#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2khn n GLY 2 N 0.00 0.76 3.56 3.03 0.00 -1.26 -4.95 105.19 106.34 2khn n GLY 2 Ca 0.00 -0.66 -0.38 0.00 0.00 0.00 0.00 46.02 44.98 2khn n GLY 2 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2khn s HIS 3 N -2.84 2.42 -0.34 1.61 2.46 -1.26 -4.80 115.29 112.54 2khn s HIS 3 Ca 0.03 -0.66 0.01 0.00 0.47 0.00 0.00 55.06 54.91 2khn s HIS 3 Cb -0.01 -4.57 0.14 0.00 -0.13 0.00 0.00 32.58 28.01 2khn s HIS 3 CO 0.04 -1.86 0.31 -3.38 -2.47 0.00 0.00 174.74 167.39 2khn s HIS 4 N 5.97 -0.16 -0.29 3.88 0.00 -1.26 -5.10 115.29 118.33 2khn s HIS 4 Ca 0.52 -0.75 -0.02 0.00 -3.00 0.00 0.00 55.06 51.81 2khn s HIS 4 Cb -0.01 -0.53 0.12 0.00 -4.00 0.00 0.00 32.58 28.17 2khn s HIS 4 CO -0.05 -0.93 0.22 -1.58 -1.00 0.00 0.00 174.74 171.40 2khn s HIS 5 N 1.69 -0.10 -0.07 0.38 5.65 -1.26 -5.12 115.29 116.46 2khn s HIS 5 Ca 0.14 -0.48 0.01 0.00 0.25 0.00 0.00 55.06 54.98 2khn s HIS 5 Cb -0.16 -0.66 0.02 0.00 -1.18 0.00 0.00 32.58 30.60 2khn s HIS 5 CO -0.13 -0.87 -0.07 -1.01 -0.65 0.00 0.00 174.74 172.01 2khn s HIS 6 N 2.24 1.10 -0.06 3.88 0.09 -1.26 -5.13 115.29 116.15 2khn s HIS 6 Ca 0.09 -0.42 -0.20 0.00 -0.00 0.00 0.00 55.06 54.53 2khn s HIS 6 Cb -0.15 -0.93 0.04 0.00 -0.00 0.00 0.00 32.58 31.54 2khn s HIS 6 CO -0.34 -0.31 0.45 -1.58 -0.00 0.00 0.00 174.74 172.96 2khn s HIS 7 N 1.21 -0.39 -0.09 1.40 5.65 -1.26 -5.16 115.29 116.64 2khn s HIS 7 Ca -0.06 0.74 0.04 0.00 0.25 0.00 0.00 55.06 56.03 2khn s HIS 7 Cb -0.14 0.21 -0.00 0.00 -1.18 0.00 0.00 32.58 31.46 2khn s HIS 7 CO -0.02 -0.42 -0.24 -1.58 -0.65 0.00 0.00 174.74 171.83 2khn s HIS 8 N -0.95 2.49 -0.02 3.88 5.65 -1.26 -5.12 115.29 119.96 2khn s HIS 8 Ca -0.10 -0.96 -0.04 0.00 0.25 0.00 0.00 55.06 54.21 2khn s HIS 8 Cb -0.03 -1.66 0.00 0.00 -1.18 0.00 0.00 32.58 29.71 2khn s HIS 8 CO 0.05 -0.37 0.09 -1.12 -0.65 0.00 0.00 174.74 172.74 2khn s SER 9 N 0.24 -0.04 -0.04 9.88 0.01 -1.26 -5.15 113.70 117.35 2khn s SER 9 Ca -0.16 0.04 -0.00 0.00 1.31 0.00 0.00 55.95 57.14 2khn s SER 9 Cb -0.17 0.19 0.03 0.00 0.21 0.00 0.00 66.02 66.27 2khn s SER 9 CO 0.08 -0.12 0.01 -1.00 0.41 0.00 0.00 173.24 172.62 2khn s HIS 10 N -0.37 0.32 -0.36 2.43 0.09 -1.26 -5.09 115.29 111.04 2khn s HIS 10 Ca -0.04 0.03 0.01 0.00 -0.00 0.00 0.00 55.06 55.05 2khn s HIS 10 Cb -0.03 -0.49 0.15 0.00 -0.00 0.00 0.00 32.58 32.21 2khn s HIS 10 CO 0.00 -0.18 0.24 1.41 -0.00 0.00 0.00 174.74 176.22 2khn s MET 11 N 1.43 0.62 -0.15 1.40 -2.45 -1.26 -5.10 119.30 113.79 2khn s MET 11 Ca -0.04 -1.47 0.01 0.00 -1.25 0.00 0.00 55.69 52.93 2khn s MET 11 Cb -0.13 -1.30 0.02 0.00 1.25 0.00 0.00 34.83 34.67 2khn s MET 11 CO -0.03 -1.25 -0.15 0.00 1.05 0.00 0.00 175.02 174.64 2khn s ALA 12 N 0.87 1.89 -0.27 4.11 0.00 -1.26 -5.08 121.76 122.03 2khn s ALA 12 Ca 0.21 -0.92 -0.00 0.00 0.00 0.00 0.00 51.96 51.25 2khn s ALA 12 Cb -0.17 -1.03 0.15 0.00 0.00 0.00 0.00 23.12 22.07 2khn s ALA 12 CO -0.04 -0.32 0.40 -1.14 0.00 0.00 0.00 175.76 174.66 2khn s GLN 13 N 1.38 0.39 -0.18 0.00 0.74 -1.26 -5.14 119.66 115.59 2khn s GLN 13 Ca 0.03 0.36 0.00 0.00 0.05 0.00 0.00 55.36 55.80 2khn s GLN 13 Cb -0.13 -0.34 0.04 0.00 1.10 0.00 0.00 33.01 33.67 2khn s GLN 13 CO -0.09 -0.84 -0.10 0.12 -0.55 0.00 0.00 175.29 173.83 2khn s PHE 14 N 2.56 2.20 0.23 1.67 5.36 -1.26 -5.12 117.98 123.63 2khn s PHE 14 Ca 0.12 -1.41 -0.22 0.00 -0.96 0.00 0.00 56.93 54.45 2khn s PHE 14 Cb -0.14 -1.55 -0.09 0.00 -0.34 0.00 0.00 43.02 40.90 2khn s PHE 14 CO -0.23 -0.70 0.78 -1.25 -1.46 0.00 0.00 175.22 172.36 2khn s PRO 15 N 1.47 4.39 -0.41 10.12 0.04 -1.26 -5.06 135.00 144.29 2khn s PRO 15 Ca 0.00 1.03 0.02 0.00 0.04 0.00 0.00 61.00 62.09 2khn s PRO 15 Cb -0.15 -2.94 0.14 0.00 0.04 0.00 0.00 34.50 31.58 2khn s PRO 15 CO -0.08 0.41 0.24 0.95 0.04 0.00 0.00 177.00 178.55 2khn s THR 16 N -1.47 0.94 0.60 1.26 -4.23 -1.26 -5.13 115.64 106.35 2khn s THR 16 Ca 0.43 -2.31 -0.02 0.00 -1.18 0.00 0.00 61.69 58.61 2khn s THR 16 Cb -0.18 -1.66 0.12 0.00 1.34 0.00 0.00 72.50 72.12 2khn s THR 16 CO 0.23 -0.95 0.82 -0.81 -0.54 0.00 0.00 174.62 173.36 2khn n PRO 17 N 3.64 -0.12 -3.69 3.99 -0.04 -1.26 -5.14 135.00 132.38 2khn n PRO 17 Ca 0.11 -2.02 -0.14 0.00 -0.04 0.00 0.00 63.50 61.41 2khn n PRO 17 Cb 0.36 -0.60 -0.08 0.00 -0.04 0.00 0.00 33.50 33.14 2khn n PRO 17 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2khn s PHE 18 N -2.49 -0.29 0.00 0.54 -0.71 -1.26 -5.17 117.98 108.60 2khn s PHE 18 Ca 0.52 0.42 0.00 0.00 -1.04 0.00 0.00 56.93 56.83 2khn s PHE 18 Cb -0.03 0.19 0.00 0.00 -1.21 0.00 0.00 43.02 41.97 2khn s PHE 18 CO 0.35 -0.48 0.00 0.41 -1.34 0.00 0.00 175.22 174.16 2khn n GLY 19 N 1.00 2.39 5.15 1.99 0.00 -1.26 -5.17 105.19 109.29 2khn n GLY 19 Ca -0.20 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.82 2.38 -0.02 0.00 -1.26 -4.96 105.19 99.51 2khn n GLY 20 Ca 0.00 -1.55 -0.15 0.00 0.00 0.00 0.00 46.02 44.32 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 0.41 -4.73 -1.51 1.61 7.64 -1.26 -4.95 113.62 110.83 2khn n SER 21 Ca 0.00 0.23 -0.04 0.00 1.01 0.00 0.00 58.87 60.08 2khn n SER 21 Cb 0.00 -3.67 -0.01 0.00 -1.01 0.00 0.00 64.21 59.52 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 -1.88 0.00 -2.32 -3.43 7.94 -1.26 -4.90 117.00 111.14 2khn n LEU 22 Ca -0.16 -0.72 -0.16 0.00 -1.11 0.00 0.00 56.01 53.86 2khn n LEU 22 Cb 0.55 0.67 -0.01 0.00 0.53 0.00 0.00 43.42 45.15 2khn n LEU 22 CO 0.22 -0.17 -0.20 0.47 -1.11 0.00 0.00 177.39 176.60 2khn n ASP 23 N -1.95 -4.66 0.03 1.96 8.00 -1.26 -4.86 116.55 113.81 2khn n ASP 23 Ca 0.00 0.14 -0.19 0.00 0.71 0.00 0.00 54.79 55.45 2khn n ASP 23 Cb 0.15 -3.95 -0.09 0.00 -0.02 0.00 0.00 41.12 37.21 2khn n ASP 23 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 2khn h THR 24 N 0.00 1.29 0.00 -3.53 2.02 -2.01 -3.28 112.91 107.40 2khn h THR 24 Ca -0.37 -2.18 -0.02 0.00 0.77 0.00 0.00 66.41 64.61 2khn h THR 24 Cb 1.25 2.26 -0.00 0.00 -1.74 0.00 0.00 68.15 69.91 2khn h THR 24 CO 0.45 0.68 -1.46 0.79 0.37 0.00 0.00 175.52 176.35 2khn n TRP 25 N -3.87 0.57 -2.19 3.16 7.02 -1.26 -4.91 117.44 115.96 2khn n TRP 25 Ca -0.09 0.17 -0.39 0.00 -1.02 0.00 0.00 57.50 56.16 2khn n TRP 25 Cb 0.84 -0.79 -0.01 0.00 -2.42 0.00 0.00 31.31 28.92 2khn n TRP 25 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2khn s ALA 26 N -3.37 3.22 -0.82 6.99 0.00 -1.24 -4.28 121.76 122.26 2khn s ALA 26 Ca -0.04 1.09 -0.10 0.00 0.00 0.00 0.00 51.96 52.91 2khn s ALA 26 Cb 0.11 -3.43 0.21 0.00 0.00 0.00 0.00 23.12 20.02 2khn s ALA 26 CO 0.84 -0.65 0.73 0.42 0.00 0.00 0.00 175.76 177.11 2khn s ILE 27 N -1.32 5.16 1.04 0.00 1.01 -1.26 -4.96 121.20 120.86 2khn s ILE 27 Ca 0.56 -2.78 -0.16 0.00 0.00 0.00 0.00 60.65 58.26 2khn s ILE 27 Cb -0.34 -4.20 0.22 0.00 0.01 0.00 0.00 42.46 38.14 2khn s ILE 27 CO 0.44 -1.02 1.22 -0.89 0.00 0.00 0.00 174.94 174.69 2khn s THR 28 N -0.15 1.86 0.35 2.92 2.01 -1.26 -4.68 115.64 116.69 2khn s THR 28 Ca 0.20 0.00 0.08 0.00 0.31 0.00 0.00 61.69 62.28 2khn s THR 28 Cb -0.12 -2.78 0.32 0.00 0.01 0.00 0.00 72.50 69.92 2khn s THR 28 CO -0.08 0.00 1.88 0.58 -0.69 0.00 0.00 174.62 176.31 2khn h VAL 29 N -1.94 0.87 -0.62 3.82 2.07 -1.98 0.25 116.25 118.72 2khn h VAL 29 Ca -0.46 -0.25 -0.06 0.00 0.82 0.00 0.00 66.70 66.76 2khn h VAL 29 Cb 1.27 0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 2khn h VAL 29 CO 0.41 0.13 0.17 -0.33 0.02 0.00 0.00 177.57 177.97 2khn h GLU 30 N 0.72 0.98 -0.01 1.57 5.08 -1.97 0.40 114.58 121.34 2khn h GLU 30 Ca 0.43 -0.23 -0.15 0.00 -1.00 0.00 0.00 59.36 58.41 2khn h GLU 30 Cb 0.64 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 2khn h GLU 30 CO -0.19 0.89 -0.69 0.93 -1.00 0.00 0.00 179.01 178.95 2khn h GLU 31 N 0.90 0.06 0.15 2.33 4.39 -1.52 -0.54 114.58 120.35 2khn h GLU 31 Ca 0.20 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.84 2khn h GLU 31 Cb 0.33 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 2khn h GLU 31 CO -0.00 0.72 -0.07 -0.09 -1.16 0.00 0.00 179.01 178.41 2khn h ARG 32 N 0.04 -0.19 0.00 2.33 2.43 -0.15 -2.96 114.38 115.88 2khn h ARG 32 Ca -0.01 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2khn h ARG 32 Cb 1.22 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.82 2khn h ARG 32 CO 0.09 0.16 -0.00 0.00 -1.51 0.00 0.00 179.97 178.71 2khn h ALA 33 N 0.20 1.00 -0.96 2.80 0.00 -0.18 -2.48 119.26 119.64 2khn h ALA 33 Ca -0.02 -0.00 0.09 0.00 0.00 0.00 0.00 54.91 54.98 2khn h ALA 33 Cb 0.44 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.16 2khn h ALA 33 CO 0.03 0.00 0.62 -0.22 0.00 0.00 0.00 179.25 179.68 2khn h LYS 34 N 0.00 1.01 -0.17 0.00 1.63 -0.91 -2.37 116.57 115.76 2khn h LYS 34 Ca -0.00 -0.06 0.05 0.00 -0.85 0.00 0.00 60.65 59.79 2khn h LYS 34 Cb 0.14 -0.23 -0.01 0.00 -0.60 0.00 0.00 32.23 31.54 2khn h LYS 34 CO 0.00 0.67 0.15 1.12 -3.45 0.00 0.00 179.45 177.93 2khn h HIS 35 N 1.04 0.00 0.48 1.91 2.07 -1.53 -1.10 115.15 118.02 2khn h HIS 35 Ca 0.44 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.94 2khn h HIS 35 Cb 0.32 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.30 2khn h HIS 35 CO -0.00 0.00 -0.23 0.22 -3.07 0.00 0.00 177.93 174.85 2khn h ASP 36 N 0.00 -0.55 -0.35 3.10 1.82 -1.63 0.36 116.42 119.17 2khn h ASP 36 Ca 0.08 -0.04 -0.09 0.00 -0.39 0.00 0.00 57.03 56.58 2khn h ASP 36 Cb 0.38 0.14 -0.01 0.00 0.68 0.00 0.00 39.33 40.52 2khn h ASP 36 CO -0.00 -0.29 -0.15 -0.61 -1.61 0.00 0.00 179.24 176.58 2khn h GLN 37 N -0.79 0.72 0.04 0.28 -0.00 -1.56 -2.04 115.11 111.76 2khn h GLN 37 Ca -0.07 -0.31 0.01 0.00 -0.00 0.00 0.00 58.65 58.29 2khn h GLN 37 Cb 0.56 -0.02 -0.01 0.00 0.00 0.00 0.00 27.48 28.00 2khn h GLN 37 CO 0.11 0.91 -0.08 1.96 0.00 0.00 0.00 178.83 181.72 2khn h GLN 38 N 0.50 -0.16 -0.47 1.69 1.08 -1.20 0.23 115.11 116.78 2khn h GLN 38 Ca 0.08 0.01 -0.05 0.00 -1.45 0.00 0.00 58.65 57.24 2khn h GLN 38 Cb 0.68 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 28.13 2khn h GLN 38 CO 0.05 -0.10 0.07 0.35 -0.95 0.00 0.00 178.83 178.24 2khn h PHE 39 N -0.16 0.75 -0.08 2.96 3.57 -0.94 -0.02 116.94 123.02 2khn h PHE 39 Ca 0.02 -0.08 -0.13 0.00 3.53 0.00 0.00 57.97 61.31 2khn h PHE 39 Cb 0.18 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.69 2khn h PHE 39 CO -0.13 0.67 -0.54 0.45 -2.23 0.00 0.00 178.31 176.53 2khn h HIS 40 N 0.70 0.29 0.00 0.41 3.86 -0.85 -2.28 115.15 117.27 2khn h HIS 40 Ca 0.15 -0.10 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 2khn h HIS 40 Cb 0.33 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 28.74 2khn h HIS 40 CO 0.02 0.73 0.00 1.03 0.86 0.00 0.00 177.93 180.56 2khn h SER 41 N 0.18 0.00 0.56 2.45 0.87 -0.01 -2.94 113.55 114.65 2khn h SER 41 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2khn h SER 41 Cb 1.02 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.98 2khn h SER 41 CO 0.08 0.00 0.00 -0.11 -0.53 0.00 0.00 176.83 176.27 2khn n LEU 42 N -3.00 0.02 -2.92 2.23 7.94 -0.07 -4.95 117.00 116.25 2khn n LEU 42 Ca 0.03 0.50 -0.11 0.00 -1.11 0.00 0.00 56.01 55.32 2khn n LEU 42 Cb 0.45 -0.50 0.01 0.00 0.53 0.00 0.00 43.42 43.92 2khn n LEU 42 CO 0.31 -0.23 -0.04 1.17 -1.11 0.00 0.00 177.39 177.50 2khn n LYS 43 N -1.52 -2.40 -2.35 1.96 4.81 -1.11 -4.94 118.16 112.61 2khn n LYS 43 Ca 0.04 2.08 -0.35 0.00 -0.87 0.00 0.00 58.31 59.21 2khn n LYS 43 Cb 0.19 -5.18 -0.01 0.00 0.02 0.00 0.00 35.03 30.05 2khn n LYS 43 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2khn s PRO 44 N -2.50 3.53 0.09 1.64 0.04 -1.26 -4.96 135.00 131.59 2khn s PRO 44 Ca 0.25 1.54 -0.15 0.00 0.04 0.00 0.00 61.00 62.68 2khn s PRO 44 Cb -0.06 -2.06 -0.10 0.00 0.04 0.00 0.00 34.50 32.31 2khn s PRO 44 CO 0.78 -0.69 1.39 0.82 0.04 0.00 0.00 177.00 179.34 2khn h ILE 45 N 1.37 1.31 0.00 0.56 2.04 -1.38 -3.40 117.51 118.00 2khn h ILE 45 Ca -0.50 -1.53 0.00 0.00 1.00 0.00 0.00 64.86 63.83 2khn h ILE 45 Cb 1.25 1.68 0.00 0.00 -0.74 0.00 0.00 36.82 39.00 2khn h ILE 45 CO 0.58 0.49 -0.05 -0.24 0.00 0.00 0.00 178.15 178.92 2khn n SER 46 N -4.23 0.00 0.00 1.72 2.88 -1.26 -4.93 113.62 107.80 2khn n SER 46 Ca -0.05 -1.11 0.00 0.00 -1.33 0.00 0.00 58.87 56.39 2khn n SER 46 Cb 0.51 -0.02 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 2khn n SER 46 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2khn n GLY 47 N 0.00 1.50 3.54 0.46 0.00 -1.26 -5.12 105.19 104.31 2khn n GLY 47 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 2khn n GLY 47 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2khn s PHE 48 N -1.38 2.45 0.20 1.61 -0.71 -1.26 -4.92 117.98 113.96 2khn s PHE 48 Ca 0.00 -0.29 0.02 0.00 -1.04 0.00 0.00 56.93 55.62 2khn s PHE 48 Cb 0.00 -1.08 -0.01 0.00 -1.21 0.00 0.00 43.02 40.73 2khn s PHE 48 CO 0.00 0.67 0.08 0.44 -1.34 0.00 0.00 175.22 175.07 2khn n ILE 49 N -0.69 0.00 -3.83 -4.49 -6.64 -1.26 -0.86 119.36 101.59 2khn n ILE 49 Ca -0.06 -1.17 -0.07 0.00 -1.77 0.00 0.00 62.75 59.69 2khn n ILE 49 Cb 0.59 0.44 -0.00 0.00 -1.44 0.00 0.00 39.64 39.23 2khn n ILE 49 CO 0.00 0.00 0.00 0.28 -1.77 0.00 0.00 176.55 175.06 2khn s THR 50 N -2.34 0.00 0.15 7.28 -1.32 -1.26 -4.95 115.64 113.20 2khn s THR 50 Ca 0.11 -0.93 -0.15 0.00 -1.21 0.00 0.00 61.69 59.51 2khn s THR 50 Cb 0.01 -2.31 0.02 0.00 -1.51 0.00 0.00 72.50 68.71 2khn s THR 50 CO 0.08 0.00 1.75 1.23 -2.21 0.00 0.00 174.62 175.47 2khn h GLY 51 N 2.00 0.65 0.98 6.08 0.00 -1.90 -1.50 103.07 109.39 2khn h GLY 51 Ca -0.24 -0.30 0.01 0.00 0.00 0.00 0.00 47.33 46.80 2khn h GLY 51 CO 0.29 0.29 0.44 -1.80 0.00 0.00 0.00 176.54 175.76 2khn h ASP 52 N 0.57 0.76 0.59 0.19 3.58 -1.97 -0.14 116.42 119.99 2khn h ASP 52 Ca 0.15 -0.02 -0.18 0.00 0.42 0.00 0.00 57.03 57.41 2khn h ASP 52 Cb 0.07 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 40.92 2khn h ASP 52 CO -0.02 0.54 -0.78 0.06 -2.88 0.00 0.00 179.24 176.15 2khn h GLN 53 N 0.89 0.14 -0.63 0.28 -0.00 -1.96 -3.07 115.11 110.77 2khn h GLN 53 Ca 0.25 -0.14 -0.06 0.00 -0.00 0.00 0.00 58.65 58.70 2khn h GLN 53 Cb -0.08 0.04 -0.03 0.00 -0.00 0.00 0.00 27.48 27.41 2khn h GLN 53 CO -0.06 0.85 0.16 0.00 -0.00 0.00 0.00 178.83 179.78 2khn h ALA 54 N 1.10 1.09 -0.76 0.06 0.00 -0.68 -2.71 119.26 117.35 2khn h ALA 54 Ca -0.03 -0.23 0.12 0.00 0.00 0.00 0.00 54.91 54.78 2khn h ALA 54 Cb 1.37 -0.25 -0.09 0.00 0.00 0.00 0.00 17.79 18.83 2khn h ALA 54 CO 0.11 0.61 0.35 -0.09 0.00 0.00 0.00 179.25 180.24 2khn h ARG 55 N 0.94 0.53 0.02 0.00 2.43 -0.94 0.22 114.38 117.59 2khn h ARG 55 Ca 0.20 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.34 2khn h ARG 55 Cb 0.33 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 2khn h ARG 55 CO -0.00 0.35 -0.01 -0.97 -1.51 0.00 0.00 179.97 177.83 2khn h ASN 56 N 0.55 -0.02 -0.24 -3.80 -0.73 -1.56 -1.62 115.58 108.15 2khn h ASN 56 Ca 0.40 -0.51 0.04 0.00 1.87 0.00 0.00 56.30 58.10 2khn h ASN 56 Cb 0.53 0.01 -0.04 0.00 0.27 0.00 0.00 38.32 39.09 2khn h ASN 56 CO -0.34 0.51 0.02 0.15 -0.37 0.00 0.00 177.43 177.39 2khn h PHE 57 N -0.56 0.02 -0.40 0.67 3.04 -1.16 0.24 116.94 118.79 2khn h PHE 57 Ca -0.00 0.02 0.02 0.00 3.98 0.00 0.00 57.97 61.98 2khn h PHE 57 Cb 0.53 0.03 -0.03 0.00 2.56 0.00 0.00 35.95 39.05 2khn h PHE 57 CO 0.11 -0.02 0.23 0.74 -2.02 0.00 0.00 178.31 177.35 2khn h PHE 58 N 0.10 0.44 -0.06 0.41 -1.00 -0.62 -2.68 116.94 113.53 2khn h PHE 58 Ca 0.11 0.01 -0.08 0.00 2.81 0.00 0.00 57.97 60.82 2khn h PHE 58 Cb 0.13 -0.14 -0.01 0.00 3.61 0.00 0.00 35.95 39.54 2khn h PHE 58 CO -0.18 0.25 -0.34 0.35 -1.61 0.00 0.00 178.31 176.78 2khn h PHE 59 N 0.47 0.12 0.00 -0.55 3.57 -0.79 -2.24 116.94 117.52 2khn h PHE 59 Ca 0.16 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.63 2khn h PHE 59 Cb 0.01 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.72 2khn h PHE 59 CO -0.07 0.44 0.00 1.04 -2.23 0.00 0.00 178.31 177.49 2khn n GLN 60 N -4.11 0.98 0.04 1.11 1.13 0.03 -2.81 117.38 113.75 2khn n GLN 60 Ca -0.02 0.00 -0.09 0.00 -1.94 0.00 0.00 57.00 54.95 2khn n GLN 60 Cb 0.40 -1.22 -0.13 0.00 0.11 0.00 0.00 30.24 29.40 2khn n GLN 60 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 2khn h SER 61 N 0.00 0.07 0.00 1.08 4.64 -1.33 -3.48 113.55 114.54 2khn h SER 61 Ca 0.00 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 2khn h SER 61 Cb 0.00 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 2khn h SER 61 CO 0.00 1.08 0.00 0.61 -0.87 0.00 0.00 176.83 177.65 2khn n GLY 62 N 1.46 1.34 3.90 -0.77 0.00 -1.12 -5.07 105.19 104.92 2khn n GLY 62 Ca -0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 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 4.38 0.65 0.99 1.43 -1.26 -5.09 118.68 119.78 2khn s LEU 63 Ca 0.00 0.39 -0.16 0.00 -1.03 0.00 0.00 54.13 53.32 2khn s LEU 63 Cb 0.00 -2.48 -0.00 0.00 0.03 0.00 0.00 46.19 43.74 2khn s LEU 63 CO 0.00 0.30 1.17 -2.84 0.23 0.00 0.00 176.35 175.21 2khn s PRO 64 N -1.69 2.70 0.17 1.29 0.02 -1.26 -4.70 135.00 131.52 2khn s PRO 64 Ca 0.24 1.65 -0.15 0.00 0.02 0.00 0.00 61.00 62.76 2khn s PRO 64 Cb -0.12 -1.91 0.10 0.00 0.02 0.00 0.00 34.50 32.58 2khn s PRO 64 CO 0.15 -1.38 1.74 1.96 -0.33 0.00 0.00 177.00 179.14 2khn h GLN 65 N 0.29 0.24 -0.83 5.54 4.20 -1.97 0.11 115.11 122.69 2khn h GLN 65 Ca -0.48 -0.01 0.12 0.00 0.06 0.00 0.00 58.65 58.34 2khn h GLN 65 Cb 1.28 -0.06 -0.06 0.00 0.30 0.00 0.00 27.48 28.94 2khn h GLN 65 CO 0.53 0.16 0.54 -1.35 -0.67 0.00 0.00 178.83 178.04 2khn h PRO 66 N 0.25 0.64 -0.11 1.46 0.11 -1.99 0.29 132.00 132.66 2khn h PRO 66 Ca 0.19 -0.04 -0.21 0.00 0.11 0.00 0.00 66.00 66.05 2khn h PRO 66 Cb 0.21 -0.14 0.01 0.00 0.11 0.00 0.00 31.00 31.18 2khn h PRO 66 CO -0.23 0.42 -0.79 0.28 -0.21 0.00 0.00 178.00 177.48 2khn h VAL 67 N 0.66 1.32 -0.28 3.15 2.07 -1.58 -2.95 116.25 118.64 2khn h VAL 67 Ca 0.40 -2.08 -0.03 0.00 0.82 0.00 0.00 66.70 65.81 2khn h VAL 67 Cb 0.63 2.08 -0.01 0.00 -1.52 0.00 0.00 31.29 32.47 2khn h VAL 67 CO -0.16 0.64 0.07 -0.07 0.02 0.00 0.00 177.57 178.07 2khn h LEU 68 N 0.42 0.42 -1.72 2.57 3.38 0.23 -2.83 115.31 117.79 2khn h LEU 68 Ca -0.05 -0.23 0.10 0.00 0.09 0.00 0.00 57.88 57.79 2khn h LEU 68 Cb 1.40 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 42.01 2khn h LEU 68 CO 0.15 0.54 0.38 0.00 0.09 0.00 0.00 178.44 179.60 2khn h ALA 69 N 0.90 2.10 -0.47 1.53 0.00 -0.47 -0.20 119.26 122.65 2khn h ALA 69 Ca 0.09 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 2khn h ALA 69 Cb 0.28 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2khn h ALA 69 CO 0.00 -0.23 -0.12 1.96 0.00 0.00 0.00 179.25 180.87 2khn h GLN 70 N 0.32 0.86 -0.32 0.00 1.08 -1.32 0.18 115.11 115.90 2khn h GLN 70 Ca 0.26 -0.30 -0.08 0.00 -1.45 0.00 0.00 58.65 57.08 2khn h GLN 70 Cb 0.60 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.96 2khn h GLN 70 CO -0.06 0.93 -0.11 0.82 -0.95 0.00 0.00 178.83 179.46 2khn h ILE 71 N 0.77 1.28 -0.26 2.54 2.04 -0.97 -2.15 117.51 120.76 2khn h ILE 71 Ca 0.13 -1.19 -0.05 0.00 1.00 0.00 0.00 64.86 64.75 2khn h ILE 71 Cb 0.63 1.38 -0.01 0.00 -0.74 0.00 0.00 36.82 38.08 2khn h ILE 71 CO 0.04 0.38 -0.05 -0.25 0.00 0.00 0.00 178.15 178.28 2khn h TRP 72 N 0.42 0.55 0.00 1.37 7.01 -1.19 0.90 115.95 125.00 2khn h TRP 72 Ca 0.08 -0.11 -0.00 0.00 2.11 0.00 0.00 58.89 60.96 2khn h TRP 72 Cb 0.62 -0.14 -0.00 0.00 -2.10 0.00 0.00 29.16 27.54 2khn h TRP 72 CO 0.05 0.69 -0.01 0.00 -2.79 0.00 0.00 178.44 176.39 2khn h ALA 73 N 0.78 1.05 0.00 2.65 0.00 -0.62 -0.55 119.26 122.57 2khn h ALA 73 Ca 0.07 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.75 2khn h ALA 73 Cb 0.51 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 2khn h ALA 73 CO 0.02 0.01 -1.63 1.28 0.00 0.00 0.00 179.25 178.94 2khn n LEU 74 N -3.16 0.75 0.20 0.00 4.77 -0.81 -4.59 117.00 114.15 2khn n LEU 74 Ca -0.02 0.34 -0.08 0.00 -0.03 0.00 0.00 56.01 56.22 2khn n LEU 74 Cb 0.13 0.14 -0.04 0.00 -2.33 0.00 0.00 43.42 41.32 2khn n LEU 74 CO 0.22 0.25 0.43 0.00 -1.33 0.00 0.00 177.39 176.96 2khn h ALA 75 N 1.27 -0.96 -1.44 -1.18 0.00 0.86 -3.31 119.26 114.50 2khn h ALA 75 Ca -0.23 -0.11 -0.60 0.00 0.00 0.00 0.00 54.91 53.97 2khn h ALA 75 Cb 1.76 0.20 -0.11 0.00 0.00 0.00 0.00 17.79 19.64 2khn h ALA 75 CO 0.05 -0.92 1.02 0.16 0.00 0.00 0.00 179.25 179.56 2khn s ASP 76 N -3.12 6.31 0.50 0.00 -4.77 -1.18 -4.77 116.67 109.63 2khn s ASP 76 Ca -0.07 -1.05 0.16 0.00 -3.30 0.00 0.00 52.55 48.29 2khn s ASP 76 Cb 0.01 -2.51 1.21 0.00 -1.09 0.00 0.00 42.92 40.54 2khn s ASP 76 CO 0.22 -1.56 2.11 0.24 0.70 0.00 0.00 175.17 176.88 2khn h MET 77 N 9.71 0.10 0.00 2.11 2.86 -1.82 0.56 114.93 128.45 2khn h MET 77 Ca -0.10 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.53 2khn h MET 77 Cb 1.04 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.68 2khn h MET 77 CO 1.27 0.07 0.00 -1.71 1.06 0.00 0.00 176.91 177.60 2khn n ASN 78 N -4.51 0.35 -3.32 1.22 5.15 -1.26 -4.95 115.26 107.94 2khn n ASN 78 Ca 0.00 0.55 -0.11 0.00 -0.60 0.00 0.00 54.58 54.42 2khn n ASN 78 Cb 0.16 -0.64 0.00 0.00 -0.53 0.00 0.00 39.78 38.77 2khn n ASN 78 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 2khn n ASN 79 N -1.85 -6.68 0.08 1.20 4.05 0.20 -4.92 115.26 107.34 2khn n ASN 79 Ca 0.05 -0.34 0.12 0.00 0.45 0.00 0.00 54.58 54.86 2khn n ASN 79 Cb 0.32 -3.87 0.15 0.00 1.23 0.00 0.00 39.78 37.60 2khn n ASN 79 CO 0.00 0.00 0.00 0.44 -3.05 0.00 0.00 177.26 174.65 2khn h ASP 80 N 0.41 0.00 -1.29 1.20 5.19 -1.93 -3.48 116.42 116.52 2khn h ASP 80 Ca -0.25 -0.14 -0.09 0.00 -0.62 0.00 0.00 57.03 55.93 2khn h ASP 80 Cb 1.16 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.68 2khn h ASP 80 CO 0.31 0.07 -0.13 0.61 -3.12 0.00 0.00 179.24 176.98 2khn n GLY 81 N 1.29 0.39 0.00 2.75 0.00 -1.26 -4.90 105.19 103.46 2khn n GLY 81 Ca 0.03 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.45 2khn n GLY 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2khn n ARG 82 N -1.45 4.77 0.00 1.61 1.74 -1.26 -4.87 116.66 117.20 2khn n ARG 82 Ca -0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 2khn n ARG 82 Cb 0.53 -0.50 0.00 0.00 -1.02 0.00 0.00 32.46 31.47 2khn n ARG 82 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2khn n MET 83 N -0.10 0.00 -4.00 5.56 0.00 -1.26 -4.25 117.12 113.07 2khn n MET 83 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 57.70 57.73 2khn n MET 83 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 33.22 33.23 2khn n MET 83 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 2khn s ASP 84 N -4.00 0.01 0.41 3.17 2.15 -1.26 -4.94 116.67 112.21 2khn s ASP 84 Ca 0.00 -0.20 0.22 0.00 0.43 0.00 0.00 52.55 53.00 2khn s ASP 84 Cb 0.00 0.14 0.79 0.00 -0.30 0.00 0.00 42.92 43.55 2khn s ASP 84 CO 0.00 -0.28 1.77 0.06 -0.17 0.00 0.00 175.17 176.55 2khn h GLN 85 N 2.00 0.00 0.16 4.34 -0.00 -1.95 0.45 115.11 120.11 2khn h GLN 85 Ca -0.22 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.43 2khn h GLN 85 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.66 2khn h GLN 85 CO 0.31 0.28 -0.08 0.28 -0.00 0.00 0.00 178.83 179.63 2khn h VAL 86 N 0.00 0.97 -0.23 1.86 2.07 -2.00 -2.27 116.25 116.65 2khn h VAL 86 Ca -0.00 -0.91 -0.11 0.00 0.82 0.00 0.00 66.70 66.50 2khn h VAL 86 Cb 0.83 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 32.09 2khn h VAL 86 CO 0.04 0.20 -0.30 -0.33 0.02 0.00 0.00 177.57 177.19 2khn h GLU 87 N -0.68 0.47 0.00 1.57 3.07 -1.83 -2.52 114.58 114.67 2khn h GLU 87 Ca -0.02 -0.20 -0.03 0.00 -0.50 0.00 0.00 59.36 58.61 2khn h GLU 87 Cb 0.49 -0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 28.38 2khn h GLU 87 CO 0.04 0.73 -0.14 0.35 -1.40 0.00 0.00 179.01 178.58 2khn h PHE 88 N 0.41 0.00 0.00 4.33 3.57 -0.13 -2.21 116.94 122.91 2khn h PHE 88 Ca 0.05 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 2khn h PHE 88 Cb 0.74 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.48 2khn h PHE 88 CO 0.02 0.14 -0.08 0.66 -2.23 0.00 0.00 178.31 176.82 2khn h SER 89 N 0.00 0.00 0.16 0.41 4.64 -0.93 0.17 113.55 117.99 2khn h SER 89 Ca -0.00 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.17 2khn h SER 89 Cb 0.28 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.34 2khn h SER 89 CO 0.02 0.08 -1.99 0.00 -0.87 0.00 0.00 176.83 174.07 2khn n ILE 90 N -3.92 0.67 0.08 0.95 3.06 -0.98 -4.38 119.36 114.84 2khn n ILE 90 Ca -0.02 -0.65 -0.11 0.00 -2.50 0.00 0.00 62.75 59.47 2khn n ILE 90 Cb 0.18 -0.28 -0.05 0.00 0.54 0.00 0.00 39.64 40.03 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 1.58 0.39 0.00 1.51 0.00 -0.65 -3.19 119.26 118.90 2khn h ALA 91 Ca -0.21 -0.77 -0.01 0.00 0.00 0.00 0.00 54.91 53.92 2khn h ALA 91 Cb 1.50 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.23 2khn h ALA 91 CO 0.02 0.95 -0.05 0.00 0.00 0.00 0.00 179.25 180.17 2khn h MET 92 N 0.11 0.00 0.00 0.00 -0.00 -0.92 0.15 114.93 114.27 2khn h MET 92 Ca -0.06 0.00 -0.12 0.00 -0.00 0.00 0.00 59.70 59.52 2khn h MET 92 Cb 1.64 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 33.22 2khn h MET 92 CO 0.15 0.05 -0.56 -0.22 -0.00 0.00 0.00 176.91 176.33 2khn h LYS 93 N 0.00 0.00 0.00 -0.10 3.64 -1.78 -2.78 116.57 115.55 2khn h LYS 93 Ca -0.00 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.27 2khn h LYS 93 Cb 0.09 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 2khn h LYS 93 CO 0.01 0.56 -0.52 1.25 -2.27 0.00 0.00 179.45 178.47 2khn h LEU 94 N 0.00 0.00 0.19 5.20 5.85 -1.08 -1.86 115.31 123.62 2khn h LEU 94 Ca -0.01 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 2khn h LEU 94 Cb 1.01 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.04 2khn h LEU 94 CO 0.07 0.52 -0.09 0.40 -0.34 0.00 0.00 178.44 179.00 2khn h ILE 95 N 0.00 0.86 -0.50 4.05 1.08 -1.14 0.12 117.51 121.98 2khn h ILE 95 Ca -0.01 -0.21 -0.07 0.00 -0.39 0.00 0.00 64.86 64.19 2khn h ILE 95 Cb 1.25 0.98 -0.02 0.00 -3.07 0.00 0.00 36.82 35.96 2khn h ILE 95 CO 0.07 0.05 0.04 0.11 -0.69 0.00 0.00 178.15 177.73 2khn h LYS 96 N -0.36 0.82 -0.29 2.37 1.79 -1.57 -1.42 116.57 117.91 2khn h LYS 96 Ca -0.03 -0.20 0.00 0.00 -2.18 0.00 0.00 60.65 58.25 2khn h LYS 96 Cb 0.27 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 30.81 2khn h LYS 96 CO 0.04 0.79 0.19 1.25 -1.08 0.00 0.00 179.45 180.64 2khn h LEU 97 N 0.77 0.32 -0.48 2.94 5.85 -1.01 0.10 115.31 123.81 2khn h LEU 97 Ca 0.16 -0.01 -0.17 0.00 0.84 0.00 0.00 57.88 58.70 2khn h LEU 97 Cb 0.40 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 2khn h LEU 97 CO 0.01 0.23 -0.71 0.11 -0.34 0.00 0.00 178.44 177.74 2khn h LYS 98 N 0.38 0.28 -0.05 1.25 1.57 -0.63 -1.15 116.57 118.23 2khn h LYS 98 Ca 0.11 -0.23 -0.08 0.00 -1.87 0.00 0.00 60.65 58.57 2khn h LYS 98 Cb -0.04 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 2khn h LYS 98 CO -0.03 0.88 -0.34 -0.07 -0.57 0.00 0.00 179.45 179.32 2khn h LEU 99 N 0.19 0.09 -0.72 2.94 3.38 -1.03 -2.44 115.31 117.73 2khn h LEU 99 Ca -0.02 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.83 2khn h LEU 99 Cb 1.27 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 2khn h LEU 99 CO 0.11 0.43 -0.41 -0.61 0.09 0.00 0.00 178.44 178.06 2khn h GLN 100 N 0.08 0.00 0.00 1.13 5.75 -0.51 -3.47 115.11 118.09 2khn h GLN 100 Ca 0.01 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.51 2khn h GLN 100 Cb 0.65 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.20 2khn h GLN 100 CO 0.05 0.41 0.00 0.41 -2.65 0.00 0.00 178.83 177.05 2khn n GLY 101 N 0.48 1.73 3.85 2.39 0.00 -0.92 -5.09 105.19 107.62 2khn n GLY 101 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.73 3.36 -0.33 1.61 1.51 -0.48 -5.00 117.35 116.29 2khn s TYR 102 Ca 0.00 0.18 -0.01 0.00 -1.01 0.00 0.00 57.07 56.23 2khn s TYR 102 Cb 0.00 -1.70 0.13 0.00 -0.11 0.00 0.00 41.96 40.28 2khn s TYR 102 CO 0.00 0.56 0.20 -1.14 -1.11 0.00 0.00 175.55 174.06 2khn s GLN 103 N -2.38 0.42 0.04 -0.62 2.00 -1.26 -4.06 119.66 113.80 2khn s GLN 103 Ca 0.31 -0.97 0.01 0.00 -2.00 0.00 0.00 55.36 52.71 2khn s GLN 103 Cb -0.13 -1.18 -0.04 0.00 0.80 0.00 0.00 33.01 32.47 2khn s GLN 103 CO 0.24 -1.14 0.10 -0.51 -0.50 0.00 0.00 175.29 173.48 2khn s LEU 104 N 1.50 3.91 0.00 3.68 2.01 -1.26 -5.13 118.68 123.39 2khn s LEU 104 Ca 0.15 0.09 0.00 0.00 0.01 0.00 0.00 54.13 54.37 2khn s LEU 104 Cb -0.20 -2.45 0.00 0.00 0.01 0.00 0.00 46.19 43.55 2khn s LEU 104 CO -0.13 0.21 0.00 -0.81 1.01 0.00 0.00 176.35 176.63 2khn n PRO 105 N 0.74 0.75 0.00 1.29 -0.04 -1.26 -4.88 135.00 131.60 2khn n PRO 105 Ca -0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 2khn n PRO 105 Cb 0.52 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 34.00 2khn n PRO 105 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2khn n SER 106 N -0.66 0.00 -4.29 3.54 3.41 -1.26 -4.43 113.62 109.93 2khn n SER 106 Ca 0.00 -1.15 -0.45 0.00 -0.26 0.00 0.00 58.87 57.01 2khn n SER 106 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 2khn n SER 106 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2khn s ALA 107 N -2.00 3.79 0.37 7.33 0.00 -1.26 -4.98 121.76 125.01 2khn s ALA 107 Ca 0.01 -2.93 -0.26 0.00 0.00 0.00 0.00 51.96 48.78 2khn s ALA 107 Cb 0.01 -3.26 -0.09 0.00 0.00 0.00 0.00 23.12 19.78 2khn s ALA 107 CO 0.01 -2.12 1.11 -0.51 0.00 0.00 0.00 175.76 174.25 2khn s LEU 108 N 0.81 4.27 0.57 0.00 1.43 -1.26 -5.03 118.68 119.47 2khn s LEU 108 Ca 0.11 2.23 -0.18 0.00 -1.03 0.00 0.00 54.13 55.26 2khn s LEU 108 Cb -0.20 -3.97 -0.05 0.00 0.03 0.00 0.00 46.19 42.00 2khn s LEU 108 CO -0.03 -0.48 1.09 -2.84 0.23 0.00 0.00 176.35 174.32 2khn s PRO 109 N -2.14 3.32 0.52 1.29 0.02 -1.26 -4.94 135.00 131.81 2khn s PRO 109 Ca 0.54 1.41 0.30 0.00 0.02 0.00 0.00 61.00 63.27 2khn s PRO 109 Cb -0.28 -2.02 1.39 0.00 0.02 0.00 0.00 34.50 33.61 2khn s PRO 109 CO 0.36 -0.84 2.01 -1.35 -0.33 0.00 0.00 177.00 176.85 2khn h PRO 110 N 0.83 0.00 0.00 5.54 0.11 -1.95 -2.79 132.00 133.74 2khn h PRO 110 Ca -0.48 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.48 2khn h PRO 110 Cb 1.24 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 2khn h PRO 110 CO 0.57 0.10 -0.67 0.28 -0.21 0.00 0.00 178.00 178.07 2khn h VAL 111 N 0.00 1.47 0.21 3.15 2.07 -1.91 0.14 116.25 121.37 2khn h VAL 111 Ca -0.00 -2.32 -0.30 0.00 0.82 0.00 0.00 66.70 64.90 2khn h VAL 111 Cb 0.47 2.25 0.03 0.00 -1.52 0.00 0.00 31.29 32.51 2khn h VAL 111 CO 0.01 0.66 -1.40 0.24 0.02 0.00 0.00 177.57 177.11 2khn h MET 112 N 0.00 0.44 0.00 1.57 2.86 -1.68 -3.33 114.93 114.79 2khn h MET 112 Ca -0.01 -0.75 -0.15 0.00 -2.06 0.00 0.00 59.70 56.74 2khn h MET 112 Cb 1.20 0.28 -0.02 0.00 0.06 0.00 0.00 31.60 33.12 2khn h MET 112 CO 0.09 1.36 -0.70 1.57 1.06 0.00 0.00 176.91 180.29 2khn h LYS 113 N -0.01 0.00 0.00 1.72 2.10 -1.57 -3.48 116.57 115.33 2khn h LYS 113 Ca -0.26 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.39 2khn h LYS 113 Cb 2.01 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.34 2khn h LYS 113 CO 0.21 0.70 0.00 1.04 -2.00 0.00 0.00 179.45 179.40 2khn n GLN 114 N -3.29 0.00 -1.23 0.07 6.02 0.47 -5.00 117.38 114.42 2khn n GLN 114 Ca 0.01 0.00 0.14 0.00 -0.01 0.00 0.00 57.00 57.15 2khn n GLN 114 Cb 0.81 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 32.02 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 -1.13 -2.42 -0.33 -1.09 10.64 -1.26 -4.91 117.38 116.88 2khn n GLN 115 Ca 0.00 1.79 -0.09 0.00 -1.83 0.00 0.00 57.00 56.88 2khn n GLN 115 Cb 0.00 -3.00 0.07 0.00 -0.86 0.00 0.00 30.24 26.45 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 -3.76 -1.49 -4.63 2.61 -0.02 -1.26 -5.06 135.00 121.40 2khn n PRO 116 Ca -0.03 -0.52 -0.24 0.00 -2.02 0.00 0.00 63.50 60.70 2khn n PRO 116 Cb 0.64 -0.46 -0.16 0.00 -0.02 0.00 0.00 33.50 33.50 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 -1.60 1.16 -0.83 -1.45 -7.23 -1.26 -4.99 120.40 104.19 2khn s VAL 117 Ca 0.21 -0.53 0.22 0.00 -1.81 0.00 0.00 61.98 60.06 2khn s VAL 117 Cb -0.02 -1.03 -0.20 0.00 0.56 0.00 0.00 36.38 35.69 2khn s VAL 117 CO 0.16 0.35 0.92 0.00 -0.31 0.00 0.00 175.10 176.21 2khn n ALA 118 N 3.47 4.22 -3.63 1.32 0.00 -1.26 -4.88 120.51 119.75 2khn n ALA 118 Ca -0.20 -0.54 -0.30 0.00 0.00 0.00 0.00 53.44 52.40 2khn n ALA 118 Cb 0.53 -0.83 -0.17 0.00 0.00 0.00 0.00 19.45 18.98 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 -3.09 1.69 -0.41 0.00 1.01 -1.26 -5.09 121.20 114.05 2khn s ILE 119 Ca 0.06 -0.76 -0.29 0.00 0.00 0.00 0.00 60.65 59.66 2khn s ILE 119 Cb 0.16 -1.52 0.01 0.00 0.01 0.00 0.00 42.46 41.11 2khn s ILE 119 CO 0.85 0.48 1.45 -0.44 0.00 0.00 0.00 174.94 177.28 2khn s SER 120 N 0.89 6.28 0.00 3.58 0.01 -1.26 -5.24 113.70 117.97 2khn s SER 120 Ca -0.08 0.85 0.00 0.00 1.31 0.00 0.00 55.95 58.04 2khn s SER 120 Cb -0.15 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.54 2khn s SER 120 CO -0.01 -1.47 0.00 -1.20 0.41 0.00 0.00 173.24 170.97