#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 2.55 3.36 3.03 0.00 -1.26 -5.11 105.19 107.76 2khn n GLY 2 Ca 0.00 0.24 -0.43 0.00 0.00 0.00 0.00 46.02 45.83 2khn n GLY 2 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2khn s HIS 3 N 0.00 3.27 0.32 1.61 0.09 -1.26 -5.05 115.29 114.27 2khn s HIS 3 Ca 0.00 -1.08 -0.29 0.00 -0.00 0.00 0.00 55.06 53.70 2khn s HIS 3 Cb 0.00 -3.07 -0.10 0.00 -0.00 0.00 0.00 32.58 29.41 2khn s HIS 3 CO 0.00 -0.80 1.21 -1.58 -0.00 0.00 0.00 174.74 173.57 2khn s HIS 4 N 1.58 3.26 -0.08 1.40 5.65 -1.26 -5.04 115.29 120.80 2khn s HIS 4 Ca 0.04 1.54 -0.00 0.00 0.25 0.00 0.00 55.06 56.89 2khn s HIS 4 Cb -0.24 -3.49 0.02 0.00 -1.18 0.00 0.00 32.58 27.70 2khn s HIS 4 CO 0.06 -1.28 -0.05 -3.38 -0.65 0.00 0.00 174.74 169.44 2khn s HIS 5 N -1.18 1.04 -0.27 3.88 0.00 -1.26 -5.12 115.29 112.37 2khn s HIS 5 Ca 0.48 -0.41 -0.17 0.00 -3.00 0.00 0.00 55.06 51.96 2khn s HIS 5 Cb -0.36 -0.95 -0.03 0.00 -4.00 0.00 0.00 32.58 27.25 2khn s HIS 5 CO 0.46 -0.36 0.49 -1.58 -1.00 0.00 0.00 174.74 172.76 2khn s HIS 6 N 1.54 3.26 0.06 0.38 5.65 -1.26 -5.05 115.29 119.87 2khn s HIS 6 Ca -0.00 0.58 -0.20 0.00 0.25 0.00 0.00 55.06 55.69 2khn s HIS 6 Cb -0.13 -2.71 -0.06 0.00 -1.18 0.00 0.00 32.58 28.50 2khn s HIS 6 CO -0.04 -0.29 0.61 -1.58 -0.65 0.00 0.00 174.74 172.79 2khn s HIS 7 N 2.28 3.78 0.01 3.88 5.65 -1.26 -5.08 115.29 124.55 2khn s HIS 7 Ca 0.20 1.30 0.04 0.00 0.25 0.00 0.00 55.06 56.85 2khn s HIS 7 Cb -0.16 -2.57 -0.01 0.00 -1.18 0.00 0.00 32.58 28.66 2khn s HIS 7 CO 0.09 0.50 -0.12 -1.01 -0.65 0.00 0.00 174.74 173.56 2khn s HIS 8 N -0.82 1.04 -0.05 3.88 0.09 -1.26 -5.15 115.29 113.02 2khn s HIS 8 Ca 0.31 -0.26 -0.30 0.00 -0.00 0.00 0.00 55.06 54.80 2khn s HIS 8 Cb -0.20 -0.65 0.08 0.00 -0.00 0.00 0.00 32.58 31.82 2khn s HIS 8 CO 0.19 -0.00 0.72 -1.12 -0.00 0.00 0.00 174.74 174.53 2khn s SER 9 N -0.65 -0.61 0.42 1.40 0.01 -1.26 -5.18 113.70 107.84 2khn s SER 9 Ca 0.02 0.60 0.04 0.00 1.31 0.00 0.00 55.95 57.92 2khn s SER 9 Cb -0.06 0.51 -0.02 0.00 0.21 0.00 0.00 66.02 66.66 2khn s SER 9 CO 0.00 -0.60 0.12 -1.00 0.41 0.00 0.00 173.24 172.18 2khn s HIS 10 N -1.42 1.79 -0.30 2.43 0.09 -1.26 -5.16 115.29 111.45 2khn s HIS 10 Ca -0.08 -1.28 -0.13 0.00 -0.00 0.00 0.00 55.06 53.57 2khn s HIS 10 Cb -0.00 -1.19 0.15 0.00 -0.00 0.00 0.00 32.58 31.54 2khn s HIS 10 CO 0.07 -0.28 0.85 0.00 -0.00 0.00 0.00 174.74 175.38 2khn s MET 11 N -3.70 0.40 -0.97 1.40 0.00 -1.26 -5.10 119.30 110.07 2khn s MET 11 Ca 0.21 1.01 -0.22 0.00 0.00 0.00 0.00 55.69 56.69 2khn s MET 11 Cb 0.02 0.61 0.07 0.00 0.00 0.00 0.00 34.83 35.53 2khn s MET 11 CO 0.14 -0.15 1.34 0.00 0.00 0.00 0.00 175.02 176.35 2khn s ALA 12 N 2.64 2.89 -0.31 3.16 0.00 -1.26 -4.97 121.76 123.91 2khn s ALA 12 Ca -0.03 -2.32 -0.09 0.00 0.00 0.00 0.00 51.96 49.52 2khn s ALA 12 Cb -0.09 -4.37 0.00 0.00 0.00 0.00 0.00 23.12 18.67 2khn s ALA 12 CO -0.18 -3.41 0.13 -1.14 0.00 0.00 0.00 175.76 171.16 2khn s GLN 13 N 4.42 3.18 -0.10 0.00 0.74 -1.26 -5.08 119.66 121.56 2khn s GLN 13 Ca 0.41 -0.82 0.01 0.00 0.05 0.00 0.00 55.36 55.01 2khn s GLN 13 Cb -0.02 -3.51 -0.02 0.00 1.10 0.00 0.00 33.01 30.55 2khn s GLN 13 CO -0.08 -0.46 -0.13 -0.59 -0.55 0.00 0.00 175.29 173.48 2khn s PHE 14 N 1.56 2.79 0.79 1.67 -0.71 -1.26 -5.12 117.98 117.69 2khn s PHE 14 Ca 0.03 -0.40 -0.11 0.00 -1.04 0.00 0.00 56.93 55.41 2khn s PHE 14 Cb -0.17 -1.76 0.06 0.00 -1.21 0.00 0.00 43.02 39.94 2khn s PHE 14 CO 0.05 -0.02 1.09 -1.25 -1.34 0.00 0.00 175.22 173.75 2khn s PRO 15 N -0.13 2.15 -0.05 1.99 0.04 -1.26 -5.07 135.00 132.66 2khn s PRO 15 Ca -0.01 0.95 0.01 0.00 0.04 0.00 0.00 61.00 62.00 2khn s PRO 15 Cb -0.14 -1.90 0.02 0.00 0.04 0.00 0.00 34.50 32.52 2khn s PRO 15 CO 0.03 -1.65 -0.05 -0.08 0.04 0.00 0.00 177.00 175.29 2khn s THR 16 N -2.98 0.63 0.42 1.26 -1.32 -1.26 -5.14 115.64 107.24 2khn s THR 16 Ca 0.61 -0.16 -0.18 0.00 -1.21 0.00 0.00 61.69 60.74 2khn s THR 16 Cb -0.16 -0.64 -0.10 0.00 -1.51 0.00 0.00 72.50 70.09 2khn s THR 16 CO 0.56 0.25 0.90 -2.16 -2.21 0.00 0.00 174.62 171.96 2khn s PRO 17 N 0.97 4.10 0.34 7.08 0.04 -1.26 -5.09 135.00 141.17 2khn s PRO 17 Ca -0.10 0.95 0.09 0.00 0.04 0.00 0.00 61.00 61.98 2khn s PRO 17 Cb -0.14 -2.24 -0.06 0.00 0.04 0.00 0.00 34.50 32.10 2khn s PRO 17 CO 0.00 -0.04 -0.01 -0.06 0.04 0.00 0.00 177.00 176.93 2khn s PHE 18 N -2.23 2.52 -3.43 0.56 0.40 -1.26 -5.11 117.98 109.42 2khn s PHE 18 Ca 0.59 -0.44 0.00 0.00 -0.60 0.00 0.00 56.93 56.48 2khn s PHE 18 Cb -0.10 -1.44 0.00 0.00 0.51 0.00 0.00 43.02 41.99 2khn s PHE 18 CO 0.19 0.51 0.00 0.41 0.70 0.00 0.00 175.22 177.03 2khn n GLY 19 N -0.91 -0.55 0.00 4.36 0.00 -1.26 -5.18 105.19 101.65 2khn n GLY 19 Ca -0.04 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.17 2khn n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2khn n GLY 20 N 0.00 2.95 2.60 -0.02 0.00 -1.26 -5.08 105.19 104.39 2khn n GLY 20 Ca 0.00 -1.60 -0.29 0.00 0.00 0.00 0.00 46.02 44.12 2khn n GLY 20 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2khn s SER 21 N 0.00 3.62 0.29 1.61 0.15 -1.26 -5.12 113.70 112.99 2khn s SER 21 Ca 0.00 -1.63 0.02 0.00 0.70 0.00 0.00 55.95 55.04 2khn s SER 21 Cb 0.00 -0.57 -0.04 0.00 -1.71 0.00 0.00 66.02 63.70 2khn s SER 21 CO 0.00 -0.40 0.13 -0.76 1.20 0.00 0.00 173.24 173.41 2khn s LEU 22 N 1.67 1.66 -1.09 3.45 1.43 -1.26 -4.93 118.68 119.60 2khn s LEU 22 Ca 0.11 -1.49 -0.19 0.00 -1.03 0.00 0.00 54.13 51.53 2khn s LEU 22 Cb -0.18 0.12 -0.01 0.00 0.03 0.00 0.00 46.19 46.15 2khn s LEU 22 CO -0.25 -0.83 0.78 0.47 0.23 0.00 0.00 176.35 176.75 2khn n ASP 23 N -0.75 -5.46 -0.11 2.29 8.00 -1.26 -4.93 116.55 114.32 2khn n ASP 23 Ca 0.00 -0.96 -0.22 0.00 0.71 0.00 0.00 54.79 54.33 2khn n ASP 23 Cb 0.65 -3.37 -0.12 0.00 -0.02 0.00 0.00 41.12 38.26 2khn n ASP 23 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2khn n THR 24 N -3.95 1.55 0.13 -3.53 -1.04 -1.26 -4.48 114.28 101.69 2khn n THR 24 Ca -0.10 -0.50 0.12 0.00 -2.04 0.00 0.00 64.05 61.52 2khn n THR 24 Cb 0.59 -1.62 0.02 0.00 -1.82 0.00 0.00 70.33 67.50 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 -0.30 0.00 -3.88 -1.42 4.06 -2.01 -3.46 115.95 108.94 2khn h TRP 25 Ca -0.57 0.00 -0.51 0.00 2.06 0.00 0.00 58.89 59.86 2khn h TRP 25 Cb 1.81 0.00 0.05 0.00 -1.00 0.00 0.00 29.16 30.02 2khn h TRP 25 CO 0.01 0.00 0.55 0.00 -3.56 0.00 0.00 178.44 175.44 2khn s ALA 26 N -3.35 3.35 -0.73 1.49 0.00 -1.26 -4.48 121.76 116.78 2khn s ALA 26 Ca 0.00 1.07 -0.22 0.00 0.00 0.00 0.00 51.96 52.81 2khn s ALA 26 Cb 0.09 -3.41 0.08 0.00 0.00 0.00 0.00 23.12 19.89 2khn s ALA 26 CO 0.78 -0.48 1.03 0.42 0.00 0.00 0.00 175.76 177.51 2khn s ILE 27 N -1.24 4.36 0.78 0.00 1.01 -1.26 -4.98 121.20 119.87 2khn s ILE 27 Ca 0.51 -0.59 -0.11 0.00 0.00 0.00 0.00 60.65 60.46 2khn s ILE 27 Cb -0.35 -4.73 0.07 0.00 0.01 0.00 0.00 42.46 37.46 2khn s ILE 27 CO 0.45 -1.51 1.15 -0.89 0.00 0.00 0.00 174.94 174.14 2khn s THR 28 N 3.91 2.23 0.27 2.92 2.01 -1.26 -4.85 115.64 120.86 2khn s THR 28 Ca 0.26 0.02 0.00 0.00 0.31 0.00 0.00 61.69 62.28 2khn s THR 28 Cb -0.13 -3.06 0.26 0.00 0.01 0.00 0.00 72.50 69.57 2khn s THR 28 CO 0.06 -0.08 1.79 0.58 -0.69 0.00 0.00 174.62 176.27 2khn h VAL 29 N -0.94 0.80 -0.20 3.82 2.07 -1.98 -0.42 116.25 119.39 2khn h VAL 29 Ca -0.46 -0.26 0.03 0.00 0.82 0.00 0.00 66.70 66.83 2khn h VAL 29 Cb 1.32 -0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 2khn h VAL 29 CO 0.65 0.14 0.03 -0.08 0.02 0.00 0.00 177.57 178.33 2khn h GLU 30 N 0.76 0.11 -0.25 1.57 4.81 -1.98 0.46 114.58 120.06 2khn h GLU 30 Ca 0.48 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.68 2khn h GLU 30 Cb 0.62 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.96 2khn h GLU 30 CO -0.33 0.07 0.04 0.93 -0.73 0.00 0.00 179.01 178.99 2khn h GLU 31 N 0.11 0.36 -0.00 1.92 4.39 -1.65 0.14 114.58 119.85 2khn h GLU 31 Ca 0.09 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.74 2khn h GLU 31 Cb 0.09 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 2khn h GLU 31 CO -0.12 0.36 -0.01 -0.09 -1.16 0.00 0.00 179.01 177.98 2khn h ARG 32 N 0.35 0.01 0.00 2.33 2.43 -0.37 -3.31 114.38 115.82 2khn h ARG 32 Ca 0.08 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.19 2khn h ARG 32 Cb 0.18 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 2khn h ARG 32 CO -0.00 0.69 -0.28 0.00 -1.51 0.00 0.00 179.97 178.87 2khn h ALA 33 N 0.32 1.12 0.00 2.80 0.00 0.18 -3.11 119.26 120.57 2khn h ALA 33 Ca -0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 2khn h ALA 33 Cb 0.69 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 2khn h ALA 33 CO 0.00 0.35 -0.08 1.57 0.00 0.00 0.00 179.25 181.10 2khn h LYS 34 N 0.00 0.00 -0.21 0.00 2.10 -0.80 -2.23 116.57 115.43 2khn h LYS 34 Ca -0.00 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.63 2khn h LYS 34 Cb 0.69 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.01 2khn h LYS 34 CO 0.04 0.08 0.06 1.12 -2.00 0.00 0.00 179.45 178.74 2khn h HIS 35 N 0.00 0.29 0.24 0.07 2.07 -1.70 -2.88 115.15 113.24 2khn h HIS 35 Ca -0.00 -0.01 -0.01 0.00 -2.85 0.00 0.00 60.37 57.50 2khn h HIS 35 Cb 0.21 -0.09 0.00 0.00 2.57 0.00 0.00 27.41 30.10 2khn h HIS 35 CO 0.00 0.26 -0.12 0.22 -3.07 0.00 0.00 177.93 175.22 2khn h ASP 36 N 0.30 -0.28 -0.36 3.10 1.82 -1.63 -1.32 116.42 118.05 2khn h ASP 36 Ca 0.07 -0.08 -0.11 0.00 -0.39 0.00 0.00 57.03 56.52 2khn h ASP 36 Cb 0.11 0.07 -0.01 0.00 0.68 0.00 0.00 39.33 40.18 2khn h ASP 36 CO -0.00 -0.09 -0.21 0.06 -1.61 0.00 0.00 179.24 177.38 2khn h GLN 37 N -0.45 0.78 -0.47 0.28 3.07 -1.68 -2.52 115.11 114.13 2khn h GLN 37 Ca -0.03 -0.36 -0.11 0.00 0.09 0.00 0.00 58.65 58.24 2khn h GLN 37 Cb 0.34 -0.01 -0.02 0.00 0.08 0.00 0.00 27.48 27.87 2khn h GLN 37 CO 0.06 0.98 -0.15 1.96 0.09 0.00 0.00 178.83 181.77 2khn h GLN 38 N 0.57 0.90 -0.70 0.06 7.50 -1.53 -2.74 115.11 119.17 2khn h GLN 38 Ca 0.08 -0.33 0.01 0.00 0.50 0.00 0.00 58.65 58.90 2khn h GLN 38 Cb 0.77 -0.06 -0.03 0.00 0.05 0.00 0.00 27.48 28.21 2khn h GLN 38 CO 0.06 0.98 0.46 0.35 -1.50 0.00 0.00 178.83 179.18 2khn h PHE 39 N 0.80 0.89 -0.75 2.96 3.04 -1.17 -2.21 116.94 120.49 2khn h PHE 39 Ca 0.12 0.02 0.12 0.00 3.98 0.00 0.00 57.97 62.21 2khn h PHE 39 Cb 0.68 -0.30 -0.05 0.00 2.56 0.00 0.00 35.95 38.84 2khn h PHE 39 CO 0.04 0.57 0.49 1.25 -2.02 0.00 0.00 178.31 178.64 2khn h HIS 40 N 0.95 0.62 0.00 0.41 2.76 -1.15 -2.03 115.15 116.72 2khn h HIS 40 Ca 0.26 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.44 2khn h HIS 40 Cb -0.10 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 28.66 2khn h HIS 40 CO -0.02 0.27 0.00 0.77 -1.30 0.00 0.00 177.93 177.65 2khn h SER 41 N 0.56 0.00 -0.14 3.26 0.02 -1.24 -2.74 113.55 113.26 2khn h SER 41 Ca 0.36 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.31 2khn h SER 41 Cb 0.61 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.15 2khn h SER 41 CO -0.13 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 175.74 2khn n LEU 42 N -2.75 1.91 -3.08 5.07 4.77 -0.76 -4.98 117.00 117.18 2khn n LEU 42 Ca 0.02 -0.75 -0.01 0.00 -0.03 0.00 0.00 56.01 55.24 2khn n LEU 42 Cb 0.35 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 2khn n LEU 42 CO 0.27 0.38 0.31 0.29 -1.33 0.00 0.00 177.39 177.31 2khn n LYS 43 N 0.48 -1.38 -2.02 3.23 5.02 -1.04 -4.94 118.16 117.51 2khn n LYS 43 Ca 0.17 1.50 -0.41 0.00 -2.02 0.00 0.00 58.31 57.55 2khn n LYS 43 Cb 0.38 -5.63 -0.02 0.00 -0.02 0.00 0.00 35.03 29.73 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 -3.05 4.27 0.00 1.97 0.04 -1.26 -4.98 135.00 131.99 2khn s PRO 44 Ca 0.01 2.29 0.00 0.00 0.04 0.00 0.00 61.00 63.34 2khn s PRO 44 Cb -0.00 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 31.42 2khn s PRO 44 CO 0.76 -0.41 0.17 -0.89 0.04 0.00 0.00 177.00 176.66 2khn n ILE 45 N 2.39 0.00 -1.44 0.56 -0.00 -1.20 -4.51 119.36 115.16 2khn n ILE 45 Ca 0.07 0.42 0.01 0.00 -0.00 0.00 0.00 62.75 63.26 2khn n ILE 45 Cb 0.40 -0.92 0.20 0.00 -0.00 0.00 0.00 39.64 39.32 2khn n ILE 45 CO 0.00 0.00 0.00 -1.20 -0.00 0.00 0.00 176.55 175.35 2khn n SER 46 N -0.99 2.29 0.00 4.38 7.64 -1.26 -4.86 113.62 120.82 2khn n SER 46 Ca 0.00 -3.71 0.00 0.00 1.01 0.00 0.00 58.87 56.17 2khn n SER 46 Cb 0.00 -0.58 0.00 0.00 -1.01 0.00 0.00 64.21 62.62 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 -1.11 0.82 3.23 0.23 0.00 -1.26 -5.08 105.19 102.03 2khn n GLY 47 Ca 0.26 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.02 1.47 0.30 1.61 -0.71 -1.26 -4.86 117.98 112.50 2khn s PHE 48 Ca 0.00 -0.48 0.06 0.00 -1.04 0.00 0.00 56.93 55.47 2khn s PHE 48 Cb 0.00 -0.79 -0.02 0.00 -1.21 0.00 0.00 43.02 40.99 2khn s PHE 48 CO 0.00 0.14 0.21 0.44 -1.34 0.00 0.00 175.22 174.68 2khn n ILE 49 N 0.93 0.00 -4.09 -4.49 -0.00 -1.26 -3.21 119.36 107.24 2khn n ILE 49 Ca -0.18 -2.07 -0.05 0.00 -0.00 0.00 0.00 62.75 60.45 2khn n ILE 49 Cb 0.55 0.97 -0.02 0.00 -0.00 0.00 0.00 39.64 41.14 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 -0.60 0.00 0.31 7.28 5.66 -1.26 -4.86 114.28 120.81 2khn n THR 50 Ca 0.04 -0.57 0.18 0.00 -3.05 0.00 0.00 64.05 60.65 2khn n THR 50 Cb 0.52 0.26 1.03 0.00 -1.55 0.00 0.00 70.33 70.58 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 0.45 0.00 0.93 1.09 0.00 -1.70 -0.80 103.07 103.04 2khn h GLY 51 Ca -0.06 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.19 2khn h GLY 51 CO 0.10 0.00 -0.06 -1.80 0.00 0.00 0.00 176.54 174.77 2khn h ASP 52 N 0.00 0.67 0.13 0.19 3.58 -1.92 0.13 116.42 119.20 2khn h ASP 52 Ca -0.00 -0.35 -0.25 0.00 0.42 0.00 0.00 57.03 56.85 2khn h ASP 52 Cb 0.04 -0.18 0.01 0.00 1.72 0.00 0.00 39.33 40.92 2khn h ASP 52 CO 0.00 0.86 -1.02 1.56 -2.88 0.00 0.00 179.24 177.76 2khn h GLN 53 N 0.46 0.59 -0.92 0.28 7.50 -1.78 -3.32 115.11 117.92 2khn h GLN 53 Ca 0.09 -0.65 0.04 0.00 0.50 0.00 0.00 58.65 58.63 2khn h GLN 53 Cb 0.56 0.19 -0.06 0.00 0.05 0.00 0.00 27.48 28.22 2khn h GLN 53 CO 0.03 1.25 0.60 0.00 -1.50 0.00 0.00 178.83 179.21 2khn h ALA 54 N 0.52 1.22 -0.54 3.87 0.00 -1.01 -2.04 119.26 121.29 2khn h ALA 54 Ca -0.12 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 2khn h ALA 54 Cb 1.67 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 19.12 2khn h ALA 54 CO 0.19 0.46 0.16 0.07 0.00 0.00 0.00 179.25 180.13 2khn h ARG 55 N 1.15 0.80 -0.01 0.00 0.11 -1.07 -2.34 114.38 113.03 2khn h ARG 55 Ca 0.37 -0.15 -0.08 0.00 0.10 0.00 0.00 59.98 60.22 2khn h ARG 55 Cb 0.02 -0.13 -0.01 0.00 1.11 0.00 0.00 29.97 30.95 2khn h ARG 55 CO -0.12 0.70 -0.40 -0.97 0.10 0.00 0.00 179.97 179.28 2khn h ASN 56 N 0.78 0.02 0.71 0.08 -1.24 -1.48 -1.78 115.58 112.67 2khn h ASN 56 Ca 0.18 -0.01 -0.03 0.00 0.71 0.00 0.00 56.30 57.15 2khn h ASN 56 Cb 0.24 -0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.28 2khn h ASN 56 CO -0.01 0.41 -0.48 0.15 -1.29 0.00 0.00 177.43 176.22 2khn h PHE 57 N 0.01 -1.28 0.00 0.67 3.57 -1.16 0.07 116.94 118.83 2khn h PHE 57 Ca -0.00 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.37 2khn h PHE 57 Cb 0.71 0.46 -0.02 0.00 2.79 0.00 0.00 35.95 39.89 2khn h PHE 57 CO 0.00 -0.70 -0.59 0.27 -2.23 0.00 0.00 178.31 175.07 2khn h PHE 58 N -1.13 0.00 -0.71 0.41 -5.15 -1.60 -3.16 116.94 105.60 2khn h PHE 58 Ca -0.09 0.00 -0.07 0.00 -0.20 0.00 0.00 57.97 57.61 2khn h PHE 58 Cb 0.92 0.00 -0.03 0.00 0.22 0.00 0.00 35.95 37.06 2khn h PHE 58 CO -0.13 0.59 0.18 0.35 -2.00 0.00 0.00 178.31 177.30 2khn h PHE 59 N 0.00 1.19 0.00 6.09 3.57 -1.20 -2.02 116.94 124.56 2khn h PHE 59 Ca -0.01 -0.14 -0.03 0.00 3.53 0.00 0.00 57.97 61.33 2khn h PHE 59 Cb 1.37 -0.34 -0.00 0.00 2.79 0.00 0.00 35.95 39.76 2khn h PHE 59 CO 0.00 0.96 -0.14 0.37 -2.23 0.00 0.00 178.31 177.26 2khn h GLN 60 N 1.08 0.00 -0.24 1.11 5.75 -0.95 -3.01 115.11 118.85 2khn h GLN 60 Ca 0.23 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.72 2khn h GLN 60 Cb 0.36 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.90 2khn h GLN 60 CO 0.00 0.14 0.14 1.03 -2.65 0.00 0.00 178.83 177.49 2khn h SER 61 N 0.00 0.30 0.00 -0.69 0.87 -1.36 -3.47 113.55 109.20 2khn h SER 61 Ca -0.00 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 2khn h SER 61 Cb 0.50 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.38 2khn h SER 61 CO 0.02 0.28 0.00 0.61 -0.53 0.00 0.00 176.83 177.21 2khn n GLY 62 N -0.99 1.97 3.94 5.77 0.00 -1.14 -5.12 105.19 109.63 2khn n GLY 62 Ca -0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.75 2khn n GLY 62 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2khn s LEU 63 N 0.00 4.19 0.68 0.99 1.43 -1.26 -5.08 118.68 119.62 2khn s LEU 63 Ca 0.00 0.31 -0.17 0.00 -1.03 0.00 0.00 54.13 53.24 2khn s LEU 63 Cb 0.00 -3.12 0.01 0.00 0.03 0.00 0.00 46.19 43.11 2khn s LEU 63 CO 0.00 -0.13 1.27 -2.65 0.23 0.00 0.00 176.35 175.07 2khn n PRO 64 N -1.24 0.93 -0.11 1.29 -0.02 -1.26 -4.69 135.00 129.90 2khn n PRO 64 Ca -0.06 0.38 -0.05 0.00 -2.02 0.00 0.00 63.50 61.75 2khn n PRO 64 Cb 0.56 -2.51 0.01 0.00 -0.02 0.00 0.00 33.50 31.53 2khn n PRO 64 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2khn h GLN 65 N 0.25 -0.07 -0.62 -0.52 7.50 -1.99 0.93 115.11 120.60 2khn h GLN 65 Ca -0.50 0.00 0.09 0.00 0.50 0.00 0.00 58.65 58.74 2khn h GLN 65 Cb 1.33 0.01 -0.04 0.00 0.05 0.00 0.00 27.48 28.84 2khn h GLN 65 CO 0.52 -0.04 0.41 -1.35 -1.50 0.00 0.00 178.83 176.86 2khn h PRO 66 N -0.07 0.46 -0.05 1.46 0.11 -2.00 -0.91 132.00 131.00 2khn h PRO 66 Ca 0.19 -0.03 -0.22 0.00 0.11 0.00 0.00 66.00 66.05 2khn h PRO 66 Cb 0.36 -0.10 0.01 0.00 0.11 0.00 0.00 31.00 31.37 2khn h PRO 66 CO -0.44 0.30 -0.88 0.28 -0.21 0.00 0.00 178.00 177.06 2khn h VAL 67 N 0.47 1.34 -0.01 3.15 2.07 -1.44 -2.57 116.25 119.27 2khn h VAL 67 Ca 0.28 -2.23 -0.00 0.00 0.82 0.00 0.00 66.70 65.57 2khn h VAL 67 Cb 0.48 2.24 -0.00 0.00 -1.52 0.00 0.00 31.29 32.49 2khn h VAL 67 CO -0.08 0.68 0.00 -0.07 0.02 0.00 0.00 177.57 178.12 2khn h LEU 68 N 0.34 0.01 -1.41 2.57 3.38 0.15 -1.61 115.31 118.74 2khn h LEU 68 Ca -0.07 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 2khn h LEU 68 Cb 1.50 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.22 2khn h LEU 68 CO 0.16 0.11 0.30 0.00 0.09 0.00 0.00 178.44 179.11 2khn h ALA 69 N 0.90 1.56 -0.63 1.53 0.00 -1.26 -2.15 119.26 119.21 2khn h ALA 69 Ca 0.00 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 2khn h ALA 69 Cb 0.10 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 2khn h ALA 69 CO -0.00 0.38 0.13 0.37 0.00 0.00 0.00 179.25 180.13 2khn h GLN 70 N 0.71 1.03 0.14 0.00 -0.00 -1.12 -0.98 115.11 114.89 2khn h GLN 70 Ca 0.19 -0.26 0.02 0.00 -0.00 0.00 0.00 58.65 58.59 2khn h GLN 70 Cb -0.01 -0.13 -0.03 0.00 0.00 0.00 0.00 27.48 27.31 2khn h GLN 70 CO -0.03 0.94 -0.25 0.82 0.00 0.00 0.00 178.83 180.31 2khn h ILE 71 N 0.95 0.44 -0.20 2.39 2.04 -0.63 -0.94 117.51 121.56 2khn h ILE 71 Ca 0.20 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.05 2khn h ILE 71 Cb 0.39 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 2khn h ILE 71 CO 0.01 0.00 0.09 -0.25 0.00 0.00 0.00 178.15 178.00 2khn h TRP 72 N -0.47 0.30 -0.80 1.37 7.01 -1.41 0.03 115.95 121.98 2khn h TRP 72 Ca 0.02 -0.02 0.08 0.00 2.11 0.00 0.00 58.89 61.09 2khn h TRP 72 Cb 0.49 -0.09 -0.05 0.00 -2.10 0.00 0.00 29.16 27.40 2khn h TRP 72 CO -0.22 0.32 0.52 0.00 -2.79 0.00 0.00 178.44 176.27 2khn h ALA 73 N 0.94 1.71 0.03 2.65 0.00 -0.99 -0.48 119.26 123.12 2khn h ALA 73 Ca 0.07 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.74 2khn h ALA 73 Cb 0.15 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2khn h ALA 73 CO -0.01 0.14 -1.03 -0.07 0.00 0.00 0.00 179.25 178.29 2khn h LEU 74 N 0.78 0.13 0.49 0.00 3.38 -0.93 -3.39 115.31 115.77 2khn h LEU 74 Ca 0.36 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.17 2khn h LEU 74 Cb 0.37 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2khn h LEU 74 CO -0.13 1.07 -0.24 0.00 0.09 0.00 0.00 178.44 179.23 2khn h ALA 75 N 0.91 -0.93 -1.47 1.53 0.00 0.70 -3.32 119.26 116.68 2khn h ALA 75 Ca -0.04 -0.14 -0.67 0.00 0.00 0.00 0.00 54.91 54.05 2khn h ALA 75 Cb 1.76 0.26 -0.14 0.00 0.00 0.00 0.00 17.79 19.67 2khn h ALA 75 CO 0.15 -0.88 1.36 0.16 0.00 0.00 0.00 179.25 180.03 2khn s ASP 76 N -3.62 6.72 0.54 0.00 -4.77 -1.04 -4.68 116.67 109.82 2khn s ASP 76 Ca -0.10 -2.15 0.23 0.00 -3.30 0.00 0.00 52.55 47.23 2khn s ASP 76 Cb 0.01 -2.48 1.40 0.00 -1.09 0.00 0.00 42.92 40.77 2khn s ASP 76 CO 0.29 -1.14 2.06 0.24 0.70 0.00 0.00 175.17 177.32 2khn h MET 77 N 8.53 0.00 0.00 2.11 2.86 -1.80 0.49 114.93 127.11 2khn h MET 77 Ca 0.25 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.89 2khn h MET 77 Cb 0.96 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.62 2khn h MET 77 CO 1.28 0.00 0.00 -1.71 1.06 0.00 0.00 176.91 177.54 2khn n ASN 78 N -4.33 0.21 -3.20 1.22 5.15 -1.26 -4.92 115.26 108.12 2khn n ASN 78 Ca 0.05 0.54 -0.09 0.00 -0.60 0.00 0.00 54.58 54.49 2khn n ASN 78 Cb 0.41 -0.59 0.00 0.00 -0.53 0.00 0.00 39.78 39.08 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 -1.72 -7.09 0.04 1.20 4.05 0.17 -4.96 115.26 106.95 2khn n ASN 79 Ca 0.04 -0.16 -0.21 0.00 0.45 0.00 0.00 54.58 54.69 2khn n ASN 79 Cb 0.22 -4.37 -0.14 0.00 1.23 0.00 0.00 39.78 36.71 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 0.65 0.51 0.00 1.20 3.58 -1.92 -3.48 116.42 116.95 2khn h ASP 80 Ca -0.16 -0.89 0.00 0.00 0.42 0.00 0.00 57.03 56.40 2khn h ASP 80 Cb 1.11 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.99 2khn h ASP 80 CO 0.29 1.77 0.00 0.61 -2.88 0.00 0.00 179.24 179.03 2khn n GLY 81 N 1.89 1.34 0.00 -0.78 0.00 -1.26 -4.74 105.19 101.64 2khn n GLY 81 Ca -0.27 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.00 3.68 -2.23 1.61 3.00 -1.26 -4.01 116.66 115.45 2khn n ARG 82 Ca 0.00 -0.00 -0.01 0.00 -0.01 0.00 0.00 57.85 57.83 2khn n ARG 82 Cb 0.00 -1.00 -0.01 0.00 0.00 0.00 0.00 32.46 31.45 2khn n ARG 82 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.63 177.51 2khn n MET 83 N -1.97 -2.38 -1.62 5.56 0.00 -1.26 -3.96 117.12 111.49 2khn n MET 83 Ca -0.00 2.05 -0.27 0.00 -0.00 0.00 0.00 57.70 59.47 2khn n MET 83 Cb 0.47 -3.68 0.20 0.00 0.00 0.00 0.00 33.22 30.20 2khn n MET 83 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 2khn n ASP 84 N 0.61 -0.29 -0.15 6.12 2.03 -1.26 -4.40 116.55 119.20 2khn n ASP 84 Ca -0.07 -1.39 -0.03 0.00 0.52 0.00 0.00 54.79 53.82 2khn n ASP 84 Cb 0.11 -0.94 0.06 0.00 -0.72 0.00 0.00 41.12 39.63 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 0.27 -0.36 -0.67 7.50 -1.97 0.68 115.11 120.57 2khn h GLN 85 Ca -0.40 -0.02 -0.05 0.00 0.50 0.00 0.00 58.65 58.68 2khn h GLN 85 Cb 1.11 -0.06 -0.01 0.00 0.05 0.00 0.00 27.48 28.57 2khn h GLN 85 CO 0.28 0.18 0.02 0.28 -1.50 0.00 0.00 178.83 178.09 2khn h VAL 86 N 0.28 1.25 -0.53 -0.54 2.07 -1.99 0.95 116.25 117.75 2khn h VAL 86 Ca 0.23 -0.93 -0.10 0.00 0.82 0.00 0.00 66.70 66.72 2khn h VAL 86 Cb 0.28 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 2khn h VAL 86 CO -0.27 0.31 -0.05 -0.33 0.02 0.00 0.00 177.57 177.25 2khn h GLU 87 N 0.44 0.96 -0.11 1.57 3.07 -1.63 -2.54 114.58 116.34 2khn h GLU 87 Ca 0.10 -0.33 -0.08 0.00 -0.50 0.00 0.00 59.36 58.55 2khn h GLU 87 Cb 0.43 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.25 2khn h GLU 87 CO 0.01 1.00 -0.29 0.35 -1.40 0.00 0.00 179.01 178.68 2khn h PHE 88 N 0.83 0.23 -0.02 4.33 3.57 0.50 -2.92 116.94 123.45 2khn h PHE 88 Ca 0.14 -0.04 -0.13 0.00 3.53 0.00 0.00 57.97 61.46 2khn h PHE 88 Cb 0.59 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.26 2khn h PHE 88 CO 0.04 0.48 -0.61 0.77 -2.23 0.00 0.00 178.31 176.77 2khn h SER 89 N 0.18 0.10 1.76 0.41 0.02 -0.43 -3.06 113.55 112.54 2khn h SER 89 Ca 0.03 -0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 60.90 2khn h SER 89 Cb 0.62 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 63.12 2khn h SER 89 CO 0.04 0.68 -0.24 -0.29 -1.14 0.00 0.00 176.83 175.89 2khn h ILE 90 N 0.06 0.16 0.00 3.27 2.10 -1.28 -3.14 117.51 118.68 2khn h ILE 90 Ca -0.01 -1.23 0.00 0.00 1.08 0.00 0.00 64.86 64.70 2khn h ILE 90 Cb 1.09 2.01 0.00 0.00 -1.09 0.00 0.00 36.82 38.83 2khn h ILE 90 CO 0.08 0.09 0.00 0.00 -1.08 0.00 0.00 178.15 177.25 2khn h ALA 91 N 1.90 1.00 -0.17 0.18 0.00 -1.41 -2.97 119.26 117.78 2khn h ALA 91 Ca -0.00 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.93 2khn h ALA 91 Cb 1.08 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 2khn h ALA 91 CO 0.01 0.00 0.12 0.52 0.00 0.00 0.00 179.25 179.90 2khn h MET 92 N 0.00 0.14 0.16 0.00 2.86 -1.65 -1.88 114.93 114.57 2khn h MET 92 Ca 0.00 -0.01 -0.32 0.00 -2.06 0.00 0.00 59.70 57.31 2khn h MET 92 Cb 0.38 -0.03 0.01 0.00 0.06 0.00 0.00 31.60 32.01 2khn h MET 92 CO 0.00 0.10 -1.55 -0.22 1.06 0.00 0.00 176.91 176.30 2khn h LYS 93 N 0.15 0.35 -0.80 1.72 3.64 -1.77 -3.30 116.57 116.56 2khn h LYS 93 Ca 0.07 -0.59 0.01 0.00 -1.27 0.00 0.00 60.65 58.87 2khn h LYS 93 Cb 0.11 0.22 -0.04 0.00 -0.41 0.00 0.00 32.23 32.11 2khn h LYS 93 CO -0.01 1.24 0.53 -0.07 -2.27 0.00 0.00 179.45 178.87 2khn h LEU 94 N 0.09 0.91 -0.86 5.20 4.07 -1.47 0.50 115.31 123.75 2khn h LEU 94 Ca -0.26 -0.02 0.01 0.00 0.08 0.00 0.00 57.88 57.69 2khn h LEU 94 Cb 2.06 -0.22 -0.04 0.00 1.08 0.00 0.00 40.66 43.54 2khn h LEU 94 CO 0.19 0.65 0.57 0.40 -1.08 0.00 0.00 178.44 179.17 2khn h ILE 95 N 1.07 1.22 -0.22 1.22 1.08 -1.57 0.15 117.51 120.46 2khn h ILE 95 Ca 0.30 -0.40 -0.08 0.00 -0.39 0.00 0.00 64.86 64.29 2khn h ILE 95 Cb -0.11 -0.05 -0.00 0.00 -3.07 0.00 0.00 36.82 33.59 2khn h ILE 95 CO -0.07 0.21 -0.17 0.50 -0.69 0.00 0.00 178.15 177.94 2khn h LYS 96 N 1.16 0.51 0.03 2.37 3.11 -1.33 -2.57 116.57 119.85 2khn h LYS 96 Ca 0.32 -0.25 -0.22 0.00 -2.81 0.00 0.00 60.65 57.69 2khn h LYS 96 Cb -0.13 -0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.09 2khn h LYS 96 CO -0.07 0.81 -0.98 1.37 -2.81 0.00 0.00 179.45 177.77 2khn h LEU 97 N 0.20 0.29 -0.77 5.20 8.10 -0.78 -3.18 115.31 124.37 2khn h LEU 97 Ca 0.04 -0.26 -0.12 0.00 0.11 0.00 0.00 57.88 57.66 2khn h LEU 97 Cb 0.69 -0.09 -0.01 0.00 -0.44 0.00 0.00 40.66 40.81 2khn h LEU 97 CO 0.04 1.11 -0.35 0.11 -4.11 0.00 0.00 178.44 175.24 2khn h LYS 98 N 0.10 0.53 0.00 0.17 1.57 -0.72 -1.63 116.57 116.59 2khn h LYS 98 Ca -0.06 -0.24 -0.02 0.00 -1.87 0.00 0.00 60.65 58.46 2khn h LYS 98 Cb 1.65 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.95 2khn h LYS 98 CO 0.15 0.80 -0.09 -0.07 -0.57 0.00 0.00 179.45 179.68 2khn h LEU 99 N 0.45 0.00 0.00 2.94 3.38 -1.48 -1.53 115.31 119.06 2khn h LEU 99 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2khn h LEU 99 Cb 0.82 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.57 2khn h LEU 99 CO 0.07 0.09 -0.29 1.56 0.09 0.00 0.00 178.44 179.95 2khn h GLN 100 N 0.00 0.00 0.00 1.13 1.08 -1.29 -3.47 115.11 112.56 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 0.33 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.76 2khn h GLN 100 CO 0.01 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.30 2khn n GLY 101 N 1.15 0.45 3.20 3.46 0.00 -0.58 -5.11 105.19 107.76 2khn n GLY 101 Ca 0.03 -0.75 -0.09 0.00 0.00 0.00 0.00 46.02 45.21 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 0.00 0.42 0.00 1.61 2.02 -1.20 -4.97 117.35 115.23 2khn s TYR 102 Ca 0.00 -0.85 0.00 0.00 -0.37 0.00 0.00 57.07 55.85 2khn s TYR 102 Cb 0.00 -0.21 0.00 0.00 -0.40 0.00 0.00 41.96 41.35 2khn s TYR 102 CO 0.00 -0.55 0.00 0.94 -1.57 0.00 0.00 175.55 174.37 2khn n GLN 103 N -0.07 0.00 -0.55 -0.62 7.27 -1.26 -4.54 117.38 117.61 2khn n GLN 103 Ca -0.11 0.00 0.06 0.00 0.07 0.00 0.00 57.00 57.01 2khn n GLN 103 Cb 0.62 -0.47 -0.03 0.00 2.41 0.00 0.00 30.24 32.77 2khn n GLN 103 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 2khn n LEU 104 N -2.47 -0.42 0.00 1.69 4.32 -1.26 -4.91 117.00 113.95 2khn n LEU 104 Ca 0.00 0.93 0.00 0.00 -0.02 0.00 0.00 56.01 56.92 2khn n LEU 104 Cb 0.27 -1.05 0.00 0.00 -1.62 0.00 0.00 43.42 41.01 2khn n LEU 104 CO 0.00 -0.73 0.00 -0.81 -1.22 0.00 0.00 177.39 174.63 2khn n PRO 105 N -2.74 1.04 -0.09 3.23 -0.04 -1.26 -4.96 135.00 130.18 2khn n PRO 105 Ca -0.03 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.48 2khn n PRO 105 Cb 0.25 0.00 0.18 0.00 -0.04 0.00 0.00 33.50 33.89 2khn n PRO 105 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2khn n SER 106 N -1.11 1.11 -3.74 3.54 3.41 -1.26 -4.59 113.62 110.98 2khn n SER 106 Ca 0.00 -1.90 -0.25 0.00 -0.26 0.00 0.00 58.87 56.46 2khn n SER 106 Cb 0.00 -0.12 -0.17 0.00 -0.26 0.00 0.00 64.21 63.66 2khn n SER 106 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2khn s ALA 107 N -1.75 0.81 0.54 7.33 0.00 -1.26 -4.91 121.76 122.52 2khn s ALA 107 Ca 0.18 -0.41 -0.15 0.00 0.00 0.00 0.00 51.96 51.59 2khn s ALA 107 Cb 0.09 -0.98 -0.07 0.00 0.00 0.00 0.00 23.12 22.17 2khn s ALA 107 CO 0.13 -0.87 1.00 -0.48 0.00 0.00 0.00 175.76 175.54 2khn s LEU 108 N 1.94 3.53 0.74 0.00 0.05 -1.26 -5.02 118.68 118.65 2khn s LEU 108 Ca 0.02 1.54 -0.15 0.00 0.05 0.00 0.00 54.13 55.58 2khn s LEU 108 Cb -0.15 -4.50 0.01 0.00 -2.05 0.00 0.00 46.19 39.50 2khn s LEU 108 CO -0.07 -0.66 0.92 -2.65 -0.55 0.00 0.00 176.35 173.34 2khn n PRO 109 N -1.87 0.41 0.32 1.48 -0.02 -1.26 -4.85 135.00 129.21 2khn n PRO 109 Ca 0.06 0.20 0.21 0.00 -2.02 0.00 0.00 63.50 61.95 2khn n PRO 109 Cb 0.54 -2.19 1.04 0.00 -0.02 0.00 0.00 33.50 32.88 2khn n PRO 109 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2khn h PRO 110 N -0.39 0.00 0.00 0.52 0.13 -1.95 -1.70 132.00 128.61 2khn h PRO 110 Ca -0.47 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.55 2khn h PRO 110 Cb 1.33 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.44 2khn h PRO 110 CO 0.46 0.00 -0.54 0.28 -0.23 0.00 0.00 178.00 177.97 2khn h VAL 111 N 0.00 1.34 0.14 1.56 2.07 -1.90 0.62 116.25 120.08 2khn h VAL 111 Ca -0.00 -1.90 -0.29 0.00 0.82 0.00 0.00 66.70 65.33 2khn h VAL 111 Cb 0.17 2.04 0.02 0.00 -1.52 0.00 0.00 31.29 31.99 2khn h VAL 111 CO 0.00 0.53 -1.26 0.24 0.02 0.00 0.00 177.57 177.10 2khn h MET 112 N 0.00 0.40 -0.00 1.57 2.86 -1.53 -3.05 114.93 115.19 2khn h MET 112 Ca -0.01 -0.63 0.00 0.00 -2.06 0.00 0.00 59.70 57.01 2khn h MET 112 Cb 0.99 0.22 0.00 0.00 0.06 0.00 0.00 31.60 32.88 2khn h MET 112 CO 0.07 1.28 -0.11 0.36 1.06 0.00 0.00 176.91 179.57 2khn n LYS 113 N -3.64 0.33 -1.01 1.72 2.85 -1.18 -5.03 118.16 112.20 2khn n LYS 113 Ca -0.11 -0.08 0.14 0.00 -1.05 0.00 0.00 58.31 57.21 2khn n LYS 113 Cb 1.01 -1.50 -0.04 0.00 -0.65 0.00 0.00 35.03 33.86 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 -1.27 -2.05 -3.14 -1.58 6.02 0.20 -4.77 117.38 110.80 2khn n GLN 114 Ca 0.11 1.37 -0.39 0.00 -0.01 0.00 0.00 57.00 58.08 2khn n GLN 114 Cb 0.30 -2.49 -0.05 0.00 1.02 0.00 0.00 30.24 29.02 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 -1.96 4.40 -0.19 -1.09 2.00 -1.26 -4.81 119.66 116.74 2khn s GLN 115 Ca 0.00 0.72 -0.34 0.00 -2.00 0.00 0.00 55.36 53.74 2khn s GLN 115 Cb 0.00 -3.45 -0.11 0.00 0.80 0.00 0.00 33.01 30.25 2khn s GLN 115 CO 0.00 0.09 2.01 -2.30 -0.50 0.00 0.00 175.29 174.59 2khn n PRO 116 N 3.78 1.78 -4.42 1.67 -0.02 -1.26 -4.97 135.00 131.56 2khn n PRO 116 Ca -0.03 0.60 -0.26 0.00 -2.02 0.00 0.00 63.50 61.78 2khn n PRO 116 Cb 0.51 -2.65 -0.09 0.00 -0.02 0.00 0.00 33.50 31.25 2khn n PRO 116 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2khn s VAL 117 N 5.58 2.26 -1.38 -1.45 -7.23 -1.26 -4.69 120.40 112.23 2khn s VAL 117 Ca 0.99 -1.95 -0.02 0.00 -1.81 0.00 0.00 61.98 59.19 2khn s VAL 117 Cb -0.71 -2.90 0.01 0.00 0.56 0.00 0.00 36.38 33.34 2khn s VAL 117 CO 0.50 -0.08 0.14 0.00 -0.31 0.00 0.00 175.10 175.34 2khn n ALA 118 N -1.00 -0.79 -2.78 1.32 0.00 -1.26 -4.95 120.51 111.06 2khn n ALA 118 Ca -0.04 0.15 -0.36 0.00 0.00 0.00 0.00 53.44 53.19 2khn n ALA 118 Cb 0.65 -2.19 -0.07 0.00 0.00 0.00 0.00 19.45 17.84 2khn n ALA 118 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2khn s ILE 119 N -2.86 5.44 0.71 0.00 2.07 -1.26 -5.10 121.20 120.20 2khn s ILE 119 Ca 0.08 0.20 -0.05 0.00 -1.41 0.00 0.00 60.65 59.47 2khn s ILE 119 Cb -0.04 -3.45 0.09 0.00 0.13 0.00 0.00 42.46 39.18 2khn s ILE 119 CO 0.10 0.50 1.01 -0.44 -1.91 0.00 0.00 174.94 174.20 2khn s SER 120 N -0.08 4.60 0.00 4.50 0.01 -1.26 -5.22 113.70 116.25 2khn s SER 120 Ca 0.10 0.21 0.10 0.00 1.31 0.00 0.00 55.95 57.67 2khn s SER 120 Cb -0.11 -0.77 0.08 0.00 0.21 0.00 0.00 66.02 65.42 2khn s SER 120 CO -0.00 -1.71 0.81 -1.20 0.41 0.00 0.00 173.24 171.55