#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 -0.47 -0.03 -5.12 0.00 -1.26 -5.06 107.32 95.38 2khn s GLY 2 Ca 0.00 1.57 -0.23 0.00 0.00 0.00 0.00 44.72 46.06 2khn s GLY 2 CO 0.00 2.61 1.04 0.45 0.00 0.00 0.00 173.10 177.21 2khn h HIS 3 N 8.14 0.37 -3.99 1.90 3.86 -2.13 -3.47 115.15 119.83 2khn h HIS 3 Ca -0.17 -0.20 -0.39 0.00 -1.16 0.00 0.00 60.37 58.45 2khn h HIS 3 Cb 1.12 -0.04 0.01 0.00 1.06 0.00 0.00 27.41 29.55 2khn h HIS 3 CO 0.23 1.01 -0.54 0.72 0.86 0.00 0.00 177.93 180.21 2khn n HIS 4 N -4.41 -1.55 -4.56 2.45 -0.00 -1.26 -4.96 115.22 100.93 2khn n HIS 4 Ca -0.10 0.27 -0.33 0.00 -0.00 0.00 0.00 57.72 57.55 2khn n HIS 4 Cb 0.56 -3.93 -0.14 0.00 -0.00 0.00 0.00 29.99 26.48 2khn n HIS 4 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2khn s HIS 5 N -3.03 2.86 -0.10 4.41 2.46 -1.26 -4.90 115.29 115.72 2khn s HIS 5 Ca 0.17 -0.70 -0.05 0.00 0.47 0.00 0.00 55.06 54.95 2khn s HIS 5 Cb -0.08 -1.90 0.02 0.00 -0.13 0.00 0.00 32.58 30.49 2khn s HIS 5 CO 0.21 -0.28 0.09 1.58 -2.47 0.00 0.00 174.74 173.87 2khn n HIS 6 N 3.79 -2.12 -4.30 3.88 -0.00 -1.26 -5.10 115.22 110.11 2khn n HIS 6 Ca -0.18 1.17 -0.15 0.00 -0.00 0.00 0.00 57.72 58.56 2khn n HIS 6 Cb 0.52 -2.69 -0.04 0.00 -0.00 0.00 0.00 29.99 27.79 2khn n HIS 6 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2khn n HIS 7 N 0.70 0.15 -2.91 1.57 -0.00 -1.26 -5.08 115.22 108.39 2khn n HIS 7 Ca -0.16 -1.45 -0.44 0.00 -0.00 0.00 0.00 57.72 55.67 2khn n HIS 7 Cb 0.24 -0.03 -0.03 0.00 -0.00 0.00 0.00 29.99 30.18 2khn n HIS 7 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2khn s HIS 8 N -2.35 3.07 -0.24 4.41 3.76 -1.26 -4.99 115.29 117.69 2khn s HIS 8 Ca 0.10 -1.31 -0.29 0.00 -0.15 0.00 0.00 55.06 53.41 2khn s HIS 8 Cb 0.00 -4.29 -0.02 0.00 1.11 0.00 0.00 32.58 29.38 2khn s HIS 8 CO 0.07 -1.51 1.58 -1.12 -0.85 0.00 0.00 174.74 172.91 2khn s SER 9 N 3.68 6.39 -0.04 1.40 0.01 -1.26 -4.81 113.70 119.07 2khn s SER 9 Ca 0.32 1.54 -0.01 0.00 1.31 0.00 0.00 55.95 59.11 2khn s SER 9 Cb -0.06 -2.53 -0.02 0.00 0.21 0.00 0.00 66.02 63.62 2khn s SER 9 CO -0.08 -1.26 -0.04 1.57 0.41 0.00 0.00 173.24 173.83 2khn n HIS 10 N 8.45 0.00 -1.21 2.43 -0.00 -1.26 -5.02 115.22 118.61 2khn n HIS 10 Ca 0.18 0.00 -0.07 0.00 -0.00 0.00 0.00 57.72 57.83 2khn n HIS 10 Cb 0.45 -0.14 -0.03 0.00 -0.00 0.00 0.00 29.99 30.28 2khn n HIS 10 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.34 175.01 2khn n MET 11 N -3.01 -1.60 -3.95 1.57 0.00 -1.26 -4.92 117.12 103.95 2khn n MET 11 Ca -0.07 0.72 -0.31 0.00 0.00 0.00 0.00 57.70 58.05 2khn n MET 11 Cb 0.56 -5.04 -0.15 0.00 0.00 0.00 0.00 33.22 28.58 2khn n MET 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2khn s ALA 12 N -1.73 2.56 0.00 3.04 0.00 -1.26 -4.84 121.76 119.53 2khn s ALA 12 Ca 0.00 -2.31 0.00 0.00 0.00 0.00 0.00 51.96 49.65 2khn s ALA 12 Cb 0.00 -1.88 0.00 0.00 0.00 0.00 0.00 23.12 21.24 2khn s ALA 12 CO 0.00 -1.68 0.00 0.94 0.00 0.00 0.00 175.76 175.02 2khn n GLN 13 N 4.40 0.00 -2.54 0.00 7.27 -1.26 -5.12 117.38 120.13 2khn n GLN 13 Ca 0.02 0.00 -0.03 0.00 0.07 0.00 0.00 57.00 57.06 2khn n GLN 13 Cb 0.42 -0.34 0.00 0.00 2.41 0.00 0.00 30.24 32.73 2khn n GLN 13 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32 2khn n PHE 14 N -1.79 -3.11 -1.50 3.69 3.72 -1.26 -4.81 117.46 112.40 2khn n PHE 14 Ca 0.00 1.33 -0.45 0.00 -0.05 0.00 0.00 57.45 58.28 2khn n PHE 14 Cb 0.00 -3.60 -0.06 0.00 -0.94 0.00 0.00 39.48 34.88 2khn n PHE 14 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 2khn n PRO 15 N 0.18 1.14 -0.02 -1.08 -0.02 -1.26 -4.76 135.00 129.18 2khn n PRO 15 Ca 0.04 0.25 -0.05 0.00 -2.02 0.00 0.00 63.50 61.72 2khn n PRO 15 Cb 0.16 -2.73 -0.02 0.00 -0.02 0.00 0.00 33.50 30.90 2khn n PRO 15 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 2khn n THR 16 N 7.51 0.28 -1.68 3.45 -1.04 -1.26 -5.01 114.28 116.54 2khn n THR 16 Ca 0.41 -0.06 -0.53 0.00 -2.04 0.00 0.00 64.05 61.82 2khn n THR 16 Cb 0.32 -1.57 -0.06 0.00 -1.82 0.00 0.00 70.33 67.20 2khn n THR 16 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 2khn n PRO 17 N -3.22 1.51 -3.55 -2.82 -0.02 -1.26 -4.96 135.00 120.67 2khn n PRO 17 Ca -0.09 0.55 -0.22 0.00 -2.02 0.00 0.00 63.50 61.72 2khn n PRO 17 Cb 0.56 -2.28 -0.02 0.00 -0.02 0.00 0.00 33.50 31.74 2khn n PRO 17 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 2khn n PHE 18 N 5.19 -0.17 -4.03 6.00 -1.74 -1.26 -5.16 117.46 116.28 2khn n PHE 18 Ca 0.24 -1.82 -0.02 0.00 -0.56 0.00 0.00 57.45 55.29 2khn n PHE 18 Cb 0.20 -0.31 -0.01 0.00 1.52 0.00 0.00 39.48 40.88 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 0.13 3.98 0.00 4.97 0.00 -1.26 -5.17 105.19 107.84 2khn n GLY 19 Ca -0.07 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.15 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 0.93 0.16 3.10 -0.02 0.00 -1.26 -5.11 105.19 103.00 2khn n GLY 20 Ca 0.00 -1.59 -0.31 0.00 0.00 0.00 0.00 46.02 44.12 2khn n GLY 20 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2khn s SER 21 N 0.00 2.89 0.00 1.61 0.01 -1.26 -4.95 113.70 112.00 2khn s SER 21 Ca 0.00 -0.56 0.00 0.00 1.31 0.00 0.00 55.95 56.70 2khn s SER 21 Cb 0.00 -1.33 0.00 0.00 0.21 0.00 0.00 66.02 64.90 2khn s SER 21 CO 0.00 0.02 0.00 -0.11 0.41 0.00 0.00 173.24 173.56 2khn n LEU 22 N 4.39 0.00 -3.98 2.44 7.94 -1.26 -4.98 117.00 121.55 2khn n LEU 22 Ca -0.19 -0.36 -0.26 0.00 -1.11 0.00 0.00 56.01 54.09 2khn n LEU 22 Cb 0.51 0.00 -0.17 0.00 0.53 0.00 0.00 43.42 44.29 2khn n LEU 22 CO 0.25 0.00 -0.46 1.51 -1.11 0.00 0.00 177.39 177.58 2khn s ASP 23 N -0.97 2.00 0.00 1.96 -4.77 -1.26 -4.99 116.67 108.64 2khn s ASP 23 Ca 0.00 -0.32 0.00 0.00 -3.30 0.00 0.00 52.55 48.93 2khn s ASP 23 Cb 0.00 -0.86 0.00 0.00 -1.09 0.00 0.00 42.92 40.97 2khn s ASP 23 CO 0.00 -0.03 0.00 0.41 0.70 0.00 0.00 175.17 176.25 2khn n THR 24 N 4.32 0.00 0.14 2.11 -1.04 -1.26 -4.85 114.28 113.70 2khn n THR 24 Ca -0.18 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 61.85 2khn n THR 24 Cb 0.51 -0.85 0.07 0.00 -1.82 0.00 0.00 70.33 68.23 2khn n THR 24 CO 0.00 0.00 0.00 -0.50 -0.64 0.00 0.00 175.07 173.93 2khn h TRP 25 N 0.00 0.00 -4.01 -1.42 4.06 -2.00 -3.46 115.95 109.12 2khn h TRP 25 Ca 0.00 0.00 -0.55 0.00 2.06 0.00 0.00 58.89 60.40 2khn h TRP 25 Cb 0.49 0.00 0.13 0.00 -1.00 0.00 0.00 29.16 28.78 2khn h TRP 25 CO 0.00 0.53 0.69 0.00 -3.56 0.00 0.00 178.44 176.09 2khn s ALA 26 N -3.04 3.14 -0.71 1.49 0.00 -1.26 -4.64 121.76 116.73 2khn s ALA 26 Ca 0.03 1.45 -0.17 0.00 0.00 0.00 0.00 51.96 53.27 2khn s ALA 26 Cb 0.08 -3.59 0.15 0.00 0.00 0.00 0.00 23.12 19.76 2khn s ALA 26 CO 0.74 -1.26 0.77 0.42 0.00 0.00 0.00 175.76 176.43 2khn s ILE 27 N -1.22 5.09 0.79 0.00 1.01 -1.26 -5.00 121.20 120.61 2khn s ILE 27 Ca 0.64 -1.60 -0.11 0.00 0.00 0.00 0.00 60.65 59.57 2khn s ILE 27 Cb -0.43 -4.51 0.07 0.00 0.01 0.00 0.00 42.46 37.59 2khn s ILE 27 CO 0.55 -1.13 1.09 -0.89 0.00 0.00 0.00 174.94 174.56 2khn s THR 28 N 1.79 3.16 0.44 2.92 2.01 -1.26 -4.81 115.64 119.90 2khn s THR 28 Ca 0.16 0.38 0.19 0.00 0.31 0.00 0.00 61.69 62.73 2khn s THR 28 Cb -0.18 -3.10 0.39 0.00 0.01 0.00 0.00 72.50 69.63 2khn s THR 28 CO -0.01 -0.49 1.89 1.62 -0.69 0.00 0.00 174.62 176.93 2khn h VAL 29 N -1.08 0.70 -0.36 3.82 3.04 -1.98 0.10 116.25 120.48 2khn h VAL 29 Ca -0.47 -0.11 -0.00 0.00 -1.01 0.00 0.00 66.70 65.11 2khn h VAL 29 Cb 1.26 0.34 -0.02 0.00 -2.01 0.00 0.00 31.29 30.86 2khn h VAL 29 CO 0.58 0.06 0.22 -0.33 -1.01 0.00 0.00 177.57 177.09 2khn h GLU 30 N 0.33 0.49 -0.70 4.17 5.08 -1.98 0.34 114.58 122.31 2khn h GLU 30 Ca 0.42 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.70 2khn h GLU 30 Cb 1.14 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.26 2khn h GLU 30 CO -0.13 0.37 0.27 0.93 -1.00 0.00 0.00 179.01 179.45 2khn h GLU 31 N 0.47 1.03 -0.11 2.33 4.39 -1.21 0.42 114.58 121.91 2khn h GLU 31 Ca 0.13 -0.18 -0.03 0.00 0.34 0.00 0.00 59.36 59.63 2khn h GLU 31 Cb 0.00 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 28.48 2khn h GLU 31 CO -0.02 0.84 -0.04 -0.09 -1.16 0.00 0.00 179.01 178.54 2khn h ARG 32 N 1.01 0.21 -0.55 2.33 2.43 -0.67 -2.89 114.38 116.26 2khn h ARG 32 Ca 0.23 -0.09 -0.02 0.00 -0.81 0.00 0.00 59.98 59.30 2khn h ARG 32 Cb 0.20 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.71 2khn h ARG 32 CO -0.02 0.54 0.26 0.00 -1.51 0.00 0.00 179.97 179.24 2khn h ALA 33 N 0.67 1.42 0.00 2.80 0.00 -0.17 -1.92 119.26 122.06 2khn h ALA 33 Ca 0.03 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2khn h ALA 33 Cb 0.47 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2khn h ALA 33 CO 0.01 0.45 -0.07 -0.22 0.00 0.00 0.00 179.25 179.43 2khn h LYS 34 N 0.77 0.00 -0.33 0.00 3.64 -0.78 -2.10 116.57 117.77 2khn h LYS 34 Ca 0.19 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.60 2khn h LYS 34 Cb 0.09 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.88 2khn h LYS 34 CO -0.03 0.07 0.16 0.45 -2.27 0.00 0.00 179.45 177.84 2khn h HIS 35 N 0.00 0.29 -0.80 1.91 3.86 -1.14 -3.03 115.15 116.25 2khn h HIS 35 Ca -0.00 0.01 0.03 0.00 -1.16 0.00 0.00 60.37 59.25 2khn h HIS 35 Cb 0.16 -0.08 -0.05 0.00 1.06 0.00 0.00 27.41 28.50 2khn h HIS 35 CO 0.00 0.16 0.51 0.22 0.86 0.00 0.00 177.93 179.68 2khn h ASP 36 N 0.33 0.85 -0.28 2.45 1.82 -1.47 0.19 116.42 120.31 2khn h ASP 36 Ca 0.14 -0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 56.77 2khn h ASP 36 Cb 0.06 -0.19 -0.01 0.00 0.68 0.00 0.00 39.33 39.87 2khn h ASP 36 CO -0.10 0.59 0.15 1.56 -1.61 0.00 0.00 179.24 179.83 2khn h GLN 37 N 1.00 0.39 -0.01 0.28 1.08 -1.58 0.31 115.11 116.58 2khn h GLN 37 Ca 0.32 -0.05 -0.25 0.00 -1.45 0.00 0.00 58.65 57.22 2khn h GLN 37 Cb 0.00 -0.08 0.01 0.00 -0.05 0.00 0.00 27.48 27.37 2khn h GLN 37 CO -0.11 0.34 -1.00 1.96 -0.95 0.00 0.00 178.83 179.07 2khn h GLN 38 N 0.34 0.62 -0.75 1.46 4.20 -1.40 -2.86 115.11 116.71 2khn h GLN 38 Ca 0.10 -0.65 -0.01 0.00 0.06 0.00 0.00 58.65 58.15 2khn h GLN 38 Cb 0.07 0.18 -0.04 0.00 0.30 0.00 0.00 27.48 27.99 2khn h GLN 38 CO -0.02 1.26 0.44 0.35 -0.67 0.00 0.00 178.83 180.19 2khn h PHE 39 N 0.35 1.01 -0.82 2.96 3.57 -0.48 -1.68 116.94 121.85 2khn h PHE 39 Ca -0.11 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.47 2khn h PHE 39 Cb 1.65 -0.33 -0.07 0.00 2.79 0.00 0.00 35.95 39.99 2khn h PHE 39 CO 0.09 0.69 0.47 1.25 -2.23 0.00 0.00 178.31 178.58 2khn h HIS 40 N 1.03 0.85 0.00 0.41 2.76 -0.35 -1.70 115.15 118.15 2khn h HIS 40 Ca 0.27 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.47 2khn h HIS 40 Cb -0.01 -0.26 0.00 0.00 1.55 0.00 0.00 27.41 28.69 2khn h HIS 40 CO -0.01 0.35 0.00 0.77 -1.30 0.00 0.00 177.93 177.75 2khn h SER 41 N 0.79 0.00 1.05 3.26 0.02 -1.10 -3.07 113.55 114.50 2khn h SER 41 Ca 0.39 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.34 2khn h SER 41 Cb 0.35 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.89 2khn h SER 41 CO -0.24 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 175.63 2khn n LEU 42 N -2.94 0.47 -2.60 5.07 4.77 -0.64 -4.94 117.00 116.20 2khn n LEU 42 Ca 0.03 0.57 -0.02 0.00 -0.03 0.00 0.00 56.01 56.56 2khn n LEU 42 Cb 0.41 -0.45 0.01 0.00 -2.33 0.00 0.00 43.42 41.06 2khn n LEU 42 CO 0.30 -0.24 0.20 0.29 -1.33 0.00 0.00 177.39 176.61 2khn n LYS 43 N -1.97 -1.02 -1.42 3.23 4.76 -1.16 -5.02 118.16 115.56 2khn n LYS 43 Ca 0.05 1.08 -0.31 0.00 -2.87 0.00 0.00 58.31 56.26 2khn n LYS 43 Cb 0.32 -4.45 0.08 0.00 -1.84 0.00 0.00 35.03 29.14 2khn n LYS 43 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2khn s PRO 44 N -3.17 2.48 -0.45 1.97 0.04 -1.26 -5.02 135.00 129.59 2khn s PRO 44 Ca 0.06 1.18 -0.14 0.00 0.04 0.00 0.00 61.00 62.14 2khn s PRO 44 Cb -0.01 -1.92 0.06 0.00 0.04 0.00 0.00 34.50 32.67 2khn s PRO 44 CO 0.52 -1.48 0.35 0.42 0.04 0.00 0.00 177.00 176.85 2khn s ILE 45 N -2.80 5.06 0.00 0.56 1.09 -0.81 -4.81 121.20 119.49 2khn s ILE 45 Ca 0.62 -1.04 0.00 0.00 -1.10 0.00 0.00 60.65 59.13 2khn s ILE 45 Cb -0.17 -3.99 0.00 0.00 -1.06 0.00 0.00 42.46 37.24 2khn s ILE 45 CO 0.53 -0.51 0.00 -0.24 -0.10 0.00 0.00 174.94 174.61 2khn n SER 46 N 5.14 0.00 -0.82 3.58 2.88 -1.26 -1.70 113.62 121.45 2khn n SER 46 Ca -0.12 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.38 2khn n SER 46 Cb 0.44 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.86 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 0.48 3.31 0.46 0.00 -1.26 -5.14 105.19 103.04 2khn n GLY 47 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 0.53 0.21 1.61 -0.12 -0.69 -4.91 117.98 114.61 2khn s PHE 48 Ca 0.00 -0.89 0.02 0.00 -0.05 0.00 0.00 56.93 56.02 2khn s PHE 48 Cb 0.00 -0.15 -0.01 0.00 -0.63 0.00 0.00 43.02 42.23 2khn s PHE 48 CO 0.00 -0.70 0.23 0.44 -0.05 0.00 0.00 175.22 175.14 2khn n ILE 49 N -0.21 0.00 -4.17 -4.49 -5.35 -1.26 -1.92 119.36 101.96 2khn n ILE 49 Ca -0.06 -1.35 -0.17 0.00 -0.27 0.00 0.00 62.75 60.91 2khn n ILE 49 Cb 0.63 0.73 -0.05 0.00 -1.74 0.00 0.00 39.64 39.21 2khn n ILE 49 CO 0.00 0.00 0.00 1.07 -1.76 0.00 0.00 176.55 175.86 2khn n THR 50 N -0.38 0.00 -0.21 7.28 5.66 -1.24 -4.77 114.28 120.62 2khn n THR 50 Ca 0.03 -2.07 0.11 0.00 -3.05 0.00 0.00 64.05 59.07 2khn n THR 50 Cb 0.37 1.12 0.41 0.00 -1.55 0.00 0.00 70.33 70.69 2khn n THR 50 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 175.07 173.25 2khn h GLY 51 N 1.95 0.97 1.00 1.09 0.00 -1.57 0.26 103.07 106.77 2khn h GLY 51 Ca -0.24 -0.26 -0.00 0.00 0.00 0.00 0.00 47.33 46.82 2khn h GLY 51 CO 0.34 0.13 0.43 -1.80 0.00 0.00 0.00 176.54 175.64 2khn h ASP 52 N 0.63 0.83 0.04 0.19 3.58 -1.91 0.11 116.42 119.88 2khn h ASP 52 Ca 0.38 -0.05 -0.22 0.00 0.42 0.00 0.00 57.03 57.56 2khn h ASP 52 Cb 0.60 -0.21 0.02 0.00 1.72 0.00 0.00 39.33 41.46 2khn h ASP 52 CO -0.14 0.63 -0.88 1.56 -2.88 0.00 0.00 179.24 177.53 2khn h GLN 53 N 0.95 0.52 -0.83 0.28 7.50 -1.65 -3.35 115.11 118.53 2khn h GLN 53 Ca 0.25 -0.62 0.04 0.00 0.50 0.00 0.00 58.65 58.82 2khn h GLN 53 Cb -0.05 0.19 -0.05 0.00 0.05 0.00 0.00 27.48 27.62 2khn h GLN 53 CO -0.05 1.24 0.53 0.00 -1.50 0.00 0.00 178.83 179.05 2khn h ALA 54 N 0.30 1.10 -0.64 3.87 0.00 -0.16 -2.27 119.26 121.46 2khn h ALA 54 Ca -0.12 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2khn h ALA 54 Cb 1.58 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 19.07 2khn h ALA 54 CO 0.17 0.35 0.37 0.07 0.00 0.00 0.00 179.25 180.21 2khn h ARG 55 N 1.02 0.87 -0.22 0.00 0.11 -0.93 -2.23 114.38 113.00 2khn h ARG 55 Ca 0.34 -0.08 -0.05 0.00 0.10 0.00 0.00 59.98 60.28 2khn h ARG 55 Cb 0.03 -0.18 -0.01 0.00 1.11 0.00 0.00 29.97 30.92 2khn h ARG 55 CO -0.12 0.62 -0.10 -0.97 0.10 0.00 0.00 179.97 179.50 2khn h ASN 56 N 0.88 0.33 0.84 0.08 -0.73 -1.54 0.09 115.58 115.54 2khn h ASN 56 Ca 0.23 -0.07 -0.04 0.00 1.87 0.00 0.00 56.30 58.29 2khn h ASN 56 Cb -0.01 -0.09 0.01 0.00 0.27 0.00 0.00 38.32 38.50 2khn h ASN 56 CO -0.04 0.48 -0.40 0.15 -0.37 0.00 0.00 177.43 177.24 2khn h PHE 57 N 0.33 -1.04 0.00 0.67 3.57 -1.37 -1.72 116.94 117.39 2khn h PHE 57 Ca 0.07 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.50 2khn h PHE 57 Cb 0.39 0.34 -0.01 0.00 2.79 0.00 0.00 35.95 39.47 2khn h PHE 57 CO 0.01 -0.65 -0.22 0.27 -2.23 0.00 0.00 178.31 175.50 2khn h PHE 58 N -1.13 0.00 -0.17 0.41 -5.15 -1.59 -2.92 116.94 106.39 2khn h PHE 58 Ca -0.11 0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 57.64 2khn h PHE 58 Cb 0.86 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.02 2khn h PHE 58 CO -0.01 0.22 0.04 0.35 -2.00 0.00 0.00 178.31 176.90 2khn h PHE 59 N 0.00 0.24 0.00 6.09 3.57 -0.80 -2.05 116.94 123.99 2khn h PHE 59 Ca -0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 2khn h PHE 59 Cb 1.03 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.69 2khn h PHE 59 CO 0.00 0.22 0.00 0.94 -2.23 0.00 0.00 178.31 177.24 2khn n GLN 60 N -4.43 0.02 -0.10 1.11 -0.06 -0.66 -2.57 117.38 110.69 2khn n GLN 60 Ca -0.00 0.31 -0.14 0.00 -2.00 0.00 0.00 57.00 55.17 2khn n GLN 60 Cb 0.14 -1.50 -0.04 0.00 -4.06 0.00 0.00 30.24 24.79 2khn n GLN 60 CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52 2khn h SER 61 N 0.00 0.91 0.00 1.69 4.64 -1.53 -3.47 113.55 115.79 2khn h SER 61 Ca 0.00 -0.49 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 2khn h SER 61 Cb 0.17 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 2khn h SER 61 CO 0.00 1.22 0.00 0.61 -0.87 0.00 0.00 176.83 177.79 2khn n GLY 62 N 0.23 1.15 3.87 -0.77 0.00 -1.06 -5.11 105.19 103.51 2khn n GLY 62 Ca -0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 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 3.56 0.64 0.99 1.43 -1.26 -5.06 118.68 118.98 2khn s LEU 63 Ca 0.00 1.27 -0.17 0.00 -1.03 0.00 0.00 54.13 54.21 2khn s LEU 63 Cb 0.00 -4.23 -0.01 0.00 0.03 0.00 0.00 46.19 41.98 2khn s LEU 63 CO 0.00 -0.62 1.16 -2.84 0.23 0.00 0.00 176.35 174.28 2khn s PRO 64 N -4.49 2.80 0.20 1.29 0.02 -1.26 -4.75 135.00 128.82 2khn s PRO 64 Ca 0.53 1.61 -0.10 0.00 0.02 0.00 0.00 61.00 63.06 2khn s PRO 64 Cb -0.10 -1.93 0.26 0.00 0.02 0.00 0.00 34.50 32.74 2khn s PRO 64 CO 0.41 -1.29 1.75 1.96 -0.33 0.00 0.00 177.00 179.50 2khn h GLN 65 N 0.38 0.41 -0.90 5.54 4.20 -1.98 0.18 115.11 122.94 2khn h GLN 65 Ca -0.48 -0.02 0.15 0.00 0.06 0.00 0.00 58.65 58.35 2khn h GLN 65 Cb 1.27 -0.09 -0.09 0.00 0.30 0.00 0.00 27.48 28.86 2khn h GLN 65 CO 0.54 0.27 0.50 -1.35 -0.67 0.00 0.00 178.83 178.12 2khn h PRO 66 N 0.42 0.70 -0.17 1.46 0.11 -1.99 0.21 132.00 132.74 2khn h PRO 66 Ca 0.29 -0.04 -0.22 0.00 0.11 0.00 0.00 66.00 66.14 2khn h PRO 66 Cb 0.34 -0.16 0.01 0.00 0.11 0.00 0.00 31.00 31.30 2khn h PRO 66 CO -0.28 0.46 -0.75 0.28 -0.21 0.00 0.00 178.00 177.50 2khn h VAL 67 N 0.72 1.28 -0.21 3.15 2.07 -1.52 -2.27 116.25 119.47 2khn h VAL 67 Ca 0.48 -1.94 0.02 0.00 0.82 0.00 0.00 66.70 66.08 2khn h VAL 67 Cb 0.65 1.94 -0.02 0.00 -1.52 0.00 0.00 31.29 32.33 2khn h VAL 67 CO -0.34 0.62 0.08 -0.07 0.02 0.00 0.00 177.57 177.87 2khn h LEU 68 N 0.56 0.09 -1.73 2.57 3.38 -0.04 -0.57 115.31 119.57 2khn h LEU 68 Ca -0.04 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 2khn h LEU 68 Cb 1.38 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.13 2khn h LEU 68 CO 0.16 0.08 -0.05 0.00 0.09 0.00 0.00 178.44 178.71 2khn h ALA 69 N 1.13 1.78 -0.31 1.53 0.00 -0.60 -1.88 119.26 120.91 2khn h ALA 69 Ca 0.09 -0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 2khn h ALA 69 Cb 0.06 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 2khn h ALA 69 CO -0.09 0.17 -0.40 1.96 0.00 0.00 0.00 179.25 180.89 2khn h GLN 70 N 0.10 0.82 -0.53 0.00 1.08 -0.73 0.12 115.11 115.97 2khn h GLN 70 Ca 0.02 -0.47 0.08 0.00 -1.45 0.00 0.00 58.65 56.83 2khn h GLN 70 Cb 0.17 0.03 -0.06 0.00 -0.05 0.00 0.00 27.48 27.57 2khn h GLN 70 CO 0.01 1.10 0.18 0.82 -0.95 0.00 0.00 178.83 179.99 2khn h ILE 71 N 0.59 0.81 -0.39 2.54 2.04 -0.34 0.18 117.51 122.93 2khn h ILE 71 Ca 0.04 -0.12 -0.06 0.00 1.00 0.00 0.00 64.86 65.71 2khn h ILE 71 Cb 1.00 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 2khn h ILE 71 CO 0.09 0.07 0.00 -0.25 0.00 0.00 0.00 178.15 178.07 2khn h TRP 72 N 0.36 0.75 -0.81 1.37 7.01 -1.37 -1.29 115.95 121.97 2khn h TRP 72 Ca 0.26 -0.13 0.00 0.00 2.11 0.00 0.00 58.89 61.13 2khn h TRP 72 Cb 0.29 -0.20 -0.04 0.00 -2.10 0.00 0.00 29.16 27.12 2khn h TRP 72 CO -0.17 0.77 0.51 0.00 -2.79 0.00 0.00 178.44 176.76 2khn h ALA 73 N 0.88 1.02 0.06 2.65 0.00 0.36 0.33 119.26 124.57 2khn h ALA 73 Ca 0.11 -0.07 -0.24 0.00 0.00 0.00 0.00 54.91 54.71 2khn h ALA 73 Cb 0.47 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 2khn h ALA 73 CO 0.02 0.46 -1.06 -0.07 0.00 0.00 0.00 179.25 178.60 2khn h LEU 74 N 1.10 0.39 0.02 0.00 4.07 -0.71 -3.35 115.31 116.82 2khn h LEU 74 Ca 0.29 -0.36 -0.20 0.00 0.08 0.00 0.00 57.88 57.70 2khn h LEU 74 Cb -0.09 -0.12 0.02 0.00 1.08 0.00 0.00 40.66 41.54 2khn h LEU 74 CO -0.06 1.21 -0.78 0.00 -1.08 0.00 0.00 178.44 177.74 2khn h ALA 75 N 0.74 0.07 -0.47 1.53 0.00 -0.81 -3.38 119.26 116.95 2khn h ALA 75 Ca -0.09 -0.63 -0.59 0.00 0.00 0.00 0.00 54.91 53.60 2khn h ALA 75 Cb 1.74 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 19.54 2khn h ALA 75 CO 0.17 0.46 2.13 -3.47 0.00 0.00 0.00 179.25 178.54 2khn n ASP 76 N -4.09 3.92 0.20 0.00 -0.08 0.11 -4.63 116.55 111.98 2khn n ASP 76 Ca -0.11 -2.81 0.05 0.00 -1.51 0.00 0.00 54.79 50.40 2khn n ASP 76 Cb 0.76 -1.64 0.48 0.00 2.34 0.00 0.00 41.12 43.06 2khn n ASP 76 CO 0.00 0.00 0.00 0.24 0.12 0.00 0.00 177.20 177.56 2khn h MET 77 N 7.83 0.07 0.00 -0.67 2.86 -1.83 -0.70 114.93 122.49 2khn h MET 77 Ca 0.41 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 58.04 2khn h MET 77 Cb 0.81 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.46 2khn h MET 77 CO 1.56 0.22 -0.29 -1.71 1.06 0.00 0.00 176.91 177.75 2khn n ASN 78 N -4.32 0.42 -3.57 1.22 5.15 -1.26 -4.94 115.26 107.96 2khn n ASN 78 Ca -0.02 0.19 -0.19 0.00 -0.60 0.00 0.00 54.58 53.95 2khn n ASN 78 Cb 0.24 -0.16 0.06 0.00 -0.53 0.00 0.00 39.78 39.39 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 -1.73 -1.68 0.09 1.20 4.05 -0.27 -4.91 115.26 112.01 2khn n ASN 79 Ca 0.06 -0.72 -0.14 0.00 0.45 0.00 0.00 54.58 54.23 2khn n ASN 79 Cb 0.37 -4.59 -0.09 0.00 1.23 0.00 0.00 39.78 36.70 2khn n ASN 79 CO 0.00 0.00 0.00 -0.78 -3.05 0.00 0.00 177.26 173.43 2khn h ASP 80 N -1.90 0.44 0.00 1.20 3.58 -1.92 -3.47 116.42 114.35 2khn h ASP 80 Ca -0.60 -0.42 0.00 0.00 0.42 0.00 0.00 57.03 56.43 2khn h ASP 80 Cb 1.35 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 42.26 2khn h ASP 80 CO 0.53 1.27 0.00 0.61 -2.88 0.00 0.00 179.24 178.77 2khn n GLY 81 N 1.25 0.74 0.01 -0.78 0.00 -1.26 -4.84 105.19 100.31 2khn n GLY 81 Ca -0.07 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.12 2.26 -2.55 1.61 1.74 -1.26 -3.43 116.66 112.91 2khn n ARG 82 Ca 0.00 -0.01 -0.01 0.00 -0.77 0.00 0.00 57.85 57.06 2khn n ARG 82 Cb 0.00 -1.06 -0.01 0.00 -1.02 0.00 0.00 32.46 30.37 2khn n ARG 82 CO 0.00 0.00 0.00 -0.12 -1.52 0.00 0.00 177.63 175.99 2khn n MET 83 N -1.90 -3.27 -1.68 5.56 0.00 -1.26 -3.36 117.12 111.21 2khn n MET 83 Ca -0.03 2.63 -0.30 0.00 -0.00 0.00 0.00 57.70 60.01 2khn n MET 83 Cb 0.38 -4.82 0.08 0.00 0.00 0.00 0.00 33.22 28.86 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 -1.29 4.65 0.59 6.12 2.15 -1.26 -4.63 116.67 122.99 2khn s ASP 84 Ca -0.04 1.16 0.29 0.00 0.43 0.00 0.00 52.55 54.38 2khn s ASP 84 Cb 0.00 -1.87 1.47 0.00 -0.30 0.00 0.00 42.92 42.23 2khn s ASP 84 CO 0.69 -1.85 1.89 1.56 -0.17 0.00 0.00 175.17 177.29 2khn h GLN 85 N -1.01 0.00 0.02 4.34 1.08 -1.95 0.65 115.11 118.25 2khn h GLN 85 Ca -0.47 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 56.73 2khn h GLN 85 Cb 1.28 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.71 2khn h GLN 85 CO 0.62 0.00 -0.01 0.28 -0.95 0.00 0.00 178.83 178.76 2khn h VAL 86 N 0.00 1.30 -0.38 -0.54 2.07 -1.99 -0.46 116.25 116.25 2khn h VAL 86 Ca 0.22 -1.05 -0.10 0.00 0.82 0.00 0.00 66.70 66.59 2khn h VAL 86 Cb 1.20 2.00 -0.02 0.00 -1.52 0.00 0.00 31.29 32.95 2khn h VAL 86 CO -0.00 0.27 -0.19 -0.33 0.02 0.00 0.00 177.57 177.34 2khn h GLU 87 N -0.49 0.72 -0.34 1.57 3.07 -1.12 -2.36 114.58 115.63 2khn h GLU 87 Ca -0.00 -0.27 -0.01 0.00 -0.50 0.00 0.00 59.36 58.58 2khn h GLU 87 Cb 0.46 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.31 2khn h GLU 87 CO 0.01 0.85 0.18 0.35 -1.40 0.00 0.00 179.01 179.00 2khn h PHE 88 N 0.64 0.44 -0.80 4.33 3.57 0.19 0.11 116.94 125.42 2khn h PHE 88 Ca 0.10 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.62 2khn h PHE 88 Cb 0.67 -0.15 -0.05 0.00 2.79 0.00 0.00 35.95 39.22 2khn h PHE 88 CO 0.03 0.32 0.51 1.03 -2.23 0.00 0.00 178.31 177.97 2khn h SER 89 N 0.46 0.86 0.61 0.41 0.87 -0.51 -1.30 113.55 114.95 2khn h SER 89 Ca 0.12 -0.01 -0.24 0.00 -1.23 0.00 0.00 61.79 60.43 2khn h SER 89 Cb 0.02 -0.20 -0.04 0.00 -0.44 0.00 0.00 62.40 61.74 2khn h SER 89 CO -0.02 0.61 -1.55 -0.29 -0.53 0.00 0.00 176.83 175.05 2khn h ILE 90 N 1.02 0.78 -0.45 2.23 2.10 -1.42 -3.34 117.51 118.42 2khn h ILE 90 Ca 0.31 -2.50 -0.07 0.00 1.08 0.00 0.00 64.86 63.68 2khn h ILE 90 Cb -0.03 2.32 -0.02 0.00 -1.09 0.00 0.00 36.82 37.99 2khn h ILE 90 CO -0.10 0.44 -0.00 0.00 -1.08 0.00 0.00 178.15 177.42 2khn h ALA 91 N 1.15 1.15 0.00 0.18 0.00 -0.58 -1.60 119.26 119.55 2khn h ALA 91 Ca -0.22 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.39 2khn h ALA 91 Cb 1.85 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.45 2khn h ALA 91 CO 0.07 0.55 -0.22 1.98 0.00 0.00 0.00 179.25 181.63 2khn h MET 92 N 0.70 0.00 0.01 0.00 1.85 -1.36 -2.87 114.93 113.25 2khn h MET 92 Ca 0.14 0.00 -0.26 0.00 -0.61 0.00 0.00 59.70 58.97 2khn h MET 92 Cb 0.43 0.00 -0.04 0.00 0.43 0.00 0.00 31.60 32.42 2khn h MET 92 CO 0.02 0.22 -1.42 -0.22 -0.40 0.00 0.00 176.91 175.11 2khn h LYS 93 N 0.00 0.02 -0.86 0.39 3.11 -1.50 -3.31 116.57 114.42 2khn h LYS 93 Ca -0.00 -0.03 -0.03 0.00 -2.81 0.00 0.00 60.65 57.78 2khn h LYS 93 Cb 0.40 0.01 -0.04 0.00 -1.00 0.00 0.00 32.23 31.60 2khn h LYS 93 CO 0.03 0.74 0.43 -0.07 -2.81 0.00 0.00 179.45 177.77 2khn h LEU 94 N 0.01 1.10 -0.72 5.20 4.07 -1.09 -2.97 115.31 120.90 2khn h LEU 94 Ca -0.18 -0.12 0.09 0.00 0.08 0.00 0.00 57.88 57.76 2khn h LEU 94 Cb 1.92 -0.28 -0.07 0.00 1.08 0.00 0.00 40.66 43.31 2khn h LEU 94 CO 0.10 0.91 0.37 0.40 -1.08 0.00 0.00 178.44 179.14 2khn h ILE 95 N 1.21 0.87 -0.51 1.22 2.04 -1.63 0.29 117.51 121.00 2khn h ILE 95 Ca 0.30 -0.22 0.05 0.00 1.00 0.00 0.00 64.86 65.99 2khn h ILE 95 Cb 0.08 0.18 -0.05 0.00 -0.74 0.00 0.00 36.82 36.29 2khn h ILE 95 CO -0.04 0.12 0.24 0.50 0.00 0.00 0.00 178.15 178.96 2khn h LYS 96 N 0.63 0.45 0.09 2.37 3.64 -1.67 -0.38 116.57 121.70 2khn h LYS 96 Ca 0.35 -0.03 -0.26 0.00 -1.27 0.00 0.00 60.65 59.45 2khn h LYS 96 Cb 0.35 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 2khn h LYS 96 CO -0.26 0.30 -1.19 -0.07 -2.27 0.00 0.00 179.45 175.97 2khn h LEU 97 N 0.47 0.30 -0.86 5.20 -0.00 -1.41 -3.19 115.31 115.82 2khn h LEU 97 Ca 0.23 -0.32 -0.04 0.00 -0.00 0.00 0.00 57.88 57.74 2khn h LEU 97 Cb 0.17 -0.10 -0.03 0.00 -0.00 0.00 0.00 40.66 40.70 2khn h LEU 97 CO -0.18 1.25 0.30 0.11 -0.00 0.00 0.00 178.44 179.93 2khn h LYS 98 N 0.05 1.14 0.00 1.13 1.79 -0.09 -1.06 116.57 119.54 2khn h LYS 98 Ca -0.10 -0.20 -0.04 0.00 -2.18 0.00 0.00 60.65 58.12 2khn h LYS 98 Cb 1.92 -0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 32.37 2khn h LYS 98 CO 0.18 0.93 -0.21 -0.07 -1.08 0.00 0.00 179.45 179.20 2khn h LEU 99 N 1.11 0.00 -0.08 2.94 3.38 -1.12 -1.76 115.31 119.78 2khn h LEU 99 Ca 0.26 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.10 2khn h LEU 99 Cb 0.21 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2khn h LEU 99 CO -0.02 0.21 -0.60 1.56 0.09 0.00 0.00 178.44 179.68 2khn h GLN 100 N 0.00 0.00 -0.02 1.13 4.20 -1.33 -3.48 115.11 115.60 2khn h GLN 100 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2khn h GLN 100 Cb 0.42 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.20 2khn h GLN 100 CO 0.03 0.60 0.00 0.41 -0.67 0.00 0.00 178.83 179.19 2khn n GLY 101 N 1.17 0.83 3.93 3.46 0.00 -0.48 -5.11 105.19 108.99 2khn n GLY 101 Ca 0.01 -0.01 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.68 2.94 -0.01 1.61 1.13 -1.13 -5.05 117.35 115.15 2khn s TYR 102 Ca 0.00 0.41 -0.01 0.00 -1.41 0.00 0.00 57.07 56.07 2khn s TYR 102 Cb 0.00 -3.10 0.01 0.00 -1.10 0.00 0.00 41.96 37.77 2khn s TYR 102 CO 0.00 -1.30 0.03 1.14 -2.51 0.00 0.00 175.55 172.91 2khn s GLN 103 N -5.17 0.01 -0.17 -3.49 -2.07 -1.26 -4.87 119.66 102.64 2khn s GLN 103 Ca 0.59 0.09 -0.29 0.00 -1.82 0.00 0.00 55.36 53.94 2khn s GLN 103 Cb -0.11 -0.06 0.11 0.00 -1.09 0.00 0.00 33.01 31.86 2khn s GLN 103 CO 0.44 -0.05 0.91 -1.17 -1.32 0.00 0.00 175.29 174.09 2khn s LEU 104 N 0.35 -0.49 1.24 2.60 2.96 -1.26 -5.18 118.68 118.91 2khn s LEU 104 Ca -0.03 0.67 -0.15 0.00 -0.22 0.00 0.00 54.13 54.40 2khn s LEU 104 Cb -0.04 2.08 0.30 0.00 0.50 0.00 0.00 46.19 49.03 2khn s LEU 104 CO -0.01 -0.36 0.87 -2.65 -1.32 0.00 0.00 176.35 172.89 2khn n PRO 105 N 1.27 -2.93 0.22 0.98 -0.02 -1.26 -4.88 135.00 128.37 2khn n PRO 105 Ca -0.13 -0.84 0.15 0.00 -2.02 0.00 0.00 63.50 60.66 2khn n PRO 105 Cb 0.57 -2.06 0.68 0.00 -0.02 0.00 0.00 33.50 32.67 2khn n PRO 105 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 2khn h SER 106 N -2.85 0.00 -3.17 2.55 0.02 -1.98 -3.38 113.55 104.73 2khn h SER 106 Ca -0.59 0.00 -0.64 0.00 -0.84 0.00 0.00 61.79 59.72 2khn h SER 106 Cb 1.33 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.73 2khn h SER 106 CO 0.44 0.00 0.38 0.00 -1.14 0.00 0.00 176.83 176.52 2khn s ALA 107 N -3.59 3.24 0.41 3.77 0.00 -1.26 -4.73 121.76 119.60 2khn s ALA 107 Ca 0.01 -1.47 -0.06 0.00 0.00 0.00 0.00 51.96 50.44 2khn s ALA 107 Cb 0.09 -3.61 -0.05 0.00 0.00 0.00 0.00 23.12 19.56 2khn s ALA 107 CO 0.42 -2.29 0.71 -0.51 0.00 0.00 0.00 175.76 174.09 2khn s LEU 108 N 3.49 3.80 0.71 0.00 1.43 -1.26 -5.05 118.68 121.80 2khn s LEU 108 Ca 0.24 0.88 -0.16 0.00 -1.03 0.00 0.00 54.13 54.06 2khn s LEU 108 Cb -0.15 -3.78 0.02 0.00 0.03 0.00 0.00 46.19 42.30 2khn s LEU 108 CO 0.16 -0.43 1.17 -2.65 0.23 0.00 0.00 176.35 174.82 2khn n PRO 109 N -1.73 0.67 0.04 1.29 -0.02 -1.26 -4.89 135.00 129.11 2khn n PRO 109 Ca -0.00 0.29 0.08 0.00 -2.02 0.00 0.00 63.50 61.86 2khn n PRO 109 Cb 0.55 -2.41 0.36 0.00 -0.02 0.00 0.00 33.50 31.98 2khn n PRO 109 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2khn n PRO 110 N -2.25 0.06 0.08 0.52 -0.02 -1.26 -2.83 135.00 129.29 2khn n PRO 110 Ca 0.14 0.31 -0.03 0.00 -2.02 0.00 0.00 63.50 61.91 2khn n PRO 110 Cb 0.49 -1.62 0.21 0.00 -0.02 0.00 0.00 33.50 32.56 2khn n PRO 110 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2khn h VAL 111 N 0.00 1.30 0.00 -1.45 2.07 -1.93 0.44 116.25 116.68 2khn h VAL 111 Ca 0.00 -1.48 -0.04 0.00 0.82 0.00 0.00 66.70 66.00 2khn h VAL 111 Cb 0.28 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 2khn h VAL 111 CO 0.00 0.45 -0.44 0.24 0.02 0.00 0.00 177.57 177.84 2khn h MET 112 N 0.25 0.00 0.00 1.57 2.86 -1.79 -3.33 114.93 114.49 2khn h MET 112 Ca 0.03 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.55 2khn h MET 112 Cb 0.80 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.44 2khn h MET 112 CO 0.06 0.14 -1.76 0.36 1.06 0.00 0.00 176.91 176.78 2khn n LYS 113 N -3.03 1.12 0.00 1.72 -0.00 -1.14 -4.87 118.16 111.97 2khn n LYS 113 Ca 0.02 -0.07 0.00 0.00 -0.00 0.00 0.00 58.31 58.26 2khn n LYS 113 Cb 0.61 -1.33 0.00 0.00 -0.00 0.00 0.00 35.03 34.31 2khn n LYS 113 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 2khn n GLN 114 N -2.22 0.00 -2.97 -1.58 1.13 0.15 -4.69 117.38 107.19 2khn n GLN 114 Ca -0.11 0.00 -0.35 0.00 -1.94 0.00 0.00 57.00 54.60 2khn n GLN 114 Cb 0.63 0.00 -0.06 0.00 0.11 0.00 0.00 30.24 30.92 2khn n GLN 114 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 2khn s GLN 115 N 0.00 4.27 0.40 -1.09 1.11 -1.26 -4.97 119.66 118.12 2khn s GLN 115 Ca 0.00 0.98 -0.27 0.00 0.01 0.00 0.00 55.36 56.08 2khn s GLN 115 Cb 0.00 -2.60 -0.10 0.00 -1.01 0.00 0.00 33.01 29.30 2khn s GLN 115 CO 0.00 0.22 1.44 -0.35 0.01 0.00 0.00 175.29 176.60 2khn n PRO 116 N 0.12 2.43 -2.09 2.91 -0.04 -1.26 -4.93 135.00 132.14 2khn n PRO 116 Ca 0.02 0.86 -0.41 0.00 -0.04 0.00 0.00 63.50 63.93 2khn n PRO 116 Cb 0.52 -2.60 -0.02 0.00 -0.04 0.00 0.00 33.50 31.36 2khn n PRO 116 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2khn s VAL 117 N -1.15 2.68 -0.25 0.52 1.01 -1.26 -4.23 120.40 117.72 2khn s VAL 117 Ca 0.57 0.67 -0.03 0.00 0.00 0.00 0.00 61.98 63.19 2khn s VAL 117 Cb -0.48 -3.43 0.01 0.00 0.00 0.00 0.00 36.38 32.48 2khn s VAL 117 CO 0.61 0.16 0.06 0.00 0.00 0.00 0.00 175.10 175.93 2khn n ALA 118 N 0.86 -3.50 -0.10 5.51 0.00 -1.26 -5.01 120.51 117.02 2khn n ALA 118 Ca 0.00 0.90 -0.23 0.00 0.00 0.00 0.00 53.44 54.11 2khn n ALA 118 Cb 0.42 -1.78 -0.12 0.00 0.00 0.00 0.00 19.45 17.97 2khn n ALA 118 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2khn n ILE 119 N 0.86 1.57 -2.90 0.00 -0.00 -1.26 -4.69 119.36 112.94 2khn n ILE 119 Ca -0.10 -0.21 -0.44 0.00 -0.00 0.00 0.00 62.75 62.01 2khn n ILE 119 Cb 0.15 -1.94 -0.03 0.00 -0.00 0.00 0.00 39.64 37.83 2khn n ILE 119 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.55 176.11 2khn s SER 120 N -7.00 6.63 0.00 4.38 0.01 -1.26 -5.20 113.70 111.26 2khn s SER 120 Ca -0.30 -2.02 0.00 0.00 1.31 0.00 0.00 55.95 54.94 2khn s SER 120 Cb 0.08 -2.41 0.00 0.00 0.21 0.00 0.00 66.02 63.90 2khn s SER 120 CO 0.60 -1.09 0.00 -1.20 0.41 0.00 0.00 173.24 171.96