#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 0.74 2.64 3.17 0.00 -1.26 -5.10 105.19 105.39 2khn n GLY 2 Ca 0.00 -0.69 -0.29 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.35 1.14 0.06 1.61 5.65 -1.26 -5.11 115.29 116.04 2khn s HIS 3 Ca 0.00 -1.43 -0.31 0.00 0.25 0.00 0.00 55.06 53.57 2khn s HIS 3 Cb 0.00 -1.37 -0.08 0.00 -1.18 0.00 0.00 32.58 29.95 2khn s HIS 3 CO 0.00 -0.85 1.62 -3.38 -0.65 0.00 0.00 174.74 171.47 2khn s HIS 4 N 1.73 2.50 -0.10 3.88 0.00 -1.26 -4.99 115.29 117.05 2khn s HIS 4 Ca 0.10 0.40 -0.01 0.00 -3.00 0.00 0.00 55.06 52.55 2khn s HIS 4 Cb -0.17 -3.92 0.03 0.00 -4.00 0.00 0.00 32.58 24.52 2khn s HIS 4 CO -0.27 -3.65 -0.01 -3.38 -1.00 0.00 0.00 174.74 166.43 2khn s HIS 5 N 2.56 0.85 -0.08 0.38 0.00 -1.26 -5.12 115.29 112.63 2khn s HIS 5 Ca 0.72 -0.36 -0.09 0.00 -3.00 0.00 0.00 55.06 52.33 2khn s HIS 5 Cb -0.39 -0.91 0.02 0.00 -4.00 0.00 0.00 32.58 27.31 2khn s HIS 5 CO 0.31 -0.40 0.24 -1.01 -1.00 0.00 0.00 174.74 172.89 2khn s HIS 6 N 1.91 -0.24 -0.29 0.38 0.09 -1.26 -5.13 115.29 110.75 2khn s HIS 6 Ca 0.04 0.56 -0.02 0.00 -0.00 0.00 0.00 55.06 55.64 2khn s HIS 6 Cb -0.13 0.08 0.04 0.00 -0.00 0.00 0.00 32.58 32.57 2khn s HIS 6 CO -0.06 -0.17 0.00 -3.38 -0.00 0.00 0.00 174.74 171.13 2khn s HIS 7 N -0.12 3.21 0.24 1.40 -0.00 -1.26 -5.10 115.29 113.66 2khn s HIS 7 Ca -0.02 -1.71 -0.18 0.00 -0.00 0.00 0.00 55.06 53.14 2khn s HIS 7 Cb -0.03 -2.12 -0.08 0.00 -0.00 0.00 0.00 32.58 30.35 2khn s HIS 7 CO 0.01 -0.77 0.72 -3.38 -0.00 0.00 0.00 174.74 171.32 2khn s HIS 8 N 1.30 3.59 -0.19 0.38 0.00 -1.26 -5.07 115.29 114.04 2khn s HIS 8 Ca -0.03 1.33 -0.09 0.00 -3.00 0.00 0.00 55.06 53.27 2khn s HIS 8 Cb -0.19 -2.59 0.07 0.00 -4.00 0.00 0.00 32.58 25.87 2khn s HIS 8 CO -0.01 0.29 0.44 0.45 -1.00 0.00 0.00 174.74 174.90 2khn s SER 9 N -1.79 -0.50 -0.40 7.38 0.15 -1.26 -5.07 113.70 112.21 2khn s SER 9 Ca 0.45 0.97 0.07 0.00 0.70 0.00 0.00 55.95 58.14 2khn s SER 9 Cb -0.15 0.96 0.23 0.00 -1.71 0.00 0.00 66.02 65.35 2khn s SER 9 CO 0.20 -0.21 0.52 1.57 1.20 0.00 0.00 173.24 176.53 2khn n HIS 10 N 4.53 -0.80 -3.32 3.44 -0.00 -1.26 -5.10 115.22 112.72 2khn n HIS 10 Ca -0.20 -3.32 -0.42 0.00 -0.00 0.00 0.00 57.72 53.79 2khn n HIS 10 Cb 0.54 -0.04 -0.09 0.00 -0.00 0.00 0.00 29.99 30.40 2khn n HIS 10 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2khn s MET 11 N -0.76 3.40 -0.30 1.57 0.00 -1.26 -5.01 119.30 116.94 2khn s MET 11 Ca 0.34 -0.47 -0.01 0.00 0.00 0.00 0.00 55.69 55.55 2khn s MET 11 Cb 0.15 -3.87 0.10 0.00 0.00 0.00 0.00 34.83 31.21 2khn s MET 11 CO -0.14 -0.69 0.10 0.00 0.00 0.00 0.00 175.02 174.29 2khn s ALA 12 N 2.19 1.41 -0.02 3.16 0.00 -1.26 -5.12 121.76 122.12 2khn s ALA 12 Ca 0.14 -1.56 0.02 0.00 0.00 0.00 0.00 51.96 50.56 2khn s ALA 12 Cb -0.16 -1.57 -0.03 0.00 0.00 0.00 0.00 23.12 21.35 2khn s ALA 12 CO 0.13 -1.64 -0.04 -0.65 0.00 0.00 0.00 175.76 173.56 2khn s GLN 13 N 1.68 2.69 -0.45 0.00 -0.21 -1.26 -5.08 119.66 117.03 2khn s GLN 13 Ca 0.09 -0.63 0.02 0.00 0.02 0.00 0.00 55.36 54.86 2khn s GLN 13 Cb -0.17 -2.59 0.13 0.00 1.00 0.00 0.00 33.01 31.38 2khn s GLN 13 CO -0.26 0.63 0.23 0.12 -2.12 0.00 0.00 175.29 173.89 2khn s PHE 14 N -0.98 2.32 0.25 0.91 5.36 -1.26 -5.11 117.98 119.47 2khn s PHE 14 Ca 0.17 -2.60 -0.30 0.00 -0.96 0.00 0.00 56.93 53.24 2khn s PHE 14 Cb -0.11 -2.14 -0.09 0.00 -0.34 0.00 0.00 43.02 40.33 2khn s PHE 14 CO 0.07 -0.78 1.07 -2.14 -1.46 0.00 0.00 175.22 171.97 2khn s PRO 15 N 0.28 4.67 0.22 10.12 0.02 -1.26 -5.02 135.00 144.03 2khn s PRO 15 Ca 0.17 1.72 -0.30 0.00 0.02 0.00 0.00 61.00 62.62 2khn s PRO 15 Cb -0.24 -3.23 -0.09 0.00 0.02 0.00 0.00 34.50 30.96 2khn s PRO 15 CO -0.01 0.24 1.12 0.95 -0.33 0.00 0.00 177.00 178.97 2khn s THR 16 N -0.97 3.65 1.11 0.99 -4.23 -1.26 -5.05 115.64 109.88 2khn s THR 16 Ca 0.45 1.51 -0.19 0.00 -1.18 0.00 0.00 61.69 62.29 2khn s THR 16 Cb -0.30 -3.96 0.28 0.00 1.34 0.00 0.00 72.50 69.85 2khn s THR 16 CO 0.38 0.30 0.82 -2.65 -0.54 0.00 0.00 174.62 172.93 2khn n PRO 17 N 1.86 -3.53 -4.86 3.99 -0.02 -1.26 -5.05 135.00 126.13 2khn n PRO 17 Ca 0.01 -1.33 -0.28 0.00 -2.02 0.00 0.00 63.50 59.88 2khn n PRO 17 Cb 0.45 -1.45 -0.17 0.00 -0.02 0.00 0.00 33.50 32.31 2khn n PRO 17 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 2khn s PHE 18 N -2.30 1.96 -0.46 6.00 0.08 -1.26 -5.02 117.98 116.97 2khn s PHE 18 Ca 0.57 -0.78 0.08 0.00 0.12 0.00 0.00 56.93 56.93 2khn s PHE 18 Cb -0.08 -1.36 0.38 0.00 -0.57 0.00 0.00 43.02 41.39 2khn s PHE 18 CO 0.46 -0.35 0.95 0.41 -0.10 0.00 0.00 175.22 176.59 2khn n GLY 19 N 3.69 4.73 3.51 4.36 0.00 -1.26 -5.02 105.19 115.21 2khn n GLY 19 Ca -0.21 -2.35 -0.44 0.00 0.00 0.00 0.00 46.02 43.03 2khn n GLY 19 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2khn s GLY 20 N -3.23 2.09 -0.98 -0.02 0.00 -1.26 -4.90 107.32 99.02 2khn s GLY 20 Ca 0.44 -3.16 -0.13 0.00 0.00 0.00 0.00 44.72 41.87 2khn s GLY 20 CO -0.12 2.31 1.03 -0.56 0.00 0.00 0.00 173.10 175.76 2khn s SER 21 N 3.41 6.95 0.00 1.64 0.01 -1.26 -4.96 113.70 119.48 2khn s SER 21 Ca 0.47 -2.88 0.00 0.00 1.31 0.00 0.00 55.95 54.85 2khn s SER 21 Cb -0.00 -2.27 0.00 0.00 0.21 0.00 0.00 66.02 63.95 2khn s SER 21 CO 0.02 -0.61 0.00 0.18 0.41 0.00 0.00 173.24 173.25 2khn n LEU 22 N 4.33 0.00 -3.09 2.44 4.32 -1.26 -5.04 117.00 118.70 2khn n LEU 22 Ca 0.22 0.00 -0.02 0.00 -0.02 0.00 0.00 56.01 56.18 2khn n LEU 22 Cb 0.45 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.25 2khn n LEU 22 CO 0.44 0.00 -0.48 -0.90 -1.22 0.00 0.00 177.39 175.24 2khn n ASP 23 N 0.00 -6.89 -0.08 -1.43 5.75 -1.26 -4.97 116.55 107.67 2khn n ASP 23 Ca 0.00 0.62 -0.09 0.00 -0.01 0.00 0.00 54.79 55.31 2khn n ASP 23 Cb 0.00 -2.57 -0.11 0.00 -1.03 0.00 0.00 41.12 37.41 2khn n ASP 23 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 2khn n THR 24 N 1.03 1.08 -0.56 2.12 -1.04 -1.26 -4.48 114.28 111.17 2khn n THR 24 Ca -0.00 -0.60 0.08 0.00 -2.04 0.00 0.00 64.05 61.49 2khn n THR 24 Cb 0.39 -0.74 0.27 0.00 -1.82 0.00 0.00 70.33 68.43 2khn n THR 24 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 2khn n TRP 25 N -2.70 1.03 -3.28 -1.42 7.02 -1.26 -4.93 117.44 111.88 2khn n TRP 25 Ca -0.28 -0.63 -0.20 0.00 -1.02 0.00 0.00 57.50 55.37 2khn n TRP 25 Cb 0.97 -0.18 0.01 0.00 -2.42 0.00 0.00 31.31 29.69 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 -1.78 4.43 -0.89 6.99 0.00 -1.26 -3.76 121.76 125.49 2khn s ALA 26 Ca 0.40 -1.81 -0.21 0.00 0.00 0.00 0.00 51.96 50.35 2khn s ALA 26 Cb 0.27 -1.30 0.09 0.00 0.00 0.00 0.00 23.12 22.18 2khn s ALA 26 CO 0.19 -0.43 1.18 0.42 0.00 0.00 0.00 175.76 177.11 2khn s ILE 27 N -2.52 4.41 0.82 0.00 1.01 -1.26 -4.98 121.20 118.68 2khn s ILE 27 Ca 0.52 -1.05 -0.11 0.00 0.00 0.00 0.00 60.65 60.01 2khn s ILE 27 Cb -0.06 -4.83 0.08 0.00 0.01 0.00 0.00 42.46 37.66 2khn s ILE 27 CO 0.32 -1.62 1.09 -0.89 0.00 0.00 0.00 174.94 173.84 2khn s THR 28 N 3.65 3.08 0.22 2.92 2.01 -1.26 -4.70 115.64 121.57 2khn s THR 28 Ca 0.34 0.35 -0.09 0.00 0.31 0.00 0.00 61.69 62.60 2khn s THR 28 Cb -0.06 -2.88 0.20 0.00 0.01 0.00 0.00 72.50 69.77 2khn s THR 28 CO -0.05 -0.46 1.68 0.58 -0.69 0.00 0.00 174.62 175.68 2khn h VAL 29 N -1.27 0.53 0.08 3.82 2.07 -1.98 0.68 116.25 120.18 2khn h VAL 29 Ca -0.46 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.00 2khn h VAL 29 Cb 1.25 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 2khn h VAL 29 CO 0.54 0.03 -0.07 -0.08 0.02 0.00 0.00 177.57 178.01 2khn h GLU 30 N 0.19 -0.16 -0.80 1.57 4.81 -1.99 -0.76 114.58 117.44 2khn h GLU 30 Ca 0.34 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.65 2khn h GLU 30 Cb 0.56 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.91 2khn h GLU 30 CO -0.49 -0.11 0.48 0.93 -0.73 0.00 0.00 179.01 179.09 2khn h GLU 31 N -0.17 0.84 -0.86 1.92 4.39 -1.62 0.47 114.58 119.56 2khn h GLU 31 Ca 0.00 -0.05 0.03 0.00 0.34 0.00 0.00 59.36 59.68 2khn h GLU 31 Cb 0.16 -0.19 -0.05 0.00 -0.10 0.00 0.00 28.75 28.57 2khn h GLU 31 CO -0.02 0.56 0.55 -0.09 -1.16 0.00 0.00 179.01 178.85 2khn h ARG 32 N 0.87 1.05 0.02 2.33 1.12 0.70 -2.07 114.38 118.39 2khn h ARG 32 Ca 0.36 -0.06 -0.21 0.00 -1.11 0.00 0.00 59.98 58.96 2khn h ARG 32 Cb 0.21 -0.24 -0.02 0.00 -0.01 0.00 0.00 29.97 29.92 2khn h ARG 32 CO -0.19 0.69 -0.96 0.00 -3.11 0.00 0.00 179.97 176.41 2khn h ALA 33 N 1.35 0.43 -0.95 2.80 0.00 -0.09 -3.33 119.26 119.47 2khn h ALA 33 Ca 0.34 -0.81 0.03 0.00 0.00 0.00 0.00 54.91 54.47 2khn h ALA 33 Cb 0.00 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 2khn h ALA 33 CO -0.11 1.06 0.62 0.87 0.00 0.00 0.00 179.25 181.69 2khn h LYS 34 N 0.04 1.18 -0.43 0.00 1.79 0.62 -2.76 116.57 117.01 2khn h LYS 34 Ca -0.04 -0.07 0.07 0.00 -2.18 0.00 0.00 60.65 58.43 2khn h LYS 34 Cb 1.65 -0.27 -0.02 0.00 -1.58 0.00 0.00 32.23 32.01 2khn h LYS 34 CO 0.14 0.78 0.29 1.12 -1.08 0.00 0.00 179.45 180.70 2khn h HIS 35 N 1.22 0.29 -0.04 -1.35 2.07 -1.63 -0.85 115.15 114.86 2khn h HIS 35 Ca 0.37 0.01 -0.01 0.00 -2.85 0.00 0.00 60.37 57.89 2khn h HIS 35 Cb -0.04 -0.10 -0.00 0.00 2.57 0.00 0.00 27.41 29.85 2khn h HIS 35 CO -0.01 0.15 -0.00 0.22 -3.07 0.00 0.00 177.93 175.23 2khn h ASP 36 N 0.29 0.08 0.58 3.10 3.58 -1.71 -0.93 116.42 121.40 2khn h ASP 36 Ca 0.19 -0.31 -0.16 0.00 0.42 0.00 0.00 57.03 57.17 2khn h ASP 36 Cb 0.39 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.40 2khn h ASP 36 CO -0.04 0.37 -0.71 1.56 -2.88 0.00 0.00 179.24 177.54 2khn h GLN 37 N -0.22 0.11 -0.66 0.28 4.20 -1.47 0.45 115.11 117.80 2khn h GLN 37 Ca 0.01 -0.09 -0.07 0.00 0.06 0.00 0.00 58.65 58.56 2khn h GLN 37 Cb 0.33 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.10 2khn h GLN 37 CO 0.00 0.77 0.13 1.96 -0.67 0.00 0.00 178.83 181.02 2khn h GLN 38 N 0.07 1.07 -0.31 1.46 1.08 -1.16 0.09 115.11 117.40 2khn h GLN 38 Ca -0.01 -0.27 -0.10 0.00 -1.45 0.00 0.00 58.65 56.81 2khn h GLN 38 Cb 1.25 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 28.53 2khn h GLN 38 CO 0.10 0.97 -0.23 0.35 -0.95 0.00 0.00 178.83 179.07 2khn h PHE 39 N 0.99 0.68 -0.62 2.96 3.57 -0.78 -0.22 116.94 123.52 2khn h PHE 39 Ca 0.20 -0.15 -0.05 0.00 3.53 0.00 0.00 57.97 61.51 2khn h PHE 39 Cb 0.40 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.95 2khn h PHE 39 CO 0.03 0.79 0.20 1.25 -2.23 0.00 0.00 178.31 178.35 2khn h HIS 40 N 0.53 0.98 0.00 0.41 2.76 -0.57 -2.44 115.15 116.83 2khn h HIS 40 Ca 0.08 -0.09 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 2khn h HIS 40 Cb 0.68 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 29.36 2khn h HIS 40 CO 0.03 0.80 0.00 1.03 -1.30 0.00 0.00 177.93 178.49 2khn h SER 41 N 0.87 0.00 0.46 3.26 0.87 -0.61 -2.77 113.55 115.63 2khn h SER 41 Ca 0.20 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.75 2khn h SER 41 Cb 0.27 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.23 2khn h SER 41 CO -0.01 0.00 -0.02 0.25 -0.53 0.00 0.00 176.83 176.52 2khn h LEU 42 N 0.00 0.00 -2.58 2.23 6.46 -0.53 -3.47 115.31 117.42 2khn h LEU 42 Ca 0.00 0.00 -0.06 0.00 -0.12 0.00 0.00 57.88 57.70 2khn h LEU 42 Cb 0.68 0.00 0.04 0.00 -0.73 0.00 0.00 40.66 40.66 2khn h LEU 42 CO 0.00 0.02 -0.19 0.29 -0.62 0.00 0.00 178.44 177.94 2khn n LYS 43 N -3.20 -1.12 -2.21 1.25 5.02 -1.05 -4.88 118.16 111.97 2khn n LYS 43 Ca -0.01 1.00 -0.41 0.00 -2.02 0.00 0.00 58.31 56.86 2khn n LYS 43 Cb 0.19 -4.47 -0.03 0.00 -0.02 0.00 0.00 35.03 30.71 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 -3.31 4.38 -0.03 1.97 0.04 -1.26 -4.97 135.00 131.81 2khn s PRO 44 Ca 0.10 2.06 -0.03 0.00 0.04 0.00 0.00 61.00 63.18 2khn s PRO 44 Cb -0.01 -3.20 -0.02 0.00 0.04 0.00 0.00 34.50 31.31 2khn s PRO 44 CO 0.52 -0.28 0.21 0.82 0.04 0.00 0.00 177.00 178.30 2khn h ILE 45 N 3.81 0.00 -0.65 0.56 2.04 -1.85 -3.36 117.51 118.06 2khn h ILE 45 Ca -0.44 -0.36 -0.14 0.00 1.00 0.00 0.00 64.86 64.92 2khn h ILE 45 Cb 1.21 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 37.21 2khn h ILE 45 CO 0.78 0.00 0.17 -1.54 0.00 0.00 0.00 178.15 177.56 2khn n SER 46 N -3.25 4.99 0.00 1.72 3.41 -1.26 -4.82 113.62 114.41 2khn n SER 46 Ca -0.01 -3.15 0.00 0.00 -0.26 0.00 0.00 58.87 55.45 2khn n SER 46 Cb 0.04 -0.71 0.00 0.00 -0.26 0.00 0.00 64.21 63.27 2khn n SER 46 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2khn n GLY 47 N 0.02 0.76 3.48 5.00 0.00 -1.26 -5.04 105.19 108.15 2khn n GLY 47 Ca 0.36 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.15 2khn n GLY 47 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2khn s PHE 48 N -2.57 2.08 0.29 1.61 0.08 -1.26 -4.98 117.98 113.23 2khn s PHE 48 Ca 0.00 -0.88 0.02 0.00 0.12 0.00 0.00 56.93 56.19 2khn s PHE 48 Cb 0.00 -1.37 -0.01 0.00 -0.57 0.00 0.00 43.02 41.07 2khn s PHE 48 CO 0.00 0.12 0.08 0.44 -0.10 0.00 0.00 175.22 175.76 2khn n ILE 49 N -0.74 0.00 -3.95 0.64 -0.00 -1.26 -2.39 119.36 111.66 2khn n ILE 49 Ca -0.03 -1.64 -0.12 0.00 -0.00 0.00 0.00 62.75 60.96 2khn n ILE 49 Cb 0.66 0.55 -0.02 0.00 -0.00 0.00 0.00 39.64 40.83 2khn n ILE 49 CO 0.00 0.00 0.00 1.07 -0.00 0.00 0.00 176.55 177.62 2khn n THR 50 N -0.67 0.00 -0.12 7.28 5.66 -1.26 -4.90 114.28 120.26 2khn n THR 50 Ca -0.06 -1.41 -0.08 0.00 -3.05 0.00 0.00 64.05 59.45 2khn n THR 50 Cb 0.43 0.89 0.00 0.00 -1.55 0.00 0.00 70.33 70.10 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 1.62 0.55 1.40 1.09 0.00 -1.64 -0.91 103.07 105.17 2khn h GLY 51 Ca -0.23 -0.19 -0.04 0.00 0.00 0.00 0.00 47.33 46.87 2khn h GLY 51 CO 0.31 0.18 0.13 -1.80 0.00 0.00 0.00 176.54 175.36 2khn h ASP 52 N 0.50 0.70 -0.25 0.19 3.58 -1.92 0.27 116.42 119.49 2khn h ASP 52 Ca 0.15 -0.11 -0.03 0.00 0.42 0.00 0.00 57.03 57.46 2khn h ASP 52 Cb -0.03 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 40.83 2khn h ASP 52 CO -0.05 0.69 0.05 1.56 -2.88 0.00 0.00 179.24 178.61 2khn h GLN 53 N 0.74 0.41 -0.59 0.28 1.08 -1.81 -1.03 115.11 114.18 2khn h GLN 53 Ca 0.17 -0.11 -0.01 0.00 -1.45 0.00 0.00 58.65 57.26 2khn h GLN 53 Cb 0.26 -0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 27.61 2khn h GLN 53 CO -0.00 0.53 0.35 0.00 -0.95 0.00 0.00 178.83 178.75 2khn h ALA 54 N 0.87 0.75 -0.85 3.87 0.00 -0.84 0.09 119.26 123.16 2khn h ALA 54 Ca 0.08 -0.08 0.14 0.00 0.00 0.00 0.00 54.91 55.05 2khn h ALA 54 Cb 0.31 -0.24 -0.09 0.00 0.00 0.00 0.00 17.79 17.77 2khn h ALA 54 CO 0.00 0.24 0.44 -0.09 0.00 0.00 0.00 179.25 179.85 2khn h ARG 55 N 0.80 0.63 -0.00 0.00 2.43 -0.18 0.29 114.38 118.34 2khn h ARG 55 Ca 0.21 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.31 2khn h ARG 55 Cb -0.00 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.41 2khn h ARG 55 CO -0.04 0.42 -0.14 -0.91 -1.51 0.00 0.00 179.97 177.79 2khn h ASN 56 N 0.65 0.12 -0.35 -3.80 2.35 -0.84 -3.11 115.58 110.60 2khn h ASN 56 Ca 0.46 -0.78 0.03 0.00 -0.55 0.00 0.00 56.30 55.45 2khn h ASN 56 Cb 0.62 -0.04 -0.03 0.00 0.05 0.00 0.00 38.32 38.92 2khn h ASN 56 CO -0.35 0.89 0.17 0.15 -1.65 0.00 0.00 177.43 176.64 2khn h PHE 57 N -0.63 0.32 -0.78 1.19 3.57 -0.54 0.17 116.94 120.24 2khn h PHE 57 Ca -0.02 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.51 2khn h PHE 57 Cb 0.91 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 39.52 2khn h PHE 57 CO 0.19 0.17 0.51 0.74 -2.23 0.00 0.00 178.31 177.69 2khn h PHE 58 N 0.36 0.97 -0.16 0.41 -1.00 -0.57 -0.88 116.94 116.08 2khn h PHE 58 Ca 0.15 0.02 -0.15 0.00 2.81 0.00 0.00 57.97 60.80 2khn h PHE 58 Cb 0.06 -0.33 -0.01 0.00 3.61 0.00 0.00 35.95 39.29 2khn h PHE 58 CO -0.10 0.60 -0.53 0.35 -1.61 0.00 0.00 178.31 177.02 2khn h PHE 59 N 1.04 0.55 0.00 -0.55 3.57 -1.38 -2.67 116.94 117.50 2khn h PHE 59 Ca 0.29 -0.19 -0.02 0.00 3.53 0.00 0.00 57.97 61.58 2khn h PHE 59 Cb -0.09 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 38.54 2khn h PHE 59 CO -0.02 0.88 -0.10 0.37 -2.23 0.00 0.00 178.31 177.20 2khn h GLN 60 N 0.34 0.00 0.00 1.11 -0.00 0.08 -2.44 115.11 114.21 2khn h GLN 60 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.66 2khn h GLN 60 Cb 1.04 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.52 2khn h GLN 60 CO 0.09 0.10 0.00 0.77 0.00 0.00 0.00 178.83 179.80 2khn h SER 61 N 0.00 0.00 0.00 -0.69 0.02 -0.82 -3.46 113.55 108.60 2khn h SER 61 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2khn h SER 61 Cb 0.50 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.04 2khn h SER 61 CO 0.01 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.31 2khn n GLY 62 N 0.04 1.32 3.57 -3.77 0.00 -0.92 -5.08 105.19 100.35 2khn n GLY 62 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 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 3.09 0.67 0.99 1.43 -1.25 -5.05 118.68 118.56 2khn s LEU 63 Ca 0.00 -0.17 -0.16 0.00 -1.03 0.00 0.00 54.13 52.77 2khn s LEU 63 Cb 0.00 -1.76 0.01 0.00 0.03 0.00 0.00 46.19 44.46 2khn s LEU 63 CO 0.00 0.29 1.17 -2.84 0.23 0.00 0.00 176.35 175.19 2khn s PRO 64 N -1.34 2.59 0.17 1.29 0.02 -1.26 -4.54 135.00 131.93 2khn s PRO 64 Ca 0.16 1.62 -0.14 0.00 0.02 0.00 0.00 61.00 62.66 2khn s PRO 64 Cb -0.11 -1.90 0.11 0.00 0.02 0.00 0.00 34.50 32.62 2khn s PRO 64 CO 0.06 -1.46 1.77 0.37 -0.33 0.00 0.00 177.00 177.42 2khn h GLN 65 N 0.11 0.40 -0.11 5.54 4.15 -1.98 0.19 115.11 123.41 2khn h GLN 65 Ca -0.48 -0.02 0.03 0.00 0.77 0.00 0.00 58.65 58.95 2khn h GLN 65 Cb 1.28 -0.09 -0.00 0.00 0.21 0.00 0.00 27.48 28.87 2khn h GLN 65 CO 0.53 0.27 0.15 -1.00 -1.93 0.00 0.00 178.83 176.85 2khn h PRO 66 N 0.41 0.00 0.22 -2.39 0.13 -2.00 0.23 132.00 128.61 2khn h PRO 66 Ca 0.20 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 65.01 2khn h PRO 66 Cb 0.14 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.30 2khn h PRO 66 CO -0.16 0.00 -1.47 0.28 -0.23 0.00 0.00 178.00 176.42 2khn h VAL 67 N 0.00 1.29 0.05 1.56 2.07 -1.39 -3.27 116.25 116.56 2khn h VAL 67 Ca 0.05 -2.76 -0.00 0.00 0.82 0.00 0.00 66.70 64.81 2khn h VAL 67 Cb 0.36 3.00 0.00 0.00 -1.52 0.00 0.00 31.29 33.13 2khn h VAL 67 CO -0.00 0.83 -0.02 -0.07 0.02 0.00 0.00 177.57 178.33 2khn h LEU 68 N 0.13 -0.06 -1.33 2.57 3.38 0.43 -2.86 115.31 117.58 2khn h LEU 68 Ca -0.24 -0.15 0.13 0.00 0.09 0.00 0.00 57.88 57.70 2khn h LEU 68 Cb 2.13 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 42.83 2khn h LEU 68 CO 0.25 0.12 0.55 0.00 0.09 0.00 0.00 178.44 179.45 2khn h ALA 69 N 0.71 1.82 -0.40 1.53 0.00 -1.17 0.78 119.26 122.53 2khn h ALA 69 Ca -0.01 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 2khn h ALA 69 Cb 0.20 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2khn h ALA 69 CO 0.01 -0.04 -0.20 1.96 0.00 0.00 0.00 179.25 180.99 2khn h GLN 70 N 0.69 0.78 -0.11 0.00 1.08 -1.57 0.32 115.11 116.30 2khn h GLN 70 Ca 0.41 -0.30 -0.04 0.00 -1.45 0.00 0.00 58.65 57.27 2khn h GLN 70 Cb 0.63 -0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 28.02 2khn h GLN 70 CO -0.18 0.92 -0.09 0.82 -0.95 0.00 0.00 178.83 179.35 2khn h ILE 71 N 0.69 1.35 -0.58 2.54 2.04 -0.86 -3.10 117.51 119.58 2khn h ILE 71 Ca 0.10 -1.22 -0.02 0.00 1.00 0.00 0.00 64.86 64.72 2khn h ILE 71 Cb 0.71 1.93 -0.03 0.00 -0.74 0.00 0.00 36.82 38.68 2khn h ILE 71 CO 0.05 0.35 0.30 -0.25 0.00 0.00 0.00 178.15 178.60 2khn h TRP 72 N -0.14 0.82 -0.21 1.37 7.01 -0.82 0.17 115.95 124.15 2khn h TRP 72 Ca 0.02 -0.03 -0.01 0.00 2.11 0.00 0.00 58.89 60.98 2khn h TRP 72 Cb 0.60 -0.26 -0.01 0.00 -2.10 0.00 0.00 29.16 27.39 2khn h TRP 72 CO 0.08 0.62 0.08 0.00 -2.79 0.00 0.00 178.44 176.43 2khn h ALA 73 N 1.13 1.76 0.03 2.65 0.00 -0.98 -1.58 119.26 122.26 2khn h ALA 73 Ca 0.20 -0.06 -0.26 0.00 0.00 0.00 0.00 54.91 54.79 2khn h ALA 73 Cb 0.09 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2khn h ALA 73 CO -0.03 0.20 -1.38 -0.07 0.00 0.00 0.00 179.25 177.97 2khn h LEU 74 N 0.29 0.09 0.75 0.00 3.38 -1.37 -3.41 115.31 115.04 2khn h LEU 74 Ca 0.07 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 2khn h LEU 74 Cb 0.06 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 40.79 2khn h LEU 74 CO -0.01 1.11 -0.36 0.00 0.09 0.00 0.00 178.44 179.27 2khn h ALA 75 N 0.88 -1.01 -1.23 1.53 0.00 0.35 -3.37 119.26 116.42 2khn h ALA 75 Ca -0.16 -0.23 -0.54 0.00 0.00 0.00 0.00 54.91 53.98 2khn h ALA 75 Cb 1.91 0.39 -0.08 0.00 0.00 0.00 0.00 17.79 20.01 2khn h ALA 75 CO 0.12 -0.97 1.22 0.16 0.00 0.00 0.00 179.25 179.79 2khn s ASP 76 N -4.39 6.11 0.51 0.00 -4.77 -1.07 -4.67 116.67 108.39 2khn s ASP 76 Ca -0.16 -0.76 0.16 0.00 -3.30 0.00 0.00 52.55 48.49 2khn s ASP 76 Cb 0.02 -2.56 1.25 0.00 -1.09 0.00 0.00 42.92 40.54 2khn s ASP 76 CO 0.50 -1.85 2.14 0.24 0.70 0.00 0.00 175.17 176.89 2khn h MET 77 N 10.56 0.03 0.00 2.11 2.86 -1.90 0.33 114.93 128.93 2khn h MET 77 Ca -0.07 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 2khn h MET 77 Cb 1.04 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.70 2khn h MET 77 CO 1.32 0.02 -0.29 0.27 1.06 0.00 0.00 176.91 179.29 2khn n ASN 78 N -4.53 0.45 -3.70 1.22 6.94 -1.26 -4.97 115.26 109.40 2khn n ASN 78 Ca -0.02 0.20 -0.30 0.00 -0.02 0.00 0.00 54.58 54.44 2khn n ASN 78 Cb 0.10 -0.18 0.03 0.00 -2.36 0.00 0.00 39.78 37.38 2khn n ASN 78 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 2khn n ASN 79 N -1.77 -5.32 -0.01 0.53 4.05 0.11 -4.91 115.26 107.94 2khn n ASN 79 Ca 0.05 -0.96 0.10 0.00 0.45 0.00 0.00 54.58 54.23 2khn n ASN 79 Cb 0.38 -3.00 -0.15 0.00 1.23 0.00 0.00 39.78 38.23 2khn n ASN 79 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 177.26 173.31 2khn n ASP 80 N -2.48 0.33 0.00 1.20 5.75 -1.26 -4.98 116.55 115.10 2khn n ASP 80 Ca -0.12 -0.24 0.00 0.00 -0.01 0.00 0.00 54.79 54.41 2khn n ASP 80 Cb 0.59 1.73 0.00 0.00 -1.03 0.00 0.00 41.12 42.42 2khn n ASP 80 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2khn n GLY 81 N 1.34 0.75 0.17 6.12 0.00 -1.26 -4.87 105.19 107.43 2khn n GLY 81 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.18 0.00 -0.99 1.61 3.00 -1.26 -3.56 116.66 113.27 2khn n ARG 82 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 2khn n ARG 82 Cb 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 32.46 31.57 2khn n ARG 82 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.63 176.30 2khn n MET 83 N -2.53 -2.79 -2.62 5.56 2.81 -1.26 -3.74 117.12 112.54 2khn n MET 83 Ca 0.00 2.02 -0.18 0.00 -1.81 0.00 0.00 57.70 57.72 2khn n MET 83 Cb 0.47 -2.22 0.08 0.00 -0.71 0.00 0.00 33.22 30.83 2khn n MET 83 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2khn n ASP 84 N -0.03 1.66 0.28 7.83 2.03 -1.26 -4.68 116.55 122.37 2khn n ASP 84 Ca 0.00 -2.25 0.13 0.00 0.52 0.00 0.00 54.79 53.19 2khn n ASP 84 Cb 0.00 -0.44 0.80 0.00 -0.72 0.00 0.00 41.12 40.75 2khn n ASP 84 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 2khn h GLN 85 N 0.00 0.00 0.28 -0.67 7.50 -1.97 0.11 115.11 120.36 2khn h GLN 85 Ca -0.26 0.00 -0.01 0.00 0.50 0.00 0.00 58.65 58.88 2khn h GLN 85 Cb 1.10 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.64 2khn h GLN 85 CO 0.34 0.06 -0.14 0.28 -1.50 0.00 0.00 178.83 177.87 2khn h VAL 86 N 0.00 0.74 -0.17 -0.54 2.07 -1.99 0.32 116.25 116.68 2khn h VAL 86 Ca -0.00 -0.56 -0.06 0.00 0.82 0.00 0.00 66.70 66.90 2khn h VAL 86 Cb 0.16 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 2khn h VAL 86 CO 0.01 0.11 -0.18 -0.33 0.02 0.00 0.00 177.57 177.20 2khn h GLU 87 N -0.69 0.28 -0.03 1.57 3.07 -1.68 -1.95 114.58 115.15 2khn h GLU 87 Ca -0.04 -0.08 -0.12 0.00 -0.50 0.00 0.00 59.36 58.62 2khn h GLU 87 Cb 0.48 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.34 2khn h GLU 87 CO 0.06 0.46 -0.52 0.35 -1.40 0.00 0.00 179.01 177.96 2khn h PHE 88 N 0.26 0.11 0.00 4.33 3.57 -0.76 -1.74 116.94 122.72 2khn h PHE 88 Ca 0.05 -0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.48 2khn h PHE 88 Cb 0.47 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.19 2khn h PHE 88 CO 0.01 0.60 -0.14 1.03 -2.23 0.00 0.00 178.31 177.57 2khn h SER 89 N 0.07 0.00 0.29 0.41 0.87 -0.11 -0.91 113.55 114.17 2khn h SER 89 Ca -0.00 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.43 2khn h SER 89 Cb 0.95 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.89 2khn h SER 89 CO 0.07 0.14 -1.83 0.00 -0.53 0.00 0.00 176.83 174.68 2khn n ILE 90 N -3.91 0.68 -0.02 2.23 3.06 -1.14 -4.32 119.36 115.93 2khn n ILE 90 Ca -0.02 -0.63 -0.10 0.00 -2.50 0.00 0.00 62.75 59.50 2khn n ILE 90 Cb 0.23 -0.32 0.05 0.00 0.54 0.00 0.00 39.64 40.15 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 1.63 0.71 0.00 1.51 0.00 -0.43 -3.05 119.26 119.63 2khn h ALA 91 Ca -0.17 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.24 2khn h ALA 91 Cb 1.43 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 2khn h ALA 91 CO 0.02 0.68 -0.10 0.00 0.00 0.00 0.00 179.25 179.85 2khn h MET 92 N 0.49 0.00 -0.39 0.00 -0.00 -1.39 -1.69 114.93 111.96 2khn h MET 92 Ca 0.02 0.00 -0.09 0.00 -0.00 0.00 0.00 59.70 59.63 2khn h MET 92 Cb 1.04 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.62 2khn h MET 92 CO 0.10 0.10 -0.10 -0.22 -0.00 0.00 0.00 176.91 176.78 2khn h LYS 93 N 0.00 0.75 -0.29 -0.10 3.11 -1.75 -2.16 116.57 116.13 2khn h LYS 93 Ca -0.00 -0.29 -0.14 0.00 -2.81 0.00 0.00 60.65 57.40 2khn h LYS 93 Cb 0.19 -0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 31.37 2khn h LYS 93 CO 0.01 0.90 -0.40 1.25 -2.81 0.00 0.00 179.45 178.40 2khn h LEU 94 N 0.56 0.75 -0.35 5.20 5.85 -1.40 -2.26 115.31 123.66 2khn h LEU 94 Ca 0.10 -0.34 0.01 0.00 0.84 0.00 0.00 57.88 58.49 2khn h LEU 94 Cb 0.63 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 2khn h LEU 94 CO 0.04 1.06 0.22 0.40 -0.34 0.00 0.00 178.44 179.82 2khn h ILE 95 N 0.58 1.06 -0.18 4.05 2.04 -1.22 0.14 117.51 123.97 2khn h ILE 95 Ca 0.05 -0.15 0.01 0.00 1.00 0.00 0.00 64.86 65.77 2khn h ILE 95 Cb 0.94 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 2khn h ILE 95 CO 0.09 0.08 0.09 0.50 0.00 0.00 0.00 178.15 178.91 2khn h LYS 96 N 0.45 0.19 -0.45 2.37 3.64 -1.26 0.25 116.57 121.75 2khn h LYS 96 Ca 0.14 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.42 2khn h LYS 96 Cb -0.02 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 2khn h LYS 96 CO -0.05 0.12 -0.04 -0.07 -2.27 0.00 0.00 179.45 177.15 2khn h LEU 97 N 0.19 0.82 -0.77 5.20 -0.00 -1.14 -2.83 115.31 116.78 2khn h LEU 97 Ca 0.07 -0.33 -0.10 0.00 -0.00 0.00 0.00 57.88 57.53 2khn h LEU 97 Cb 0.02 -0.22 -0.01 0.00 -0.00 0.00 0.00 40.66 40.44 2khn h LEU 97 CO -0.05 0.95 -0.46 0.11 -0.00 0.00 0.00 178.44 179.00 2khn h LYS 98 N 0.67 0.00 -0.13 1.13 1.57 -0.59 -1.57 116.57 117.66 2khn h LYS 98 Ca 0.12 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 2khn h LYS 98 Cb 0.56 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 2khn h LYS 98 CO 0.03 0.46 0.02 -0.07 -0.57 0.00 0.00 179.45 179.32 2khn h LEU 99 N 0.00 0.15 -0.42 2.94 3.38 -0.77 -2.02 115.31 118.58 2khn h LEU 99 Ca -0.00 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 2khn h LEU 99 Cb 1.02 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 2khn h LEU 99 CO 0.06 0.17 -0.43 1.56 0.09 0.00 0.00 178.44 179.90 2khn h GLN 100 N 0.18 0.00 0.00 1.13 4.20 -1.06 -3.47 115.11 116.08 2khn h GLN 100 Ca 0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.75 2khn h GLN 100 Cb 0.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.87 2khn h GLN 100 CO -0.00 0.43 0.00 0.41 -0.67 0.00 0.00 178.83 178.99 2khn n GLY 101 N 0.80 0.74 3.31 3.46 0.00 -0.76 -5.12 105.19 107.62 2khn n GLY 101 Ca 0.01 -0.26 -0.19 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.43 1.66 -0.04 1.61 2.02 -1.20 -5.01 117.35 115.95 2khn s TYR 102 Ca 0.00 -0.54 0.03 0.00 -0.37 0.00 0.00 57.07 56.19 2khn s TYR 102 Cb 0.00 -0.81 0.01 0.00 -0.40 0.00 0.00 41.96 40.75 2khn s TYR 102 CO 0.00 0.29 -0.12 -1.14 -1.57 0.00 0.00 175.55 173.01 2khn s GLN 103 N -3.13 1.40 0.03 -0.62 2.00 -1.26 -4.45 119.66 113.63 2khn s GLN 103 Ca 0.17 -0.41 0.04 0.00 -2.00 0.00 0.00 55.36 53.15 2khn s GLN 103 Cb -0.03 -1.23 -0.02 0.00 0.80 0.00 0.00 33.01 32.53 2khn s GLN 103 CO 0.06 0.12 -0.12 -0.51 -0.50 0.00 0.00 175.29 174.33 2khn s LEU 104 N 0.32 2.14 0.00 3.68 1.02 -1.26 -5.16 118.68 119.42 2khn s LEU 104 Ca -0.07 -0.39 0.00 0.00 0.02 0.00 0.00 54.13 53.69 2khn s LEU 104 Cb -0.12 -0.51 0.00 0.00 0.02 0.00 0.00 46.19 45.58 2khn s LEU 104 CO 0.02 0.02 0.00 -0.81 0.02 0.00 0.00 176.35 175.60 2khn n PRO 105 N 2.11 1.01 0.00 1.29 -0.04 -1.26 -4.94 135.00 133.17 2khn n PRO 105 Ca -0.17 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.39 2khn n PRO 105 Cb 0.55 0.00 0.59 0.00 -0.04 0.00 0.00 33.50 34.60 2khn n PRO 105 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2khn n SER 106 N -1.43 0.00 -4.50 3.54 7.64 -1.26 -4.34 113.62 113.27 2khn n SER 106 Ca 0.00 -0.58 -0.44 0.00 1.01 0.00 0.00 58.87 58.86 2khn n SER 106 Cb 0.00 -0.02 -0.01 0.00 -1.01 0.00 0.00 64.21 63.17 2khn n SER 106 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2khn s ALA 107 N -2.05 3.66 0.26 -0.43 0.00 -1.26 -5.00 121.76 116.94 2khn s ALA 107 Ca 0.29 -3.10 -0.30 0.00 0.00 0.00 0.00 51.96 48.86 2khn s ALA 107 Cb 0.14 -4.28 -0.09 0.00 0.00 0.00 0.00 23.12 18.89 2khn s ALA 107 CO 0.24 -2.99 1.06 -1.17 0.00 0.00 0.00 175.76 172.90 2khn s LEU 108 N 2.63 4.57 0.68 0.00 1.98 -1.26 -5.02 118.68 122.26 2khn s LEU 108 Ca 0.44 2.17 -0.17 0.00 -2.89 0.00 0.00 54.13 53.69 2khn s LEU 108 Cb -0.01 -3.62 0.01 0.00 0.66 0.00 0.00 46.19 43.23 2khn s LEU 108 CO 0.00 -0.08 1.23 -2.84 -1.89 0.00 0.00 176.35 172.77 2khn s PRO 109 N -1.25 2.42 0.21 0.98 0.02 -1.26 -4.93 135.00 131.19 2khn s PRO 109 Ca 0.44 1.86 0.26 0.00 0.02 0.00 0.00 61.00 63.58 2khn s PRO 109 Cb -0.30 -1.85 0.85 0.00 0.02 0.00 0.00 34.50 33.21 2khn s PRO 109 CO 0.38 -1.65 1.77 -0.35 -0.33 0.00 0.00 177.00 176.82 2khn n PRO 110 N -2.27 0.24 -0.01 5.54 -0.04 -1.26 -3.74 135.00 133.46 2khn n PRO 110 Ca 0.14 0.24 -0.18 0.00 -0.04 0.00 0.00 63.50 63.67 2khn n PRO 110 Cb 0.49 -1.81 -0.08 0.00 -0.04 0.00 0.00 33.50 32.07 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 1.30 -0.61 0.52 2.07 -1.91 0.29 116.25 117.92 2khn h VAL 111 Ca 0.00 -1.98 -0.01 0.00 0.82 0.00 0.00 66.70 65.53 2khn h VAL 111 Cb 0.67 2.10 -0.03 0.00 -1.52 0.00 0.00 31.29 32.51 2khn h VAL 111 CO 0.00 0.62 0.34 0.24 0.02 0.00 0.00 177.57 178.79 2khn h MET 112 N 0.41 0.84 0.00 1.57 2.86 -1.65 -2.70 114.93 116.26 2khn h MET 112 Ca -0.06 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.49 2khn h MET 112 Cb 1.40 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.89 2khn h MET 112 CO 0.15 0.63 -0.67 0.36 1.06 0.00 0.00 176.91 178.44 2khn n LYS 113 N -4.58 0.24 0.00 1.72 2.85 -1.22 -4.83 118.16 112.34 2khn n LYS 113 Ca 0.04 0.05 0.00 0.00 -1.05 0.00 0.00 58.31 57.36 2khn n LYS 113 Cb 0.08 -1.63 0.00 0.00 -0.65 0.00 0.00 35.03 32.82 2khn n LYS 113 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 2khn n GLN 114 N -1.97 0.00 -3.53 -1.58 6.02 0.10 -4.78 117.38 111.64 2khn n GLN 114 Ca 0.03 0.00 -0.24 0.00 -0.01 0.00 0.00 57.00 56.78 2khn n GLN 114 Cb 0.42 -1.79 -0.14 0.00 1.02 0.00 0.00 30.24 29.75 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 0.18 -0.13 -1.09 0.74 -1.23 -4.90 119.66 113.23 2khn s GLN 115 Ca 0.00 -0.20 -0.28 0.00 0.05 0.00 0.00 55.36 54.93 2khn s GLN 115 Cb 0.00 -1.27 -0.01 0.00 1.10 0.00 0.00 33.01 32.83 2khn s GLN 115 CO 0.00 -0.85 0.95 -1.25 -0.55 0.00 0.00 175.29 173.59 2khn s PRO 116 N 2.20 4.38 -0.41 1.67 0.04 -1.26 -4.99 135.00 136.63 2khn s PRO 116 Ca 0.07 1.27 -0.28 0.00 0.04 0.00 0.00 61.00 62.09 2khn s PRO 116 Cb -0.16 -3.55 -0.00 0.00 0.04 0.00 0.00 34.50 30.83 2khn s PRO 116 CO -0.24 -0.32 1.58 0.14 0.04 0.00 0.00 177.00 178.21 2khn s VAL 117 N 2.06 3.70 -1.19 -0.36 -7.23 -1.26 -4.91 120.40 111.21 2khn s VAL 117 Ca 0.45 0.69 -0.20 0.00 -1.81 0.00 0.00 61.98 61.11 2khn s VAL 117 Cb -0.18 -4.01 0.06 0.00 0.56 0.00 0.00 36.38 32.82 2khn s VAL 117 CO 0.16 -0.69 1.64 0.00 -0.31 0.00 0.00 175.10 175.90 2khn s ALA 118 N 6.26 3.08 -0.12 1.32 0.00 -1.26 -4.66 121.76 126.38 2khn s ALA 118 Ca 0.67 -2.66 -0.15 0.00 0.00 0.00 0.00 51.96 49.82 2khn s ALA 118 Cb -0.16 -4.61 -0.26 0.00 0.00 0.00 0.00 23.12 18.09 2khn s ALA 118 CO 0.31 -3.44 0.47 0.82 0.00 0.00 0.00 175.76 173.93 2khn h ILE 119 N 6.04 0.93 -3.51 0.00 2.04 -2.05 -3.42 117.51 117.53 2khn h ILE 119 Ca 0.35 -2.36 -0.63 0.00 1.00 0.00 0.00 64.86 63.22 2khn h ILE 119 Cb 0.92 2.61 -0.40 0.00 -0.74 0.00 0.00 36.82 39.21 2khn h ILE 119 CO 1.45 0.70 -0.74 -0.55 0.00 0.00 0.00 178.15 179.00 2khn s SER 120 N -7.01 4.45 0.00 1.72 0.15 -1.26 -5.36 113.70 106.39 2khn s SER 120 Ca -0.22 -1.90 0.00 0.00 0.70 0.00 0.00 55.95 54.54 2khn s SER 120 Cb 0.05 -1.34 0.00 0.00 -1.71 0.00 0.00 66.02 63.02 2khn s SER 120 CO 0.74 -0.38 0.00 -1.20 1.20 0.00 0.00 173.24 173.61