 30.38 2khn h GLU 87 CO 0.18 1.16 -0.12 0.35 -1.16 0.00 0.00 179.01 179.42 2khn h PHE 88 N 0.31 0.00 0.00 4.33 3.57 0.19 -2.64 116.94 122.70 2khn h PHE 88 Ca -0.05 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.45 2khn h PHE 88 Cb 1.31 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.05 2khn h PHE 88 CO 0.10 0.12 0.00 1.03 -2.23 0.00 0.00 178.31 177.34 2khn h SER 89 N 0.00 0.00 0.00 0.41 0.87 -1.26 -0.67 113.55 112.90 2khn h SER 89 Ca -0.00 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.53 2khn h SER 89 Cb 0.25 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.21 2khn h SER 89 CO 0.02 0.00 -1.80 0.00 -0.53 0.00 0.00 176.83 174.51 2khn n ILE 90 N -2.32 0.10 0.26 2.23 3.06 -0.99 -4.41 119.36 117.29 2khn n ILE 90 Ca -0.01 -0.41 0.14 0.00 -2.50 0.00 0.00 62.75 59.96 2khn n ILE 90 Cb 0.05 0.05 0.68 0.00 0.54 0.00 0.00 39.64 40.96 2khn n ILE 90 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2khn h ALA 91 N 1.47 1.11 -0.92 1.51 0.00 -1.17 -3.14 119.26 118.11 2khn h ALA 91 Ca -0.04 -0.10 0.23 0.00 0.00 0.00 0.00 54.91 54.99 2khn h ALA 91 Cb 0.89 -0.02 -0.12 0.00 0.00 0.00 0.00 17.79 18.53 2khn h ALA 91 CO 0.00 0.14 0.45 0.00 0.00 0.00 0.00 179.25 179.84 2khn h MET 92 N 0.00 0.44 0.00 0.00 -0.00 -1.75 -1.73 114.93 111.89 2khn h MET 92 Ca -0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 59.70 59.67 2khn h MET 92 Cb 0.47 -0.10 0.00 0.00 -0.00 0.00 0.00 31.60 31.97 2khn h MET 92 CO 0.01 0.29 -1.18 0.36 -0.00 0.00 0.00 176.91 176.39 2khn n LYS 93 N -5.00 0.21 -0.05 -0.10 -0.00 -1.19 -3.91 118.16 108.13 2khn n LYS 93 Ca 0.23 -0.04 -0.14 0.00 -0.00 0.00 0.00 58.31 58.37 2khn n LYS 93 Cb 0.68 -1.53 -0.08 0.00 -0.00 0.00 0.00 35.03 34.10 2khn n LYS 93 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 2khn h LEU 94 N 0.00 0.37 -0.56 -5.58 4.07 -1.42 -0.85 115.31 111.33 2khn h LEU 94 Ca 0.00 -0.53 -0.05 0.00 0.08 0.00 0.00 57.88 57.38 2khn h LEU 94 Cb 0.66 -0.11 -0.02 0.00 1.08 0.00 0.00 40.66 42.27 2khn h LEU 94 CO 0.00 0.83 0.15 0.40 -1.08 0.00 0.00 178.44 178.73 2khn h ILE 95 N -0.07 1.25 -0.81 1.22 2.04 -1.70 0.11 117.51 119.53 2khn h ILE 95 Ca 0.01 -0.87 0.01 0.00 1.00 0.00 0.00 64.86 65.02 2khn h ILE 95 Cb 0.75 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 37.52 2khn h ILE 95 CO 0.04 0.32 0.54 0.50 0.00 0.00 0.00 178.15 179.55 2khn h LYS 96 N 0.80 1.06 0.22 2.37 3.11 -1.66 -1.03 116.57 121.44 2khn h LYS 96 Ca 0.18 -0.06 -0.33 0.00 -2.81 0.00 0.00 60.65 57.63 2khn h LYS 96 Cb 0.33 -0.24 0.03 0.00 -1.00 0.00 0.00 32.23 31.35 2khn h LYS 96 CO 0.00 0.70 -1.47 1.25 -2.81 0.00 0.00 179.45 177.12 2khn h LEU 97 N 1.09 0.72 -1.06 5.20 5.85 -0.78 -3.31 115.31 123.03 2khn h LEU 97 Ca 0.30 -0.80 -0.10 0.00 0.84 0.00 0.00 57.88 58.12 2khn h LEU 97 Cb -0.11 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.67 2khn h LEU 97 CO -0.07 1.64 -0.47 0.11 -0.34 0.00 0.00 178.44 179.31 2khn h LYS 98 N 0.13 0.00 0.00 1.25 1.57 -0.57 -0.84 116.57 118.11 2khn h LYS 98 Ca -0.24 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 2khn h LYS 98 Cb 2.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.43 2khn h LYS 98 CO 0.25 0.47 0.00 1.28 -0.57 0.00 0.00 179.45 180.88 2khn n LEU 99 N -3.98 0.56 -0.23 2.94 4.77 -0.41 -1.07 117.00 119.57 2khn n LEU 99 Ca -0.02 0.67 0.13 0.00 -0.03 0.00 0.00 56.01 56.77 2khn n LEU 99 Cb 0.49 -0.64 0.34 0.00 -2.33 0.00 0.00 43.42 41.27 2khn n LEU 99 CO 0.40 -0.65 0.60 1.67 -1.33 0.00 0.00 177.39 178.08 2khn n GLN 100 N -2.15 0.76 -0.45 3.23 -0.06 -0.32 -4.95 117.38 113.43 2khn n GLN 100 Ca 0.01 -0.46 0.00 0.00 -2.00 0.00 0.00 57.00 54.55 2khn n GLN 100 Cb 0.16 -1.49 0.00 0.00 -4.06 0.00 0.00 30.24 24.85 2khn n GLN 100 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2khn n GLY 101 N 1.36 0.72 3.17 1.69 0.00 -0.24 -5.12 105.19 106.77 2khn n GLY 101 Ca 0.11 -0.43 -0.11 0.00 0.00 0.00 0.00 46.02 45.60 2khn n GLY 101 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2khn s TYR 102 N -1.92 0.91 0.14 1.61 2.02 -1.23 -5.03 117.35 113.85 2khn s TYR 102 Ca 0.00 -1.04 -0.04 0.00 -0.37 0.00 0.00 57.07 55.62 2khn s TYR 102 Cb 0.00 -0.54 -0.03 0.00 -0.40 0.00 0.00 41.96 40.99 2khn s TYR 102 CO 0.00 -0.29 0.13 1.14 -1.57 0.00 0.00 175.55 174.96 2khn s GLN 103 N -3.92 1.00 0.16 -0.62 0.00 -1.26 -4.53 119.66 110.48 2khn s GLN 103 Ca 0.17 -1.34 -0.02 0.00 -0.00 0.00 0.00 55.36 54.17 2khn s GLN 103 Cb 0.06 0.29 -0.04 0.00 0.00 0.00 0.00 33.01 33.32 2khn s GLN 103 CO -0.02 -0.31 0.10 -0.51 0.00 0.00 0.00 175.29 174.55 2khn s LEU 104 N -3.02 1.48 0.00 2.60 1.02 -1.26 -5.13 118.68 114.37 2khn s LEU 104 Ca 0.21 -1.25 0.00 0.00 0.02 0.00 0.00 54.13 53.11 2khn s LEU 104 Cb 0.06 0.40 0.00 0.00 0.02 0.00 0.00 46.19 46.67 2khn s LEU 104 CO 0.01 -0.78 0.00 -2.65 0.02 0.00 0.00 176.35 172.94 2khn n PRO 105 N -0.17 -0.71 0.00 1.29 -0.02 -1.26 -4.96 135.00 129.18 2khn n PRO 105 Ca -0.03 0.00 0.14 0.00 -2.02 0.00 0.00 63.50 61.59 2khn n PRO 105 Cb 0.64 0.00 0.57 0.00 -0.02 0.00 0.00 33.50 34.69 2khn n PRO 105 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2khn n SER 106 N -2.92 0.56 -3.99 2.55 7.64 -1.26 -4.67 113.62 111.52 2khn n SER 106 Ca 0.00 -0.62 -0.30 0.00 1.01 0.00 0.00 58.87 58.96 2khn n SER 106 Cb 0.00 -0.04 -0.16 0.00 -1.01 0.00 0.00 64.21 63.00 2khn n SER 106 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2khn s ALA 107 N -2.49 1.94 0.33 -0.43 0.00 -1.26 -4.69 121.76 115.17 2khn s ALA 107 Ca 0.28 -1.13 -0.06 0.00 0.00 0.00 0.00 51.96 51.05 2khn s ALA 107 Cb 0.20 -1.23 -0.05 0.00 0.00 0.00 0.00 23.12 22.03 2khn s ALA 107 CO 0.48 -0.74 0.63 -0.48 0.00 0.00 0.00 175.76 175.65 2khn s LEU 108 N 1.43 3.97 0.71 0.00 0.05 -1.26 -5.06 118.68 118.52 2khn s LEU 108 Ca -0.00 0.83 -0.16 0.00 0.05 0.00 0.00 54.13 54.85 2khn s LEU 108 Cb -0.16 -3.68 0.00 0.00 -2.05 0.00 0.00 46.19 40.31 2khn s LEU 108 CO -0.09 -0.28 0.96 -2.65 -0.55 0.00 0.00 176.35 173.75 2khn n PRO 109 N -1.14 0.54 0.21 1.48 -0.02 -1.26 -4.89 135.00 129.92 2khn n PRO 109 Ca -0.01 0.24 0.15 0.00 -2.02 0.00 0.00 63.50 61.86 2khn n PRO 109 Cb 0.54 -2.21 0.63 0.00 -0.02 0.00 0.00 33.50 32.44 2khn n PRO 109 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2khn h PRO 110 N -0.18 0.00 0.00 0.52 0.11 -1.96 -2.65 132.00 127.84 2khn h PRO 110 Ca -0.47 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.58 2khn h PRO 110 Cb 1.34 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.44 2khn h PRO 110 CO 0.47 0.00 -0.26 0.28 -0.21 0.00 0.00 178.00 178.28 2khn h VAL 111 N 0.00 0.81 0.00 3.15 2.07 -1.87 0.29 116.25 120.70 2khn h VAL 111 Ca 0.00 -1.06 -0.08 0.00 0.82 0.00 0.00 66.70 66.38 2khn h VAL 111 Cb 0.39 1.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 2khn h VAL 111 CO 0.00 0.26 -0.39 0.24 0.02 0.00 0.00 177.57 177.70 2khn h MET 112 N 0.00 0.00 -0.01 1.57 2.86 -1.46 -3.11 114.93 114.78 2khn h MET 112 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2khn h MET 112 Cb 0.62 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.28 2khn h MET 112 CO 0.03 0.39 -0.39 0.36 1.06 0.00 0.00 176.91 178.37 2khn n LYS 113 N -3.42 1.99 -0.33 1.72 2.85 -0.97 -4.94 118.16 115.06 2khn n LYS 113 Ca 0.00 -0.55 0.04 0.00 -1.05 0.00 0.00 58.31 56.76 2khn n LYS 113 Cb 0.56 -1.20 -0.01 0.00 -0.65 0.00 0.00 35.03 33.74 2khn n LYS 113 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 2khn n GLN 114 N -0.47 -0.66 -2.83 -1.58 6.02 0.05 -4.98 117.38 112.94 2khn n GLN 114 Ca 0.05 0.44 -0.10 0.00 -0.01 0.00 0.00 57.00 57.38 2khn n GLN 114 Cb 0.28 -0.81 0.01 0.00 1.02 0.00 0.00 30.24 30.74 2khn n GLN 114 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2khn n GLN 115 N -2.23 -0.62 -1.66 -1.09 10.64 -1.26 -4.81 117.38 116.34 2khn n GLN 115 Ca 0.00 0.79 -0.45 0.00 -1.83 0.00 0.00 57.00 55.51 2khn n GLN 115 Cb 0.15 -1.06 -0.03 0.00 -0.86 0.00 0.00 30.24 28.45 2khn n GLN 115 CO 0.00 0.00 0.00 -2.30 -1.83 0.00 0.00 177.06 172.93 2khn n PRO 116 N 0.76 1.94 -3.11 2.61 -0.02 -1.26 -4.96 135.00 130.96 2khn n PRO 116 Ca -0.02 0.69 -0.38 0.00 -2.02 0.00 0.00 63.50 61.77 2khn n PRO 116 Cb 0.46 -2.33 -0.06 0.00 -0.02 0.00 0.00 33.50 31.55 2khn n PRO 116 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2khn s VAL 117 N -0.11 4.56 -2.34 -1.45 -7.23 -1.26 -4.95 120.40 107.61 2khn s VAL 117 Ca 0.68 1.38 0.22 0.00 -1.81 0.00 0.00 61.98 62.45 2khn s VAL 117 Cb -0.67 -3.95 0.46 0.00 0.56 0.00 0.00 36.38 32.78 2khn s VAL 117 CO 0.50 0.39 1.56 0.00 -0.31 0.00 0.00 175.10 177.24 2khn n ALA 118 N 1.22 2.52 -2.79 1.32 0.00 -1.26 -4.76 120.51 116.75 2khn n ALA 118 Ca -0.05 -0.56 -0.43 0.00 0.00 0.00 0.00 53.44 52.40 2khn n ALA 118 Cb 0.50 -1.07 -0.04 0.00 0.00 0.00 0.00 19.45 18.84 2khn n ALA 118 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2khn s ILE 119 N -1.80 4.41 0.04 0.00 -1.09 -1.26 -5.00 121.20 116.50 2khn s ILE 119 Ca 0.33 -0.20 0.02 0.00 -2.23 0.00 0.00 60.65 58.57 2khn s ILE 119 Cb 0.18 -4.60 -0.02 0.00 -1.58 0.00 0.00 42.46 36.45 2khn s ILE 119 CO 0.28 -1.28 -0.07 -0.55 -1.23 0.00 0.00 174.94 172.09 2khn s SER 120 N 3.33 0.81 0.00 3.58 0.15 -1.26 -5.26 113.70 115.05 2khn s SER 120 Ca 0.23 -0.52 0.00 0.00 0.70 0.00 0.00 55.95 56.36 2khn s SER 120 Cb -0.16 0.03 0.00 0.00 -1.71 0.00 0.00 66.02 64.18 2khn s SER 120 CO 0.13 -0.19 0.00 -1.20 1.20 0.00 0.00 173.24 173.17