#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 -2.32 3.53 3.03 0.00 -1.26 -5.09 105.19 103.09 2khn n GLY 2 Ca 0.00 0.78 -0.29 0.00 0.00 0.00 0.00 46.02 46.51 2khn n GLY 2 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2khn n HIS 3 N -0.42 -2.55 -4.34 1.61 -0.00 -1.26 -5.00 115.22 103.26 2khn n HIS 3 Ca 0.00 1.05 -0.22 0.00 -0.00 0.00 0.00 57.72 58.55 2khn n HIS 3 Cb 0.00 -2.46 -0.16 0.00 -0.00 0.00 0.00 29.99 27.36 2khn n HIS 3 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2khn s HIS 4 N -2.20 1.03 -0.12 4.41 4.02 -1.26 -5.13 115.29 116.04 2khn s HIS 4 Ca 0.21 -0.33 -0.00 0.00 1.02 0.00 0.00 55.06 55.96 2khn s HIS 4 Cb -0.03 -0.82 0.02 0.00 -1.02 0.00 0.00 32.58 30.74 2khn s HIS 4 CO 0.87 -0.22 -0.09 -3.38 1.02 0.00 0.00 174.74 172.94 2khn s HIS 5 N 0.79 1.64 -0.32 1.40 -0.00 -1.26 -5.10 115.29 112.43 2khn s HIS 5 Ca -0.13 -0.85 -0.03 0.00 -0.00 0.00 0.00 55.06 54.06 2khn s HIS 5 Cb -0.15 -1.31 0.06 0.00 -0.00 0.00 0.00 32.58 31.18 2khn s HIS 5 CO 0.02 -0.54 0.05 -1.58 -0.00 0.00 0.00 174.74 172.68 2khn s HIS 6 N 1.63 3.32 -0.36 0.38 5.65 -1.26 -5.07 115.29 119.58 2khn s HIS 6 Ca 0.04 -1.91 -0.26 0.00 0.25 0.00 0.00 55.06 53.18 2khn s HIS 6 Cb -0.13 -2.33 0.02 0.00 -1.18 0.00 0.00 32.58 28.95 2khn s HIS 6 CO -0.08 -0.82 0.94 -1.01 -0.65 0.00 0.00 174.74 173.11 2khn s HIS 7 N 1.25 3.08 -0.30 3.88 0.09 -1.26 -4.97 115.29 117.06 2khn s HIS 7 Ca -0.02 0.81 0.02 0.00 -0.00 0.00 0.00 55.06 55.87 2khn s HIS 7 Cb -0.20 -3.66 0.16 0.00 -0.00 0.00 0.00 32.58 28.88 2khn s HIS 7 CO -0.01 -0.82 0.41 -1.58 -0.00 0.00 0.00 174.74 172.73 2khn s HIS 8 N 3.50 -0.94 0.52 1.40 5.65 -1.26 -5.14 115.29 119.02 2khn s HIS 8 Ca 0.39 0.18 -0.02 0.00 0.25 0.00 0.00 55.06 55.86 2khn s HIS 8 Cb -0.12 -0.18 0.00 0.00 -1.18 0.00 0.00 32.58 31.10 2khn s HIS 8 CO 0.18 -0.99 0.78 0.45 -0.65 0.00 0.00 174.74 174.51 2khn s SER 9 N 2.40 5.68 -0.35 9.88 0.15 -1.26 -5.07 113.70 125.13 2khn s SER 9 Ca 0.11 0.44 -0.09 0.00 0.70 0.00 0.00 55.95 57.10 2khn s SER 9 Cb -0.12 -1.56 0.02 0.00 -1.71 0.00 0.00 66.02 62.66 2khn s SER 9 CO -0.27 -0.89 0.17 -2.28 1.20 0.00 0.00 173.24 171.17 2khn s HIS 10 N -2.76 3.23 -0.40 3.44 5.04 -1.26 -5.03 115.29 117.55 2khn s HIS 10 Ca 0.51 -1.02 -0.27 0.00 -1.54 0.00 0.00 55.06 52.74 2khn s HIS 10 Cb -0.10 -2.38 -0.04 0.00 0.04 0.00 0.00 32.58 30.10 2khn s HIS 10 CO 0.41 -0.64 2.07 -1.64 -2.34 0.00 0.00 174.74 172.60 2khn s MET 11 N 1.52 2.82 -0.38 2.88 -1.94 -1.26 -3.76 119.30 119.18 2khn s MET 11 Ca 0.02 1.40 -0.10 0.00 -1.71 0.00 0.00 55.69 55.29 2khn s MET 11 Cb -0.19 -4.38 0.01 0.00 2.01 0.00 0.00 34.83 32.29 2khn s MET 11 CO 0.05 -2.47 0.37 0.00 -0.01 0.00 0.00 175.02 172.96 2khn n ALA 12 N 12.59 -3.18 -3.36 3.03 0.00 -1.26 -4.95 120.51 123.37 2khn n ALA 12 Ca 0.28 0.90 -0.46 0.00 0.00 0.00 0.00 53.44 54.16 2khn n ALA 12 Cb 0.50 -2.69 -0.02 0.00 0.00 0.00 0.00 19.45 17.24 2khn n ALA 12 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2khn s GLN 13 N -2.22 3.67 -0.35 0.00 0.74 -1.25 -4.99 119.66 115.27 2khn s GLN 13 Ca 0.15 -2.65 -0.01 0.00 0.05 0.00 0.00 55.36 52.90 2khn s GLN 13 Cb -0.04 -4.41 0.08 0.00 1.10 0.00 0.00 33.01 29.74 2khn s GLN 13 CO 0.77 -1.27 0.08 -0.59 -0.55 0.00 0.00 175.29 173.73 2khn s PHE 14 N -0.20 3.48 -0.03 1.67 -0.71 -1.26 -5.09 117.98 115.84 2khn s PHE 14 Ca 0.21 -2.31 -0.30 0.00 -1.04 0.00 0.00 56.93 53.49 2khn s PHE 14 Cb -0.11 -2.68 -0.03 0.00 -1.21 0.00 0.00 43.02 39.00 2khn s PHE 14 CO -0.09 -0.90 1.11 -1.25 -1.34 0.00 0.00 175.22 172.76 2khn s PRO 15 N 1.14 4.43 -0.26 1.99 0.04 -1.26 -5.02 135.00 136.05 2khn s PRO 15 Ca 0.03 1.58 -0.01 0.00 0.04 0.00 0.00 61.00 62.64 2khn s PRO 15 Cb -0.21 -3.49 0.08 0.00 0.04 0.00 0.00 34.50 30.93 2khn s PRO 15 CO -0.04 -0.29 0.04 0.95 0.04 0.00 0.00 177.00 177.71 2khn s THR 16 N 1.65 1.04 0.76 1.26 -4.23 -1.26 -5.13 115.64 109.72 2khn s THR 16 Ca 0.54 -1.21 -0.10 0.00 -1.18 0.00 0.00 61.69 59.75 2khn s THR 16 Cb -0.24 -1.61 0.17 0.00 1.34 0.00 0.00 72.50 72.17 2khn s THR 16 CO 0.24 -0.42 1.03 -0.81 -0.54 0.00 0.00 174.62 174.13 2khn n PRO 17 N 4.82 -0.74 -3.79 3.99 -0.05 -1.26 -5.05 135.00 132.91 2khn n PRO 17 Ca -0.06 -1.92 -0.35 0.00 -0.05 0.00 0.00 63.50 61.12 2khn n PRO 17 Cb 0.44 -0.96 -0.11 0.00 -0.05 0.00 0.00 33.50 32.81 2khn n PRO 17 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 175.50 175.39 2khn s PHE 18 N -3.17 3.50 0.00 0.54 0.08 -1.26 -4.91 117.98 112.76 2khn s PHE 18 Ca 0.61 -2.65 0.00 0.00 0.12 0.00 0.00 56.93 55.01 2khn s PHE 18 Cb -0.02 -3.15 0.00 0.00 -0.57 0.00 0.00 43.02 39.27 2khn s PHE 18 CO 0.42 -0.90 0.00 0.41 -0.10 0.00 0.00 175.22 175.05 2khn n GLY 19 N 4.00 -0.20 2.45 4.36 0.00 -1.26 -5.00 105.19 109.55 2khn n GLY 19 Ca 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.01 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 3.02 0.56 1.39 -0.02 0.00 -1.26 -4.84 105.19 104.04 2khn n GLY 20 Ca 0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 46.02 45.83 2khn n GLY 20 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2khn n SER 21 N -0.27 3.73 -2.62 1.61 7.64 -1.26 -4.97 113.62 117.48 2khn n SER 21 Ca -0.04 -3.35 -0.05 0.00 1.01 0.00 0.00 58.87 56.45 2khn n SER 21 Cb 0.29 -0.65 -0.04 0.00 -1.01 0.00 0.00 64.21 62.80 2khn n SER 21 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2khn n LEU 22 N -0.64 -6.58 -4.56 -3.43 0.00 -1.26 -4.80 117.00 95.73 2khn n LEU 22 Ca 0.33 2.12 -0.39 0.00 0.00 0.00 0.00 56.01 58.07 2khn n LEU 22 Cb 1.14 -3.31 -0.03 0.00 0.00 0.00 0.00 43.42 41.21 2khn n LEU 22 CO 0.28 -3.88 1.43 -1.81 0.00 0.00 0.00 177.39 173.42 2khn s ASP 23 N -0.89 6.30 -0.10 1.96 1.01 -1.26 -4.57 116.67 119.11 2khn s ASP 23 Ca -0.23 -1.24 0.05 0.00 0.71 0.00 0.00 52.55 51.85 2khn s ASP 23 Cb 0.02 -2.57 -0.10 0.00 1.01 0.00 0.00 42.92 41.28 2khn s ASP 23 CO 0.80 -1.69 -0.02 0.41 0.21 0.00 0.00 175.17 174.88 2khn n THR 24 N 6.95 0.66 0.52 -1.27 -1.04 -1.26 -4.48 114.28 114.35 2khn n THR 24 Ca 0.30 -0.34 0.13 0.00 -2.04 0.00 0.00 64.05 62.10 2khn n THR 24 Cb 0.50 -0.82 0.31 0.00 -1.82 0.00 0.00 70.33 68.51 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 -4.41 -1.42 4.06 -1.96 -3.46 115.95 108.75 2khn h TRP 25 Ca -0.26 0.00 -0.50 0.00 2.06 0.00 0.00 58.89 60.19 2khn h TRP 25 Cb 1.51 0.00 0.08 0.00 -1.00 0.00 0.00 29.16 29.75 2khn h TRP 25 CO 0.01 0.00 0.41 0.00 -3.56 0.00 0.00 178.44 175.29 2khn s ALA 26 N -3.14 2.89 -1.03 1.49 0.00 -1.26 -4.46 121.76 116.25 2khn s ALA 26 Ca 0.09 -0.22 -0.12 0.00 0.00 0.00 0.00 51.96 51.71 2khn s ALA 26 Cb 0.11 -3.06 0.23 0.00 0.00 0.00 0.00 23.12 20.40 2khn s ALA 26 CO 0.63 -1.04 1.06 0.42 0.00 0.00 0.00 175.76 176.84 2khn s ILE 27 N -3.26 5.63 0.90 0.00 1.01 -1.26 -4.92 121.20 119.29 2khn s ILE 27 Ca 0.57 -2.86 -0.11 0.00 0.00 0.00 0.00 60.65 58.25 2khn s ILE 27 Cb -0.11 -4.63 0.13 0.00 0.01 0.00 0.00 42.46 37.86 2khn s ILE 27 CO 0.53 -1.24 1.09 -0.89 0.00 0.00 0.00 174.94 174.43 2khn s THR 28 N -0.06 2.66 0.40 2.92 2.01 -1.26 -4.70 115.64 117.61 2khn s THR 28 Ca 0.29 0.21 0.12 0.00 0.31 0.00 0.00 61.69 62.63 2khn s THR 28 Cb -0.08 -2.61 0.33 0.00 0.01 0.00 0.00 72.50 70.15 2khn s THR 28 CO -0.07 -0.28 1.93 1.62 -0.69 0.00 0.00 174.62 177.13 2khn h VAL 29 N -1.60 0.87 -0.56 3.82 3.04 -1.99 0.36 116.25 120.20 2khn h VAL 29 Ca -0.49 -0.18 -0.09 0.00 -1.01 0.00 0.00 66.70 64.94 2khn h VAL 29 Cb 1.28 0.29 -0.02 0.00 -2.01 0.00 0.00 31.29 30.83 2khn h VAL 29 CO 0.52 0.10 0.00 -0.33 -1.01 0.00 0.00 177.57 176.85 2khn h GLU 30 N 0.53 0.96 -0.01 4.17 5.08 -1.99 -1.86 114.58 121.46 2khn h GLU 30 Ca 0.35 -0.28 -0.15 0.00 -1.00 0.00 0.00 59.36 58.28 2khn h GLU 30 Cb 0.64 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 2khn h GLU 30 CO -0.12 0.94 -0.69 0.93 -1.00 0.00 0.00 179.01 179.07 2khn h GLU 31 N 0.88 0.04 -0.34 2.33 4.39 -1.18 -2.57 114.58 118.14 2khn h GLU 31 Ca 0.16 -0.03 0.04 0.00 0.34 0.00 0.00 59.36 59.87 2khn h GLU 31 Cb 0.52 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.13 2khn h GLU 31 CO 0.03 0.71 0.11 -0.09 -1.16 0.00 0.00 179.01 178.61 2khn h ARG 32 N 0.02 0.25 0.00 2.33 1.12 -0.08 -1.80 114.38 116.23 2khn h ARG 32 Ca -0.01 -0.02 0.00 0.00 -1.11 0.00 0.00 59.98 58.85 2khn h ARG 32 Cb 1.22 -0.06 0.00 0.00 -0.01 0.00 0.00 29.97 31.12 2khn h ARG 32 CO 0.09 0.17 0.00 0.00 -3.11 0.00 0.00 179.97 177.12 2khn h ALA 33 N 1.22 1.00 -0.13 2.80 0.00 -0.95 -2.40 119.26 120.80 2khn h ALA 33 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2khn h ALA 33 Cb 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2khn h ALA 33 CO -0.16 0.00 0.08 0.87 0.00 0.00 0.00 179.25 180.04 2khn h LYS 34 N 0.00 0.17 0.00 0.00 1.79 -1.07 -2.25 116.57 115.21 2khn h LYS 34 Ca 0.00 -0.01 -0.16 0.00 -2.18 0.00 0.00 60.65 58.30 2khn h LYS 34 Cb 0.07 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.66 2khn h LYS 34 CO 0.00 0.14 -0.77 1.12 -1.08 0.00 0.00 179.45 178.86 2khn h HIS 35 N 0.16 0.00 -0.23 -1.35 2.07 -1.53 -1.58 115.15 112.69 2khn h HIS 35 Ca 0.05 0.00 -0.09 0.00 -2.85 0.00 0.00 60.37 57.48 2khn h HIS 35 Cb 0.00 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 29.98 2khn h HIS 35 CO -0.06 0.77 -0.19 -0.44 -3.07 0.00 0.00 177.93 174.93 2khn h ASP 36 N 0.00 0.56 0.07 3.10 5.19 -1.57 -2.94 116.42 120.84 2khn h ASP 36 Ca -0.01 -0.46 -0.00 0.00 -0.62 0.00 0.00 57.03 55.94 2khn h ASP 36 Cb 1.44 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 40.79 2khn h ASP 36 CO 0.10 0.91 -0.04 -0.61 -3.12 0.00 0.00 179.24 176.48 2khn h GLN 37 N 0.23 -0.10 -0.62 3.56 4.15 -1.37 -3.00 115.11 117.97 2khn h GLN 37 Ca 0.04 0.01 -0.05 0.00 0.77 0.00 0.00 58.65 59.41 2khn h GLN 37 Cb 0.74 0.02 -0.03 0.00 0.21 0.00 0.00 27.48 28.42 2khn h GLN 37 CO 0.05 0.37 0.16 1.96 -1.93 0.00 0.00 178.83 179.45 2khn h GLN 38 N -0.95 0.95 -0.60 1.69 7.50 -1.44 0.21 115.11 122.47 2khn h GLN 38 Ca -0.01 -0.20 -0.06 0.00 0.50 0.00 0.00 58.65 58.88 2khn h GLN 38 Cb 0.51 -0.14 -0.03 0.00 0.05 0.00 0.00 27.48 27.88 2khn h GLN 38 CO 0.02 0.84 0.14 0.35 -1.50 0.00 0.00 178.83 178.68 2khn h PHE 39 N 0.91 0.96 -0.16 2.96 3.57 -1.66 0.11 116.94 123.63 2khn h PHE 39 Ca 0.20 -0.10 -0.15 0.00 3.53 0.00 0.00 57.97 61.45 2khn h PHE 39 Cb 0.31 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.76 2khn h PHE 39 CO 0.02 0.80 -0.52 1.25 -2.23 0.00 0.00 178.31 177.62 2khn h HIS 40 N 0.89 0.57 0.00 0.41 2.76 -1.14 -2.82 115.15 115.82 2khn h HIS 40 Ca 0.19 -0.20 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2khn h HIS 40 Cb 0.32 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 29.17 2khn h HIS 40 CO 0.02 0.89 0.00 1.03 -1.30 0.00 0.00 177.93 178.57 2khn h SER 41 N 0.36 0.00 -0.05 3.26 0.87 -0.17 -3.08 113.55 114.74 2khn h SER 41 Ca 0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 2khn h SER 41 Cb 1.04 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.00 2khn h SER 41 CO 0.09 0.00 0.00 -0.11 -0.53 0.00 0.00 176.83 176.28 2khn n LEU 42 N -2.91 0.51 -2.98 2.23 0.00 -0.01 -4.95 117.00 108.89 2khn n LEU 42 Ca 0.03 -0.21 -0.10 0.00 0.00 0.00 0.00 56.01 55.73 2khn n LEU 42 Cb 0.42 -0.03 0.01 0.00 0.00 0.00 0.00 43.42 43.82 2khn n LEU 42 CO 0.30 0.11 0.07 0.29 0.00 0.00 0.00 177.39 178.16 2khn n LYS 43 N -0.46 -2.10 -2.35 1.96 4.01 -1.16 -4.95 118.16 113.11 2khn n LYS 43 Ca 0.15 1.90 -0.41 0.00 -0.51 0.00 0.00 58.31 59.44 2khn n LYS 43 Cb 0.15 -5.27 -0.03 0.00 -0.51 0.00 0.00 35.03 29.36 2khn n LYS 43 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 2khn s PRO 44 N -2.74 4.51 -0.43 1.97 0.04 -1.25 -5.00 135.00 132.10 2khn s PRO 44 Ca 0.20 1.93 -0.19 0.00 0.04 0.00 0.00 61.00 62.98 2khn s PRO 44 Cb -0.05 -3.19 0.02 0.00 0.04 0.00 0.00 34.50 31.32 2khn s PRO 44 CO 0.78 -0.01 0.56 0.42 0.04 0.00 0.00 177.00 178.78 2khn s ILE 45 N -0.64 4.94 0.00 0.56 -1.09 -0.94 -4.71 121.20 119.32 2khn s ILE 45 Ca 0.49 -0.05 0.00 0.00 -2.23 0.00 0.00 60.65 58.87 2khn s ILE 45 Cb -0.34 -4.13 0.00 0.00 -1.58 0.00 0.00 42.46 36.41 2khn s ILE 45 CO 0.41 -0.51 0.00 -1.20 -1.23 0.00 0.00 174.94 172.42 2khn n SER 46 N 5.98 0.00 -1.01 3.58 7.64 -1.26 -1.96 113.62 126.59 2khn n SER 46 Ca -0.04 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.81 2khn n SER 46 Cb 0.48 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.66 2khn n SER 46 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2khn n GLY 47 N 0.00 0.18 3.61 0.23 0.00 -1.26 -5.15 105.19 102.80 2khn n GLY 47 Ca 0.00 -0.02 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 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 0.01 0.49 0.00 1.61 -0.12 -0.83 -4.90 117.98 114.24 2khn s PHE 48 Ca 0.01 -0.87 0.00 0.00 -0.05 0.00 0.00 56.93 56.02 2khn s PHE 48 Cb 0.04 0.25 0.00 0.00 -0.63 0.00 0.00 43.02 42.68 2khn s PHE 48 CO -0.01 -1.14 0.00 0.44 -0.05 0.00 0.00 175.22 174.45 2khn n ILE 49 N -0.46 0.00 -4.02 -4.49 -5.35 -1.26 -2.20 119.36 101.58 2khn n ILE 49 Ca -0.02 0.00 -0.10 0.00 -0.27 0.00 0.00 62.75 62.36 2khn n ILE 49 Cb 0.61 0.00 -0.07 0.00 -1.74 0.00 0.00 39.64 38.44 2khn n ILE 49 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 2khn s THR 50 N -1.72 0.03 0.39 7.28 -1.32 -1.26 -4.89 115.64 114.14 2khn s THR 50 Ca 0.00 -1.50 0.10 0.00 -1.21 0.00 0.00 61.69 59.08 2khn s THR 50 Cb 0.00 -2.09 0.32 0.00 -1.51 0.00 0.00 72.50 69.21 2khn s THR 50 CO 0.00 -0.13 1.93 1.23 -2.21 0.00 0.00 174.62 175.45 2khn h GLY 51 N 2.44 0.89 0.93 6.08 0.00 -1.80 -1.60 103.07 110.01 2khn h GLY 51 Ca -0.30 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 46.77 2khn h GLY 51 CO 0.44 0.14 -0.15 -1.80 0.00 0.00 0.00 176.54 175.17 2khn h ASP 52 N 0.61 -0.37 -0.24 0.19 3.58 -1.96 0.50 116.42 118.73 2khn h ASP 52 Ca 0.35 0.02 -0.05 0.00 0.42 0.00 0.00 57.03 57.77 2khn h ASP 52 Cb 0.53 0.11 -0.02 0.00 1.72 0.00 0.00 39.33 41.67 2khn h ASP 52 CO -0.12 -0.24 -0.01 1.56 -2.88 0.00 0.00 179.24 177.54 2khn h GLN 53 N -0.38 0.54 0.45 0.28 4.20 -1.83 -0.34 115.11 118.03 2khn h GLN 53 Ca -0.02 -0.12 -0.02 0.00 0.06 0.00 0.00 58.65 58.54 2khn h GLN 53 Cb 0.32 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.03 2khn h GLN 53 CO 0.02 0.58 -0.22 0.00 -0.67 0.00 0.00 178.83 178.54 2khn h ALA 54 N 1.48 -0.60 -0.30 3.87 0.00 -0.98 -1.14 119.26 121.58 2khn h ALA 54 Ca 0.11 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 2khn h ALA 54 Cb 0.35 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2khn h ALA 54 CO 0.01 -0.74 -0.02 0.07 0.00 0.00 0.00 179.25 178.57 2khn h ARG 55 N -0.80 0.47 -0.03 0.00 -0.00 -0.73 -0.46 114.38 112.82 2khn h ARG 55 Ca -0.06 -0.10 -0.00 0.00 -0.00 0.00 0.00 59.98 59.82 2khn h ARG 55 Cb 0.55 -0.07 -0.00 0.00 -0.00 0.00 0.00 29.97 30.45 2khn h ARG 55 CO 0.10 0.51 0.01 -0.97 -0.00 0.00 0.00 179.97 179.62 2khn h ASN 56 N 0.45 0.05 -0.17 0.08 -0.73 -1.02 -0.50 115.58 113.74 2khn h ASN 56 Ca 0.10 -0.22 -0.01 0.00 1.87 0.00 0.00 56.30 58.04 2khn h ASN 56 Cb 0.33 -0.01 -0.01 0.00 0.27 0.00 0.00 38.32 38.90 2khn h ASN 56 CO 0.01 0.26 0.08 0.15 -0.37 0.00 0.00 177.43 177.56 2khn h PHE 57 N -0.17 0.25 -0.34 0.67 3.04 -0.83 0.22 116.94 119.77 2khn h PHE 57 Ca 0.01 -0.01 0.03 0.00 3.98 0.00 0.00 57.97 61.98 2khn h PHE 57 Cb 0.23 -0.08 -0.03 0.00 2.56 0.00 0.00 35.95 38.63 2khn h PHE 57 CO 0.00 0.28 0.14 0.74 -2.02 0.00 0.00 178.31 177.45 2khn h PHE 58 N 0.14 0.25 -0.15 0.41 0.04 -1.09 -2.24 116.94 114.31 2khn h PHE 58 Ca 0.06 0.02 -0.06 0.00 2.80 0.00 0.00 57.97 60.79 2khn h PHE 58 Cb 0.13 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.21 2khn h PHE 58 CO -0.02 0.12 -0.17 0.35 -0.60 0.00 0.00 178.31 177.98 2khn h PHE 59 N 0.30 0.26 -0.01 -0.55 3.57 -0.88 -2.52 116.94 117.11 2khn h PHE 59 Ca 0.15 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.62 2khn h PHE 59 Cb 0.10 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 38.77 2khn h PHE 59 CO -0.13 0.42 0.01 0.37 -2.23 0.00 0.00 178.31 176.75 2khn h GLN 60 N 0.23 0.00 0.00 1.11 -0.00 -0.32 -1.17 115.11 114.96 2khn h GLN 60 Ca 0.04 0.00 -0.06 0.00 -0.00 0.00 0.00 58.65 58.63 2khn h GLN 60 Cb 0.45 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 27.92 2khn h GLN 60 CO 0.03 0.00 -0.28 0.66 0.00 0.00 0.00 178.83 179.24 2khn h SER 61 N 0.00 0.00 0.00 -0.69 4.64 -1.36 -3.46 113.55 112.67 2khn h SER 61 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2khn h SER 61 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 2khn h SER 61 CO -0.00 0.28 0.00 0.61 -0.87 0.00 0.00 176.83 176.85 2khn n GLY 62 N 0.38 0.94 3.77 -0.77 0.00 -0.44 -5.11 105.19 103.96 2khn n GLY 62 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 4.46 0.74 0.99 1.43 -1.25 -5.07 118.68 119.98 2khn s LEU 63 Ca 0.00 1.83 -0.09 0.00 -1.03 0.00 0.00 54.13 54.84 2khn s LEU 63 Cb 0.00 -3.79 0.06 0.00 0.03 0.00 0.00 46.19 42.49 2khn s LEU 63 CO 0.00 0.04 1.08 -2.84 0.23 0.00 0.00 176.35 174.85 2khn s PRO 64 N -1.69 2.16 0.19 1.29 0.02 -1.26 -4.38 135.00 131.34 2khn s PRO 64 Ca 0.45 -0.08 -0.16 0.00 0.02 0.00 0.00 61.00 61.24 2khn s PRO 64 Cb -0.21 -2.09 0.17 0.00 0.02 0.00 0.00 34.50 32.40 2khn s PRO 64 CO 0.26 -1.35 1.64 1.96 -0.33 0.00 0.00 177.00 179.18 2khn h GLN 65 N -0.76 -0.03 0.00 5.54 7.50 -1.99 0.49 115.11 125.87 2khn h GLN 65 Ca -0.45 0.00 0.00 0.00 0.50 0.00 0.00 58.65 58.70 2khn h GLN 65 Cb 1.32 0.01 0.00 0.00 0.05 0.00 0.00 27.48 28.85 2khn h GLN 65 CO 0.63 -0.02 0.11 -1.35 -1.50 0.00 0.00 178.83 176.70 2khn h PRO 66 N -0.03 0.00 0.01 1.46 0.11 -2.00 -0.85 132.00 130.70 2khn h PRO 66 Ca 0.26 0.00 -0.37 0.00 0.11 0.00 0.00 66.00 65.99 2khn h PRO 66 Cb 0.42 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.47 2khn h PRO 66 CO -0.57 0.00 -2.34 0.28 -0.21 0.00 0.00 178.00 175.16 2khn n VAL 67 N -2.53 1.49 0.32 3.15 0.31 0.03 -3.92 118.33 117.18 2khn n VAL 67 Ca -0.02 -0.70 -0.16 0.00 -0.01 0.00 0.00 64.34 63.44 2khn n VAL 67 Cb 0.15 -1.07 -0.08 0.00 -0.91 0.00 0.00 33.84 31.93 2khn n VAL 67 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2khn h LEU 68 N 0.01 -0.67 -1.69 7.52 3.38 0.15 -0.83 115.31 123.18 2khn h LEU 68 Ca -0.53 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.40 2khn h LEU 68 Cb 2.05 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.97 2khn h LEU 68 CO -0.02 -0.41 -0.03 0.00 0.09 0.00 0.00 178.44 178.08 2khn h ALA 69 N -0.55 1.75 -0.59 1.53 0.00 -1.61 -1.10 119.26 118.70 2khn h ALA 69 Ca -0.08 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 2khn h ALA 69 Cb 0.65 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2khn h ALA 69 CO 0.13 0.19 -0.01 0.37 0.00 0.00 0.00 179.25 179.94 2khn h GLN 70 N 0.16 1.04 -0.22 0.00 -0.00 -1.60 0.36 115.11 114.85 2khn h GLN 70 Ca 0.04 -0.32 -0.10 0.00 -0.00 0.00 0.00 58.65 58.27 2khn h GLN 70 Cb 0.16 -0.10 -0.00 0.00 0.00 0.00 0.00 27.48 27.54 2khn h GLN 70 CO 0.01 1.02 -0.24 0.82 0.00 0.00 0.00 178.83 180.43 2khn h ILE 71 N 0.95 1.32 -0.04 2.39 2.04 -0.39 -2.42 117.51 121.36 2khn h ILE 71 Ca 0.17 -1.42 -0.00 0.00 1.00 0.00 0.00 64.86 64.61 2khn h ILE 71 Cb 0.55 1.74 -0.00 0.00 -0.74 0.00 0.00 36.82 38.37 2khn h ILE 71 CO 0.03 0.44 0.02 -0.25 0.00 0.00 0.00 178.15 178.39 2khn h TRP 72 N 0.23 0.06 0.00 1.37 7.01 -1.03 -1.05 115.95 122.54 2khn h TRP 72 Ca 0.03 -0.00 -0.03 0.00 2.11 0.00 0.00 58.89 61.00 2khn h TRP 72 Cb 0.80 -0.02 -0.00 0.00 -2.10 0.00 0.00 29.16 27.84 2khn h TRP 72 CO 0.08 0.15 -0.14 0.00 -2.79 0.00 0.00 178.44 175.75 2khn h ALA 73 N 0.90 1.58 -0.03 2.65 0.00 -0.33 0.71 119.26 124.73 2khn h ALA 73 Ca 0.01 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 2khn h ALA 73 Cb 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2khn h ALA 73 CO -0.00 0.17 -0.19 1.25 0.00 0.00 0.00 179.25 180.48 2khn h LEU 74 N 0.00 0.22 0.00 0.00 6.46 -1.07 -3.36 115.31 117.56 2khn h LEU 74 Ca -0.00 -0.68 -0.23 0.00 -0.12 0.00 0.00 57.88 56.84 2khn h LEU 74 Cb 0.28 -0.07 -0.03 0.00 -0.73 0.00 0.00 40.66 40.11 2khn h LEU 74 CO 0.02 0.87 -1.19 0.00 -0.62 0.00 0.00 178.44 177.52 2khn h ALA 75 N 0.36 0.45 -0.90 1.25 0.00 -0.82 -3.41 119.26 116.19 2khn h ALA 75 Ca -0.02 -1.05 -0.55 0.00 0.00 0.00 0.00 54.91 53.29 2khn h ALA 75 Cb 0.87 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.59 2khn h ALA 75 CO 0.04 1.33 1.55 0.34 0.00 0.00 0.00 179.25 182.51 2khn s ASP 76 N -6.57 6.23 0.15 0.00 -1.08 0.21 -4.67 116.67 110.95 2khn s ASP 76 Ca -0.01 -1.66 -0.22 0.00 -0.52 0.00 0.00 52.55 50.14 2khn s ASP 76 Cb 0.09 -2.57 0.03 0.00 -1.46 0.00 0.00 42.92 39.01 2khn s ASP 76 CO 0.82 -1.77 1.63 0.24 0.52 0.00 0.00 175.17 176.61 2khn h MET 77 N 9.33 -0.24 -0.01 4.34 2.86 -1.86 -1.93 114.93 127.43 2khn h MET 77 Ca 0.26 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.92 2khn h MET 77 Cb 0.96 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.67 2khn h MET 77 CO 1.38 -0.16 -0.40 0.27 1.06 0.00 0.00 176.91 179.06 2khn n ASN 78 N -5.38 0.98 -3.21 1.22 6.94 -1.26 -4.98 115.26 109.57 2khn n ASN 78 Ca -0.01 -0.78 -0.08 0.00 -0.02 0.00 0.00 54.58 53.69 2khn n ASN 78 Cb 0.29 0.26 0.00 0.00 -2.36 0.00 0.00 39.78 37.98 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 -0.89 -7.09 0.13 0.53 4.05 -0.73 -4.92 115.26 106.35 2khn n ASN 79 Ca 0.09 -0.19 0.01 0.00 0.45 0.00 0.00 54.58 54.94 2khn n ASN 79 Cb 0.36 -4.38 0.05 0.00 1.23 0.00 0.00 39.78 37.04 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 0.56 0.00 0.00 1.20 3.58 -1.94 -3.47 116.42 116.35 2khn h ASP 80 Ca -0.16 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.29 2khn h ASP 80 Cb 1.11 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.16 2khn h ASP 80 CO 0.30 0.59 0.00 0.61 -2.88 0.00 0.00 179.24 177.86 2khn n GLY 81 N 1.05 3.31 0.04 -0.78 0.00 -1.26 -4.71 105.19 102.84 2khn n GLY 81 Ca 0.01 0.00 -0.04 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 -1.38 2.42 -1.79 1.61 3.00 -1.26 -3.89 116.66 115.36 2khn n ARG 82 Ca 0.00 -0.01 -0.01 0.00 -0.01 0.00 0.00 57.85 57.82 2khn n ARG 82 Cb 0.00 -1.22 -0.01 0.00 0.00 0.00 0.00 32.46 31.24 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 -2.28 -2.72 -1.10 5.56 0.00 -1.26 -4.43 117.12 110.89 2khn n MET 83 Ca -0.13 2.22 -0.31 0.00 -0.00 0.00 0.00 57.70 59.48 2khn n MET 83 Cb 0.74 -2.85 0.12 0.00 0.00 0.00 0.00 33.22 31.23 2khn n MET 83 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 2khn s ASP 84 N -0.33 3.91 0.54 6.12 2.15 -1.26 -4.59 116.67 123.21 2khn s ASP 84 Ca -0.03 1.86 0.20 0.00 0.43 0.00 0.00 52.55 55.01 2khn s ASP 84 Cb 0.00 -2.48 1.42 0.00 -0.30 0.00 0.00 42.92 41.56 2khn s ASP 84 CO 0.09 -2.42 2.18 1.56 -0.17 0.00 0.00 175.17 176.40 2khn h GLN 85 N -1.40 0.00 -0.06 4.34 1.08 -1.94 0.51 115.11 117.64 2khn h GLN 85 Ca -0.45 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 56.73 2khn h GLN 85 Cb 1.25 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.68 2khn h GLN 85 CO 0.49 0.00 -0.07 0.28 -0.95 0.00 0.00 178.83 178.58 2khn h VAL 86 N 0.00 1.39 -0.72 -0.54 2.07 -1.99 -0.58 116.25 115.87 2khn h VAL 86 Ca -0.00 -1.27 -0.04 0.00 0.82 0.00 0.00 66.70 66.21 2khn h VAL 86 Cb 0.01 2.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.84 2khn h VAL 86 CO 0.00 0.35 0.30 -0.33 0.02 0.00 0.00 177.57 177.91 2khn h GLU 87 N -0.30 1.07 0.00 1.57 3.07 -1.54 -2.01 114.58 116.44 2khn h GLU 87 Ca 0.01 -0.19 -0.01 0.00 -0.50 0.00 0.00 59.36 58.67 2khn h GLU 87 Cb 0.60 -0.18 -0.00 0.00 -0.84 0.00 0.00 28.75 28.33 2khn h GLU 87 CO 0.02 0.87 -0.04 0.35 -1.40 0.00 0.00 179.01 178.81 2khn h PHE 88 N 1.03 0.00 -0.37 4.33 3.57 0.00 -2.63 116.94 122.87 2khn h PHE 88 Ca 0.24 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.72 2khn h PHE 88 Cb 0.19 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.91 2khn h PHE 88 CO 0.01 0.04 0.12 0.77 -2.23 0.00 0.00 178.31 177.03 2khn h SER 89 N 0.00 0.47 1.76 0.41 0.02 -0.31 -2.56 113.55 113.34 2khn h SER 89 Ca -0.00 -0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 60.88 2khn h SER 89 Cb 0.07 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.49 2khn h SER 89 CO 0.00 0.45 -0.25 -0.29 -1.14 0.00 0.00 176.83 175.61 2khn h ILE 90 N 0.52 0.11 0.00 3.27 2.10 -1.52 -3.12 117.51 118.88 2khn h ILE 90 Ca 0.13 -1.17 0.00 0.00 1.08 0.00 0.00 64.86 64.90 2khn h ILE 90 Cb 0.15 1.97 0.00 0.00 -1.09 0.00 0.00 36.82 37.85 2khn h ILE 90 CO -0.01 0.06 0.00 0.00 -1.08 0.00 0.00 178.15 177.12 2khn h ALA 91 N 1.93 1.00 -0.82 0.18 0.00 -1.51 -3.33 119.26 116.71 2khn h ALA 91 Ca -0.00 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.93 2khn h ALA 91 Cb 1.06 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.80 2khn h ALA 91 CO 0.01 0.00 0.53 0.52 0.00 0.00 0.00 179.25 180.31 2khn h MET 92 N 0.00 1.01 0.03 0.00 2.86 -1.49 -2.22 114.93 115.11 2khn h MET 92 Ca 0.00 -0.06 -0.21 0.00 -2.06 0.00 0.00 59.70 57.37 2khn h MET 92 Cb 0.77 -0.23 -0.02 0.00 0.06 0.00 0.00 31.60 32.18 2khn h MET 92 CO 0.00 0.67 -0.99 1.57 1.06 0.00 0.00 176.91 179.22 2khn h LYS 93 N 1.04 0.10 -0.56 1.72 2.10 -1.79 -3.35 116.57 115.83 2khn h LYS 93 Ca 0.32 -0.14 0.02 0.00 -2.00 0.00 0.00 60.65 58.86 2khn h LYS 93 Cb -0.02 0.05 -0.04 0.00 -0.90 0.00 0.00 32.23 31.32 2khn h LYS 93 CO -0.10 1.00 0.34 -0.07 -2.00 0.00 0.00 179.45 178.61 2khn h LEU 94 N 0.04 0.56 0.25 7.07 4.07 -1.55 0.13 115.31 125.87 2khn h LEU 94 Ca -0.04 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.92 2khn h LEU 94 Cb 1.69 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 43.30 2khn h LEU 94 CO 0.14 0.39 -0.21 0.40 -1.08 0.00 0.00 178.44 178.09 2khn h ILE 95 N 0.68 0.55 0.00 1.22 2.04 -1.65 0.15 117.51 120.50 2khn h ILE 95 Ca 0.22 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.98 2khn h ILE 95 Cb 0.01 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 2khn h ILE 95 CO -0.09 0.00 -0.50 0.11 0.00 0.00 0.00 178.15 177.67 2khn h LYS 96 N -0.47 0.00 -0.10 2.37 1.79 -1.69 -2.63 116.57 115.84 2khn h LYS 96 Ca -0.01 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 58.26 2khn h LYS 96 Cb 0.42 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.07 2khn h LYS 96 CO -0.02 0.50 -0.77 1.25 -1.08 0.00 0.00 179.45 179.32 2khn h LEU 97 N 0.00 0.64 -0.66 2.94 5.85 -0.13 -1.84 115.31 122.11 2khn h LEU 97 Ca -0.00 -0.43 -0.14 0.00 0.84 0.00 0.00 57.88 58.14 2khn h LEU 97 Cb 0.93 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 2khn h LEU 97 CO 0.06 1.19 -0.59 0.11 -0.34 0.00 0.00 178.44 178.88 2khn h LYS 98 N 0.36 0.27 0.00 1.25 1.57 -0.67 -1.03 116.57 118.33 2khn h LYS 98 Ca -0.04 -0.18 -0.05 0.00 -1.87 0.00 0.00 60.65 58.51 2khn h LYS 98 Cb 1.36 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.69 2khn h LYS 98 CO 0.14 0.78 -0.22 -0.07 -0.57 0.00 0.00 179.45 179.51 2khn h LEU 99 N 0.20 0.00 -0.20 2.94 3.38 -1.28 -2.01 115.31 118.35 2khn h LEU 99 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 2khn h LEU 99 Cb 1.09 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 2khn h LEU 99 CO 0.09 0.22 -0.02 1.56 0.09 0.00 0.00 178.44 180.38 2khn h GLN 100 N 0.00 0.00 0.00 1.13 4.20 -0.87 -3.47 115.11 116.10 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 0.39 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.17 2khn h GLN 100 CO 0.03 0.02 0.00 0.41 -0.67 0.00 0.00 178.83 178.62 2khn n GLY 101 N 0.96 1.22 3.86 3.46 0.00 -0.76 -5.10 105.19 108.84 2khn n GLY 101 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 2khn n GLY 101 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2khn s TYR 102 N -1.23 3.52 -0.29 1.61 1.51 -0.43 -4.95 117.35 117.09 2khn s TYR 102 Ca 0.00 1.33 -0.20 0.00 -1.01 0.00 0.00 57.07 57.19 2khn s TYR 102 Cb 0.00 -2.71 0.17 0.00 -0.11 0.00 0.00 41.96 39.31 2khn s TYR 102 CO 0.00 -0.46 1.16 -1.14 -1.11 0.00 0.00 175.55 174.00 2khn s GLN 103 N -4.49 0.26 0.08 -0.62 0.74 -1.26 -3.54 119.66 110.82 2khn s GLN 103 Ca 0.56 0.37 -0.01 0.00 0.05 0.00 0.00 55.36 56.34 2khn s GLN 103 Cb -0.10 0.09 -0.04 0.00 1.10 0.00 0.00 33.01 34.05 2khn s GLN 103 CO 0.40 -0.04 -0.00 -0.51 -0.55 0.00 0.00 175.29 174.59 2khn s LEU 104 N 0.72 2.24 0.00 3.68 1.43 -1.26 -5.16 118.68 120.33 2khn s LEU 104 Ca -0.02 -1.08 0.00 0.00 -1.03 0.00 0.00 54.13 52.00 2khn s LEU 104 Cb -0.04 0.21 0.00 0.00 0.03 0.00 0.00 46.19 46.39 2khn s LEU 104 CO -0.12 -0.63 0.00 -2.65 0.23 0.00 0.00 176.35 173.18 2khn n PRO 105 N 0.02 -0.77 0.00 1.29 -0.02 -1.26 -4.88 135.00 129.38 2khn n PRO 105 Ca -0.11 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.48 2khn n PRO 105 Cb 0.62 0.00 0.58 0.00 -0.02 0.00 0.00 33.50 34.68 2khn n PRO 105 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2khn n SER 106 N -2.52 0.00 -4.32 2.55 7.64 -1.26 -4.36 113.62 111.35 2khn n SER 106 Ca 0.00 -0.30 -0.46 0.00 1.01 0.00 0.00 58.87 59.11 2khn n SER 106 Cb 0.00 -0.16 -0.04 0.00 -1.01 0.00 0.00 64.21 62.99 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 -2.32 3.74 0.40 -0.43 0.00 -1.26 -4.86 121.76 117.03 2khn s ALA 107 Ca 0.26 -2.71 -0.16 0.00 0.00 0.00 0.00 51.96 49.35 2khn s ALA 107 Cb 0.15 -3.33 -0.09 0.00 0.00 0.00 0.00 23.12 19.85 2khn s ALA 107 CO 0.29 -2.08 0.84 -0.48 0.00 0.00 0.00 175.76 174.33 2khn s LEU 108 N 1.30 3.91 0.71 0.00 0.05 -1.26 -5.04 118.68 118.34 2khn s LEU 108 Ca 0.06 1.40 -0.15 0.00 0.05 0.00 0.00 54.13 55.49 2khn s LEU 108 Cb -0.26 -4.26 0.03 0.00 -2.05 0.00 0.00 46.19 39.65 2khn s LEU 108 CO 0.00 -0.35 1.20 -2.16 -0.55 0.00 0.00 176.35 174.49 2khn s PRO 109 N -3.40 2.30 0.61 1.48 0.04 -1.26 -4.91 135.00 129.85 2khn s PRO 109 Ca 0.56 1.73 0.35 0.00 0.04 0.00 0.00 61.00 63.68 2khn s PRO 109 Cb -0.10 -1.86 1.99 0.00 0.04 0.00 0.00 34.50 34.57 2khn s PRO 109 CO 0.22 -1.71 2.27 -1.35 0.04 0.00 0.00 177.00 176.47 2khn h PRO 110 N -0.13 0.00 0.00 0.56 0.11 -1.96 -1.22 132.00 129.36 2khn h PRO 110 Ca -0.48 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.58 2khn h PRO 110 Cb 1.29 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.39 2khn h PRO 110 CO 0.51 0.01 -0.24 0.28 -0.21 0.00 0.00 178.00 178.35 2khn h VAL 111 N 0.00 0.85 -0.02 3.15 2.07 -1.90 -0.01 116.25 120.38 2khn h VAL 111 Ca -0.00 -0.96 -0.02 0.00 0.82 0.00 0.00 66.70 66.55 2khn h VAL 111 Cb 0.06 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 2khn h VAL 111 CO 0.00 0.24 -0.05 0.24 0.02 0.00 0.00 177.57 178.02 2khn h MET 112 N 0.00 0.08 0.00 1.57 2.86 -1.43 -3.21 114.93 114.79 2khn h MET 112 Ca -0.00 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.55 2khn h MET 112 Cb 0.55 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.21 2khn h MET 112 CO 0.03 0.65 -0.17 1.57 1.06 0.00 0.00 176.91 180.04 2khn h LYS 113 N -0.48 0.00 0.00 1.72 2.10 -1.62 -3.47 116.57 114.82 2khn h LYS 113 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2khn h LYS 113 Cb 0.65 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.98 2khn h LYS 113 CO 0.01 0.17 0.00 1.04 -2.00 0.00 0.00 179.45 178.68 2khn n GLN 114 N -3.17 0.00 -3.17 0.07 6.02 -0.03 -4.65 117.38 112.45 2khn n GLN 114 Ca 0.03 0.00 -0.23 0.00 -0.01 0.00 0.00 57.00 56.79 2khn n GLN 114 Cb 0.55 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.75 2khn n GLN 114 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 2khn n GLN 115 N -1.28 0.68 -2.96 -1.09 7.27 -1.26 -4.90 117.38 113.84 2khn n GLN 115 Ca 0.00 -3.10 -0.44 0.00 0.07 0.00 0.00 57.00 53.52 2khn n GLN 115 Cb 0.00 -1.26 -0.01 0.00 2.41 0.00 0.00 30.24 31.38 2khn n GLN 115 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 2khn s PRO 116 N -0.95 3.98 0.24 3.69 0.05 -1.26 -5.01 135.00 135.74 2khn s PRO 116 Ca 0.35 -2.42 -0.27 0.00 0.05 0.00 0.00 61.00 58.70 2khn s PRO 116 Cb 0.16 -5.01 -0.09 0.00 0.05 0.00 0.00 34.50 29.62 2khn s PRO 116 CO -0.13 -1.75 0.88 0.54 0.05 0.00 0.00 177.00 176.60 2khn s VAL 117 N 1.71 4.22 0.00 -0.36 0.11 -1.26 -4.93 120.40 119.88 2khn s VAL 117 Ca 0.40 1.86 0.00 0.00 -2.93 0.00 0.00 61.98 61.31 2khn s VAL 117 Cb -0.04 -4.16 0.00 0.00 -1.53 0.00 0.00 36.38 30.65 2khn s VAL 117 CO -0.02 0.39 0.00 0.00 -3.33 0.00 0.00 175.10 172.14 2khn n ALA 118 N 1.22 2.37 -3.36 1.54 0.00 -1.26 -5.07 120.51 115.95 2khn n ALA 118 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.29 2khn n ALA 118 Cb 0.49 0.37 -0.12 0.00 0.00 0.00 0.00 19.45 20.18 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 -1.83 -0.02 -0.12 0.00 2.07 -1.26 -5.06 121.20 114.97 2khn s ILE 119 Ca 0.00 0.06 -0.23 0.00 -1.41 0.00 0.00 60.65 59.07 2khn s ILE 119 Cb 0.00 -0.35 -0.26 0.00 0.13 0.00 0.00 42.46 41.98 2khn s ILE 119 CO 0.00 0.03 0.65 0.28 -1.91 0.00 0.00 174.94 173.99 2khn h SER 120 N 6.36 0.19 0.00 4.50 0.02 -2.03 -3.55 113.55 119.05 2khn h SER 120 Ca -0.32 -0.87 0.00 0.00 -0.84 0.00 0.00 61.79 59.76 2khn h SER 120 Cb 1.18 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.66 2khn h SER 120 CO 0.37 1.32 0.00 -1.54 -1.14 0.00 0.00 176.83 175.84