#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2khn n GLY 2 N 0.00 0.57 3.27 3.17 0.00 -1.26 -5.02 105.19 105.92 2khn n GLY 2 Ca 0.00 -0.43 -0.37 0.00 0.00 0.00 0.00 46.02 45.22 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 3.24 0.13 1.61 3.76 -1.26 -4.93 115.29 117.83 2khn s HIS 3 Ca 0.00 -1.43 0.00 0.00 -0.15 0.00 0.00 55.06 53.48 2khn s HIS 3 Cb 0.00 -2.25 0.00 0.00 1.11 0.00 0.00 32.58 31.44 2khn s HIS 3 CO 0.00 -0.72 0.00 0.72 -0.85 0.00 0.00 174.74 173.89 2khn n HIS 4 N 4.79 -2.06 -0.58 1.40 8.25 -1.26 -4.94 115.22 120.82 2khn n HIS 4 Ca -0.13 1.15 0.07 0.00 -0.26 0.00 0.00 57.72 58.55 2khn n HIS 4 Cb 0.45 -2.56 0.17 0.00 1.12 0.00 0.00 29.99 29.17 2khn n HIS 4 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2khn n HIS 5 N 0.34 0.51 -2.62 4.41 -0.00 -1.26 -4.92 115.22 111.69 2khn n HIS 5 Ca 0.00 -0.71 -0.41 0.00 -0.00 0.00 0.00 57.72 56.59 2khn n HIS 5 Cb 0.00 -0.16 -0.03 0.00 -0.00 0.00 0.00 29.99 29.80 2khn n HIS 5 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2khn s HIS 6 N -1.95 2.40 -0.30 -1.40 5.65 -1.26 -4.94 115.29 113.49 2khn s HIS 6 Ca 0.28 -0.26 -0.01 0.00 0.25 0.00 0.00 55.06 55.32 2khn s HIS 6 Cb 0.21 -4.57 0.09 0.00 -1.18 0.00 0.00 32.58 27.13 2khn s HIS 6 CO 0.09 -1.97 0.09 -1.58 -0.65 0.00 0.00 174.74 170.72 2khn s HIS 7 N 5.27 1.68 0.00 3.88 5.04 -1.26 -4.93 115.29 124.98 2khn s HIS 7 Ca 0.34 -1.66 0.00 0.00 -1.54 0.00 0.00 55.06 52.20 2khn s HIS 7 Cb -0.09 -1.65 0.00 0.00 0.04 0.00 0.00 32.58 30.88 2khn s HIS 7 CO 0.11 -0.85 0.23 1.58 -2.34 0.00 0.00 174.74 173.47 2khn n HIS 8 N 4.86 0.00 -2.73 3.88 -0.00 -1.26 -4.92 115.22 115.04 2khn n HIS 8 Ca -0.03 0.00 -0.43 0.00 0.46 0.00 0.00 57.72 57.72 2khn n HIS 8 Cb 0.43 0.00 -0.01 0.00 -0.12 0.00 0.00 29.99 30.29 2khn n HIS 8 CO 0.00 0.00 0.00 -1.12 0.46 0.00 0.00 176.34 175.68 2khn s SER 9 N -0.09 6.81 -0.20 0.26 0.01 -1.26 -4.97 113.70 114.26 2khn s SER 9 Ca 0.00 -2.36 -0.29 0.00 1.31 0.00 0.00 55.95 54.61 2khn s SER 9 Cb 0.00 -2.50 -0.00 0.00 0.21 0.00 0.00 66.02 63.73 2khn s SER 9 CO 0.00 -1.10 1.14 -2.28 0.41 0.00 0.00 173.24 171.41 2khn s HIS 10 N 3.38 3.13 -0.46 2.43 2.46 -1.26 -4.94 115.29 120.02 2khn s HIS 10 Ca 0.46 1.27 0.06 0.00 0.47 0.00 0.00 55.06 57.32 2khn s HIS 10 Cb -0.00 -3.37 0.18 0.00 -0.13 0.00 0.00 32.58 29.26 2khn s HIS 10 CO -0.00 -1.01 0.57 1.41 -2.47 0.00 0.00 174.74 173.24 2khn s MET 11 N 3.33 0.95 -0.67 2.88 -2.45 -1.26 -5.06 119.30 117.01 2khn s MET 11 Ca 0.49 -1.21 0.05 0.00 -1.25 0.00 0.00 55.69 53.77 2khn s MET 11 Cb -0.18 -0.46 0.19 0.00 1.25 0.00 0.00 34.83 35.63 2khn s MET 11 CO 0.10 -1.31 0.53 0.00 1.05 0.00 0.00 175.02 175.39 2khn n ALA 12 N 3.26 3.50 -1.93 4.11 0.00 -1.26 -4.76 120.51 123.42 2khn n ALA 12 Ca 0.19 -4.48 0.04 0.00 0.00 0.00 0.00 53.44 49.19 2khn n ALA 12 Cb 0.53 -0.99 0.06 0.00 0.00 0.00 0.00 19.45 19.04 2khn n ALA 12 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2khn n GLN 13 N 1.79 0.41 -3.81 0.00 -0.06 -1.26 -5.05 117.38 109.40 2khn n GLN 13 Ca 0.22 -1.83 -0.36 0.00 -2.00 0.00 0.00 57.00 53.03 2khn n GLN 13 Cb 0.37 -0.67 -0.12 0.00 -4.06 0.00 0.00 30.24 25.77 2khn n GLN 13 CO 0.00 0.00 0.00 -0.59 -0.20 0.00 0.00 177.06 176.27 2khn s PHE 14 N -0.89 3.15 0.14 3.69 -0.71 -1.26 -5.08 117.98 117.02 2khn s PHE 14 Ca 0.20 -0.20 -0.30 0.00 -1.04 0.00 0.00 56.93 55.59 2khn s PHE 14 Cb 0.20 -2.22 -0.07 0.00 -1.21 0.00 0.00 43.02 39.73 2khn s PHE 14 CO -0.05 -0.18 1.04 -2.14 -1.34 0.00 0.00 175.22 172.54 2khn s PRO 15 N 1.29 4.64 -0.04 1.99 0.02 -1.26 -5.01 135.00 136.63 2khn s PRO 15 Ca 0.05 1.59 -0.30 0.00 0.02 0.00 0.00 61.00 62.37 2khn s PRO 15 Cb -0.15 -3.33 -0.05 0.00 0.02 0.00 0.00 34.50 31.00 2khn s PRO 15 CO 0.04 0.13 1.48 0.99 -0.33 0.00 0.00 177.00 179.32 2khn s THR 16 N -0.10 3.70 -0.81 0.99 2.01 -1.26 -4.93 115.64 115.25 2khn s THR 16 Ca 0.48 0.98 -0.25 0.00 0.31 0.00 0.00 61.69 63.22 2khn s THR 16 Cb -0.27 -3.63 -0.02 0.00 0.01 0.00 0.00 72.50 68.59 2khn s THR 16 CO 0.32 -0.04 1.80 -2.84 -0.69 0.00 0.00 174.62 173.17 2khn s PRO 17 N 3.14 2.76 -0.07 4.92 0.02 -1.26 -4.96 135.00 139.55 2khn s PRO 17 Ca 0.66 -0.10 0.01 0.00 0.02 0.00 0.00 61.00 61.60 2khn s PRO 17 Cb -0.31 -4.80 -0.03 0.00 0.02 0.00 0.00 34.50 29.38 2khn s PRO 17 CO 0.26 -2.92 -0.08 -0.59 -0.33 0.00 0.00 177.00 173.34 2khn s PHE 18 N 8.75 2.89 0.00 6.54 -0.71 -1.26 -4.86 117.98 129.33 2khn s PHE 18 Ca 0.63 -0.07 0.00 0.00 -1.04 0.00 0.00 56.93 56.45 2khn s PHE 18 Cb -0.08 -1.72 0.00 0.00 -1.21 0.00 0.00 43.02 40.01 2khn s PHE 18 CO 0.06 0.25 0.00 0.41 -1.34 0.00 0.00 175.22 174.60 2khn n GLY 19 N 2.40 0.00 3.54 1.99 0.00 -1.26 -5.11 105.19 106.75 2khn n GLY 19 Ca -0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 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 0.58 3.56 -0.02 0.00 -1.26 -4.89 105.19 103.17 2khn n GLY 20 Ca 0.00 0.80 -0.14 0.00 0.00 0.00 0.00 46.02 46.69 2khn n GLY 20 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2khn s SER 21 N 9.18 -0.53 0.37 1.61 1.04 -1.26 -5.15 113.70 118.96 2khn s SER 21 Ca 1.04 0.67 0.00 0.00 0.48 0.00 0.00 55.95 58.14 2khn s SER 21 Cb -0.47 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.20 2khn s SER 21 CO 0.37 -0.43 0.00 0.18 0.98 0.00 0.00 173.24 174.34 2khn n LEU 22 N 1.11 -0.88 -3.53 2.42 4.77 -1.26 -4.93 117.00 114.70 2khn n LEU 22 Ca -0.14 1.66 -0.17 0.00 -0.03 0.00 0.00 56.01 57.32 2khn n LEU 22 Cb 0.57 -1.68 0.00 0.00 -2.33 0.00 0.00 43.42 39.98 2khn n LEU 22 CO 0.17 -0.83 -0.05 0.47 -1.33 0.00 0.00 177.39 175.81 2khn n ASP 23 N -2.69 -5.89 0.10 -1.43 8.00 -1.26 -4.89 116.55 108.49 2khn n ASP 23 Ca -0.02 -0.61 -0.05 0.00 0.71 0.00 0.00 54.79 54.81 2khn n ASP 23 Cb 0.35 -2.91 0.07 0.00 -0.02 0.00 0.00 41.12 38.61 2khn n ASP 23 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 2khn h THR 24 N 0.12 1.47 -0.09 -3.53 2.02 -2.02 -2.98 112.91 107.89 2khn h THR 24 Ca -0.42 -2.35 0.00 0.00 0.77 0.00 0.00 66.41 64.41 2khn h THR 24 Cb 1.27 2.27 0.00 0.00 -1.74 0.00 0.00 68.15 69.94 2khn h THR 24 CO 0.34 0.68 0.00 0.79 0.37 0.00 0.00 175.52 177.70 2khn n TRP 25 N -3.74 0.10 -2.70 3.16 5.03 -1.26 -4.92 117.44 113.11 2khn n TRP 25 Ca -0.02 -0.05 -0.22 0.00 3.03 0.00 0.00 57.50 60.24 2khn n TRP 25 Cb 0.70 0.00 0.08 0.00 -1.03 0.00 0.00 31.31 31.06 2khn n TRP 25 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 2khn s ALA 26 N -1.90 3.97 -0.30 6.99 0.00 -1.13 -3.65 121.76 125.74 2khn s ALA 26 Ca 0.34 -1.68 -0.16 0.00 0.00 0.00 0.00 51.96 50.46 2khn s ALA 26 Cb 0.20 -1.92 -0.03 0.00 0.00 0.00 0.00 23.12 21.38 2khn s ALA 26 CO 0.31 -1.10 0.41 0.42 0.00 0.00 0.00 175.76 175.80 2khn s ILE 27 N -2.92 5.13 0.56 0.00 1.01 -1.26 -4.97 121.20 118.75 2khn s ILE 27 Ca 0.62 0.47 0.06 0.00 0.00 0.00 0.00 60.65 61.80 2khn s ILE 27 Cb -0.07 -3.78 0.05 0.00 0.01 0.00 0.00 42.46 38.67 2khn s ILE 27 CO 0.41 0.04 0.44 -0.89 0.00 0.00 0.00 174.94 174.94 2khn s THR 28 N 2.14 1.62 0.50 2.92 2.01 -1.26 -4.97 115.64 118.60 2khn s THR 28 Ca 0.16 -1.46 0.17 0.00 0.31 0.00 0.00 61.69 60.87 2khn s THR 28 Cb -0.16 -2.07 0.25 0.00 0.01 0.00 0.00 72.50 70.53 2khn s THR 28 CO 0.11 0.00 2.11 0.58 -0.69 0.00 0.00 174.62 176.73 2khn h VAL 29 N 0.67 0.98 0.63 3.82 2.07 -1.97 -1.06 116.25 121.39 2khn h VAL 29 Ca -0.36 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 66.95 2khn h VAL 29 Cb 1.30 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 32.17 2khn h VAL 29 CO 0.56 0.05 -0.47 -0.08 0.02 0.00 0.00 177.57 177.65 2khn h GLU 30 N 0.00 -1.02 -0.57 1.57 4.57 -1.94 0.44 114.58 117.63 2khn h GLU 30 Ca -0.00 0.07 0.09 0.00 -1.18 0.00 0.00 59.36 58.33 2khn h GLU 30 Cb 0.10 0.23 -0.07 0.00 -0.16 0.00 0.00 28.75 28.85 2khn h GLU 30 CO 0.01 -0.68 0.20 0.93 -1.18 0.00 0.00 179.01 178.29 2khn h GLU 31 N -1.06 0.36 -0.59 1.92 3.07 -1.85 0.21 114.58 116.64 2khn h GLU 31 Ca -0.08 -0.02 -0.06 0.00 -0.50 0.00 0.00 59.36 58.70 2khn h GLU 31 Cb 0.88 -0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 28.68 2khn h GLU 31 CO 0.03 0.24 0.12 -0.09 -1.40 0.00 0.00 179.01 177.91 2khn h ARG 32 N 0.37 0.94 -0.11 2.33 2.43 -0.95 0.19 114.38 119.58 2khn h ARG 32 Ca 0.28 -0.22 -0.16 0.00 -0.81 0.00 0.00 59.98 59.08 2khn h ARG 32 Cb 0.34 -0.13 0.01 0.00 -0.42 0.00 0.00 29.97 29.77 2khn h ARG 32 CO -0.29 0.85 -0.54 0.00 -1.51 0.00 0.00 179.97 178.48 2khn h ALA 33 N 1.24 0.21 -0.12 2.80 0.00 0.48 -2.79 119.26 121.08 2khn h ALA 33 Ca 0.19 -0.52 -0.09 0.00 0.00 0.00 0.00 54.91 54.49 2khn h ALA 33 Cb 0.36 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2khn h ALA 33 CO 0.00 0.42 -0.31 0.87 0.00 0.00 0.00 179.25 180.24 2khn h LYS 34 N 0.17 0.23 0.39 0.00 1.79 -0.33 -1.24 116.57 117.58 2khn h LYS 34 Ca -0.04 -0.09 -0.01 0.00 -2.18 0.00 0.00 60.65 58.34 2khn h LYS 34 Cb 1.19 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.81 2khn h LYS 34 CO 0.11 0.52 -0.28 1.25 -1.08 0.00 0.00 179.45 179.97 2khn h HIS 35 N 0.20 -0.74 0.16 -1.35 -0.00 -0.64 -3.12 115.15 109.67 2khn h HIS 35 Ca 0.03 -0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.39 2khn h HIS 35 Cb 0.65 0.27 0.00 0.00 -0.00 0.00 0.00 27.41 28.34 2khn h HIS 35 CO 0.01 -0.42 -0.08 -0.44 -0.00 0.00 0.00 177.93 177.00 2khn h ASP 36 N -0.66 -0.19 -0.55 3.26 5.19 -1.19 -2.83 116.42 119.45 2khn h ASP 36 Ca -0.04 -0.32 -0.04 0.00 -0.62 0.00 0.00 57.03 56.01 2khn h ASP 36 Cb 0.56 0.05 -0.02 0.00 0.18 0.00 0.00 39.33 40.10 2khn h ASP 36 CO 0.01 0.38 0.18 1.56 -3.12 0.00 0.00 179.24 178.25 2khn h GLN 37 N -0.92 0.85 -0.11 3.56 7.50 -1.39 -1.48 115.11 123.12 2khn h GLN 37 Ca -0.02 -0.18 -0.22 0.00 0.50 0.00 0.00 58.65 58.73 2khn h GLN 37 Cb 0.50 -0.12 0.01 0.00 0.05 0.00 0.00 27.48 27.91 2khn h GLN 37 CO 0.04 0.77 -0.82 1.96 -1.50 0.00 0.00 178.83 179.28 2khn h GLN 38 N 0.76 0.68 -0.67 1.46 4.20 -1.68 -2.68 115.11 117.18 2khn h GLN 38 Ca 0.18 -0.59 -0.04 0.00 0.06 0.00 0.00 58.65 58.26 2khn h GLN 38 Cb 0.27 0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.15 2khn h GLN 38 CO -0.01 1.20 0.27 0.35 -0.67 0.00 0.00 178.83 179.97 2khn h PHE 39 N 0.45 1.01 -0.20 2.96 3.04 -1.36 -1.48 116.94 121.36 2khn h PHE 39 Ca -0.06 -0.07 -0.01 0.00 3.98 0.00 0.00 57.97 61.81 2khn h PHE 39 Cb 1.44 -0.30 -0.01 0.00 2.56 0.00 0.00 35.95 39.64 2khn h PHE 39 CO 0.08 0.79 0.09 1.25 -2.02 0.00 0.00 178.31 178.49 2khn h HIS 40 N 0.94 0.26 0.00 0.41 2.76 -1.23 -1.37 115.15 116.91 2khn h HIS 40 Ca 0.22 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.35 2khn h HIS 40 Cb 0.20 -0.08 -0.01 0.00 1.55 0.00 0.00 27.41 29.07 2khn h HIS 40 CO 0.01 0.20 -0.19 0.77 -1.30 0.00 0.00 177.93 177.42 2khn h SER 41 N 0.27 0.00 1.01 3.26 0.02 -0.94 -2.98 113.55 114.18 2khn h SER 41 Ca 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 2khn h SER 41 Cb 0.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.58 2khn h SER 41 CO -0.01 0.19 0.00 0.18 -1.14 0.00 0.00 176.83 176.05 2khn n LEU 42 N -3.21 0.07 -2.51 5.07 4.77 -0.52 -4.96 117.00 115.72 2khn n LEU 42 Ca 0.02 0.51 -0.02 0.00 -0.03 0.00 0.00 56.01 56.48 2khn n LEU 42 Cb 0.52 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 2khn n LEU 42 CO 0.34 -0.03 0.15 0.29 -1.33 0.00 0.00 177.39 176.82 2khn n LYS 43 N -1.57 -1.20 -1.80 3.23 5.02 -1.13 -4.96 118.16 115.75 2khn n LYS 43 Ca 0.07 1.36 -0.41 0.00 -2.02 0.00 0.00 58.31 57.31 2khn n LYS 43 Cb 0.34 -4.40 -0.00 0.00 -0.02 0.00 0.00 35.03 30.95 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 -2.63 4.11 0.00 1.97 0.04 -1.25 -4.69 135.00 132.54 2khn s PRO 44 Ca 0.07 2.58 0.00 0.00 0.04 0.00 0.00 61.00 63.69 2khn s PRO 44 Cb -0.02 -2.97 0.00 0.00 0.04 0.00 0.00 34.50 31.55 2khn s PRO 44 CO 0.52 -0.54 0.24 -0.89 0.04 0.00 0.00 177.00 176.37 2khn n ILE 45 N 0.48 0.00 -1.57 0.56 5.41 -1.03 0.42 119.36 123.63 2khn n ILE 45 Ca 0.01 0.55 -0.10 0.00 1.00 0.00 0.00 62.75 64.21 2khn n ILE 45 Cb 0.39 -1.17 0.16 0.00 -0.71 0.00 0.00 39.64 38.31 2khn n ILE 45 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 2khn n SER 46 N -1.16 3.25 0.00 4.38 3.41 -1.26 -1.12 113.62 121.12 2khn n SER 46 Ca 0.00 -3.80 0.00 0.00 -0.26 0.00 0.00 58.87 54.81 2khn n SER 46 Cb 0.00 -0.60 0.00 0.00 -0.26 0.00 0.00 64.21 63.35 2khn n SER 46 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2khn n GLY 47 N -1.03 0.24 3.18 5.00 0.00 -1.26 -5.06 105.19 106.26 2khn n GLY 47 Ca 0.36 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.28 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 -2.00 1.00 0.12 1.61 -0.71 -1.26 -4.98 117.98 111.76 2khn s PHE 48 Ca 0.00 -1.30 0.00 0.00 -1.04 0.00 0.00 56.93 54.59 2khn s PHE 48 Cb 0.00 -0.51 0.00 0.00 -1.21 0.00 0.00 43.02 41.30 2khn s PHE 48 CO 0.00 -0.58 0.02 0.44 -1.34 0.00 0.00 175.22 173.75 2khn n ILE 49 N -0.18 0.00 -4.21 -4.49 -5.35 -1.26 -2.45 119.36 101.42 2khn n ILE 49 Ca -0.02 -0.55 -0.11 0.00 -0.27 0.00 0.00 62.75 61.80 2khn n ILE 49 Cb 0.65 0.02 -0.03 0.00 -1.74 0.00 0.00 39.64 38.54 2khn n ILE 49 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 2khn n THR 50 N -0.38 0.00 -0.25 7.28 -1.04 -1.26 -4.84 114.28 113.78 2khn n THR 50 Ca -0.04 -1.03 0.15 0.00 -2.04 0.00 0.00 64.05 61.10 2khn n THR 50 Cb 0.15 0.38 0.45 0.00 -1.82 0.00 0.00 70.33 69.48 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 0.71 1.04 0.89 3.41 0.00 -1.69 0.20 103.07 107.63 2khn h GLY 51 Ca -0.13 -0.24 -0.04 0.00 0.00 0.00 0.00 47.33 46.92 2khn h GLY 51 CO 0.21 0.04 0.04 -1.80 0.00 0.00 0.00 176.54 175.03 2khn h ASP 52 N 0.54 0.51 0.78 0.19 3.58 -1.91 -0.34 116.42 119.77 2khn h ASP 52 Ca 0.46 -0.27 -0.14 0.00 0.42 0.00 0.00 57.03 57.50 2khn h ASP 52 Cb 0.93 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.83 2khn h ASP 52 CO -0.19 0.65 -0.65 1.56 -2.88 0.00 0.00 179.24 177.73 2khn h GLN 53 N 0.35 0.00 -0.70 0.28 1.08 -1.72 -2.78 115.11 111.62 2khn h GLN 53 Ca 0.09 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.28 2khn h GLN 53 Cb 0.36 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.76 2khn h GLN 53 CO 0.01 0.65 0.40 0.00 -0.95 0.00 0.00 178.83 178.93 2khn h ALA 54 N 1.35 0.90 -0.12 3.87 0.00 -0.69 -1.05 119.26 123.52 2khn h ALA 54 Ca -0.01 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.83 2khn h ALA 54 Cb 1.21 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 2khn h ALA 54 CO 0.08 0.40 -0.06 -0.09 0.00 0.00 0.00 179.25 179.58 2khn h ARG 55 N 0.96 -0.05 -0.79 0.00 9.65 -0.83 -2.37 114.38 120.96 2khn h ARG 55 Ca 0.25 0.00 0.01 0.00 -1.10 0.00 0.00 59.98 59.14 2khn h ARG 55 Cb 0.01 0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 28.57 2khn h ARG 55 CO -0.04 -0.03 0.52 -0.97 2.80 0.00 0.00 179.97 182.24 2khn h ASN 56 N -0.05 0.89 -0.04 -3.80 -1.24 -1.23 -1.04 115.58 109.07 2khn h ASN 56 Ca 0.07 -0.02 0.03 0.00 0.71 0.00 0.00 56.30 57.09 2khn h ASN 56 Cb 0.15 -0.22 -0.04 0.00 0.73 0.00 0.00 38.32 38.94 2khn h ASN 56 CO -0.15 0.64 -0.18 0.15 -1.29 0.00 0.00 177.43 176.59 2khn h PHE 57 N 1.05 -0.48 0.00 0.67 3.57 -0.65 -1.44 116.94 119.66 2khn h PHE 57 Ca 0.29 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.79 2khn h PHE 57 Cb -0.10 0.22 -0.00 0.00 2.79 0.00 0.00 35.95 38.86 2khn h PHE 57 CO -0.00 -0.26 -0.76 0.27 -2.23 0.00 0.00 178.31 175.33 2khn h PHE 58 N -0.28 0.00 -0.45 0.41 -5.15 -1.46 -3.33 116.94 106.68 2khn h PHE 58 Ca 0.07 0.00 -0.10 0.00 -0.20 0.00 0.00 57.97 57.74 2khn h PHE 58 Cb 0.37 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.52 2khn h PHE 58 CO -0.25 0.07 -0.11 0.35 -2.00 0.00 0.00 178.31 176.37 2khn h PHE 59 N 0.00 0.90 0.00 6.09 3.57 -0.85 -2.59 116.94 124.06 2khn h PHE 59 Ca -0.01 -0.17 0.00 0.00 3.53 0.00 0.00 57.97 61.32 2khn h PHE 59 Cb 1.07 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.58 2khn h PHE 59 CO 0.00 0.88 0.00 0.00 -2.23 0.00 0.00 178.31 176.96 2khn n GLN 60 N -4.16 0.04 0.18 1.11 10.64 -0.57 -1.94 117.38 122.68 2khn n GLN 60 Ca 0.01 0.25 0.12 0.00 -1.83 0.00 0.00 57.00 55.55 2khn n GLN 60 Cb 0.37 -1.50 0.23 0.00 -0.86 0.00 0.00 30.24 28.48 2khn n GLN 60 CO 0.00 0.00 0.00 1.03 -1.83 0.00 0.00 177.06 176.26 2khn h SER 61 N 0.00 0.00 0.00 2.61 0.87 -1.64 -3.47 113.55 111.92 2khn h SER 61 Ca 0.00 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2khn h SER 61 Cb 0.21 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.17 2khn h SER 61 CO 0.00 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 176.91 2khn n GLY 62 N 1.16 0.74 3.88 5.77 0.00 -0.82 -5.07 105.19 110.86 2khn n GLY 62 Ca 0.04 -0.66 -0.32 0.00 0.00 0.00 0.00 46.02 45.09 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 4.18 0.62 0.99 1.43 -1.26 -5.06 118.68 119.58 2khn s LEU 63 Ca 0.00 0.83 -0.18 0.00 -1.03 0.00 0.00 54.13 53.75 2khn s LEU 63 Cb 0.00 -3.59 -0.03 0.00 0.03 0.00 0.00 46.19 42.60 2khn s LEU 63 CO 0.00 -0.06 1.16 -2.65 0.23 0.00 0.00 176.35 175.03 2khn n PRO 64 N -0.16 1.07 -0.06 1.29 -0.02 -1.26 -4.75 135.00 131.11 2khn n PRO 64 Ca -0.00 0.41 -0.07 0.00 -2.02 0.00 0.00 63.50 61.82 2khn n PRO 64 Cb 0.52 -2.38 -0.01 0.00 -0.02 0.00 0.00 33.50 31.61 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 0.58 -0.06 -0.76 -0.52 7.50 -1.99 -0.28 115.11 119.58 2khn h GLN 65 Ca -0.50 0.00 0.06 0.00 0.50 0.00 0.00 58.65 58.71 2khn h GLN 65 Cb 1.35 0.01 -0.05 0.00 0.05 0.00 0.00 27.48 28.84 2khn h GLN 65 CO 0.52 -0.04 0.50 -1.35 -1.50 0.00 0.00 178.83 176.97 2khn h PRO 66 N -0.06 0.82 -0.48 1.46 0.11 -1.99 0.94 132.00 132.80 2khn h PRO 66 Ca 0.13 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 66.10 2khn h PRO 66 Cb 0.26 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.17 2khn h PRO 66 CO -0.30 0.54 -0.07 0.28 -0.21 0.00 0.00 178.00 178.24 2khn h VAL 67 N 0.84 1.27 -0.19 3.15 2.07 -1.69 -1.19 116.25 120.52 2khn h VAL 67 Ca 0.32 -1.18 -0.01 0.00 0.82 0.00 0.00 66.70 66.65 2khn h VAL 67 Cb 0.20 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 2khn h VAL 67 CO -0.11 0.41 0.09 -0.07 0.02 0.00 0.00 177.57 177.91 2khn h LEU 68 N 0.74 0.26 -1.49 2.57 3.38 -0.21 -1.99 115.31 118.57 2khn h LEU 68 Ca 0.13 -0.14 0.04 0.00 0.09 0.00 0.00 57.88 58.00 2khn h LEU 68 Cb 0.61 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 2khn h LEU 68 CO 0.04 0.32 0.39 0.00 0.09 0.00 0.00 178.44 179.28 2khn h ALA 69 N 0.95 1.73 -0.50 1.53 0.00 -0.72 -1.57 119.26 120.67 2khn h ALA 69 Ca 0.07 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 2khn h ALA 69 Cb 0.14 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2khn h ALA 69 CO -0.01 0.20 -0.08 1.96 0.00 0.00 0.00 179.25 181.33 2khn h GLN 70 N 0.65 0.93 -0.47 0.00 1.08 -0.86 -0.63 115.11 115.81 2khn h GLN 70 Ca 0.24 -0.34 -0.01 0.00 -1.45 0.00 0.00 58.65 57.09 2khn h GLN 70 Cb 0.13 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.48 2khn h GLN 70 CO -0.07 0.99 0.24 0.82 -0.95 0.00 0.00 178.83 179.87 2khn h ILE 71 N 0.78 1.18 -0.13 2.54 2.04 -0.57 -0.60 117.51 122.75 2khn h ILE 71 Ca 0.13 -0.49 -0.03 0.00 1.00 0.00 0.00 64.86 65.48 2khn h ILE 71 Cb 0.62 0.64 -0.00 0.00 -0.74 0.00 0.00 36.82 37.34 2khn h ILE 71 CO 0.04 0.19 -0.03 -0.25 0.00 0.00 0.00 178.15 178.10 2khn h TRP 72 N 0.62 0.28 0.00 1.37 7.01 -1.26 -1.20 115.95 122.77 2khn h TRP 72 Ca 0.16 -0.06 -0.03 0.00 2.11 0.00 0.00 58.89 61.08 2khn h TRP 72 Cb 0.09 -0.07 -0.00 0.00 -2.10 0.00 0.00 29.16 27.08 2khn h TRP 72 CO -0.01 0.55 -0.12 0.00 -2.79 0.00 0.00 178.44 176.06 2khn h ALA 73 N 0.69 1.58 0.01 2.65 0.00 -1.02 -0.44 119.26 122.73 2khn h ALA 73 Ca 0.03 -0.11 -0.20 0.00 0.00 0.00 0.00 54.91 54.63 2khn h ALA 73 Cb 0.46 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2khn h ALA 73 CO 0.01 0.15 -0.91 1.25 0.00 0.00 0.00 179.25 179.75 2khn h LEU 74 N 0.00 0.24 0.44 0.00 6.46 -0.94 -3.39 115.31 118.13 2khn h LEU 74 Ca -0.00 -0.21 -0.02 0.00 -0.12 0.00 0.00 57.88 57.53 2khn h LEU 74 Cb 0.25 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 40.11 2khn h LEU 74 CO 0.02 1.03 -0.21 0.00 -0.62 0.00 0.00 178.44 178.65 2khn h ALA 75 N 0.95 -1.01 -1.57 1.25 0.00 0.20 -3.36 119.26 115.70 2khn h ALA 75 Ca -0.05 -0.13 -0.61 0.00 0.00 0.00 0.00 54.91 54.13 2khn h ALA 75 Cb 1.56 0.23 -0.13 0.00 0.00 0.00 0.00 17.79 19.46 2khn h ALA 75 CO 0.14 -0.97 0.69 0.16 0.00 0.00 0.00 179.25 179.27 2khn s ASP 76 N -3.21 6.17 0.54 0.00 1.47 -1.17 -4.77 116.67 115.71 2khn s ASP 76 Ca -0.09 -0.86 0.38 0.00 1.18 0.00 0.00 52.55 53.16 2khn s ASP 76 Cb 0.01 -2.46 1.56 0.00 -0.34 0.00 0.00 42.92 41.69 2khn s ASP 76 CO 0.26 -1.55 1.79 0.24 0.68 0.00 0.00 175.17 176.59 2khn h MET 77 N 9.69 0.00 0.00 2.11 2.86 -1.83 0.75 114.93 128.52 2khn h MET 77 Ca -0.28 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.36 2khn h MET 77 Cb 1.06 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.72 2khn h MET 77 CO 1.21 0.00 -0.53 -1.71 1.06 0.00 0.00 176.91 176.94 2khn n ASN 78 N -4.17 0.52 -2.98 1.22 5.15 -1.26 -4.98 115.26 108.77 2khn n ASN 78 Ca 0.27 -0.24 -0.06 0.00 -0.60 0.00 0.00 54.58 53.95 2khn n ASN 78 Cb 1.30 0.27 0.01 0.00 -0.53 0.00 0.00 39.78 40.83 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 -1.55 -7.75 0.08 1.20 4.05 0.26 -4.97 115.26 106.59 2khn n ASN 79 Ca 0.05 0.24 -0.22 0.00 0.45 0.00 0.00 54.58 55.11 2khn n ASN 79 Cb 0.34 -5.16 -0.15 0.00 1.23 0.00 0.00 39.78 36.05 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 1.34 0.59 0.00 1.20 3.58 -1.94 -3.48 116.42 117.71 2khn h ASP 80 Ca -0.03 -0.82 0.00 0.00 0.42 0.00 0.00 57.03 56.60 2khn h ASP 80 Cb 1.02 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.88 2khn h ASP 80 CO 0.24 1.68 0.00 0.61 -2.88 0.00 0.00 179.24 178.89 2khn n GLY 81 N 1.78 1.06 0.17 -0.78 0.00 -1.26 -4.85 105.19 101.31 2khn n GLY 81 Ca -0.21 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.69 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 0.38 -2.51 1.61 3.00 -1.26 -4.14 116.66 111.74 2khn n ARG 82 Ca 0.00 0.10 -0.03 0.00 -0.01 0.00 0.00 57.85 57.92 2khn n ARG 82 Cb 0.00 -1.26 -0.02 0.00 0.00 0.00 0.00 32.46 31.18 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 -3.12 -3.59 -2.21 5.56 0.00 -1.26 -3.03 117.12 109.47 2khn n MET 83 Ca -0.28 2.83 -0.27 0.00 -0.00 0.00 0.00 57.70 59.97 2khn n MET 83 Cb 0.78 -4.73 0.15 0.00 0.00 0.00 0.00 33.22 29.42 2khn n MET 83 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 2khn s ASP 84 N -1.01 3.67 0.43 6.12 2.15 -1.26 -4.72 116.67 122.05 2khn s ASP 84 Ca -0.13 0.01 0.20 0.00 0.43 0.00 0.00 52.55 53.06 2khn s ASP 84 Cb 0.01 -0.21 1.15 0.00 -0.30 0.00 0.00 42.92 43.57 2khn s ASP 84 CO 0.70 -2.34 1.82 1.56 -0.17 0.00 0.00 175.17 176.74 2khn h GLN 85 N -1.15 0.34 0.53 4.34 1.08 -1.94 0.30 115.11 118.60 2khn h GLN 85 Ca -0.41 -0.02 -0.03 0.00 -1.45 0.00 0.00 58.65 56.74 2khn h GLN 85 Cb 1.25 -0.08 0.01 0.00 -0.05 0.00 0.00 27.48 28.61 2khn h GLN 85 CO 0.40 0.22 -0.25 0.28 -0.95 0.00 0.00 178.83 178.53 2khn h VAL 86 N 0.35 0.35 -0.30 -0.54 2.07 -1.99 0.19 116.25 116.39 2khn h VAL 86 Ca 0.52 -0.38 -0.02 0.00 0.82 0.00 0.00 66.70 67.64 2khn h VAL 86 Cb 1.40 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 2khn h VAL 86 CO -0.20 0.05 0.10 -0.33 0.02 0.00 0.00 177.57 177.21 2khn h GLU 87 N -0.98 0.42 -0.29 1.57 3.07 -1.67 -2.00 114.58 114.70 2khn h GLU 87 Ca -0.07 -0.05 -0.03 0.00 -0.50 0.00 0.00 59.36 58.71 2khn h GLU 87 Cb 0.62 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.44 2khn h GLU 87 CO 0.12 0.37 0.07 0.35 -1.40 0.00 0.00 179.01 178.52 2khn h PHE 88 N 0.42 0.48 0.00 4.33 3.57 -0.33 -2.60 116.94 122.81 2khn h PHE 88 Ca 0.10 -0.06 -0.04 0.00 3.53 0.00 0.00 57.97 61.51 2khn h PHE 88 Cb 0.12 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 2khn h PHE 88 CO 0.00 0.53 -0.18 0.77 -2.23 0.00 0.00 178.31 177.20 2khn h SER 89 N 0.30 0.00 0.24 0.41 0.02 0.10 0.10 113.55 114.72 2khn h SER 89 Ca 0.09 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 2khn h SER 89 Cb 0.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.83 2khn h SER 89 CO 0.00 0.18 -0.42 0.00 -1.14 0.00 0.00 176.83 175.45 2khn n ILE 90 N -3.84 0.00 -0.05 3.27 3.06 -0.94 -4.03 119.36 116.82 2khn n ILE 90 Ca -0.02 -0.11 -0.04 0.00 -2.50 0.00 0.00 62.75 60.08 2khn n ILE 90 Cb 0.28 0.56 -0.09 0.00 0.54 0.00 0.00 39.64 40.93 2khn n ILE 90 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2khn n ALA 91 N -0.82 1.79 -0.18 1.51 0.00 -0.72 -4.50 120.51 117.60 2khn n ALA 91 Ca 0.09 -0.72 0.09 0.00 0.00 0.00 0.00 53.44 52.90 2khn n ALA 91 Cb 0.36 -0.04 0.39 0.00 0.00 0.00 0.00 19.45 20.16 2khn n ALA 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2khn h MET 92 N 0.00 0.65 -0.01 0.00 -0.00 -0.97 -0.95 114.93 113.64 2khn h MET 92 Ca -0.28 -0.04 0.00 0.00 -0.00 0.00 0.00 59.70 59.38 2khn h MET 92 Cb 1.59 -0.15 0.00 0.00 -0.00 0.00 0.00 31.60 33.05 2khn h MET 92 CO 0.02 0.43 -0.50 0.36 -0.00 0.00 0.00 176.91 177.21 2khn n LYS 93 N -4.49 0.95 -0.09 -0.10 -0.00 -1.26 -3.92 118.16 109.26 2khn n LYS 93 Ca 0.12 -0.75 -0.03 0.00 -0.00 0.00 0.00 58.31 57.64 2khn n LYS 93 Cb 0.31 -1.48 0.19 0.00 -0.00 0.00 0.00 35.03 34.04 2khn n LYS 93 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 2khn h LEU 94 N 1.83 0.70 -0.81 -5.58 5.85 -1.40 -2.34 115.31 113.56 2khn h LEU 94 Ca 0.00 -0.16 0.10 0.00 0.84 0.00 0.00 57.88 58.66 2khn h LEU 94 Cb 0.67 -0.18 -0.08 0.00 0.37 0.00 0.00 40.66 41.44 2khn h LEU 94 CO 0.00 0.77 0.45 0.40 -0.34 0.00 0.00 178.44 179.72 2khn h ILE 95 N 0.69 0.87 -0.52 4.05 2.04 -1.67 -0.04 117.51 122.93 2khn h ILE 95 Ca 0.14 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 2khn h ILE 95 Cb 0.42 0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.55 2khn h ILE 95 CO 0.02 0.13 0.26 0.50 0.00 0.00 0.00 178.15 179.06 2khn h LYS 96 N 0.73 0.73 0.00 2.37 3.64 -1.63 0.92 116.57 123.34 2khn h LYS 96 Ca 0.40 -0.10 -0.07 0.00 -1.27 0.00 0.00 60.65 59.62 2khn h LYS 96 Cb 0.42 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 2khn h LYS 96 CO -0.27 0.59 -0.32 -0.07 -2.27 0.00 0.00 179.45 177.11 2khn h LEU 97 N 0.69 0.00 -0.29 5.20 -0.00 -1.19 -1.00 115.31 118.71 2khn h LEU 97 Ca 0.18 0.00 -0.20 0.00 -0.00 0.00 0.00 57.88 57.86 2khn h LEU 97 Cb 0.09 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.74 2khn h LEU 97 CO -0.03 0.32 -0.86 0.11 -0.00 0.00 0.00 178.44 177.99 2khn h LYS 98 N 0.00 0.29 0.00 1.13 1.79 -0.31 -1.78 116.57 117.69 2khn h LYS 98 Ca -0.00 -0.30 -0.09 0.00 -2.18 0.00 0.00 60.65 58.08 2khn h LYS 98 Cb 0.72 0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.44 2khn h LYS 98 CO 0.04 0.99 -0.44 -0.07 -1.08 0.00 0.00 179.45 178.89 2khn h LEU 99 N 0.17 0.00 -0.04 2.94 3.38 -0.37 -2.63 115.31 118.77 2khn h LEU 99 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2khn h LEU 99 Cb 1.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.22 2khn h LEU 99 CO 0.14 0.44 0.00 0.00 0.09 0.00 0.00 178.44 179.11 2khn n GLN 100 N -3.91 0.07 -2.52 1.13 6.02 -0.42 -4.92 117.38 112.82 2khn n GLN 100 Ca -0.01 0.11 -0.01 0.00 -0.01 0.00 0.00 57.00 57.07 2khn n GLN 100 Cb 0.48 -1.59 0.00 0.00 1.02 0.00 0.00 30.24 30.15 2khn n GLN 100 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2khn n GLY 101 N 1.16 0.86 4.02 1.08 0.00 -0.99 -5.07 105.19 106.25 2khn n GLY 101 Ca 0.06 -0.63 -0.21 0.00 0.00 0.00 0.00 46.02 45.24 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 -3.01 1.50 0.89 1.61 1.51 -0.70 -5.05 117.35 114.10 2khn s TYR 102 Ca 0.03 -0.52 -0.10 0.00 -1.01 0.00 0.00 57.07 55.46 2khn s TYR 102 Cb -0.01 -2.56 0.13 0.00 -0.11 0.00 0.00 41.96 39.41 2khn s TYR 102 CO 0.03 -1.39 1.14 -0.65 -1.11 0.00 0.00 175.55 173.58 2khn s GLN 103 N -4.87 1.22 -0.70 -0.62 -0.21 -1.26 -4.79 119.66 108.42 2khn s GLN 103 Ca 0.64 1.51 -0.01 0.00 0.02 0.00 0.00 55.36 57.52 2khn s GLN 103 Cb -0.06 -1.75 0.18 0.00 1.00 0.00 0.00 33.01 32.38 2khn s GLN 103 CO 0.41 -2.48 0.52 -0.48 -2.12 0.00 0.00 175.29 171.14 2khn s LEU 104 N -6.46 5.16 1.09 2.90 -0.00 -1.26 -4.89 118.68 115.22 2khn s LEU 104 Ca 0.66 -3.26 -0.17 0.00 -0.00 0.00 0.00 54.13 51.36 2khn s LEU 104 Cb -0.22 -1.81 0.24 0.00 -0.00 0.00 0.00 46.19 44.39 2khn s LEU 104 CO 0.57 -0.26 1.19 -2.84 -0.00 0.00 0.00 176.35 175.02 2khn s PRO 105 N -0.65 -0.34 0.00 1.48 0.02 -1.26 -5.01 135.00 129.25 2khn s PRO 105 Ca 0.21 -0.17 0.00 0.00 0.02 0.00 0.00 61.00 61.06 2khn s PRO 105 Cb -0.15 -1.71 0.00 0.00 0.02 0.00 0.00 34.50 32.66 2khn s PRO 105 CO -0.07 -3.11 0.38 -1.13 -0.33 0.00 0.00 177.00 172.74 2khn n SER 106 N -4.31 0.76 -4.31 2.53 3.41 -1.26 -4.90 113.62 105.55 2khn n SER 106 Ca 0.13 -0.94 -0.29 0.00 -0.26 0.00 0.00 58.87 57.51 2khn n SER 106 Cb 0.59 0.09 -0.15 0.00 -0.26 0.00 0.00 64.21 64.48 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 -0.09 2.12 0.26 7.33 0.00 -1.26 -4.89 121.76 125.23 2khn s ALA 107 Ca 0.00 -1.18 -0.15 0.00 0.00 0.00 0.00 51.96 50.63 2khn s ALA 107 Cb 0.00 -0.47 -0.08 0.00 0.00 0.00 0.00 23.12 22.57 2khn s ALA 107 CO 0.00 0.50 0.68 -0.51 0.00 0.00 0.00 175.76 176.43 2khn s LEU 108 N -1.03 4.20 0.56 0.00 1.43 -1.26 -5.07 118.68 117.51 2khn s LEU 108 Ca 0.10 1.24 -0.18 0.00 -1.03 0.00 0.00 54.13 54.26 2khn s LEU 108 Cb -0.10 -3.77 -0.05 0.00 0.03 0.00 0.00 46.19 42.31 2khn s LEU 108 CO 0.01 -0.08 1.09 -2.84 0.23 0.00 0.00 176.35 174.76 2khn s PRO 109 N -2.53 3.37 0.09 1.29 0.02 -1.26 -4.94 135.00 131.03 2khn s PRO 109 Ca 0.48 1.41 0.22 0.00 0.02 0.00 0.00 61.00 63.13 2khn s PRO 109 Cb -0.13 -2.03 0.90 0.00 0.02 0.00 0.00 34.50 33.26 2khn s PRO 109 CO 0.19 -0.80 1.70 -2.30 -0.33 0.00 0.00 177.00 175.46 2khn n PRO 110 N -1.58 0.09 0.05 5.54 -0.02 -1.26 -3.18 135.00 134.63 2khn n PRO 110 Ca 0.10 0.21 -0.10 0.00 -2.02 0.00 0.00 63.50 61.70 2khn n PRO 110 Cb 0.52 -1.63 -0.13 0.00 -0.02 0.00 0.00 33.50 32.24 2khn n PRO 110 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2khn h VAL 111 N 0.00 1.42 0.00 -1.45 2.07 -1.86 -2.86 116.25 113.57 2khn h VAL 111 Ca 0.00 -3.14 -0.15 0.00 0.82 0.00 0.00 66.70 64.24 2khn h VAL 111 Cb 0.42 2.75 -0.02 0.00 -1.52 0.00 0.00 31.29 32.92 2khn h VAL 111 CO 0.00 0.84 -0.70 0.24 0.02 0.00 0.00 177.57 177.97 2khn h MET 112 N 0.02 0.00 0.00 1.57 2.86 -1.61 -2.04 114.93 115.72 2khn h MET 112 Ca -0.12 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 2khn h MET 112 Cb 1.88 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.54 2khn h MET 112 CO 0.13 0.70 -0.17 1.57 1.06 0.00 0.00 176.91 180.20 2khn h LYS 113 N 0.00 0.00 0.00 1.72 2.10 -1.69 -3.48 116.57 115.22 2khn h LYS 113 Ca -0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 2khn h LYS 113 Cb 1.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.62 2khn h LYS 113 CO 0.09 0.00 0.00 1.04 -2.00 0.00 0.00 179.45 178.58 2khn n GLN 114 N -2.45 0.00 -1.64 0.07 6.02 -0.77 -4.84 117.38 113.78 2khn n GLN 114 Ca 0.04 0.00 -0.46 0.00 -0.01 0.00 0.00 57.00 56.57 2khn n GLN 114 Cb 0.46 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.69 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 0.00 1.74 -2.68 -1.09 7.27 -1.26 -4.76 117.38 116.60 2khn n GLN 115 Ca 0.00 0.62 -0.43 0.00 0.07 0.00 0.00 57.00 57.26 2khn n GLN 115 Cb 0.00 -2.23 -0.02 0.00 2.41 0.00 0.00 30.24 30.40 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 -0.36 4.32 -0.16 3.69 0.05 -1.26 -5.04 135.00 136.24 2khn s PRO 116 Ca 0.70 1.35 -0.11 0.00 0.05 0.00 0.00 61.00 62.99 2khn s PRO 116 Cb -0.72 -3.60 -0.05 0.00 0.05 0.00 0.00 34.50 30.18 2khn s PRO 116 CO 0.50 -0.51 0.21 0.14 0.05 0.00 0.00 177.00 177.40 2khn s VAL 117 N 2.74 5.36 -1.46 -0.36 -7.23 -1.26 -4.99 120.40 113.20 2khn s VAL 117 Ca 0.45 0.38 -0.09 0.00 -1.81 0.00 0.00 61.98 60.91 2khn s VAL 117 Cb -0.16 -3.54 0.03 0.00 0.56 0.00 0.00 36.38 33.27 2khn s VAL 117 CO 0.10 0.46 2.51 0.00 -0.31 0.00 0.00 175.10 177.86 2khn n ALA 118 N 3.19 6.68 -3.55 1.32 0.00 -1.26 -4.77 120.51 122.12 2khn n ALA 118 Ca -0.15 -3.87 -0.22 0.00 0.00 0.00 0.00 53.44 49.20 2khn n ALA 118 Cb 0.52 -3.17 -0.15 0.00 0.00 0.00 0.00 19.45 16.66 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 1.09 -0.21 0.12 0.00 2.07 -1.26 -5.14 121.20 117.86 2khn s ILE 119 Ca 0.57 -0.16 -0.08 0.00 -1.41 0.00 0.00 60.65 59.56 2khn s ILE 119 Cb 0.16 -0.65 -0.01 0.00 0.13 0.00 0.00 42.46 42.10 2khn s ILE 119 CO -0.07 -0.26 0.21 -0.44 -1.91 0.00 0.00 174.94 172.47 2khn s SER 120 N 2.23 0.12 0.00 4.50 0.01 -1.26 -5.26 113.70 114.04 2khn s SER 120 Ca 0.05 -0.77 0.31 0.00 1.31 0.00 0.00 55.95 56.85 2khn s SER 120 Cb -0.16 0.36 1.71 0.00 0.21 0.00 0.00 66.02 68.15 2khn s SER 120 CO -0.12 -0.78 2.12 -1.54 0.41 0.00 0.00 173.24 173.33