#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 6.28 3.45 3.03 0.00 -1.26 -4.97 105.19 111.72 2khn n GLY 2 Ca 0.00 -2.56 -0.43 0.00 0.00 0.00 0.00 46.02 43.02 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 -3.62 2.72 0.09 1.61 4.02 -1.26 -5.02 115.29 113.84 2khn s HIS 3 Ca 0.53 -0.64 -0.27 0.00 1.02 0.00 0.00 55.06 55.70 2khn s HIS 3 Cb 0.42 -4.28 -0.06 0.00 -1.02 0.00 0.00 32.58 27.65 2khn s HIS 3 CO 0.03 -1.62 0.86 -1.58 1.02 0.00 0.00 174.74 173.45 2khn s HIS 4 N 3.89 3.79 -0.49 1.40 5.65 -1.26 -4.87 115.29 123.40 2khn s HIS 4 Ca 0.22 1.65 -0.27 0.00 0.25 0.00 0.00 55.06 56.91 2khn s HIS 4 Cb -0.16 -2.93 -0.05 0.00 -1.18 0.00 0.00 32.58 28.26 2khn s HIS 4 CO 0.08 0.27 2.19 -1.58 -0.65 0.00 0.00 174.74 175.05 2khn s HIS 5 N -0.15 1.30 -0.63 3.88 5.04 -1.26 -4.89 115.29 118.58 2khn s HIS 5 Ca 0.42 1.19 0.03 0.00 -1.54 0.00 0.00 55.06 55.16 2khn s HIS 5 Cb -0.22 -3.80 0.15 0.00 0.04 0.00 0.00 32.58 28.76 2khn s HIS 5 CO 0.27 -2.64 0.40 -1.58 -2.34 0.00 0.00 174.74 168.85 2khn s HIS 6 N 10.60 3.40 -0.30 3.88 2.46 -1.26 -4.97 115.29 129.09 2khn s HIS 6 Ca 0.88 -3.18 -0.16 0.00 0.47 0.00 0.00 55.06 53.07 2khn s HIS 6 Cb -0.18 -2.86 0.18 0.00 -0.13 0.00 0.00 32.58 29.60 2khn s HIS 6 CO 0.26 -0.68 1.14 -1.58 -2.47 0.00 0.00 174.74 171.41 2khn s HIS 7 N -0.77 -0.34 -0.01 3.88 5.04 -1.26 -5.12 115.29 116.71 2khn s HIS 7 Ca 0.21 0.45 -0.30 0.00 -1.54 0.00 0.00 55.06 53.88 2khn s HIS 7 Cb -0.16 0.15 -0.06 0.00 0.04 0.00 0.00 32.58 32.55 2khn s HIS 7 CO -0.07 -0.18 1.64 -1.58 -2.34 0.00 0.00 174.74 172.20 2khn s HIS 8 N 2.64 2.18 0.85 3.88 5.65 -1.26 -4.91 115.29 124.31 2khn s HIS 8 Ca -0.03 0.28 -0.11 0.00 0.25 0.00 0.00 55.06 55.45 2khn s HIS 8 Cb -0.07 -3.91 0.10 0.00 -1.18 0.00 0.00 32.58 27.53 2khn s HIS 8 CO -0.13 -3.76 1.13 0.45 -0.65 0.00 0.00 174.74 171.79 2khn s SER 9 N 2.95 3.60 -0.35 9.88 0.15 -1.26 -5.03 113.70 123.63 2khn s SER 9 Ca 0.73 2.08 0.00 0.00 0.70 0.00 0.00 55.95 59.46 2khn s SER 9 Cb -0.35 -2.55 0.14 0.00 -1.71 0.00 0.00 66.02 61.54 2khn s SER 9 CO 0.30 -2.65 0.23 -1.00 1.20 0.00 0.00 173.24 171.32 2khn s HIS 10 N -2.68 0.56 -0.23 3.44 3.76 -1.26 -5.10 115.29 113.78 2khn s HIS 10 Ca 0.65 -1.48 -0.08 0.00 -0.15 0.00 0.00 55.06 54.00 2khn s HIS 10 Cb -0.21 -0.84 0.10 0.00 1.11 0.00 0.00 32.58 32.74 2khn s HIS 10 CO 0.56 -0.85 0.50 0.00 -0.85 0.00 0.00 174.74 174.11 2khn s MET 11 N 1.17 0.42 0.00 1.40 0.00 -1.26 -4.84 119.30 116.19 2khn s MET 11 Ca 0.17 1.18 0.00 0.00 0.00 0.00 0.00 55.69 57.04 2khn s MET 11 Cb -0.22 0.51 0.00 0.00 0.00 0.00 0.00 34.83 35.12 2khn s MET 11 CO -0.01 -0.23 0.58 0.00 0.00 0.00 0.00 175.02 175.35 2khn n ALA 12 N 5.36 1.61 -2.95 3.16 0.00 -1.26 -5.05 120.51 121.38 2khn n ALA 12 Ca -0.10 -0.44 -0.44 0.00 0.00 0.00 0.00 53.44 52.46 2khn n ALA 12 Cb 0.50 -0.16 -0.03 0.00 0.00 0.00 0.00 19.45 19.75 2khn n ALA 12 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2khn s GLN 13 N 0.00 3.32 0.05 0.00 -0.21 -1.26 -5.02 119.66 116.54 2khn s GLN 13 Ca 0.00 -1.37 -0.25 0.00 0.02 0.00 0.00 55.36 53.76 2khn s GLN 13 Cb 0.00 -4.53 -0.05 0.00 1.00 0.00 0.00 33.01 29.43 2khn s GLN 13 CO 0.00 -1.73 0.78 -0.59 -2.12 0.00 0.00 175.29 171.63 2khn s PHE 14 N 3.10 3.74 0.22 0.91 -0.71 -1.26 -5.04 117.98 118.95 2khn s PHE 14 Ca 0.24 1.49 -0.30 0.00 -1.04 0.00 0.00 56.93 57.33 2khn s PHE 14 Cb -0.13 -2.83 -0.09 0.00 -1.21 0.00 0.00 43.02 38.76 2khn s PHE 14 CO 0.01 0.27 1.20 -2.14 -1.34 0.00 0.00 175.22 173.22 2khn s PRO 15 N -0.06 4.50 -0.43 1.99 0.02 -1.26 -4.99 135.00 134.78 2khn s PRO 15 Ca 0.39 1.91 -0.28 0.00 0.02 0.00 0.00 61.00 63.04 2khn s PRO 15 Cb -0.21 -3.21 0.02 0.00 0.02 0.00 0.00 34.50 31.13 2khn s PRO 15 CO 0.23 -0.05 1.05 -0.08 -0.33 0.00 0.00 177.00 177.82 2khn s THR 16 N -0.35 4.38 0.36 0.99 -1.32 -1.26 -4.45 115.64 113.99 2khn s THR 16 Ca 0.51 1.23 -0.28 0.00 -1.21 0.00 0.00 61.69 61.94 2khn s THR 16 Cb -0.33 -4.49 -0.11 0.00 -1.51 0.00 0.00 72.50 66.05 2khn s THR 16 CO 0.39 -0.79 1.43 -2.65 -2.21 0.00 0.00 174.62 170.79 2khn n PRO 17 N 7.34 2.51 -4.03 7.08 -0.02 -1.26 -5.01 135.00 141.62 2khn n PRO 17 Ca 0.10 0.88 -0.31 0.00 -2.02 0.00 0.00 63.50 62.15 2khn n PRO 17 Cb 0.48 -2.57 -0.15 0.00 -0.02 0.00 0.00 33.50 31.24 2khn n PRO 17 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 2khn s PHE 18 N -1.06 2.94 0.67 6.00 -0.71 -1.26 -5.12 117.98 119.45 2khn s PHE 18 Ca 0.54 -2.09 -0.10 0.00 -1.04 0.00 0.00 56.93 54.24 2khn s PHE 18 Cb -0.51 -1.81 0.01 0.00 -1.21 0.00 0.00 43.02 39.50 2khn s PHE 18 CO 0.63 -0.84 1.05 0.20 -1.34 0.00 0.00 175.22 174.92 2khn s GLY 19 N 1.21 1.63 0.00 1.99 0.00 -1.26 -4.18 107.32 106.70 2khn s GLY 19 Ca -0.07 -0.37 0.00 0.00 0.00 0.00 0.00 44.72 44.28 2khn s GLY 19 CO -0.06 -0.03 0.00 0.61 0.00 0.00 0.00 173.10 173.63 2khn n GLY 20 N -2.90 2.29 3.78 0.20 0.00 -1.26 -4.96 105.19 102.34 2khn n GLY 20 Ca 0.06 -0.42 -0.39 0.00 0.00 0.00 0.00 46.02 45.27 2khn n GLY 20 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2khn s SER 21 N 0.00 7.20 -0.05 1.61 0.01 -1.26 -5.02 113.70 116.19 2khn s SER 21 Ca 0.00 1.43 -0.30 0.00 1.31 0.00 0.00 55.95 58.39 2khn s SER 21 Cb 0.00 -2.43 -0.04 0.00 0.21 0.00 0.00 66.02 63.76 2khn s SER 21 CO 0.00 0.19 1.30 -0.76 0.41 0.00 0.00 173.24 174.38 2khn s LEU 22 N -0.86 4.28 -0.22 2.44 1.43 -1.26 -4.89 118.68 119.61 2khn s LEU 22 Ca 0.33 1.92 0.01 0.00 -1.03 0.00 0.00 54.13 55.37 2khn s LEU 22 Cb -0.21 -3.56 0.28 0.00 0.03 0.00 0.00 46.19 42.73 2khn s LEU 22 CO 0.22 -0.67 1.51 -0.90 0.23 0.00 0.00 176.35 176.74 2khn n ASP 23 N 5.55 3.87 0.20 2.29 5.75 -1.26 -4.47 116.55 128.48 2khn n ASP 23 Ca 0.12 -2.76 0.06 0.00 -0.01 0.00 0.00 54.79 52.20 2khn n ASP 23 Cb 0.45 -0.72 0.54 0.00 -1.03 0.00 0.00 41.12 40.35 2khn n ASP 23 CO 0.00 0.00 0.00 0.74 -0.11 0.00 0.00 177.20 177.83 2khn h THR 24 N 0.54 1.08 -0.22 2.12 2.02 -2.01 -1.41 112.91 115.04 2khn h THR 24 Ca 0.28 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 67.12 2khn h THR 24 Cb 1.67 1.09 0.00 0.00 -1.74 0.00 0.00 68.15 69.17 2khn h THR 24 CO 0.53 0.11 0.00 0.79 0.37 0.00 0.00 175.52 177.31 2khn n TRP 25 N -4.42 0.29 -3.68 3.16 7.02 -1.26 -4.95 117.44 113.59 2khn n TRP 25 Ca -0.02 -0.46 -0.22 0.00 -1.02 0.00 0.00 57.50 55.77 2khn n TRP 25 Cb 0.16 -0.03 -0.03 0.00 -2.42 0.00 0.00 31.31 28.99 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 -0.97 4.08 -0.16 6.99 0.00 -0.53 -2.73 121.76 128.44 2khn s ALA 26 Ca 0.15 -1.82 -0.04 0.00 0.00 0.00 0.00 51.96 50.25 2khn s ALA 26 Cb 0.08 -0.89 -0.03 0.00 0.00 0.00 0.00 23.12 22.28 2khn s ALA 26 CO 0.10 -0.28 -0.03 0.42 0.00 0.00 0.00 175.76 175.97 2khn s ILE 27 N -2.55 3.91 0.40 0.00 1.01 -1.26 -4.94 121.20 117.77 2khn s ILE 27 Ca 0.45 -0.35 0.02 0.00 0.00 0.00 0.00 60.65 60.77 2khn s ILE 27 Cb -0.02 -2.72 -0.01 0.00 0.01 0.00 0.00 42.46 39.73 2khn s ILE 27 CO 0.26 0.49 0.07 0.35 0.00 0.00 0.00 174.94 176.11 2khn n THR 28 N 3.58 0.00 0.09 2.92 -2.24 -1.26 -4.73 114.28 112.63 2khn n THR 28 Ca -0.17 -2.12 -0.02 0.00 -2.27 0.00 0.00 64.05 59.47 2khn n THR 28 Cb 0.52 0.61 0.22 0.00 -2.10 0.00 0.00 70.33 69.59 2khn n THR 28 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2khn h VAL 29 N 1.44 1.31 -0.00 2.28 2.07 -1.98 0.36 116.25 121.72 2khn h VAL 29 Ca -0.32 -1.51 -0.11 0.00 0.82 0.00 0.00 66.70 65.58 2khn h VAL 29 Cb 1.10 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 32.53 2khn h VAL 29 CO 0.52 0.45 -0.50 -0.33 0.02 0.00 0.00 177.57 177.74 2khn h GLU 30 N 0.22 0.01 0.12 1.57 3.07 -1.97 -1.61 114.58 115.98 2khn h GLU 30 Ca 0.02 -0.01 -0.29 0.00 -0.50 0.00 0.00 59.36 58.59 2khn h GLU 30 Cb 0.81 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.74 2khn h GLU 30 CO 0.06 0.51 -1.22 0.93 -1.40 0.00 0.00 179.01 177.89 2khn h GLU 31 N 0.01 0.50 -0.16 2.33 4.39 -1.75 -2.29 114.58 117.61 2khn h GLU 31 Ca -0.00 -0.70 -0.05 0.00 0.34 0.00 0.00 59.36 58.95 2khn h GLU 31 Cb 0.88 0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 29.75 2khn h GLU 31 CO 0.07 1.30 -0.13 0.07 -1.16 0.00 0.00 179.01 179.16 2khn h ARG 32 N 0.21 0.26 0.00 2.33 -0.00 -0.16 -0.82 114.38 116.20 2khn h ARG 32 Ca -0.17 -0.06 -0.09 0.00 -0.00 0.00 0.00 59.98 59.66 2khn h ARG 32 Cb 1.90 -0.03 -0.01 0.00 -0.00 0.00 0.00 29.97 31.83 2khn h ARG 32 CO 0.22 0.40 -0.43 0.00 -0.00 0.00 0.00 179.97 180.16 2khn h ALA 33 N 1.62 0.84 -0.56 0.08 0.00 -1.29 -3.26 119.26 116.70 2khn h ALA 33 Ca 0.05 -0.40 0.02 0.00 0.00 0.00 0.00 54.91 54.58 2khn h ALA 33 Cb 0.39 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 2khn h ALA 33 CO 0.02 0.54 0.35 -0.22 0.00 0.00 0.00 179.25 179.95 2khn h LYS 34 N 0.00 0.68 0.00 0.00 3.11 -0.54 -2.36 116.57 117.46 2khn h LYS 34 Ca -0.00 -0.04 -0.15 0.00 -2.81 0.00 0.00 60.65 57.64 2khn h LYS 34 Cb 1.11 -0.15 -0.02 0.00 -1.00 0.00 0.00 32.23 32.17 2khn h LYS 34 CO 0.06 0.45 -0.73 1.12 -2.81 0.00 0.00 179.45 177.53 2khn h HIS 35 N 0.70 0.00 -0.75 1.91 2.07 -1.63 -3.24 115.15 114.21 2khn h HIS 35 Ca 0.22 0.00 0.09 0.00 -2.85 0.00 0.00 60.37 57.83 2khn h HIS 35 Cb -0.02 0.00 -0.07 0.00 2.57 0.00 0.00 27.41 29.89 2khn h HIS 35 CO -0.05 0.73 0.40 -0.44 -3.07 0.00 0.00 177.93 175.51 2khn h ASP 36 N 0.00 0.55 -0.14 3.10 5.19 -1.47 0.38 116.42 124.04 2khn h ASP 36 Ca -0.01 0.05 -0.00 0.00 -0.62 0.00 0.00 57.03 56.46 2khn h ASP 36 Cb 1.38 -0.05 -0.01 0.00 0.18 0.00 0.00 39.33 40.84 2khn h ASP 36 CO 0.10 0.32 0.08 1.56 -3.12 0.00 0.00 179.24 178.18 2khn h GLN 37 N 0.68 0.18 0.05 3.56 1.08 -1.54 -1.70 115.11 117.42 2khn h GLN 37 Ca 0.36 -0.02 -0.23 0.00 -1.45 0.00 0.00 58.65 57.32 2khn h GLN 37 Cb 0.35 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.73 2khn h GLN 37 CO -0.25 0.16 -1.03 1.96 -0.95 0.00 0.00 178.83 178.72 2khn h GLN 38 N 0.16 0.23 -0.30 1.46 4.20 -1.59 -3.25 115.11 116.01 2khn h GLN 38 Ca 0.05 -0.30 -0.06 0.00 0.06 0.00 0.00 58.65 58.39 2khn h GLN 38 Cb 0.02 0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 2khn h GLN 38 CO -0.01 1.07 -0.07 0.35 -0.67 0.00 0.00 178.83 179.50 2khn h PHE 39 N 0.10 0.51 -0.90 2.96 3.04 -0.13 -2.08 116.94 120.43 2khn h PHE 39 Ca -0.08 -0.06 0.09 0.00 3.98 0.00 0.00 57.97 61.90 2khn h PHE 39 Cb 1.71 -0.14 -0.06 0.00 2.56 0.00 0.00 35.95 40.01 2khn h PHE 39 CO 0.04 0.55 0.58 1.25 -2.02 0.00 0.00 178.31 178.72 2khn h HIS 40 N 0.46 0.99 0.00 0.41 2.76 -1.34 -0.94 115.15 117.49 2khn h HIS 40 Ca 0.09 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.29 2khn h HIS 40 Cb 0.41 -0.32 0.00 0.00 1.55 0.00 0.00 27.41 29.05 2khn h HIS 40 CO 0.01 0.47 0.00 0.77 -1.30 0.00 0.00 177.93 177.88 2khn h SER 41 N 0.93 0.00 0.87 3.26 0.02 -1.50 -3.04 113.55 114.10 2khn h SER 41 Ca 0.41 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.36 2khn h SER 41 Cb 0.36 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.90 2khn h SER 41 CO -0.18 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 175.69 2khn n LEU 42 N -2.49 0.21 -3.07 5.07 4.77 -0.36 -4.94 117.00 116.19 2khn n LEU 42 Ca 0.04 0.53 -0.06 0.00 -0.03 0.00 0.00 56.01 56.49 2khn n LEU 42 Cb 0.37 -0.48 0.03 0.00 -2.33 0.00 0.00 43.42 41.01 2khn n LEU 42 CO 0.27 -0.19 0.20 0.29 -1.33 0.00 0.00 177.39 176.64 2khn n LYS 43 N -1.71 -1.64 -2.43 3.23 4.01 -1.15 -4.83 118.16 113.63 2khn n LYS 43 Ca 0.05 1.19 -0.41 0.00 -0.51 0.00 0.00 58.31 58.63 2khn n LYS 43 Cb 0.28 -5.61 -0.04 0.00 -0.51 0.00 0.00 35.03 29.15 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 -3.57 4.55 0.00 1.97 0.04 -1.26 -5.01 135.00 131.72 2khn s PRO 44 Ca 0.19 1.82 0.00 0.00 0.04 0.00 0.00 61.00 63.05 2khn s PRO 44 Cb -0.02 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.28 2khn s PRO 44 CO 0.71 0.03 0.00 -0.89 0.04 0.00 0.00 177.00 176.89 2khn n ILE 45 N 2.13 0.00 -2.15 0.56 2.08 -1.25 -4.72 119.36 116.02 2khn n ILE 45 Ca 0.03 0.11 -0.32 0.00 0.56 0.00 0.00 62.75 63.13 2khn n ILE 45 Cb 0.45 -0.76 0.02 0.00 -0.75 0.00 0.00 39.64 38.60 2khn n ILE 45 CO 0.00 0.00 0.00 -1.20 0.56 0.00 0.00 176.55 175.91 2khn n SER 46 N -1.32 5.94 -0.44 4.38 7.64 -1.26 -4.83 113.62 123.73 2khn n SER 46 Ca 0.00 -3.77 -0.05 0.00 1.01 0.00 0.00 58.87 56.06 2khn n SER 46 Cb 0.00 -0.70 -0.02 0.00 -1.01 0.00 0.00 64.21 62.48 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 -0.56 0.74 3.02 0.23 0.00 -1.26 -4.77 105.19 102.58 2khn n GLY 47 Ca 0.47 -0.80 -0.10 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.21 0.11 0.24 1.61 -0.71 -1.26 -4.51 117.98 111.24 2khn s PHE 48 Ca 0.00 -0.23 0.01 0.00 -1.04 0.00 0.00 56.93 55.67 2khn s PHE 48 Cb 0.00 -0.09 -0.04 0.00 -1.21 0.00 0.00 43.02 41.68 2khn s PHE 48 CO 0.00 -0.19 0.15 0.96 -1.34 0.00 0.00 175.22 174.80 2khn s ILE 49 N -1.09 0.12 0.00 -4.49 -0.00 -1.26 -3.79 121.20 110.69 2khn s ILE 49 Ca -0.12 -2.00 0.00 0.00 -0.00 0.00 0.00 60.65 58.53 2khn s ILE 49 Cb -0.07 -2.52 0.00 0.00 -0.00 0.00 0.00 42.46 39.87 2khn s ILE 49 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 174.94 175.35 2khn n THR 50 N -0.38 0.00 -0.30 8.37 -1.04 -1.26 -4.71 114.28 114.97 2khn n THR 50 Ca 0.02 0.00 0.17 0.00 -2.04 0.00 0.00 64.05 62.20 2khn n THR 50 Cb 0.65 0.00 0.43 0.00 -1.82 0.00 0.00 70.33 69.60 2khn n THR 50 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 2khn h GLY 51 N 0.00 1.28 0.64 3.41 0.00 -1.89 -1.44 103.07 105.06 2khn h GLY 51 Ca 0.00 -0.26 0.03 0.00 0.00 0.00 0.00 47.33 47.10 2khn h GLY 51 CO 0.00 -0.04 -0.06 -0.55 0.00 0.00 0.00 176.54 175.89 2khn h ASP 52 N 0.55 -0.20 -0.21 0.19 5.19 -2.00 -0.54 116.42 119.40 2khn h ASP 52 Ca 0.53 0.06 -0.04 0.00 -0.62 0.00 0.00 57.03 56.95 2khn h ASP 52 Cb 1.11 0.12 -0.01 0.00 0.18 0.00 0.00 39.33 40.73 2khn h ASP 52 CO -0.27 -0.08 -0.03 1.56 -3.12 0.00 0.00 179.24 177.30 2khn h GLN 53 N -0.03 0.40 -0.51 3.56 7.50 -1.61 -2.92 115.11 121.49 2khn h GLN 53 Ca 0.08 -0.14 0.06 0.00 0.50 0.00 0.00 58.65 59.15 2khn h GLN 53 Cb 0.16 -0.03 -0.05 0.00 0.05 0.00 0.00 27.48 27.60 2khn h GLN 53 CO -0.18 0.61 0.22 0.00 -1.50 0.00 0.00 178.83 177.99 2khn h ALA 54 N 0.77 0.65 -0.26 3.87 0.00 -1.17 -0.50 119.26 122.61 2khn h ALA 54 Ca 0.06 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2khn h ALA 54 Cb 0.45 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2khn h ALA 54 CO 0.02 -0.15 0.17 -0.09 0.00 0.00 0.00 179.25 179.20 2khn h ARG 55 N 0.43 0.35 -0.09 0.00 2.43 -1.07 -2.45 114.38 113.98 2khn h ARG 55 Ca 0.24 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.30 2khn h ARG 55 Cb 0.21 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 2khn h ARG 55 CO -0.21 0.23 -0.34 -0.91 -1.51 0.00 0.00 179.97 177.24 2khn h ASN 56 N 0.35 0.17 0.81 -3.80 2.35 -1.27 -2.11 115.58 112.08 2khn h ASN 56 Ca 0.10 -0.06 -0.04 0.00 -0.55 0.00 0.00 56.30 55.75 2khn h ASN 56 Cb -0.04 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.28 2khn h ASN 56 CO -0.02 0.51 -0.46 0.15 -1.65 0.00 0.00 177.43 175.96 2khn h PHE 57 N 0.15 -1.21 0.00 1.19 3.04 -0.61 -0.11 116.94 119.39 2khn h PHE 57 Ca 0.02 -0.02 -0.08 0.00 3.98 0.00 0.00 57.97 61.87 2khn h PHE 57 Cb 0.68 0.42 -0.01 0.00 2.56 0.00 0.00 35.95 39.60 2khn h PHE 57 CO 0.01 -0.70 -0.40 0.27 -2.02 0.00 0.00 178.31 175.47 2khn h PHE 58 N -1.17 0.00 0.00 0.41 -5.15 -1.56 -2.95 116.94 106.52 2khn h PHE 58 Ca -0.11 0.00 -0.08 0.00 -0.20 0.00 0.00 57.97 57.58 2khn h PHE 58 Cb 0.93 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.09 2khn h PHE 58 CO -0.07 0.40 -0.38 0.35 -2.00 0.00 0.00 178.31 176.61 2khn h PHE 59 N 0.00 0.00 -0.76 6.09 3.57 -1.32 -2.65 116.94 121.88 2khn h PHE 59 Ca -0.00 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.44 2khn h PHE 59 Cb 1.27 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.98 2khn h PHE 59 CO 0.00 0.38 0.26 0.37 -2.23 0.00 0.00 178.31 177.09 2khn h GLN 60 N 0.00 1.16 0.00 1.11 -0.00 -0.83 -2.63 115.11 113.91 2khn h GLN 60 Ca -0.00 -0.23 -0.00 0.00 -0.00 0.00 0.00 58.65 58.41 2khn h GLN 60 Cb 0.83 -0.18 -0.00 0.00 0.00 0.00 0.00 27.48 28.14 2khn h GLN 60 CO 0.05 0.96 -0.00 0.77 0.00 0.00 0.00 178.83 180.61 2khn h SER 61 N 1.11 0.00 -0.53 -0.69 0.02 -1.50 -3.46 113.55 108.49 2khn h SER 61 Ca 0.25 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 2khn h SER 61 Cb 0.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.81 2khn h SER 61 CO -0.01 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.29 2khn n GLY 62 N -0.35 0.97 3.91 -3.77 0.00 -0.99 -5.07 105.19 99.88 2khn n GLY 62 Ca -0.01 -0.45 -0.27 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.53 4.21 0.62 0.99 1.43 -1.26 -5.09 118.68 119.05 2khn s LEU 63 Ca 0.00 0.11 -0.19 0.00 -1.03 0.00 0.00 54.13 53.02 2khn s LEU 63 Cb 0.00 -2.79 -0.03 0.00 0.03 0.00 0.00 46.19 43.40 2khn s LEU 63 CO 0.00 0.07 1.21 -2.65 0.23 0.00 0.00 176.35 175.20 2khn n PRO 64 N -0.42 1.12 -0.10 1.29 -0.02 -1.26 -4.73 135.00 130.88 2khn n PRO 64 Ca -0.07 0.43 -0.09 0.00 -2.02 0.00 0.00 63.50 61.76 2khn n PRO 64 Cb 0.54 -2.43 -0.01 0.00 -0.02 0.00 0.00 33.50 31.58 2khn n PRO 64 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 2khn h GLN 65 N 0.63 0.43 -0.95 -0.52 4.15 -1.98 0.17 115.11 117.03 2khn h GLN 65 Ca -0.50 -0.03 0.12 0.00 0.77 0.00 0.00 58.65 59.01 2khn h GLN 65 Cb 1.34 -0.10 -0.08 0.00 0.21 0.00 0.00 27.48 28.85 2khn h GLN 65 CO 0.53 0.28 0.58 -1.00 -1.93 0.00 0.00 178.83 177.29 2khn h PRO 66 N 0.44 0.90 -0.50 -2.39 0.13 -1.98 0.33 132.00 128.93 2khn h PRO 66 Ca 0.12 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 65.18 2khn h PRO 66 Cb -0.05 -0.20 -0.02 0.00 0.13 0.00 0.00 31.00 30.86 2khn h PRO 66 CO -0.03 0.59 0.25 0.28 -0.23 0.00 0.00 178.00 178.86 2khn h VAL 67 N 0.93 1.19 0.30 1.56 2.07 -1.66 -0.66 116.25 119.96 2khn h VAL 67 Ca 0.47 -0.52 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 2khn h VAL 67 Cb 0.47 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 2khn h VAL 67 CO -0.27 0.21 -0.14 -0.07 0.02 0.00 0.00 177.57 177.32 2khn h LEU 68 N 0.66 -0.34 -1.80 2.57 3.38 0.57 -1.58 115.31 118.77 2khn h LEU 68 Ca 0.17 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2khn h LEU 68 Cb 0.10 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2khn h LEU 68 CO -0.02 -0.11 0.12 0.00 0.09 0.00 0.00 178.44 178.51 2khn h ALA 69 N 0.10 1.85 -0.31 1.53 0.00 -0.38 -0.74 119.26 121.31 2khn h ALA 69 Ca -0.04 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.71 2khn h ALA 69 Cb 0.41 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2khn h ALA 69 CO 0.07 0.13 -0.38 0.37 0.00 0.00 0.00 179.25 179.44 2khn h GLN 70 N 0.26 0.73 -0.73 0.00 4.15 -0.92 0.13 115.11 118.73 2khn h GLN 70 Ca 0.07 -0.37 -0.04 0.00 0.77 0.00 0.00 58.65 59.08 2khn h GLN 70 Cb -0.02 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.64 2khn h GLN 70 CO -0.01 0.99 0.30 0.82 -1.93 0.00 0.00 178.83 179.00 2khn h ILE 71 N 0.61 1.24 -0.28 2.39 2.04 -0.15 -1.10 117.51 122.26 2khn h ILE 71 Ca 0.05 -0.75 -0.05 0.00 1.00 0.00 0.00 64.86 65.11 2khn h ILE 71 Cb 0.92 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 2khn h ILE 71 CO 0.08 0.31 -0.02 -0.25 0.00 0.00 0.00 178.15 178.27 2khn h TRP 72 N 1.06 0.57 0.00 1.37 7.01 -0.93 0.11 115.95 125.14 2khn h TRP 72 Ca 0.25 -0.11 0.00 0.00 2.11 0.00 0.00 58.89 61.14 2khn h TRP 72 Cb 0.18 -0.14 0.00 0.00 -2.10 0.00 0.00 29.16 27.10 2khn h TRP 72 CO 0.02 0.68 0.00 0.00 -2.79 0.00 0.00 178.44 176.35 2khn h ALA 73 N 0.81 1.00 0.00 2.65 0.00 -0.45 -0.69 119.26 122.58 2khn h ALA 73 Ca 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.77 2khn h ALA 73 Cb 0.47 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 2khn h ALA 73 CO 0.02 0.00 -1.63 1.28 0.00 0.00 0.00 179.25 178.91 2khn n LEU 74 N -2.97 0.73 0.00 0.00 4.77 -0.44 -4.58 117.00 114.51 2khn n LEU 74 Ca -0.01 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 2khn n LEU 74 Cb 0.16 0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 2khn n LEU 74 CO 0.22 0.25 0.36 0.00 -1.33 0.00 0.00 177.39 176.88 2khn n ALA 75 N -2.47 -0.33 -2.53 -1.18 0.00 0.34 -3.82 120.51 110.52 2khn n ALA 75 Ca -0.14 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.89 2khn n ALA 75 Cb 0.92 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.34 2khn n ALA 75 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2khn s ASP 76 N -2.16 6.22 0.53 0.00 -4.77 -1.19 -4.81 116.67 110.49 2khn s ASP 76 Ca 0.00 -0.74 0.26 0.00 -3.30 0.00 0.00 52.55 48.77 2khn s ASP 76 Cb 0.00 -2.56 1.40 0.00 -1.09 0.00 0.00 42.92 40.67 2khn s ASP 76 CO 0.00 -1.77 1.98 0.24 0.70 0.00 0.00 175.17 176.32 2khn h MET 77 N 10.15 0.01 -0.01 2.11 2.86 -1.81 0.88 114.93 129.13 2khn h MET 77 Ca -0.12 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 2khn h MET 77 Cb 1.04 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.70 2khn h MET 77 CO 1.32 0.01 -0.04 -1.71 1.06 0.00 0.00 176.91 177.56 2khn n ASN 78 N -4.37 0.72 -3.07 1.22 5.15 -1.26 -4.95 115.26 108.71 2khn n ASN 78 Ca 0.11 -1.08 -0.13 0.00 -0.60 0.00 0.00 54.58 52.87 2khn n ASN 78 Cb 0.65 -0.01 0.01 0.00 -0.53 0.00 0.00 39.78 39.90 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 -0.53 -7.28 0.09 1.20 4.05 0.31 -4.94 115.26 108.16 2khn n ASN 79 Ca 0.19 0.19 0.04 0.00 0.45 0.00 0.00 54.58 55.46 2khn n ASN 79 Cb 0.25 -4.45 -0.02 0.00 1.23 0.00 0.00 39.78 36.79 2khn n ASN 79 CO 0.00 0.00 0.00 -0.78 -3.05 0.00 0.00 177.26 173.43 2khn h ASP 80 N 1.57 0.00 -0.58 1.20 3.58 -1.93 -3.48 116.42 116.78 2khn h ASP 80 Ca -0.15 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.21 2khn h ASP 80 Cb 1.10 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.14 2khn h ASP 80 CO 0.24 0.39 -0.11 0.61 -2.88 0.00 0.00 179.24 177.48 2khn n GLY 81 N 1.29 0.25 0.31 -0.78 0.00 -1.26 -4.71 105.19 100.29 2khn n GLY 81 Ca -0.04 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.26 2khn n GLY 81 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2khn n ARG 82 N -1.60 0.00 -1.38 1.61 1.85 -1.26 -4.89 116.66 110.99 2khn n ARG 82 Ca -0.05 0.00 0.18 0.00 -1.00 0.00 0.00 57.85 56.98 2khn n ARG 82 Cb 0.49 0.00 -0.05 0.00 -1.05 0.00 0.00 32.46 31.85 2khn n ARG 82 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2khn n MET 83 N -1.47 -2.82 -3.63 2.89 0.00 -1.26 -4.79 117.12 106.04 2khn n MET 83 Ca 0.00 1.93 -0.16 0.00 0.00 0.00 0.00 57.70 59.47 2khn n MET 83 Cb 0.00 -3.43 -0.05 0.00 0.00 0.00 0.00 33.22 29.74 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 -4.32 0.54 0.07 3.17 -0.08 -1.26 -5.01 116.55 109.66 2khn n ASP 84 Ca -0.00 -2.52 0.17 0.00 -1.51 0.00 0.00 54.79 50.93 2khn n ASP 84 Cb 0.66 0.88 0.68 0.00 2.34 0.00 0.00 41.12 45.68 2khn n ASP 84 CO 0.00 0.00 0.00 1.56 0.12 0.00 0.00 177.20 178.88 2khn h GLN 85 N 0.00 0.00 -0.34 -0.67 1.08 -1.95 -0.29 115.11 112.94 2khn h GLN 85 Ca -0.20 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 56.94 2khn h GLN 85 Cb 0.84 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.26 2khn h GLN 85 CO 0.31 0.00 -0.02 -0.24 -0.95 0.00 0.00 178.83 177.93 2khn h VAL 86 N 0.00 1.26 -0.37 -0.54 3.04 -1.96 0.24 116.25 117.93 2khn h VAL 86 Ca 0.19 -1.02 -0.13 0.00 -1.01 0.00 0.00 66.70 64.73 2khn h VAL 86 Cb 0.75 1.25 -0.01 0.00 -2.01 0.00 0.00 31.29 31.28 2khn h VAL 86 CO -0.00 0.33 -0.29 -0.33 -1.01 0.00 0.00 177.57 176.27 2khn h GLU 87 N 0.41 0.78 -0.26 4.17 3.07 -1.62 -3.00 114.58 118.14 2khn h GLU 87 Ca 0.09 -0.35 -0.10 0.00 -0.50 0.00 0.00 59.36 58.50 2khn h GLU 87 Cb 0.49 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.37 2khn h GLU 87 CO 0.02 0.98 -0.25 0.35 -1.40 0.00 0.00 179.01 178.71 2khn h PHE 88 N 0.67 0.55 0.00 4.33 3.04 -0.88 -1.78 116.94 122.86 2khn h PHE 88 Ca 0.08 -0.12 0.00 0.00 3.98 0.00 0.00 57.97 61.91 2khn h PHE 88 Cb 0.83 -0.14 0.00 0.00 2.56 0.00 0.00 35.95 39.20 2khn h PHE 88 CO 0.04 0.70 0.00 1.03 -2.02 0.00 0.00 178.31 178.07 2khn h SER 89 N 0.44 0.00 0.03 0.41 0.87 -0.41 -3.08 113.55 111.81 2khn h SER 89 Ca 0.06 0.00 -0.38 0.00 -1.23 0.00 0.00 61.79 60.24 2khn h SER 89 Cb 0.67 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.57 2khn h SER 89 CO 0.05 0.00 -2.34 0.00 -0.53 0.00 0.00 176.83 174.01 2khn n ILE 90 N -2.74 1.57 0.23 2.23 3.06 -1.06 -4.41 119.36 118.24 2khn n ILE 90 Ca 0.03 -0.58 0.08 0.00 -2.50 0.00 0.00 62.75 59.78 2khn n ILE 90 Cb 0.40 -1.53 0.54 0.00 0.54 0.00 0.00 39.64 39.60 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 -0.02 1.38 0.00 1.51 0.00 -1.39 -2.77 119.26 117.97 2khn h ALA 91 Ca -0.54 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.16 2khn h ALA 91 Cb 1.92 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.67 2khn h ALA 91 CO -0.06 0.28 -0.04 0.00 0.00 0.00 0.00 179.25 179.44 2khn h MET 92 N 0.00 0.00 0.00 0.00 -0.00 -1.74 -1.75 114.93 111.44 2khn h MET 92 Ca -0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 59.70 59.51 2khn h MET 92 Cb 0.47 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 32.04 2khn h MET 92 CO 0.03 0.04 -0.89 -0.22 -0.00 0.00 0.00 176.91 175.87 2khn h LYS 93 N 0.00 0.00 -0.40 -0.10 3.11 -1.74 -2.90 116.57 114.54 2khn h LYS 93 Ca -0.00 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.83 2khn h LYS 93 Cb 0.07 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.29 2khn h LYS 93 CO 0.00 0.89 0.22 1.25 -2.81 0.00 0.00 179.45 179.01 2khn h LEU 94 N 0.00 0.49 -0.60 5.20 5.85 -1.44 -2.71 115.31 122.10 2khn h LEU 94 Ca -0.01 -0.08 0.08 0.00 0.84 0.00 0.00 57.88 58.71 2khn h LEU 94 Cb 1.64 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 42.48 2khn h LEU 94 CO 0.12 0.43 0.27 0.40 -0.34 0.00 0.00 178.44 179.32 2khn h ILE 95 N 0.51 0.85 0.03 4.05 2.04 -1.41 0.28 117.51 123.85 2khn h ILE 95 Ca 0.14 -0.17 0.02 0.00 1.00 0.00 0.00 64.86 65.85 2khn h ILE 95 Cb 0.05 0.32 -0.03 0.00 -0.74 0.00 0.00 36.82 36.42 2khn h ILE 95 CO -0.02 0.09 -0.16 0.50 0.00 0.00 0.00 178.15 178.56 2khn h LYS 96 N 0.49 -0.26 0.00 2.37 3.64 -1.28 -1.75 116.57 119.77 2khn h LYS 96 Ca 0.29 0.02 -0.14 0.00 -1.27 0.00 0.00 60.65 59.55 2khn h LYS 96 Cb 0.29 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.15 2khn h LYS 96 CO -0.25 -0.18 -0.70 1.25 -2.27 0.00 0.00 179.45 177.30 2khn h LEU 97 N -0.27 0.00 -1.63 5.20 5.85 -1.30 -3.15 115.31 120.01 2khn h LEU 97 Ca 0.04 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 2khn h LEU 97 Cb 0.32 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 2khn h LEU 97 CO -0.13 0.63 -0.20 0.50 -0.34 0.00 0.00 178.44 178.90 2khn h LYS 98 N 0.00 0.00 0.00 1.25 3.64 -0.17 -0.67 116.57 120.63 2khn h LYS 98 Ca -0.02 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2khn h LYS 98 Cb 1.50 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.32 2khn h LYS 98 CO 0.08 0.20 -0.00 -0.07 -2.27 0.00 0.00 179.45 177.39 2khn h LEU 99 N 0.00 0.00 -0.00 5.20 3.38 -1.27 -1.62 115.31 121.00 2khn h LEU 99 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2khn h LEU 99 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2khn h LEU 99 CO 0.03 0.00 -0.02 0.00 0.09 0.00 0.00 178.44 178.54 2khn n GLN 100 N -3.72 0.08 0.00 1.13 1.13 -0.26 -4.86 117.38 110.89 2khn n GLN 100 Ca -0.03 -0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.03 2khn n GLN 100 Cb 0.08 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 28.93 2khn n GLN 100 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2khn n GLY 101 N 1.46 0.72 3.33 1.08 0.00 -0.64 -5.16 105.19 105.98 2khn n GLY 101 Ca 0.08 -0.33 -0.17 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.38 1.56 0.03 1.61 2.02 -1.02 -5.05 117.35 116.12 2khn s TYR 102 Ca 0.00 -1.08 0.00 0.00 -0.37 0.00 0.00 57.07 55.62 2khn s TYR 102 Cb 0.00 -0.93 0.00 0.00 -0.40 0.00 0.00 41.96 40.63 2khn s TYR 102 CO 0.00 -0.22 0.00 1.04 -1.57 0.00 0.00 175.55 174.80 2khn n GLN 103 N -0.46 0.00 -1.06 -0.62 6.02 -1.26 -4.79 117.38 115.21 2khn n GLN 103 Ca -0.02 0.00 0.13 0.00 -0.01 0.00 0.00 57.00 57.10 2khn n GLN 103 Cb 0.65 -0.09 -0.06 0.00 1.02 0.00 0.00 30.24 31.76 2khn n GLN 103 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2khn n LEU 104 N -2.70 -0.70 0.00 1.08 4.32 -1.26 -4.99 117.00 112.75 2khn n LEU 104 Ca 0.00 1.62 0.00 0.00 -0.02 0.00 0.00 56.01 57.61 2khn n LEU 104 Cb 0.08 -2.87 0.00 0.00 -1.62 0.00 0.00 43.42 39.01 2khn n LEU 104 CO 0.00 -1.91 0.00 -0.81 -1.22 0.00 0.00 177.39 173.45 2khn n PRO 105 N -3.78 2.07 -0.02 3.23 -0.04 -1.26 -4.99 135.00 130.21 2khn n PRO 105 Ca -0.05 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.47 2khn n PRO 105 Cb 0.50 0.00 0.31 0.00 -0.04 0.00 0.00 33.50 34.27 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 -1.20 0.33 -4.27 3.54 7.64 -1.26 -4.63 113.62 113.77 2khn n SER 106 Ca 0.00 -1.69 -0.38 0.00 1.01 0.00 0.00 58.87 57.81 2khn n SER 106 Cb 0.00 -0.03 -0.12 0.00 -1.01 0.00 0.00 64.21 63.05 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 -1.94 3.06 0.41 -0.43 0.00 -1.26 -4.92 121.76 116.69 2khn s ALA 107 Ca 0.18 -1.78 -0.24 0.00 0.00 0.00 0.00 51.96 50.13 2khn s ALA 107 Cb 0.09 -2.29 -0.09 0.00 0.00 0.00 0.00 23.12 20.83 2khn s ALA 107 CO 0.14 -1.36 1.07 -0.51 0.00 0.00 0.00 175.76 175.10 2khn s LEU 108 N 1.40 4.11 0.60 0.00 1.43 -1.26 -5.04 118.68 119.92 2khn s LEU 108 Ca -0.01 2.07 -0.17 0.00 -1.03 0.00 0.00 54.13 54.99 2khn s LEU 108 Cb -0.20 -4.21 -0.03 0.00 0.03 0.00 0.00 46.19 41.78 2khn s LEU 108 CO 0.03 -0.57 1.11 -2.84 0.23 0.00 0.00 176.35 174.31 2khn s PRO 109 N -2.56 3.09 0.00 1.29 0.02 -1.26 -4.93 135.00 130.65 2khn s PRO 109 Ca 0.59 1.47 0.22 0.00 0.02 0.00 0.00 61.00 63.29 2khn s PRO 109 Cb -0.23 -1.98 1.13 0.00 0.02 0.00 0.00 34.50 33.44 2khn s PRO 109 CO 0.28 -1.03 1.70 -0.35 -0.33 0.00 0.00 177.00 177.27 2khn n PRO 110 N -1.89 0.36 0.04 5.54 -0.04 -1.26 -2.87 135.00 134.88 2khn n PRO 110 Ca 0.11 0.07 -0.09 0.00 -0.04 0.00 0.00 63.50 63.55 2khn n PRO 110 Cb 0.52 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.35 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 1.42 0.03 0.52 2.07 -1.90 -1.22 116.25 117.17 2khn h VAL 111 Ca 0.00 -3.16 -0.26 0.00 0.82 0.00 0.00 66.70 64.10 2khn h VAL 111 Cb 0.17 2.73 0.01 0.00 -1.52 0.00 0.00 31.29 32.69 2khn h VAL 111 CO 0.00 0.83 -1.05 0.24 0.02 0.00 0.00 177.57 177.60 2khn h MET 112 N 0.01 0.56 0.00 1.57 2.86 -1.37 -3.25 114.93 115.32 2khn h MET 112 Ca -0.11 -0.64 -0.03 0.00 -2.06 0.00 0.00 59.70 56.86 2khn h MET 112 Cb 1.87 0.19 -0.00 0.00 0.06 0.00 0.00 31.60 33.71 2khn h MET 112 CO 0.12 1.25 -0.82 1.57 1.06 0.00 0.00 176.91 180.09 2khn h LYS 113 N 0.30 0.00 0.00 1.72 2.10 -1.67 -3.41 116.57 115.60 2khn h LYS 113 Ca -0.12 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.53 2khn h LYS 113 Cb 1.70 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.03 2khn h LYS 113 CO 0.20 0.06 0.00 1.04 -2.00 0.00 0.00 179.45 178.74 2khn n GLN 114 N -2.82 0.00 -3.75 0.07 6.02 -0.46 -4.56 117.38 111.88 2khn n GLN 114 Ca -0.00 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.62 2khn n GLN 114 Cb 0.59 0.00 -0.11 0.00 1.02 0.00 0.00 30.24 31.74 2khn n GLN 114 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 2khn s GLN 115 N 0.00 2.08 0.22 -1.09 0.74 -1.26 -4.87 119.66 115.48 2khn s GLN 115 Ca 0.00 -1.85 -0.30 0.00 0.05 0.00 0.00 55.36 53.25 2khn s GLN 115 Cb 0.00 -3.63 -0.10 0.00 1.10 0.00 0.00 33.01 30.39 2khn s GLN 115 CO 0.00 -1.09 1.41 -2.14 -0.55 0.00 0.00 175.29 172.92 2khn s PRO 116 N 1.10 4.30 -0.22 1.67 0.02 -1.26 -5.01 135.00 135.59 2khn s PRO 116 Ca 0.08 2.23 0.02 0.00 0.02 0.00 0.00 61.00 63.35 2khn s PRO 116 Cb -0.23 -3.14 0.04 0.00 0.02 0.00 0.00 34.50 31.19 2khn s PRO 116 CO -0.04 -0.39 -0.14 0.14 -0.33 0.00 0.00 177.00 176.24 2khn s VAL 117 N 0.16 2.04 -0.07 3.83 -7.23 -1.26 -4.93 120.40 112.94 2khn s VAL 117 Ca 0.60 -1.27 0.13 0.00 -1.81 0.00 0.00 61.98 59.63 2khn s VAL 117 Cb -0.40 -2.03 -0.20 0.00 0.56 0.00 0.00 36.38 34.31 2khn s VAL 117 CO 0.40 0.21 0.19 0.00 -0.31 0.00 0.00 175.10 175.60 2khn n ALA 118 N 4.54 2.14 -2.71 1.32 0.00 -1.26 -5.07 120.51 119.48 2khn n ALA 118 Ca -0.17 -0.58 -0.03 0.00 0.00 0.00 0.00 53.44 52.66 2khn n ALA 118 Cb 0.46 -0.28 0.00 0.00 0.00 0.00 0.00 19.45 19.63 2khn n ALA 118 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2khn n ILE 119 N -2.22-11.21 -3.55 0.00 5.41 -1.26 -5.07 119.36 101.46 2khn n ILE 119 Ca -0.11 1.39 -0.07 0.00 1.00 0.00 0.00 62.75 64.96 2khn n ILE 119 Cb 0.63 -6.95 -0.08 0.00 -0.71 0.00 0.00 39.64 32.53 2khn n ILE 119 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 2khn s SER 120 N -1.96 -0.34 0.00 4.38 0.01 -1.26 -5.35 113.70 109.18 2khn s SER 120 Ca 0.10 0.88 0.00 0.00 1.31 0.00 0.00 55.95 58.24 2khn s SER 120 Cb -0.03 1.48 0.00 0.00 0.21 0.00 0.00 66.02 67.68 2khn s SER 120 CO 0.74 -0.25 0.00 -1.54 0.41 0.00 0.00 173.24 172.60