#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 4.29 3.08 3.03 0.00 -1.26 -4.97 105.19 109.36 2khn n GLY 2 Ca 0.00 -0.66 -0.20 0.00 0.00 0.00 0.00 46.02 45.17 2khn n GLY 2 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2khn n HIS 3 N 0.00 -2.12 -2.74 1.61 -0.00 -1.26 -4.96 115.22 105.75 2khn n HIS 3 Ca 0.00 0.69 -0.43 0.00 -0.00 0.00 0.00 57.72 57.98 2khn n HIS 3 Cb 0.00 -4.23 -0.03 0.00 -0.00 0.00 0.00 29.99 25.73 2khn n HIS 3 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2khn s HIS 4 N -3.19 2.86 0.08 4.41 5.65 -1.26 -5.02 115.29 118.82 2khn s HIS 4 Ca 0.40 0.46 0.07 0.00 0.25 0.00 0.00 55.06 56.24 2khn s HIS 4 Cb -0.18 -4.16 -0.03 0.00 -1.18 0.00 0.00 32.58 27.03 2khn s HIS 4 CO 0.49 -1.20 -0.19 -3.38 -0.65 0.00 0.00 174.74 169.81 2khn s HIS 5 N 4.06 1.60 -0.18 3.88 0.00 -1.26 -5.13 115.29 118.26 2khn s HIS 5 Ca 0.40 -0.41 -0.04 0.00 -3.00 0.00 0.00 55.06 52.02 2khn s HIS 5 Cb -0.09 -0.90 0.09 0.00 -4.00 0.00 0.00 32.58 27.67 2khn s HIS 5 CO 0.28 0.13 0.24 -3.38 -1.00 0.00 0.00 174.74 171.01 2khn s HIS 6 N -1.07 -0.36 -0.19 0.38 0.00 -1.26 -5.13 115.29 107.66 2khn s HIS 6 Ca 0.04 0.47 0.00 0.00 -3.00 0.00 0.00 55.06 52.57 2khn s HIS 6 Cb -0.09 -0.25 0.05 0.00 -4.00 0.00 0.00 32.58 28.29 2khn s HIS 6 CO 0.03 -0.54 -0.06 -1.01 -1.00 0.00 0.00 174.74 172.16 2khn s HIS 7 N 2.37 2.03 -0.28 0.38 4.02 -1.26 -5.09 115.29 117.45 2khn s HIS 7 Ca 0.06 -1.37 -0.26 0.00 1.02 0.00 0.00 55.06 54.51 2khn s HIS 7 Cb -0.15 -1.45 0.17 0.00 -1.02 0.00 0.00 32.58 30.13 2khn s HIS 7 CO -0.11 -0.69 1.31 -3.38 1.02 0.00 0.00 174.74 172.89 2khn s HIS 8 N 1.52 -0.16 -0.38 1.40 -0.00 -1.26 -5.13 115.29 111.29 2khn s HIS 8 Ca -0.01 0.37 0.01 0.00 -0.00 0.00 0.00 55.06 55.42 2khn s HIS 8 Cb -0.16 0.46 0.13 0.00 -0.00 0.00 0.00 32.58 33.01 2khn s HIS 8 CO -0.08 -0.09 0.21 -1.12 -0.00 0.00 0.00 174.74 173.66 2khn s SER 9 N -0.20 3.32 -0.43 7.38 0.01 -1.26 -5.08 113.70 117.44 2khn s SER 9 Ca 0.06 -2.26 -0.09 0.00 1.31 0.00 0.00 55.95 54.97 2khn s SER 9 Cb -0.04 -0.66 0.09 0.00 0.21 0.00 0.00 66.02 65.62 2khn s SER 9 CO -0.11 -0.31 0.27 -2.28 0.41 0.00 0.00 173.24 171.22 2khn s HIS 10 N 0.90 3.38 -0.66 2.43 2.46 -1.26 -4.98 115.29 117.55 2khn s HIS 10 Ca 0.17 -1.68 0.05 0.00 0.47 0.00 0.00 55.06 54.07 2khn s HIS 10 Cb -0.23 -3.09 0.18 0.00 -0.13 0.00 0.00 32.58 29.32 2khn s HIS 10 CO -0.03 -0.89 0.52 -1.33 -2.47 0.00 0.00 174.74 170.54 2khn n MET 11 N 4.89 1.76 -3.45 2.88 2.81 -1.26 -5.01 117.12 119.74 2khn n MET 11 Ca -0.09 -4.37 -0.22 0.00 -1.81 0.00 0.00 57.70 51.22 2khn n MET 11 Cb 0.42 -2.20 -0.11 0.00 -0.71 0.00 0.00 33.22 30.62 2khn n MET 11 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2khn s ALA 12 N -1.48 -0.05 -0.21 3.04 0.00 -1.26 -5.10 121.76 116.70 2khn s ALA 12 Ca 0.28 -0.66 -0.04 0.00 0.00 0.00 0.00 51.96 51.55 2khn s ALA 12 Cb 0.00 -1.67 0.07 0.00 0.00 0.00 0.00 23.12 21.52 2khn s ALA 12 CO -0.15 -1.72 0.08 -1.14 0.00 0.00 0.00 175.76 172.83 2khn s GLN 13 N 2.19 0.34 -0.10 0.00 2.00 -1.26 -5.13 119.66 117.71 2khn s GLN 13 Ca 0.10 -0.35 -0.02 0.00 -2.00 0.00 0.00 55.36 53.08 2khn s GLN 13 Cb -0.15 -1.84 -0.03 0.00 0.80 0.00 0.00 33.01 31.79 2khn s GLN 13 CO -0.32 -0.74 0.00 -0.59 -0.50 0.00 0.00 175.29 173.14 2khn s PHE 14 N 1.99 3.15 0.37 1.67 -0.71 -1.26 -5.09 117.98 118.11 2khn s PHE 14 Ca 0.03 0.13 -0.27 0.00 -1.04 0.00 0.00 56.93 55.78 2khn s PHE 14 Cb -0.16 -1.83 -0.09 0.00 -1.21 0.00 0.00 43.02 39.72 2khn s PHE 14 CO -0.14 0.39 1.31 -1.25 -1.34 0.00 0.00 175.22 174.18 2khn s PRO 15 N -0.65 4.14 0.00 1.99 0.04 -1.26 -5.00 135.00 134.26 2khn s PRO 15 Ca 0.10 2.19 -0.25 0.00 0.04 0.00 0.00 61.00 63.09 2khn s PRO 15 Cb -0.12 -2.89 -0.05 0.00 0.04 0.00 0.00 34.50 31.48 2khn s PRO 15 CO 0.02 -0.36 0.75 0.95 0.04 0.00 0.00 177.00 178.40 2khn s THR 16 N -1.21 4.85 0.00 1.26 -4.23 -1.26 -5.07 115.64 109.98 2khn s THR 16 Ca 0.53 1.58 0.00 0.00 -1.18 0.00 0.00 61.69 62.62 2khn s THR 16 Cb -0.39 -4.09 0.00 0.00 1.34 0.00 0.00 72.50 69.36 2khn s THR 16 CO 0.51 0.32 0.00 -0.81 -0.54 0.00 0.00 174.62 174.10 2khn n PRO 17 N 3.17 0.77 -3.93 3.99 -0.05 -1.26 -5.15 135.00 132.54 2khn n PRO 17 Ca -0.02 0.00 -0.17 0.00 -0.05 0.00 0.00 63.50 63.26 2khn n PRO 17 Cb 0.51 0.00 -0.07 0.00 -0.05 0.00 0.00 33.50 33.89 2khn n PRO 17 CO 0.00 0.00 0.00 1.97 -0.05 0.00 0.00 175.50 177.42 2khn n PHE 18 N -1.24 -0.65 0.00 0.54 -1.74 -1.26 -5.11 117.46 108.00 2khn n PHE 18 Ca 0.00 -2.41 0.00 0.00 -0.56 0.00 0.00 57.45 54.48 2khn n PHE 18 Cb 0.00 0.24 0.00 0.00 1.52 0.00 0.00 39.48 41.24 2khn n PHE 18 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 2khn n GLY 19 N -0.54 1.24 1.74 4.97 0.00 -1.26 -5.11 105.19 106.24 2khn n GLY 19 Ca 0.06 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 0.48 -0.21 0.00 -0.02 0.00 -1.26 -4.65 105.19 99.52 2khn n GLY 20 Ca 0.00 0.00 0.07 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 -3.17 0.00 0.00 1.61 7.64 -1.26 -1.90 113.62 116.54 2khn n SER 21 Ca 0.00 -0.29 0.00 0.00 1.01 0.00 0.00 58.87 59.59 2khn n SER 21 Cb 0.00 -0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.13 2khn n SER 21 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2khn n LEU 22 N -1.07 0.00 -0.88 -3.43 -0.00 -1.26 -4.72 117.00 105.64 2khn n LEU 22 Ca 0.09 -0.12 0.06 0.00 -0.00 0.00 0.00 56.01 56.04 2khn n LEU 22 Cb 0.06 0.00 0.24 0.00 -0.00 0.00 0.00 43.42 43.72 2khn n LEU 22 CO 0.08 0.00 0.70 0.47 -0.00 0.00 0.00 177.39 178.64 2khn n ASP 23 N -0.74 3.47 0.10 1.45 8.00 -0.83 -4.33 116.55 123.67 2khn n ASP 23 Ca 0.00 -3.18 -0.05 0.00 0.71 0.00 0.00 54.79 52.27 2khn n ASP 23 Cb 0.00 -0.56 -0.02 0.00 -0.02 0.00 0.00 41.12 40.52 2khn n ASP 23 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 2khn h THR 24 N 1.47 0.00 0.00 -3.53 1.35 -1.66 -3.40 112.91 107.14 2khn h THR 24 Ca 0.05 -0.65 -0.15 0.00 -0.55 0.00 0.00 66.41 65.11 2khn h THR 24 Cb 1.46 0.00 -0.03 0.00 -1.73 0.00 0.00 68.15 67.85 2khn h THR 24 CO 0.24 0.00 -2.14 0.79 -0.25 0.00 0.00 175.52 174.16 2khn n TRP 25 N -4.70 0.00 -1.94 4.73 5.03 -1.26 -4.94 117.44 114.36 2khn n TRP 25 Ca -0.04 0.00 -0.43 0.00 3.03 0.00 0.00 57.50 60.06 2khn n TRP 25 Cb 0.13 -0.69 -0.03 0.00 -1.03 0.00 0.00 31.31 29.69 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 -3.07 3.32 -0.94 6.99 0.00 -1.26 -4.17 121.76 122.63 2khn s ALA 26 Ca -0.09 0.76 -0.17 0.00 0.00 0.00 0.00 51.96 52.47 2khn s ALA 26 Cb 0.10 -3.86 0.16 0.00 0.00 0.00 0.00 23.12 19.53 2khn s ALA 26 CO 0.86 -1.90 1.06 0.42 0.00 0.00 0.00 175.76 176.20 2khn s ILE 27 N 5.30 5.04 0.30 0.00 1.01 -1.26 -4.84 121.20 126.75 2khn s ILE 27 Ca 0.79 -1.98 -0.05 0.00 0.00 0.00 0.00 60.65 59.41 2khn s ILE 27 Cb -0.31 -4.70 0.07 0.00 0.01 0.00 0.00 42.46 37.53 2khn s ILE 27 CO 0.32 -1.38 0.40 0.41 0.00 0.00 0.00 174.94 174.69 2khn n THR 28 N 4.91 0.00 -0.21 2.92 -1.04 -1.26 -4.77 114.28 114.83 2khn n THR 28 Ca 0.22 -0.29 -0.09 0.00 -2.04 0.00 0.00 64.05 61.86 2khn n THR 28 Cb 0.48 -1.83 0.02 0.00 -1.82 0.00 0.00 70.33 67.19 2khn n THR 28 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 2khn h VAL 29 N -1.26 1.26 -0.23 12.58 2.07 -1.98 0.21 116.25 128.90 2khn h VAL 29 Ca -0.13 -1.01 -0.04 0.00 0.82 0.00 0.00 66.70 66.34 2khn h VAL 29 Cb 0.36 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 2khn h VAL 29 CO 0.09 0.37 -0.02 -0.33 0.02 0.00 0.00 177.57 177.71 2khn h GLU 30 N 0.90 0.35 -0.19 1.57 5.08 -1.98 0.26 114.58 120.57 2khn h GLU 30 Ca 0.18 -0.06 -0.17 0.00 -1.00 0.00 0.00 59.36 58.31 2khn h GLU 30 Cb 0.44 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 2khn h GLU 30 CO 0.01 0.39 -0.57 0.93 -1.00 0.00 0.00 179.01 178.77 2khn h GLU 31 N 0.34 0.61 -0.11 2.33 4.39 -1.73 0.15 114.58 120.56 2khn h GLU 31 Ca 0.08 -0.40 -0.01 0.00 0.34 0.00 0.00 59.36 59.38 2khn h GLU 31 Cb 0.26 0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 28.95 2khn h GLU 31 CO 0.01 1.01 0.04 -0.09 -1.16 0.00 0.00 179.01 178.82 2khn h ARG 32 N 0.46 0.16 -0.71 2.33 2.43 -0.09 -0.88 114.38 118.08 2khn h ARG 32 Ca 0.00 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.15 2khn h ARG 32 Cb 1.13 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.62 2khn h ARG 32 CO 0.11 0.27 0.47 0.00 -1.51 0.00 0.00 179.97 179.31 2khn h ALA 33 N 0.88 1.49 -0.14 2.80 0.00 -0.43 -2.74 119.26 121.12 2khn h ALA 33 Ca 0.04 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2khn h ALA 33 Cb 0.17 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2khn h ALA 33 CO -0.00 0.47 0.06 -0.22 0.00 0.00 0.00 179.25 179.56 2khn h LYS 34 N 0.96 0.21 -0.19 0.00 3.64 -0.29 -1.95 116.57 118.95 2khn h LYS 34 Ca 0.26 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.55 2khn h LYS 34 Cb -0.11 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 2khn h LYS 34 CO -0.06 0.29 -0.12 1.12 -2.27 0.00 0.00 179.45 178.42 2khn h HIS 35 N 0.08 0.31 0.01 1.91 2.07 -0.97 -2.05 115.15 116.51 2khn h HIS 35 Ca 0.05 -0.04 -0.00 0.00 -2.85 0.00 0.00 60.37 57.53 2khn h HIS 35 Cb 0.16 -0.09 0.00 0.00 2.57 0.00 0.00 27.41 30.05 2khn h HIS 35 CO -0.02 0.42 -0.00 0.22 -3.07 0.00 0.00 177.93 175.48 2khn h ASP 36 N 0.28 -0.01 -0.81 3.10 3.58 -1.27 0.40 116.42 121.70 2khn h ASP 36 Ca 0.06 -0.27 0.02 0.00 0.42 0.00 0.00 57.03 57.26 2khn h ASP 36 Cb 0.39 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.40 2khn h ASP 36 CO 0.02 0.27 0.53 1.56 -2.88 0.00 0.00 179.24 178.74 2khn h GLN 37 N -0.29 1.02 -0.30 0.28 4.20 -1.04 0.96 115.11 119.95 2khn h GLN 37 Ca -0.00 -0.06 -0.18 0.00 0.06 0.00 0.00 58.65 58.46 2khn h GLN 37 Cb 0.28 -0.23 -0.00 0.00 0.30 0.00 0.00 27.48 27.83 2khn h GLN 37 CO 0.00 0.68 -0.53 1.96 -0.67 0.00 0.00 178.83 180.27 2khn h GLN 38 N 1.06 0.89 -0.54 1.46 7.50 -1.32 -2.34 115.11 121.82 2khn h GLN 38 Ca 0.31 -0.55 0.07 0.00 0.50 0.00 0.00 58.65 58.97 2khn h GLN 38 Cb -0.06 0.06 -0.06 0.00 0.05 0.00 0.00 27.48 27.47 2khn h GLN 38 CO -0.09 1.19 0.22 0.35 -1.50 0.00 0.00 178.83 179.00 2khn h PHE 39 N 0.69 0.39 -0.70 2.96 3.57 0.40 -0.52 116.94 123.73 2khn h PHE 39 Ca 0.02 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.56 2khn h PHE 39 Cb 1.13 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 39.74 2khn h PHE 39 CO 0.07 0.14 0.46 1.25 -2.23 0.00 0.00 178.31 178.00 2khn h HIS 40 N 0.42 0.87 0.00 0.41 2.76 -0.74 -2.73 115.15 116.14 2khn h HIS 40 Ca 0.26 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.45 2khn h HIS 40 Cb 0.26 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 28.92 2khn h HIS 40 CO -0.14 0.54 0.00 0.77 -1.30 0.00 0.00 177.93 177.80 2khn h SER 41 N 0.94 0.00 0.00 3.26 0.02 -0.77 -3.20 113.55 113.80 2khn h SER 41 Ca 0.26 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 2khn h SER 41 Cb -0.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.45 2khn h SER 41 CO -0.06 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 175.81 2khn n LEU 42 N -2.96 0.00 -3.10 5.07 4.77 -0.29 -4.91 117.00 115.59 2khn n LEU 42 Ca 0.03 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.95 2khn n LEU 42 Cb 0.41 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.52 2khn n LEU 42 CO 0.30 0.00 0.22 0.29 -1.33 0.00 0.00 177.39 176.87 2khn n LYS 43 N -0.91 -1.64 -2.10 3.23 5.02 -1.21 -4.94 118.16 115.61 2khn n LYS 43 Ca 0.20 1.24 -0.37 0.00 -2.02 0.00 0.00 58.31 57.36 2khn n LYS 43 Cb 0.09 -5.72 0.01 0.00 -0.02 0.00 0.00 35.03 29.39 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 -3.52 3.45 -0.83 1.97 0.04 -1.26 -4.91 135.00 129.94 2khn s PRO 44 Ca 0.17 1.89 -0.25 0.00 0.04 0.00 0.00 61.00 62.85 2khn s PRO 44 Cb -0.02 -2.27 0.02 0.00 0.04 0.00 0.00 34.50 32.27 2khn s PRO 44 CO 0.73 -0.84 1.54 0.42 0.04 0.00 0.00 177.00 178.89 2khn s ILE 45 N -1.50 3.68 0.00 0.56 1.01 0.15 -4.56 121.20 120.54 2khn s ILE 45 Ca 0.68 -0.11 0.00 0.00 0.00 0.00 0.00 60.65 61.22 2khn s ILE 45 Cb -0.32 -4.66 0.00 0.00 0.01 0.00 0.00 42.46 37.50 2khn s ILE 45 CO 0.37 -1.58 0.00 -1.20 0.00 0.00 0.00 174.94 172.53 2khn n SER 46 N 10.51 0.00 -0.35 3.58 7.64 -1.26 -1.93 113.62 131.81 2khn n SER 46 Ca 0.21 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.09 2khn n SER 46 Cb 0.50 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 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 0.00 0.44 3.56 0.23 0.00 -1.26 -5.13 105.19 103.03 2khn n GLY 47 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 0.57 0.38 1.61 -0.12 -0.81 -5.00 117.98 114.61 2khn s PHE 48 Ca 0.00 -0.92 0.01 0.00 -0.05 0.00 0.00 56.93 55.98 2khn s PHE 48 Cb 0.00 0.13 -0.01 0.00 -0.63 0.00 0.00 43.02 42.52 2khn s PHE 48 CO 0.00 -1.06 0.05 0.44 -0.05 0.00 0.00 175.22 174.60 2khn n ILE 49 N -0.44 0.00 -4.01 -4.49 -0.00 -1.26 0.34 119.36 109.50 2khn n ILE 49 Ca -0.01 -1.95 -0.06 0.00 -0.00 0.00 0.00 62.75 60.73 2khn n ILE 49 Cb 0.62 0.53 -0.02 0.00 -0.00 0.00 0.00 39.64 40.76 2khn n ILE 49 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.55 176.96 2khn n THR 50 N -0.91 0.00 -0.30 7.28 -1.04 -1.25 -4.73 114.28 113.33 2khn n THR 50 Ca -0.12 -0.76 0.05 0.00 -2.04 0.00 0.00 64.05 61.18 2khn n THR 50 Cb 0.51 0.40 0.19 0.00 -1.82 0.00 0.00 70.33 69.62 2khn n THR 50 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 2khn h GLY 51 N 0.68 1.37 1.00 3.41 0.00 -1.67 -0.92 103.07 106.94 2khn h GLY 51 Ca -0.08 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 46.92 2khn h GLY 51 CO 0.12 0.09 0.38 -0.55 0.00 0.00 0.00 176.54 176.58 2khn h ASP 52 N 0.78 0.86 -0.36 0.19 3.32 -1.95 0.83 116.42 120.10 2khn h ASP 52 Ca 0.43 -0.09 -0.09 0.00 0.02 0.00 0.00 57.03 57.30 2khn h ASP 52 Cb 0.46 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 2khn h ASP 52 CO -0.28 0.71 -0.07 1.56 -1.72 0.00 0.00 179.24 179.44 2khn h GLN 53 N 0.95 0.78 -0.47 3.56 1.08 -1.70 -2.23 115.11 117.08 2khn h GLN 53 Ca 0.24 -0.24 -0.03 0.00 -1.45 0.00 0.00 58.65 57.18 2khn h GLN 53 Cb 0.03 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.37 2khn h GLN 53 CO -0.04 0.84 0.19 0.00 -0.95 0.00 0.00 178.83 178.86 2khn h ALA 54 N 1.20 0.61 -0.34 3.87 0.00 -0.70 -2.21 119.26 121.70 2khn h ALA 54 Ca 0.13 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 54.96 2khn h ALA 54 Cb 0.54 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 18.07 2khn h ALA 54 CO 0.03 0.22 -0.12 0.00 0.00 0.00 0.00 179.25 179.39 2khn h ARG 55 N 0.62 -0.04 -0.37 0.00 3.08 -0.33 -0.75 114.38 116.59 2khn h ARG 55 Ca 0.16 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.17 2khn h ARG 55 Cb 0.20 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 2khn h ARG 55 CO -0.01 -0.03 0.09 -0.97 -1.07 0.00 0.00 179.97 177.98 2khn h ASN 56 N -0.05 0.56 -0.19 7.04 -0.73 -1.31 -1.18 115.58 119.73 2khn h ASN 56 Ca 0.17 -0.23 0.03 0.00 1.87 0.00 0.00 56.30 58.14 2khn h ASN 56 Cb 0.30 -0.15 -0.03 0.00 0.27 0.00 0.00 38.32 38.71 2khn h ASN 56 CO -0.38 0.65 -0.01 0.15 -0.37 0.00 0.00 177.43 177.47 2khn h PHE 57 N 0.44 -0.02 -0.42 0.67 3.57 -0.98 0.22 116.94 120.42 2khn h PHE 57 Ca 0.12 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.58 2khn h PHE 57 Cb 0.31 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 2khn h PHE 57 CO 0.02 -0.04 0.07 0.74 -2.23 0.00 0.00 178.31 176.87 2khn h PHE 58 N 0.05 0.74 -0.54 0.41 0.04 -1.06 -3.05 116.94 113.53 2khn h PHE 58 Ca 0.09 -0.10 -0.11 0.00 2.80 0.00 0.00 57.97 60.65 2khn h PHE 58 Cb 0.11 -0.20 -0.02 0.00 2.20 0.00 0.00 35.95 38.04 2khn h PHE 58 CO -0.18 0.71 -0.10 0.35 -0.60 0.00 0.00 178.31 178.50 2khn h PHE 59 N 0.55 1.12 -0.01 -0.55 3.57 -0.92 -2.53 116.94 118.17 2khn h PHE 59 Ca 0.13 -0.22 0.00 0.00 3.53 0.00 0.00 57.97 61.40 2khn h PHE 59 Cb 0.37 -0.28 -0.00 0.00 2.79 0.00 0.00 35.95 38.84 2khn h PHE 59 CO 0.03 1.03 0.01 0.37 -2.23 0.00 0.00 178.31 177.52 2khn h GLN 60 N 0.90 0.00 -0.00 1.11 -0.00 -0.47 0.24 115.11 116.88 2khn h GLN 60 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.79 2khn h GLN 60 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.14 2khn h GLN 60 CO 0.05 0.00 -0.00 0.43 0.00 0.00 0.00 178.83 179.31 2khn n SER 61 N -3.50 0.00 -0.33 -0.69 7.64 -0.95 -4.90 113.62 110.89 2khn n SER 61 Ca -0.03 0.27 0.00 0.00 1.01 0.00 0.00 58.87 60.12 2khn n SER 61 Cb 0.09 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 62.87 2khn n SER 61 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2khn n GLY 62 N 1.42 0.82 3.36 0.23 0.00 0.07 -5.06 105.19 106.03 2khn n GLY 62 Ca 0.10 -0.31 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.66 2.24 0.83 0.99 1.43 -1.24 -5.05 118.68 117.21 2khn s LEU 63 Ca 0.00 -0.54 -0.11 0.00 -1.03 0.00 0.00 54.13 52.45 2khn s LEU 63 Cb 0.00 -1.34 0.09 0.00 0.03 0.00 0.00 46.19 44.97 2khn s LEU 63 CO 0.00 0.27 1.09 -2.16 0.23 0.00 0.00 176.35 175.78 2khn s PRO 64 N -1.19 1.79 0.12 1.29 0.04 -1.26 -4.61 135.00 131.19 2khn s PRO 64 Ca 0.12 0.92 -0.27 0.00 0.04 0.00 0.00 61.00 61.81 2khn s PRO 64 Cb -0.10 -1.86 -0.05 0.00 0.04 0.00 0.00 34.50 32.52 2khn s PRO 64 CO 0.02 -1.90 1.62 0.37 0.04 0.00 0.00 177.00 177.15 2khn h GLN 65 N -1.30 -0.45 -0.13 4.56 4.15 -2.00 -1.30 115.11 118.64 2khn h GLN 65 Ca -0.47 0.03 -0.01 0.00 0.77 0.00 0.00 58.65 58.97 2khn h GLN 65 Cb 1.26 0.10 -0.01 0.00 0.21 0.00 0.00 27.48 29.04 2khn h GLN 65 CO 0.54 -0.30 0.04 -1.35 -1.93 0.00 0.00 178.83 175.83 2khn h PRO 66 N -0.46 0.18 -0.16 -2.39 0.11 -2.00 -1.69 132.00 125.59 2khn h PRO 66 Ca 0.06 -0.02 -0.16 0.00 0.11 0.00 0.00 66.00 65.99 2khn h PRO 66 Cb 0.55 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.62 2khn h PRO 66 CO -0.26 0.16 -0.59 0.28 -0.21 0.00 0.00 178.00 177.38 2khn h VAL 67 N 0.18 1.33 -0.17 3.15 2.07 -1.73 -2.02 116.25 119.05 2khn h VAL 67 Ca 0.05 -1.87 0.00 0.00 0.82 0.00 0.00 66.70 65.69 2khn h VAL 67 Cb 0.06 1.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 2khn h VAL 67 CO -0.00 0.58 0.11 -0.07 0.02 0.00 0.00 177.57 178.21 2khn h LEU 68 N 0.38 0.20 -1.22 2.57 3.38 -0.36 -2.20 115.31 118.07 2khn h LEU 68 Ca -0.00 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 57.99 2khn h LEU 68 Cb 1.14 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.79 2khn h LEU 68 CO 0.11 0.16 0.54 0.00 0.09 0.00 0.00 178.44 179.34 2khn h ALA 69 N 1.05 1.50 -0.51 1.53 0.00 -1.33 -0.95 119.26 120.56 2khn h ALA 69 Ca 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2khn h ALA 69 Cb -0.01 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 2khn h ALA 69 CO -0.01 0.41 0.32 0.37 0.00 0.00 0.00 179.25 180.35 2khn h GLN 70 N 1.01 0.67 -0.24 0.00 -0.00 -0.86 0.19 115.11 115.89 2khn h GLN 70 Ca 0.33 -0.05 -0.04 0.00 -0.00 0.00 0.00 58.65 58.89 2khn h GLN 70 Cb 0.04 -0.15 -0.01 0.00 0.00 0.00 0.00 27.48 27.37 2khn h GLN 70 CO -0.10 0.46 -0.01 0.82 0.00 0.00 0.00 178.83 180.01 2khn h ILE 71 N 0.68 1.26 -0.46 2.39 2.04 -0.81 -2.99 117.51 119.63 2khn h ILE 71 Ca 0.18 -0.91 -0.01 0.00 1.00 0.00 0.00 64.86 65.12 2khn h ILE 71 Cb -0.05 1.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 2khn h ILE 71 CO -0.04 0.28 0.23 -0.25 0.00 0.00 0.00 178.15 178.38 2khn h TRP 72 N 0.19 0.65 -0.13 1.37 7.01 -0.94 0.33 115.95 124.42 2khn h TRP 72 Ca 0.07 -0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.03 2khn h TRP 72 Cb 0.42 -0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 27.27 2khn h TRP 72 CO 0.04 0.51 0.02 0.00 -2.79 0.00 0.00 178.44 176.22 2khn h ALA 73 N 1.07 1.79 0.00 2.65 0.00 -0.60 -1.75 119.26 122.43 2khn h ALA 73 Ca 0.16 -0.07 -0.22 0.00 0.00 0.00 0.00 54.91 54.79 2khn h ALA 73 Cb 0.10 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 2khn h ALA 73 CO -0.02 0.17 -1.40 -0.07 0.00 0.00 0.00 179.25 177.93 2khn h LEU 74 N 0.19 0.00 0.05 0.00 4.07 -1.34 -3.43 115.31 114.85 2khn h LEU 74 Ca 0.05 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.00 2khn h LEU 74 Cb 0.10 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.84 2khn h LEU 74 CO -0.00 0.78 -0.02 0.00 -1.08 0.00 0.00 178.44 178.12 2khn h ALA 75 N 1.22 -0.88 -1.48 1.53 0.00 0.01 -3.36 119.26 116.30 2khn h ALA 75 Ca -0.18 -0.01 -0.62 0.00 0.00 0.00 0.00 54.91 54.10 2khn h ALA 75 Cb 1.76 0.03 -0.12 0.00 0.00 0.00 0.00 17.79 19.45 2khn h ALA 75 CO 0.07 -0.88 1.03 0.16 0.00 0.00 0.00 179.25 179.64 2khn s ASP 76 N -2.26 6.38 0.50 0.00 -4.77 -1.22 -4.76 116.67 110.55 2khn s ASP 76 Ca -0.01 -1.27 0.16 0.00 -3.30 0.00 0.00 52.55 48.12 2khn s ASP 76 Cb 0.00 -2.49 1.21 0.00 -1.09 0.00 0.00 42.92 40.55 2khn s ASP 76 CO 0.03 -1.46 2.11 0.00 0.70 0.00 0.00 175.17 176.55 2khn h MET 77 N 9.57 0.10 0.00 2.11 -0.00 -1.88 0.46 114.93 125.28 2khn h MET 77 Ca -0.02 -0.01 0.00 0.00 -0.00 0.00 0.00 59.70 59.67 2khn h MET 77 Cb 1.04 -0.02 0.00 0.00 -0.00 0.00 0.00 31.60 32.61 2khn h MET 77 CO 1.26 0.06 0.00 -1.71 -0.00 0.00 0.00 176.91 176.53 2khn n ASN 78 N -4.51 0.42 -3.61 -0.10 5.15 -1.26 -4.92 115.26 106.43 2khn n ASN 78 Ca -0.00 0.62 -0.21 0.00 -0.60 0.00 0.00 54.58 54.39 2khn n ASN 78 Cb 0.15 -0.70 0.01 0.00 -0.53 0.00 0.00 39.78 38.71 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 -1.98 -5.62 -0.00 1.20 4.05 0.16 -4.92 115.26 108.15 2khn n ASN 79 Ca 0.02 -0.77 0.08 0.00 0.45 0.00 0.00 54.58 54.36 2khn n ASN 79 Cb 0.18 -2.84 -0.11 0.00 1.23 0.00 0.00 39.78 38.24 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 -2.38 1.06 -1.58 1.20 2.03 -1.26 -4.99 116.55 110.63 2khn n ASP 80 Ca -0.19 -0.35 -0.10 0.00 0.52 0.00 0.00 54.79 54.66 2khn n ASP 80 Cb 0.62 1.45 0.02 0.00 -0.72 0.00 0.00 41.12 42.49 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 1.49 0.16 0.94 0.27 0.00 -1.26 -4.85 105.19 101.94 2khn n GLY 81 Ca -0.01 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.67 2khn n GLY 81 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2khn n ARG 82 N -2.29 0.00 -2.13 1.61 0.63 -1.26 -2.93 116.66 110.29 2khn n ARG 82 Ca -0.04 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.89 2khn n ARG 82 Cb 0.55 -0.18 0.00 0.00 0.45 0.00 0.00 32.46 33.28 2khn n ARG 82 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2khn n MET 83 N -1.97 -4.54 -1.80 -0.14 0.00 -1.26 -3.74 117.12 103.67 2khn n MET 83 Ca 0.00 3.23 -0.30 0.00 0.00 0.00 0.00 57.70 60.63 2khn n MET 83 Cb 0.00 -3.80 0.16 0.00 0.00 0.00 0.00 33.22 29.58 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 -0.46 3.27 0.62 3.17 -1.08 -1.26 -4.62 116.67 116.31 2khn s ASP 84 Ca 0.00 0.50 0.31 0.00 -0.52 0.00 0.00 52.55 52.84 2khn s ASP 84 Cb 0.00 -0.73 1.75 0.00 -1.46 0.00 0.00 42.92 42.48 2khn s ASP 84 CO 0.00 -2.65 2.08 1.56 0.52 0.00 0.00 175.17 176.68 2khn h GLN 85 N -1.58 0.00 0.29 4.34 1.08 -1.95 0.58 115.11 117.87 2khn h GLN 85 Ca -0.45 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 56.73 2khn h GLN 85 Cb 1.27 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.71 2khn h GLN 85 CO 0.47 0.00 -0.14 0.28 -0.95 0.00 0.00 178.83 178.49 2khn h VAL 86 N 0.00 0.69 0.00 -0.54 2.07 -1.99 -0.31 116.25 116.16 2khn h VAL 86 Ca 0.07 -0.71 -0.06 0.00 0.82 0.00 0.00 66.70 66.81 2khn h VAL 86 Cb 0.52 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 2khn h VAL 86 CO -0.00 0.13 -0.29 -0.33 0.02 0.00 0.00 177.57 177.10 2khn h GLU 87 N -0.81 0.00 -0.48 1.57 3.07 -1.48 -2.10 114.58 114.35 2khn h GLU 87 Ca -0.04 0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 58.70 2khn h GLU 87 Cb 0.51 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.41 2khn h GLU 87 CO 0.06 0.29 -0.16 0.35 -1.40 0.00 0.00 179.01 178.15 2khn h PHE 88 N 0.00 1.05 -0.36 4.33 3.57 0.13 -0.80 116.94 124.85 2khn h PHE 88 Ca -0.00 -0.23 -0.09 0.00 3.53 0.00 0.00 57.97 61.18 2khn h PHE 88 Cb 0.55 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.02 2khn h PHE 88 CO 0.00 1.01 -0.16 0.77 -2.23 0.00 0.00 178.31 177.70 2khn h SER 89 N 0.82 0.65 0.97 0.41 0.02 -0.37 -0.98 113.55 115.07 2khn h SER 89 Ca 0.12 -0.20 -0.21 0.00 -0.84 0.00 0.00 61.79 60.66 2khn h SER 89 Cb 0.71 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 63.04 2khn h SER 89 CO 0.05 0.83 -1.00 -0.29 -1.14 0.00 0.00 176.83 175.28 2khn h ILE 90 N 0.59 1.70 -0.14 3.27 2.10 -1.38 -3.10 117.51 120.55 2khn h ILE 90 Ca 0.10 -3.37 -0.19 0.00 1.08 0.00 0.00 64.86 62.47 2khn h ILE 90 Cb 0.61 2.84 0.00 0.00 -1.09 0.00 0.00 36.82 39.18 2khn h ILE 90 CO 0.04 0.96 -0.71 0.00 -1.08 0.00 0.00 178.15 177.37 2khn h ALA 91 N 0.99 0.50 0.00 0.18 0.00 -0.85 -2.22 119.26 117.86 2khn h ALA 91 Ca -0.02 -0.58 -0.06 0.00 0.00 0.00 0.00 54.91 54.25 2khn h ALA 91 Cb 1.76 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.49 2khn h ALA 91 CO 0.13 0.72 -0.30 0.00 0.00 0.00 0.00 179.25 179.80 2khn h MET 92 N 0.42 0.00 0.03 0.00 -0.00 -1.26 -2.79 114.93 111.33 2khn h MET 92 Ca -0.03 0.00 -0.25 0.00 -0.00 0.00 0.00 59.70 59.42 2khn h MET 92 Cb 1.30 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 32.91 2khn h MET 92 CO 0.13 0.30 -1.04 -0.22 -0.00 0.00 0.00 176.91 176.09 2khn h LYS 93 N 0.00 0.49 -0.50 -0.10 1.63 -1.44 -3.22 116.57 113.42 2khn h LYS 93 Ca -0.00 -0.57 0.02 0.00 -0.85 0.00 0.00 60.65 59.25 2khn h LYS 93 Cb 0.84 0.17 -0.03 0.00 -0.60 0.00 0.00 32.23 32.62 2khn h LYS 93 CO 0.04 1.21 0.33 -0.07 -3.45 0.00 0.00 179.45 177.51 2khn h LEU 94 N 0.26 0.53 -0.53 5.20 4.07 -1.13 -3.00 115.31 120.71 2khn h LEU 94 Ca -0.11 -0.01 0.06 0.00 0.08 0.00 0.00 57.88 57.90 2khn h LEU 94 Cb 1.69 -0.13 -0.05 0.00 1.08 0.00 0.00 40.66 43.25 2khn h LEU 94 CO 0.19 0.37 0.23 0.40 -1.08 0.00 0.00 178.44 178.55 2khn h ILE 95 N 0.62 0.88 -0.66 1.22 1.08 -1.54 0.34 117.51 119.45 2khn h ILE 95 Ca 0.19 -0.15 -0.01 0.00 -0.39 0.00 0.00 64.86 64.50 2khn h ILE 95 Cb 0.02 0.40 -0.03 0.00 -3.07 0.00 0.00 36.82 34.14 2khn h ILE 95 CO -0.05 0.08 0.35 0.50 -0.69 0.00 0.00 178.15 178.35 2khn h LYS 96 N 0.44 0.92 0.00 2.37 3.11 -1.68 0.10 116.57 121.83 2khn h LYS 96 Ca 0.24 -0.11 -0.14 0.00 -2.81 0.00 0.00 60.65 57.84 2khn h LYS 96 Cb 0.22 -0.18 -0.02 0.00 -1.00 0.00 0.00 32.23 31.25 2khn h LYS 96 CO -0.21 0.70 -0.66 1.25 -2.81 0.00 0.00 179.45 177.72 2khn h LEU 97 N 0.90 0.00 -0.79 5.20 5.85 -1.53 -3.10 115.31 121.83 2khn h LEU 97 Ca 0.23 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.82 2khn h LEU 97 Cb 0.05 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 2khn h LEU 97 CO -0.04 0.66 -0.56 0.50 -0.34 0.00 0.00 178.44 178.66 2khn h LYS 98 N 0.00 0.12 0.00 1.25 1.63 0.32 -1.93 116.57 117.95 2khn h LYS 98 Ca -0.01 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.72 2khn h LYS 98 Cb 1.46 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 33.10 2khn h LYS 98 CO 0.09 0.65 0.00 -0.07 -3.45 0.00 0.00 179.45 176.66 2khn h LEU 99 N 0.09 0.00 0.00 5.20 3.38 -0.75 -0.21 115.31 123.02 2khn h LEU 99 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2khn h LEU 99 Cb 1.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.77 2khn h LEU 99 CO 0.08 0.00 -0.53 1.56 0.09 0.00 0.00 178.44 179.64 2khn h GLN 100 N 0.00 0.00 -1.31 1.13 1.08 -1.39 -3.48 115.11 111.13 2khn h GLN 100 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2khn h GLN 100 Cb 0.28 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.71 2khn h GLN 100 CO 0.00 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.29 2khn n GLY 101 N 1.25 0.70 3.91 3.46 0.00 -0.09 -5.07 105.19 109.35 2khn n GLY 101 Ca 0.03 -0.50 -0.28 0.00 0.00 0.00 0.00 46.02 45.27 2khn n GLY 101 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2khn s TYR 102 N -2.80 2.92 -0.04 1.61 1.13 -1.21 -5.06 117.35 113.91 2khn s TYR 102 Ca 0.00 0.65 0.03 0.00 -1.41 0.00 0.00 57.07 56.34 2khn s TYR 102 Cb 0.00 -3.41 0.00 0.00 -1.10 0.00 0.00 41.96 37.45 2khn s TYR 102 CO 0.00 -1.68 -0.11 -0.65 -2.51 0.00 0.00 175.55 170.60 2khn s GLN 103 N -5.48 1.32 -0.17 -3.49 -0.21 -1.26 -4.95 119.66 105.41 2khn s GLN 103 Ca 0.62 -0.39 -0.27 0.00 0.02 0.00 0.00 55.36 55.34 2khn s GLN 103 Cb -0.11 -1.17 0.07 0.00 1.00 0.00 0.00 33.01 32.80 2khn s GLN 103 CO 0.48 0.12 0.68 -1.17 -2.12 0.00 0.00 175.29 173.27 2khn s LEU 104 N 0.29 -0.62 1.18 2.90 2.96 -1.26 -5.18 118.68 118.96 2khn s LEU 104 Ca -0.06 1.10 -0.19 0.00 -0.22 0.00 0.00 54.13 54.75 2khn s LEU 104 Cb -0.11 2.42 0.28 0.00 0.50 0.00 0.00 46.19 49.28 2khn s LEU 104 CO 0.02 -0.39 1.15 -2.84 -1.32 0.00 0.00 176.35 172.97 2khn s PRO 105 N -0.29 -1.03 0.32 0.98 0.02 -1.26 -4.92 135.00 128.82 2khn s PRO 105 Ca -0.05 -0.19 0.24 0.00 0.02 0.00 0.00 61.00 61.03 2khn s PRO 105 Cb -0.03 -1.63 1.13 0.00 0.02 0.00 0.00 34.50 33.99 2khn s PRO 105 CO 0.05 -3.56 1.74 0.77 -0.33 0.00 0.00 177.00 175.67 2khn h SER 106 N -2.47 0.00 -1.68 2.53 0.02 -1.98 -3.36 113.55 106.61 2khn h SER 106 Ca -0.44 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 59.84 2khn h SER 106 Cb 1.28 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.68 2khn h SER 106 CO 0.32 0.00 1.37 0.00 -1.14 0.00 0.00 176.83 177.38 2khn s ALA 107 N -3.45 3.25 0.45 3.77 0.00 -1.26 -4.88 121.76 119.64 2khn s ALA 107 Ca 0.01 -2.73 -0.20 0.00 0.00 0.00 0.00 51.96 49.05 2khn s ALA 107 Cb 0.08 -4.32 -0.10 0.00 0.00 0.00 0.00 23.12 18.78 2khn s ALA 107 CO 0.34 -3.21 0.97 -0.48 0.00 0.00 0.00 175.76 173.39 2khn s LEU 108 N 3.51 3.88 0.68 0.00 0.05 -1.26 -5.02 118.68 120.52 2khn s LEU 108 Ca 0.42 1.73 -0.17 0.00 0.05 0.00 0.00 54.13 56.17 2khn s LEU 108 Cb -0.01 -4.54 0.01 0.00 -2.05 0.00 0.00 46.19 39.60 2khn s LEU 108 CO -0.05 -0.49 1.23 -2.84 -0.55 0.00 0.00 176.35 173.65 2khn s PRO 109 N -3.31 2.41 0.00 1.48 0.02 -1.26 -4.90 135.00 129.45 2khn s PRO 109 Ca 0.63 1.85 0.22 0.00 0.02 0.00 0.00 61.00 63.71 2khn s PRO 109 Cb -0.11 -1.86 1.08 0.00 0.02 0.00 0.00 34.50 33.64 2khn s PRO 109 CO 0.17 -1.65 1.69 -0.35 -0.33 0.00 0.00 177.00 176.53 2khn n PRO 110 N -2.29 0.30 0.19 5.54 -0.04 -1.26 -2.55 135.00 134.89 2khn n PRO 110 Ca 0.14 0.08 0.05 0.00 -0.04 0.00 0.00 63.50 63.73 2khn n PRO 110 Cb 0.50 -1.50 0.35 0.00 -0.04 0.00 0.00 33.50 32.80 2khn n PRO 110 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2khn h VAL 111 N 0.00 1.01 0.02 0.52 2.07 -1.90 0.59 116.25 118.56 2khn h VAL 111 Ca 0.00 -1.50 -0.13 0.00 0.82 0.00 0.00 66.70 65.89 2khn h VAL 111 Cb 0.20 1.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 2khn h VAL 111 CO 0.00 0.39 -0.69 0.24 0.02 0.00 0.00 177.57 177.52 2khn h MET 112 N 0.00 0.05 0.00 1.57 2.86 -1.66 -3.29 114.93 114.46 2khn h MET 112 Ca -0.00 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 2khn h MET 112 Cb 0.85 0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.54 2khn h MET 112 CO 0.05 1.04 0.00 1.57 1.06 0.00 0.00 176.91 180.63 2khn h LYS 113 N -0.87 0.00 0.00 1.72 2.10 -1.65 -3.46 116.57 114.41 2khn h LYS 113 Ca -0.18 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.47 2khn h LYS 113 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 2khn h LYS 113 CO -0.06 0.00 0.00 1.04 -2.00 0.00 0.00 179.45 178.43 2khn n GLN 114 N -2.98 0.00 -3.63 0.07 6.02 0.20 -4.39 117.38 112.68 2khn n GLN 114 Ca 0.01 0.00 -0.39 0.00 -0.01 0.00 0.00 57.00 56.60 2khn n GLN 114 Cb 0.28 0.00 -0.09 0.00 1.02 0.00 0.00 30.24 31.45 2khn n GLN 114 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 2khn s GLN 115 N 0.00 2.36 0.46 -1.09 0.74 -1.26 -4.84 119.66 116.04 2khn s GLN 115 Ca 0.00 -1.86 -0.24 0.00 0.05 0.00 0.00 55.36 53.32 2khn s GLN 115 Cb 0.00 -3.82 -0.07 0.00 1.10 0.00 0.00 33.01 30.22 2khn s GLN 115 CO 0.00 -1.16 1.28 -1.25 -0.55 0.00 0.00 175.29 173.61 2khn s PRO 116 N 1.16 3.66 0.11 1.67 0.04 -1.26 -4.93 135.00 135.45 2khn s PRO 116 Ca 0.08 2.07 -0.31 0.00 0.04 0.00 0.00 61.00 62.87 2khn s PRO 116 Cb -0.24 -2.50 -0.10 0.00 0.04 0.00 0.00 34.50 31.70 2khn s PRO 116 CO -0.02 -0.72 1.71 0.14 0.04 0.00 0.00 177.00 178.15 2khn s VAL 117 N -1.36 2.71 -1.12 -0.36 -7.23 -1.26 -4.90 120.40 106.88 2khn s VAL 117 Ca 0.63 0.28 -0.21 0.00 -1.81 0.00 0.00 61.98 60.88 2khn s VAL 117 Cb -0.36 -3.18 0.06 0.00 0.56 0.00 0.00 36.38 33.46 2khn s VAL 117 CO 0.44 0.00 1.54 0.00 -0.31 0.00 0.00 175.10 176.78 2khn s ALA 118 N 2.34 2.95 0.04 1.32 0.00 -1.26 -4.96 121.76 122.19 2khn s ALA 118 Ca 0.76 -2.51 -0.30 0.00 0.00 0.00 0.00 51.96 49.91 2khn s ALA 118 Cb -0.43 -4.56 -0.08 0.00 0.00 0.00 0.00 23.12 18.05 2khn s ALA 118 CO 0.34 -3.49 1.75 -1.50 0.00 0.00 0.00 175.76 172.86 2khn s ILE 119 N 4.64 3.07 0.53 0.00 2.07 -1.26 -5.00 121.20 125.25 2khn s ILE 119 Ca 0.48 0.36 0.07 0.00 -1.41 0.00 0.00 60.65 60.16 2khn s ILE 119 Cb 0.01 -3.23 0.04 0.00 0.13 0.00 0.00 42.46 39.41 2khn s ILE 119 CO -0.04 -0.01 0.51 -0.94 -1.91 0.00 0.00 174.94 172.55 2khn s SER 120 N 3.12 4.84 0.00 4.50 1.04 -1.26 -5.33 113.70 120.62 2khn s SER 120 Ca 0.78 -1.04 0.07 0.00 0.48 0.00 0.00 55.95 56.23 2khn s SER 120 Cb -0.40 0.21 0.05 0.00 0.10 0.00 0.00 66.02 65.98 2khn s SER 120 CO 0.34 -1.09 0.71 -1.20 0.98 0.00 0.00 173.24 172.98