#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2khn s GLY 2 N 0.00 0.05 0.62 3.03 0.00 -1.26 -5.16 107.32 104.61 2khn s GLY 2 Ca 0.00 2.71 -0.09 0.00 0.00 0.00 0.00 44.72 47.34 2khn s GLY 2 CO 0.00 1.04 0.99 0.30 0.00 0.00 0.00 173.10 175.43 2khn s HIS 3 N -1.16 3.42 -2.10 1.90 0.09 -1.26 -4.97 115.29 111.21 2khn s HIS 3 Ca 0.09 0.98 0.30 0.00 -0.00 0.00 0.00 55.06 56.44 2khn s HIS 3 Cb -0.01 -2.79 1.58 0.00 -0.00 0.00 0.00 32.58 31.36 2khn s HIS 3 CO -0.07 -0.84 2.05 1.58 -0.00 0.00 0.00 174.74 177.45 2khn n HIS 4 N -2.73 0.00 0.00 1.40 -0.00 -1.26 -4.90 115.22 107.73 2khn n HIS 4 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.77 2khn n HIS 4 Cb 0.56 -0.03 0.00 0.00 -0.00 0.00 0.00 29.99 30.53 2khn n HIS 4 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2khn n HIS 5 N -0.66 0.00 -1.83 1.57 -0.00 -1.26 -4.92 115.22 108.12 2khn n HIS 5 Ca 0.21 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.51 2khn n HIS 5 Cb 0.20 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.16 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 0.00 1.58 0.14 4.41 5.65 -1.26 -4.94 115.29 120.86 2khn s HIS 6 Ca 0.00 0.30 -0.18 0.00 0.25 0.00 0.00 55.06 55.43 2khn s HIS 6 Cb 0.00 -4.04 0.04 0.00 -1.18 0.00 0.00 32.58 27.40 2khn s HIS 6 CO 0.00 -3.95 0.46 -3.38 -0.65 0.00 0.00 174.74 167.22 2khn s HIS 7 N 6.15 -0.29 -0.01 3.88 -0.00 -1.26 -5.16 115.29 118.59 2khn s HIS 7 Ca 0.86 0.00 0.00 0.00 -0.00 0.00 0.00 55.06 55.92 2khn s HIS 7 Cb -0.32 0.35 0.01 0.00 -0.00 0.00 0.00 32.58 32.63 2khn s HIS 7 CO 0.34 -0.75 0.01 -3.38 -0.00 0.00 0.00 174.74 170.96 2khn s HIS 8 N -3.79 0.02 -0.29 0.38 0.00 -1.26 -5.13 115.29 105.22 2khn s HIS 8 Ca 0.03 0.06 -0.03 0.00 -3.00 0.00 0.00 55.06 52.12 2khn s HIS 8 Cb 0.01 -0.11 0.11 0.00 -4.00 0.00 0.00 32.58 28.59 2khn s HIS 8 CO -0.12 -0.04 0.19 -1.54 -1.00 0.00 0.00 174.74 172.23 2khn s SER 9 N 0.50 2.76 0.04 7.38 1.04 -1.26 -4.88 113.70 119.28 2khn s SER 9 Ca -0.04 -1.05 0.03 0.00 0.48 0.00 0.00 55.95 55.37 2khn s SER 9 Cb -0.06 -0.00 -0.02 0.00 0.10 0.00 0.00 66.02 66.03 2khn s SER 9 CO -0.01 -0.42 -0.09 -1.00 0.98 0.00 0.00 173.24 172.70 2khn s HIS 10 N 2.21 0.73 0.00 5.02 3.76 -1.26 -4.97 115.29 120.78 2khn s HIS 10 Ca 0.09 -0.43 0.00 0.00 -0.15 0.00 0.00 55.06 54.57 2khn s HIS 10 Cb -0.15 -0.44 0.00 0.00 1.11 0.00 0.00 32.58 33.10 2khn s HIS 10 CO -0.34 -0.05 0.00 -1.33 -0.85 0.00 0.00 174.74 172.17 2khn n MET 11 N 1.68 0.00 -0.93 1.40 0.00 -1.26 -4.97 117.12 113.04 2khn n MET 11 Ca -0.21 0.00 0.13 0.00 0.00 0.00 0.00 57.70 57.62 2khn n MET 11 Cb 0.55 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.74 2khn n MET 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2khn n ALA 12 N -3.00 -2.39 -2.94 3.04 0.00 -1.26 -4.99 120.51 108.97 2khn n ALA 12 Ca 0.00 0.29 -0.07 0.00 0.00 0.00 0.00 53.44 53.66 2khn n ALA 12 Cb 0.00 -0.83 0.01 0.00 0.00 0.00 0.00 19.45 18.63 2khn n ALA 12 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2khn n GLN 13 N -3.36 -2.09 -3.96 0.00 3.00 -1.26 -5.00 117.38 104.71 2khn n GLN 13 Ca 0.01 1.93 -0.31 0.00 -0.01 0.00 0.00 57.00 58.61 2khn n GLN 13 Cb 0.42 -5.55 -0.14 0.00 0.00 0.00 0.00 30.24 24.98 2khn n GLN 13 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.06 177.18 2khn s PHE 14 N -2.68 3.43 0.44 1.08 5.36 -1.26 -4.96 117.98 119.40 2khn s PHE 14 Ca 0.19 -3.07 -0.02 0.00 -0.96 0.00 0.00 56.93 53.08 2khn s PHE 14 Cb -0.05 -2.90 -0.02 0.00 -0.34 0.00 0.00 43.02 39.72 2khn s PHE 14 CO 0.77 -0.83 0.69 -1.25 -1.46 0.00 0.00 175.22 173.13 2khn s PRO 15 N 0.22 3.27 0.12 10.12 0.04 -1.26 -5.07 135.00 142.44 2khn s PRO 15 Ca 0.14 -0.24 -0.30 0.00 0.04 0.00 0.00 61.00 60.65 2khn s PRO 15 Cb -0.23 -2.51 -0.06 0.00 0.04 0.00 0.00 34.50 31.73 2khn s PRO 15 CO -0.03 -0.19 1.09 -0.08 0.04 0.00 0.00 177.00 177.83 2khn s THR 16 N -2.58 4.12 0.26 1.26 -1.32 -1.26 -4.77 115.64 111.35 2khn s THR 16 Ca 0.46 1.69 -0.30 0.00 -1.21 0.00 0.00 61.69 62.33 2khn s THR 16 Cb -0.10 -4.08 -0.10 0.00 -1.51 0.00 0.00 72.50 66.71 2khn s THR 16 CO 0.40 0.23 1.35 -2.16 -2.21 0.00 0.00 174.62 172.22 2khn s PRO 17 N 0.22 4.34 0.04 7.08 0.04 -1.26 -4.98 135.00 140.49 2khn s PRO 17 Ca 0.52 2.18 0.01 0.00 0.04 0.00 0.00 61.00 63.75 2khn s PRO 17 Cb -0.28 -3.13 -0.03 0.00 0.04 0.00 0.00 34.50 31.11 2khn s PRO 17 CO 0.32 -0.28 -0.05 -0.59 0.04 0.00 0.00 177.00 176.44 2khn s PHE 18 N -0.34 0.52 0.00 0.56 -0.71 -1.26 -4.90 117.98 111.85 2khn s PHE 18 Ca 0.55 -0.62 0.00 0.00 -1.04 0.00 0.00 56.93 55.82 2khn s PHE 18 Cb -0.39 -0.33 0.00 0.00 -1.21 0.00 0.00 43.02 41.09 2khn s PHE 18 CO 0.44 -0.17 0.00 0.41 -1.34 0.00 0.00 175.22 174.57 2khn n GLY 19 N 1.20 1.47 0.00 1.99 0.00 -1.26 -4.64 105.19 103.94 2khn n GLY 19 Ca -0.21 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.78 2khn n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2khn n GLY 20 N 0.00 2.83 3.50 -0.02 0.00 -1.26 -4.91 105.19 105.33 2khn n GLY 20 Ca 0.00 -1.94 -0.43 0.00 0.00 0.00 0.00 46.02 43.66 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 6.58 0.27 1.61 0.01 -1.26 -4.73 113.70 116.18 2khn s SER 21 Ca 0.00 -1.81 0.19 0.00 1.31 0.00 0.00 55.95 55.64 2khn s SER 21 Cb 0.00 -2.47 0.09 0.00 0.21 0.00 0.00 66.02 63.84 2khn s SER 21 CO 0.00 -1.25 1.29 -0.07 0.41 0.00 0.00 173.24 173.62 2khn h LEU 22 N 11.45 0.00 -7.86 2.44 4.07 -1.99 -3.40 115.31 120.03 2khn h LEU 22 Ca 0.18 0.00 -0.79 0.00 0.08 0.00 0.00 57.88 57.36 2khn h LEU 22 Cb 1.01 0.00 -0.26 0.00 1.08 0.00 0.00 40.66 42.50 2khn h LEU 22 CO 1.25 0.29 0.07 1.51 -1.08 0.00 0.00 178.44 180.48 2khn s ASP 23 N -6.05 6.71 0.23 -0.43 -4.77 -1.26 -4.91 116.67 106.19 2khn s ASP 23 Ca 0.03 -2.60 0.02 0.00 -3.30 0.00 0.00 52.55 46.70 2khn s ASP 23 Cb 0.07 -2.21 0.22 0.00 -1.09 0.00 0.00 42.92 39.92 2khn s ASP 23 CO 0.75 -0.60 1.55 0.74 0.70 0.00 0.00 175.17 178.30 2khn h THR 24 N 4.90 1.36 -0.47 2.11 2.02 -2.00 -2.81 112.91 118.02 2khn h THR 24 Ca 0.07 -1.90 0.00 0.00 0.77 0.00 0.00 66.41 65.35 2khn h THR 24 Cb 1.05 1.92 0.00 0.00 -1.74 0.00 0.00 68.15 69.37 2khn h THR 24 CO 0.78 0.57 0.00 0.79 0.37 0.00 0.00 175.52 178.03 2khn n TRP 25 N -3.91 0.67 -4.66 3.16 5.03 -1.26 -4.83 117.44 111.63 2khn n TRP 25 Ca -0.03 -0.32 -0.30 0.00 3.03 0.00 0.00 57.50 59.88 2khn n TRP 25 Cb 0.60 -0.02 -0.09 0.00 -1.03 0.00 0.00 31.31 30.78 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 -1.41 3.71 -0.47 6.99 0.00 -1.06 -2.05 121.76 127.46 2khn s ALA 26 Ca 0.32 -1.27 -0.12 0.00 0.00 0.00 0.00 51.96 50.89 2khn s ALA 26 Cb 0.17 0.06 0.10 0.00 0.00 0.00 0.00 23.12 23.45 2khn s ALA 26 CO 0.21 -0.08 0.37 0.42 0.00 0.00 0.00 175.76 176.68 2khn s ILE 27 N -2.80 4.63 0.58 0.00 -1.09 -1.26 -4.91 121.20 116.35 2khn s ILE 27 Ca 0.20 -1.48 -0.10 0.00 -2.23 0.00 0.00 60.65 57.04 2khn s ILE 27 Cb 0.05 -3.92 -0.04 0.00 -1.58 0.00 0.00 42.46 36.97 2khn s ILE 27 CO 0.10 -0.68 0.97 -0.89 -1.23 0.00 0.00 174.94 173.21 2khn s THR 28 N 1.49 4.73 0.63 2.92 2.01 -1.26 -4.87 115.64 121.28 2khn s THR 28 Ca 0.04 0.78 0.35 0.00 0.31 0.00 0.00 61.69 63.17 2khn s THR 28 Cb -0.26 -3.85 0.38 0.00 0.01 0.00 0.00 72.50 68.78 2khn s THR 28 CO 0.02 -1.03 2.22 0.58 -0.69 0.00 0.00 174.62 175.72 2khn h VAL 29 N -0.05 0.27 -0.03 3.82 2.07 -1.92 0.21 116.25 120.63 2khn h VAL 29 Ca -0.45 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 66.91 2khn h VAL 29 Cb 1.19 0.92 0.01 0.00 -1.52 0.00 0.00 31.29 31.89 2khn h VAL 29 CO 0.62 0.00 -0.60 -0.08 0.02 0.00 0.00 177.57 177.53 2khn h GLU 30 N 0.00 0.45 -0.91 1.57 4.81 -1.89 -3.09 114.58 115.53 2khn h GLU 30 Ca 0.02 -0.45 0.05 0.00 -0.13 0.00 0.00 59.36 58.85 2khn h GLU 30 Cb 0.20 0.12 -0.06 0.00 0.63 0.00 0.00 28.75 29.64 2khn h GLU 30 CO -0.00 1.10 0.58 0.93 -0.73 0.00 0.00 179.01 180.90 2khn h GLU 31 N -0.02 1.06 -0.69 1.92 4.39 -1.27 0.57 114.58 120.53 2khn h GLU 31 Ca -0.07 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.55 2khn h GLU 31 Cb 1.29 -0.24 -0.03 0.00 -0.10 0.00 0.00 28.75 29.67 2khn h GLU 31 CO 0.12 0.70 0.38 0.07 -1.16 0.00 0.00 179.01 179.12 2khn h ARG 32 N 1.09 0.96 0.12 2.33 0.11 -0.74 -0.92 114.38 117.34 2khn h ARG 32 Ca 0.38 -0.10 -0.29 0.00 0.10 0.00 0.00 59.98 60.07 2khn h ARG 32 Cb 0.09 -0.19 0.02 0.00 1.11 0.00 0.00 29.97 31.00 2khn h ARG 32 CO -0.15 0.71 -1.24 0.00 0.10 0.00 0.00 179.97 179.39 2khn h ALA 33 N 1.45 0.04 -0.87 0.08 0.00 -1.33 -3.34 119.26 115.29 2khn h ALA 33 Ca 0.25 -0.79 0.08 0.00 0.00 0.00 0.00 54.91 54.44 2khn h ALA 33 Cb 0.03 0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.84 2khn h ALA 33 CO -0.04 0.75 0.53 -0.22 0.00 0.00 0.00 179.25 180.27 2khn h LYS 34 N 0.23 0.90 -0.30 0.00 3.11 0.84 -2.36 116.57 118.99 2khn h LYS 34 Ca -0.18 -0.05 -0.05 0.00 -2.81 0.00 0.00 60.65 57.56 2khn h LYS 34 Cb 1.91 -0.20 -0.02 0.00 -1.00 0.00 0.00 32.23 32.92 2khn h LYS 34 CO 0.23 0.60 -0.03 0.45 -2.81 0.00 0.00 179.45 177.88 2khn h HIS 35 N 0.93 0.49 -0.37 1.91 3.86 -1.31 -2.63 115.15 118.02 2khn h HIS 35 Ca 0.40 -0.05 -0.11 0.00 -1.16 0.00 0.00 60.37 59.45 2khn h HIS 35 Cb 0.26 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.58 2khn h HIS 35 CO -0.04 0.51 -0.20 0.22 0.86 0.00 0.00 177.93 179.28 2khn h ASP 36 N 0.45 0.81 -0.56 2.45 1.82 -1.58 0.03 116.42 119.84 2khn h ASP 36 Ca 0.10 -0.41 -0.00 0.00 -0.39 0.00 0.00 57.03 56.32 2khn h ASP 36 Cb 0.35 -0.23 -0.03 0.00 0.68 0.00 0.00 39.33 40.10 2khn h ASP 36 CO 0.01 1.05 0.35 -0.61 -1.61 0.00 0.00 179.24 178.43 2khn h GLN 37 N 0.58 0.77 0.03 0.28 5.75 -1.42 0.32 115.11 121.42 2khn h GLN 37 Ca 0.08 -0.06 -0.00 0.00 -0.15 0.00 0.00 58.65 58.52 2khn h GLN 37 Cb 0.75 -0.17 0.00 0.00 1.07 0.00 0.00 27.48 29.13 2khn h GLN 37 CO 0.06 0.53 -0.02 1.96 -2.65 0.00 0.00 178.83 178.71 2khn h GLN 38 N 0.78 -0.04 -0.32 1.69 1.08 -1.28 -3.28 115.11 113.74 2khn h GLN 38 Ca 0.21 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.41 2khn h GLN 38 Cb -0.05 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.38 2khn h GLN 38 CO -0.04 0.58 0.20 0.35 -0.95 0.00 0.00 178.83 178.97 2khn h PHE 39 N -0.71 0.40 -0.91 2.96 3.57 -0.61 -1.49 116.94 120.14 2khn h PHE 39 Ca -0.00 0.01 0.19 0.00 3.53 0.00 0.00 57.97 61.69 2khn h PHE 39 Cb 0.64 -0.13 -0.07 0.00 2.79 0.00 0.00 35.95 39.17 2khn h PHE 39 CO 0.15 0.26 0.59 1.25 -2.23 0.00 0.00 178.31 178.32 2khn h HIS 40 N 0.43 0.66 0.00 0.41 2.76 -0.43 0.37 115.15 119.35 2khn h HIS 40 Ca 0.12 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.31 2khn h HIS 40 Cb -0.04 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 28.72 2khn h HIS 40 CO 0.00 0.18 0.00 0.77 -1.30 0.00 0.00 177.93 177.59 2khn h SER 41 N 0.50 0.00 0.32 3.26 0.02 -1.38 -3.22 113.55 113.05 2khn h SER 41 Ca 0.48 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.43 2khn h SER 41 Cb 1.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.59 2khn h SER 41 CO -0.21 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 175.66 2khn n LEU 42 N -2.66 0.00 -2.86 5.07 7.99 0.12 -4.89 117.00 119.78 2khn n LEU 42 Ca 0.04 0.38 -0.09 0.00 -0.01 0.00 0.00 56.01 56.32 2khn n LEU 42 Cb 0.41 -0.38 0.04 0.00 -0.11 0.00 0.00 43.42 43.38 2khn n LEU 42 CO 0.29 -0.22 0.09 0.29 -1.51 0.00 0.00 177.39 176.33 2khn n LYS 43 N -1.38 -1.62 -1.94 3.23 5.02 -1.22 -4.90 118.16 115.36 2khn n LYS 43 Ca 0.05 0.84 -0.42 0.00 -2.02 0.00 0.00 58.31 56.76 2khn n LYS 43 Cb 0.12 -4.95 -0.03 0.00 -0.02 0.00 0.00 35.03 30.15 2khn n LYS 43 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 2khn s PRO 44 N -3.84 4.22 0.23 1.97 0.02 -1.26 -4.91 135.00 131.42 2khn s PRO 44 Ca 0.28 2.37 -0.02 0.00 0.02 0.00 0.00 61.00 63.65 2khn s PRO 44 Cb -0.04 -3.13 0.26 0.00 0.02 0.00 0.00 34.50 31.61 2khn s PRO 44 CO 0.59 -0.56 1.64 0.97 -0.33 0.00 0.00 177.00 179.31 2khn h ILE 45 N 3.83 1.28 0.00 2.83 2.10 -1.86 -3.45 117.51 122.24 2khn h ILE 45 Ca -0.44 -1.40 0.00 0.00 1.08 0.00 0.00 64.86 64.10 2khn h ILE 45 Cb 1.21 1.37 0.00 0.00 -1.09 0.00 0.00 36.82 38.31 2khn h ILE 45 CO 0.87 0.45 0.00 -1.20 -1.08 0.00 0.00 178.15 177.19 2khn n SER 46 N -4.08 -2.84 -0.48 2.19 7.64 -1.26 -4.97 113.62 109.81 2khn n SER 46 Ca -0.01 0.77 0.00 0.00 1.01 0.00 0.00 58.87 60.64 2khn n SER 46 Cb 0.46 2.72 0.00 0.00 -1.01 0.00 0.00 64.21 66.37 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 -0.41 0.72 3.57 0.23 0.00 -1.26 -5.12 105.19 102.91 2khn n GLY 47 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 0.00 0.13 0.00 1.61 -0.71 -1.26 -4.69 117.98 113.06 2khn s PHE 48 Ca 0.00 -0.49 0.00 0.00 -1.04 0.00 0.00 56.93 55.40 2khn s PHE 48 Cb 0.00 0.30 0.00 0.00 -1.21 0.00 0.00 43.02 42.11 2khn s PHE 48 CO 0.00 -0.97 0.00 0.44 -1.34 0.00 0.00 175.22 173.35 2khn n ILE 49 N -0.36 0.00 -4.20 -4.49 -5.35 -1.26 -2.55 119.36 101.15 2khn n ILE 49 Ca -0.05 0.00 -0.13 0.00 -0.27 0.00 0.00 62.75 62.30 2khn n ILE 49 Cb 0.62 0.00 -0.10 0.00 -1.74 0.00 0.00 39.64 38.42 2khn n ILE 49 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 2khn s THR 50 N -1.43 0.00 0.27 7.28 2.01 -1.26 -4.94 115.64 117.56 2khn s THR 50 Ca 0.00 -1.97 0.00 0.00 0.31 0.00 0.00 61.69 60.03 2khn s THR 50 Cb 0.00 -2.49 0.25 0.00 0.01 0.00 0.00 72.50 70.28 2khn s THR 50 CO 0.00 0.00 1.78 1.23 -0.69 0.00 0.00 174.62 176.94 2khn h GLY 51 N 2.55 1.47 0.87 4.40 0.00 -1.78 -1.23 103.07 109.36 2khn h GLY 51 Ca -0.34 -0.30 0.02 0.00 0.00 0.00 0.00 47.33 46.71 2khn h GLY 51 CO 0.50 0.00 0.21 -1.80 0.00 0.00 0.00 176.54 175.45 2khn h ASP 52 N 0.71 0.33 -1.01 0.19 1.82 -1.96 -1.72 116.42 114.78 2khn h ASP 52 Ca 0.48 0.01 0.02 0.00 -0.39 0.00 0.00 57.03 57.15 2khn h ASP 52 Cb 0.64 -0.06 -0.05 0.00 0.68 0.00 0.00 39.33 40.54 2khn h ASP 52 CO -0.34 0.24 0.67 1.56 -1.61 0.00 0.00 179.24 179.75 2khn h GLN 53 N 0.43 1.30 0.38 0.28 1.08 -1.63 -1.59 115.11 115.36 2khn h GLN 53 Ca 0.16 -0.08 -0.01 0.00 -1.45 0.00 0.00 58.65 57.26 2khn h GLN 53 Cb 0.03 -0.29 -0.00 0.00 -0.05 0.00 0.00 27.48 27.16 2khn h GLN 53 CO -0.09 0.86 -0.23 0.00 -0.95 0.00 0.00 178.83 178.43 2khn h ALA 54 N 1.38 -0.57 -0.83 3.87 0.00 -0.63 -2.59 119.26 119.88 2khn h ALA 54 Ca 0.38 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.19 2khn h ALA 54 Cb -0.11 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 2khn h ALA 54 CO -0.09 -0.83 0.55 0.00 0.00 0.00 0.00 179.25 178.87 2khn h ARG 55 N -0.58 1.08 -0.49 0.00 3.08 -1.09 -1.99 114.38 114.40 2khn h ARG 55 Ca -0.04 -0.07 0.07 0.00 0.07 0.00 0.00 59.98 60.02 2khn h ARG 55 Cb 0.47 -0.24 -0.06 0.00 0.08 0.00 0.00 29.97 30.22 2khn h ARG 55 CO 0.04 0.72 0.15 -0.97 -1.07 0.00 0.00 179.97 178.84 2khn h ASN 56 N 1.11 0.12 -0.30 7.04 -0.73 -1.12 0.40 115.58 122.10 2khn h ASN 56 Ca 0.31 0.07 -0.06 0.00 1.87 0.00 0.00 56.30 58.49 2khn h ASN 56 Cb -0.11 0.07 -0.01 0.00 0.27 0.00 0.00 38.32 38.54 2khn h ASN 56 CO -0.07 0.10 -0.04 0.15 -0.37 0.00 0.00 177.43 177.19 2khn h PHE 57 N 0.31 0.63 -0.41 0.67 3.57 -1.11 0.09 116.94 120.69 2khn h PHE 57 Ca 0.24 -0.12 0.00 0.00 3.53 0.00 0.00 57.97 61.61 2khn h PHE 57 Cb 0.27 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.83 2khn h PHE 57 CO -0.18 0.73 0.26 0.74 -2.23 0.00 0.00 178.31 177.63 2khn h PHE 58 N 0.34 0.53 -0.61 0.41 0.04 -0.65 -1.50 116.94 115.49 2khn h PHE 58 Ca 0.08 0.01 -0.07 0.00 2.80 0.00 0.00 57.97 60.78 2khn h PHE 58 Cb 0.51 -0.18 -0.02 0.00 2.20 0.00 0.00 35.95 38.46 2khn h PHE 58 CO 0.05 0.35 0.09 0.35 -0.60 0.00 0.00 178.31 178.55 2khn h PHE 59 N 0.55 1.09 0.00 -0.55 3.57 -0.18 -2.42 116.94 118.99 2khn h PHE 59 Ca 0.15 -0.15 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 2khn h PHE 59 Cb -0.03 -0.30 -0.00 0.00 2.79 0.00 0.00 35.95 38.41 2khn h PHE 59 CO -0.04 0.93 -0.07 0.37 -2.23 0.00 0.00 178.31 177.27 2khn h GLN 60 N 0.93 0.00 -0.00 1.11 4.15 -0.57 0.12 115.11 120.85 2khn h GLN 60 Ca 0.19 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.61 2khn h GLN 60 Cb 0.44 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.13 2khn h GLN 60 CO 0.01 0.07 -0.02 0.43 -1.93 0.00 0.00 178.83 177.39 2khn n SER 61 N -3.53 0.04 -0.21 -0.69 7.64 -0.60 -4.90 113.62 111.37 2khn n SER 61 Ca -0.02 0.12 0.00 0.00 1.01 0.00 0.00 58.87 59.98 2khn n SER 61 Cb 0.19 -0.36 0.00 0.00 -1.01 0.00 0.00 64.21 63.04 2khn n SER 61 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2khn n GLY 62 N 1.39 0.87 3.26 0.23 0.00 0.03 -5.05 105.19 105.91 2khn n GLY 62 Ca 0.11 -0.21 -0.27 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.42 2.14 0.74 0.99 1.43 -1.20 -5.06 118.68 117.31 2khn s LEU 63 Ca 0.00 -0.51 -0.11 0.00 -1.03 0.00 0.00 54.13 52.48 2khn s LEU 63 Cb 0.00 -1.06 0.04 0.00 0.03 0.00 0.00 46.19 45.20 2khn s LEU 63 CO 0.00 0.20 1.08 -2.84 0.23 0.00 0.00 176.35 175.02 2khn s PRO 64 N -1.06 2.53 0.17 1.29 0.02 -1.26 -4.36 135.00 132.34 2khn s PRO 64 Ca 0.08 1.07 -0.14 0.00 0.02 0.00 0.00 61.00 62.03 2khn s PRO 64 Cb -0.09 -1.94 0.13 0.00 0.02 0.00 0.00 34.50 32.63 2khn s PRO 64 CO 0.01 -1.42 1.76 1.96 -0.33 0.00 0.00 177.00 178.98 2khn h GLN 65 N -0.96 0.36 -0.44 5.54 7.50 -1.99 0.12 115.11 125.23 2khn h GLN 65 Ca -0.44 -0.02 0.13 0.00 0.50 0.00 0.00 58.65 58.82 2khn h GLN 65 Cb 1.22 -0.08 -0.02 0.00 0.05 0.00 0.00 27.48 28.65 2khn h GLN 65 CO 0.54 0.24 0.32 -1.35 -1.50 0.00 0.00 178.83 177.07 2khn h PRO 66 N 0.37 0.00 0.10 1.46 0.11 -1.98 0.13 132.00 132.18 2khn h PRO 66 Ca 0.21 -0.00 -0.26 0.00 0.11 0.00 0.00 66.00 66.06 2khn h PRO 66 Cb 0.19 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.30 2khn h PRO 66 CO -0.20 0.00 -1.20 0.28 -0.21 0.00 0.00 178.00 176.67 2khn h VAL 67 N 0.00 1.54 0.22 3.15 2.07 -1.33 -2.13 116.25 119.77 2khn h VAL 67 Ca 0.21 -3.14 -0.01 0.00 0.82 0.00 0.00 66.70 64.58 2khn h VAL 67 Cb 0.84 2.92 0.00 0.00 -1.52 0.00 0.00 31.29 33.53 2khn h VAL 67 CO -0.00 0.91 -0.11 -0.07 0.02 0.00 0.00 177.57 178.32 2khn h LEU 68 N 0.06 -0.25 -1.94 2.57 3.38 0.85 -2.30 115.31 117.69 2khn h LEU 68 Ca -0.11 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 2khn h LEU 68 Cb 1.93 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 42.74 2khn h LEU 68 CO 0.19 -0.04 -0.07 0.00 0.09 0.00 0.00 178.44 178.61 2khn h ALA 69 N 0.28 1.79 -0.87 1.53 0.00 -0.92 -1.25 119.26 119.82 2khn h ALA 69 Ca -0.03 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 2khn h ALA 69 Cb 0.35 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 2khn h ALA 69 CO 0.05 0.09 0.43 0.37 0.00 0.00 0.00 179.25 180.19 2khn h GLN 70 N 0.00 1.24 -0.12 0.00 -0.00 -0.97 0.44 115.11 115.69 2khn h GLN 70 Ca -0.00 -0.17 -0.06 0.00 -0.00 0.00 0.00 58.65 58.42 2khn h GLN 70 Cb 0.13 -0.23 -0.00 0.00 0.00 0.00 0.00 27.48 27.38 2khn h GLN 70 CO 0.01 0.94 -0.14 0.82 0.00 0.00 0.00 178.83 180.46 2khn h ILE 71 N 1.23 1.36 -0.49 2.39 2.04 -0.73 -3.21 117.51 120.11 2khn h ILE 71 Ca 0.30 -1.33 -0.09 0.00 1.00 0.00 0.00 64.86 64.73 2khn h ILE 71 Cb 0.10 1.96 -0.02 0.00 -0.74 0.00 0.00 36.82 38.12 2khn h ILE 71 CO -0.04 0.39 -0.07 -0.25 0.00 0.00 0.00 178.15 178.17 2khn h TRP 72 N -0.09 0.95 0.00 1.37 7.01 -0.98 0.04 115.95 124.24 2khn h TRP 72 Ca 0.02 -0.17 -0.01 0.00 2.11 0.00 0.00 58.89 60.83 2khn h TRP 72 Cb 0.68 -0.25 -0.00 0.00 -2.10 0.00 0.00 29.16 27.50 2khn h TRP 72 CO 0.09 0.90 -0.06 0.00 -2.79 0.00 0.00 178.44 176.58 2khn h ALA 73 N 1.12 1.82 0.18 2.65 0.00 -0.19 0.14 119.26 124.98 2khn h ALA 73 Ca 0.14 -0.06 -0.30 0.00 0.00 0.00 0.00 54.91 54.69 2khn h ALA 73 Cb 0.58 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.38 2khn h ALA 73 CO 0.04 0.08 -1.40 -0.07 0.00 0.00 0.00 179.25 177.90 2khn h LEU 74 N 0.00 0.61 -0.11 0.00 3.38 -1.43 -3.39 115.31 114.36 2khn h LEU 74 Ca -0.00 -0.92 -0.01 0.00 0.09 0.00 0.00 57.88 57.04 2khn h LEU 74 Cb 0.11 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 2khn h LEU 74 CO 0.01 1.65 0.01 0.00 0.09 0.00 0.00 178.44 180.20 2khn h ALA 75 N 0.08 0.15 -0.26 1.53 0.00 -0.08 -3.35 119.26 117.33 2khn h ALA 75 Ca -0.27 -0.16 -0.63 0.00 0.00 0.00 0.00 54.91 53.85 2khn h ALA 75 Cb 1.95 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.68 2khn h ALA 75 CO 0.18 -0.19 2.37 -3.47 0.00 0.00 0.00 179.25 178.14 2khn n ASP 76 N -4.83 3.60 -0.16 0.00 2.03 0.41 -4.51 116.55 113.09 2khn n ASP 76 Ca -0.06 -2.79 -0.11 0.00 0.52 0.00 0.00 54.79 52.35 2khn n ASP 76 Cb 0.18 -1.54 -0.00 0.00 -0.72 0.00 0.00 41.12 39.04 2khn n ASP 76 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 2khn h MET 77 N 7.47 0.92 0.00 -0.67 2.86 -1.86 -2.40 114.93 121.24 2khn h MET 77 Ca 0.45 -0.37 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 2khn h MET 77 Cb 0.75 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.36 2khn h MET 77 CO 1.71 1.02 -0.20 0.27 1.06 0.00 0.00 176.91 180.77 2khn n ASN 78 N -4.21 0.21 -3.32 1.22 6.94 -1.26 -4.96 115.26 109.87 2khn n ASN 78 Ca -0.00 0.20 -0.10 0.00 -0.02 0.00 0.00 54.58 54.66 2khn n ASN 78 Cb 0.41 -0.20 0.00 0.00 -2.36 0.00 0.00 39.78 37.63 2khn n ASN 78 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 2khn n ASN 79 N -1.51 -6.72 -0.02 0.53 4.05 -0.91 -4.94 115.26 105.74 2khn n ASN 79 Ca 0.06 -0.37 0.01 0.00 0.45 0.00 0.00 54.58 54.73 2khn n ASN 79 Cb 0.34 -3.96 -0.13 0.00 1.23 0.00 0.00 39.78 37.26 2khn n ASN 79 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 177.26 173.54 2khn n ASP 80 N -1.99 0.34 0.00 1.20 2.03 -1.26 -4.98 116.55 111.89 2khn n ASP 80 Ca -0.11 0.15 0.00 0.00 0.52 0.00 0.00 54.79 55.34 2khn n ASP 80 Cb 0.57 0.98 0.00 0.00 -0.72 0.00 0.00 41.12 41.95 2khn n ASP 80 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2khn n GLY 81 N 1.45 3.10 0.03 0.27 0.00 -1.26 -4.64 105.19 104.14 2khn n GLY 81 Ca -0.15 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.27 0.32 -1.17 1.61 3.00 -1.26 -4.36 116.66 113.53 2khn n ARG 82 Ca 0.00 0.03 0.15 0.00 -0.01 0.00 0.00 57.85 58.03 2khn n ARG 82 Cb 0.00 -1.13 -0.05 0.00 0.00 0.00 0.00 32.46 31.28 2khn n ARG 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2khn n MET 83 N -2.66 -2.49 -3.38 5.56 0.00 -1.26 -4.44 117.12 108.44 2khn n MET 83 Ca -0.11 1.80 -0.14 0.00 0.00 0.00 0.00 57.70 59.25 2khn n MET 83 Cb 0.62 -2.99 -0.04 0.00 0.00 0.00 0.00 33.22 30.80 2khn n MET 83 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 2khn n ASP 84 N -3.87 0.53 0.34 3.17 5.68 -1.26 -4.87 116.55 116.27 2khn n ASP 84 Ca -0.02 -2.29 0.22 0.00 -0.50 0.00 0.00 54.79 52.20 2khn n ASP 84 Cb 0.54 0.75 1.18 0.00 -1.14 0.00 0.00 41.12 42.45 2khn n ASP 84 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 2khn h GLN 85 N 0.00 0.00 0.39 0.11 1.08 -1.89 0.14 115.11 114.94 2khn h GLN 85 Ca -0.17 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.01 2khn h GLN 85 Cb 0.72 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.15 2khn h GLN 85 CO 0.26 0.00 -0.19 0.28 -0.95 0.00 0.00 178.83 178.24 2khn h VAL 86 N 0.00 0.52 -0.42 -0.54 2.07 -1.96 -0.17 116.25 115.74 2khn h VAL 86 Ca 0.00 -0.57 -0.07 0.00 0.82 0.00 0.00 66.70 66.88 2khn h VAL 86 Cb 0.06 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 2khn h VAL 86 CO 0.00 0.09 -0.03 -0.33 0.02 0.00 0.00 177.57 177.32 2khn h GLU 87 N -0.89 0.70 0.00 1.57 3.07 -1.56 -2.98 114.58 114.49 2khn h GLU 87 Ca -0.05 -0.19 -0.11 0.00 -0.50 0.00 0.00 59.36 58.51 2khn h GLU 87 Cb 0.54 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.36 2khn h GLU 87 CO 0.09 0.73 -0.51 0.35 -1.40 0.00 0.00 179.01 178.26 2khn h PHE 88 N 0.65 0.00 -0.92 4.33 3.57 -0.77 -3.16 116.94 120.64 2khn h PHE 88 Ca 0.13 0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.73 2khn h PHE 88 Cb 0.45 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 39.12 2khn h PHE 88 CO 0.02 0.51 0.59 1.03 -2.23 0.00 0.00 178.31 178.24 2khn h SER 89 N 0.00 0.83 1.29 0.41 0.87 -0.85 -1.03 113.55 115.07 2khn h SER 89 Ca -0.01 0.03 -0.04 0.00 -1.23 0.00 0.00 61.79 60.55 2khn h SER 89 Cb 1.03 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.85 2khn h SER 89 CO 0.07 0.48 -0.17 -0.29 -0.53 0.00 0.00 176.83 176.38 2khn h ILE 90 N 0.91 0.36 -0.00 2.23 2.10 -1.68 -3.04 117.51 118.40 2khn h ILE 90 Ca 0.44 -1.15 -0.19 0.00 1.08 0.00 0.00 64.86 65.03 2khn h ILE 90 Cb 0.44 1.88 -0.01 0.00 -1.09 0.00 0.00 36.82 38.03 2khn h ILE 90 CO -0.20 0.17 -0.86 0.00 -1.08 0.00 0.00 178.15 176.19 2khn h ALA 91 N 1.83 0.55 0.00 0.18 0.00 -1.31 -3.26 119.26 117.24 2khn h ALA 91 Ca -0.00 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 54.19 2khn h ALA 91 Cb 0.86 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2khn h ALA 91 CO 0.02 0.92 0.00 -1.33 0.00 0.00 0.00 179.25 178.86 2khn n MET 92 N -3.66 0.07 -0.00 0.00 2.81 -1.11 -1.42 117.12 113.80 2khn n MET 92 Ca -0.03 0.22 0.08 0.00 -1.81 0.00 0.00 57.70 56.15 2khn n MET 92 Cb 0.80 -1.50 -0.11 0.00 -0.71 0.00 0.00 33.22 31.70 2khn n MET 92 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 2khn n LYS 93 N -1.43 1.13 0.09 0.03 -0.00 -1.23 -4.37 118.16 112.38 2khn n LYS 93 Ca 0.05 -0.08 -0.08 0.00 -0.00 0.00 0.00 58.31 58.20 2khn n LYS 93 Cb 0.15 -1.32 -0.04 0.00 -0.00 0.00 0.00 35.03 33.83 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 0.00 0.14 -0.35 -5.58 5.85 -1.33 -3.26 115.31 110.78 2khn h LEU 94 Ca 0.00 -0.12 0.06 0.00 0.84 0.00 0.00 57.88 58.66 2khn h LEU 94 Cb 0.56 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.49 2khn h LEU 94 CO 0.00 0.98 -0.02 0.40 -0.34 0.00 0.00 178.44 179.47 2khn h ILE 95 N 0.05 0.72 -0.16 4.05 1.08 -1.73 0.27 117.51 121.79 2khn h ILE 95 Ca -0.03 -0.03 0.04 0.00 -0.39 0.00 0.00 64.86 64.45 2khn h ILE 95 Cb 1.59 0.64 -0.04 0.00 -3.07 0.00 0.00 36.82 35.94 2khn h ILE 95 CO 0.13 0.01 -0.10 0.50 -0.69 0.00 0.00 178.15 178.00 2khn h LYS 96 N 0.08 -0.10 -0.25 2.37 1.63 -1.80 0.88 116.57 119.38 2khn h LYS 96 Ca 0.17 0.01 -0.08 0.00 -0.85 0.00 0.00 60.65 59.90 2khn h LYS 96 Cb 0.24 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.89 2khn h LYS 96 CO -0.30 -0.06 -0.14 1.25 -3.45 0.00 0.00 179.45 176.74 2khn h LEU 97 N -0.10 0.57 -0.86 5.20 5.85 -1.47 -3.04 115.31 121.46 2khn h LEU 97 Ca 0.10 -0.42 -0.11 0.00 0.84 0.00 0.00 57.88 58.29 2khn h LEU 97 Cb 0.24 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 2khn h LEU 97 CO -0.23 0.86 -0.52 0.11 -0.34 0.00 0.00 178.44 178.33 2khn h LYS 98 N 0.27 0.00 0.00 1.25 1.57 -0.33 -1.72 116.57 117.61 2khn h LYS 98 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2khn h LYS 98 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.97 2khn h LYS 98 CO 0.04 0.52 0.00 -0.07 -0.57 0.00 0.00 179.45 179.37 2khn h LEU 99 N 0.00 0.00 -0.59 2.94 3.38 -0.77 -1.07 115.31 119.20 2khn h LEU 99 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2khn h LEU 99 Cb 1.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.75 2khn h LEU 99 CO 0.07 0.00 -0.27 0.00 0.09 0.00 0.00 178.44 178.32 2khn n GLN 100 N -2.48 0.93 -0.31 1.13 6.02 -0.66 -4.95 117.38 117.06 2khn n GLN 100 Ca 0.01 -0.59 0.00 0.00 -0.01 0.00 0.00 57.00 56.42 2khn n GLN 100 Cb 0.23 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.00 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 1.34 0.63 3.21 1.08 0.00 -0.41 -5.11 105.19 105.94 2khn n GLY 101 Ca 0.12 -0.30 -0.13 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.62 1.10 -0.00 1.61 1.51 -1.20 -5.00 117.35 113.74 2khn s TYR 102 Ca 0.00 -0.86 -0.21 0.00 -1.01 0.00 0.00 57.07 54.99 2khn s TYR 102 Cb 0.00 -0.60 0.04 0.00 -0.11 0.00 0.00 41.96 41.30 2khn s TYR 102 CO 0.00 -0.05 0.47 1.14 -1.11 0.00 0.00 175.55 176.00 2khn s GLN 103 N -3.80 0.89 -0.08 -0.62 -2.07 -1.26 -4.36 119.66 108.36 2khn s GLN 103 Ca 0.15 -0.10 -0.14 0.00 -1.82 0.00 0.00 55.36 53.46 2khn s GLN 103 Cb 0.04 0.41 0.03 0.00 -1.09 0.00 0.00 33.01 32.40 2khn s GLN 103 CO -0.01 -0.28 0.35 -1.17 -1.32 0.00 0.00 175.29 172.85 2khn s LEU 104 N -1.51 0.69 1.08 2.60 2.96 -1.26 -5.16 118.68 118.08 2khn s LEU 104 Ca -0.10 0.43 -0.15 0.00 -0.22 0.00 0.00 54.13 54.09 2khn s LEU 104 Cb -0.02 1.29 0.15 0.00 0.50 0.00 0.00 46.19 48.10 2khn s LEU 104 CO 0.04 -0.29 0.48 -2.65 -1.32 0.00 0.00 176.35 172.61 2khn n PRO 105 N 2.09 -1.44 0.00 0.98 -0.02 -1.26 -4.86 135.00 130.49 2khn n PRO 105 Ca -0.17 -0.39 0.10 0.00 -2.02 0.00 0.00 63.50 61.02 2khn n PRO 105 Cb 0.57 -1.93 0.61 0.00 -0.02 0.00 0.00 33.50 32.73 2khn n PRO 105 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2khn n SER 106 N -2.75 0.00 -4.55 2.55 3.41 -1.26 -4.57 113.62 106.44 2khn n SER 106 Ca 0.04 -0.73 -0.43 0.00 -0.26 0.00 0.00 58.87 57.49 2khn n SER 106 Cb 0.57 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.47 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 -2.00 3.34 0.36 7.33 0.00 -1.26 -4.74 121.76 124.79 2khn s ALA 107 Ca 0.31 -0.90 -0.26 0.00 0.00 0.00 0.00 51.96 51.10 2khn s ALA 107 Cb 0.14 -3.41 -0.09 0.00 0.00 0.00 0.00 23.12 19.76 2khn s ALA 107 CO 0.24 -1.75 1.06 -0.51 0.00 0.00 0.00 175.76 174.79 2khn s LEU 108 N 3.17 4.27 0.65 0.00 2.01 -1.26 -5.03 118.68 122.50 2khn s LEU 108 Ca 0.29 2.09 -0.16 0.00 0.01 0.00 0.00 54.13 56.37 2khn s LEU 108 Cb -0.13 -4.01 -0.00 0.00 0.01 0.00 0.00 46.19 42.06 2khn s LEU 108 CO 0.20 -0.37 1.15 -2.16 1.01 0.00 0.00 176.35 176.19 2khn s PRO 109 N -2.16 2.71 0.33 1.29 0.04 -1.26 -4.92 135.00 131.03 2khn s PRO 109 Ca 0.53 1.58 0.25 0.00 0.04 0.00 0.00 61.00 63.41 2khn s PRO 109 Cb -0.25 -1.92 1.14 0.00 0.04 0.00 0.00 34.50 33.51 2khn s PRO 109 CO 0.31 -1.35 1.77 -1.00 0.04 0.00 0.00 177.00 176.76 2khn h PRO 110 N 0.21 0.00 0.16 0.56 0.13 -1.94 -2.84 132.00 128.28 2khn h PRO 110 Ca -0.48 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.35 2khn h PRO 110 Cb 1.27 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.42 2khn h PRO 110 CO 0.53 0.00 -1.30 0.28 -0.23 0.00 0.00 178.00 177.28 2khn h VAL 111 N 0.00 1.39 -0.56 1.56 2.07 -1.89 -0.50 116.25 118.32 2khn h VAL 111 Ca 0.00 -2.81 -0.00 0.00 0.82 0.00 0.00 66.70 64.71 2khn h VAL 111 Cb 0.29 2.91 -0.03 0.00 -1.52 0.00 0.00 31.29 32.94 2khn h VAL 111 CO 0.00 0.83 0.35 0.24 0.02 0.00 0.00 177.57 179.01 2khn h MET 112 N 0.14 0.75 0.00 1.57 2.86 -1.15 -2.57 114.93 116.53 2khn h MET 112 Ca -0.18 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.40 2khn h MET 112 Cb 2.00 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 33.50 2khn h MET 112 CO 0.23 0.53 -0.88 0.36 1.06 0.00 0.00 176.91 178.21 2khn n LYS 113 N -4.66 0.44 -1.30 1.72 2.85 -1.25 -4.67 118.16 111.30 2khn n LYS 113 Ca 0.03 0.09 0.17 0.00 -1.05 0.00 0.00 58.31 57.55 2khn n LYS 113 Cb 0.04 -1.74 -0.05 0.00 -0.65 0.00 0.00 35.03 32.64 2khn n LYS 113 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 2khn n GLN 114 N -2.36 -2.68 -3.92 -1.58 6.02 -0.20 -4.77 117.38 107.91 2khn n GLN 114 Ca 0.01 1.84 -0.31 0.00 -0.01 0.00 0.00 57.00 58.54 2khn n GLN 114 Cb 0.49 -3.24 -0.15 0.00 1.02 0.00 0.00 30.24 28.36 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 -2.43 1.33 -0.35 -1.09 0.74 -1.26 -4.86 119.66 111.74 2khn s GLN 115 Ca 0.00 -1.40 -0.41 0.00 0.05 0.00 0.00 55.36 53.59 2khn s GLN 115 Cb 0.00 -2.69 -0.16 0.00 1.10 0.00 0.00 33.01 31.26 2khn s GLN 115 CO 0.00 -0.85 1.80 -2.30 -0.55 0.00 0.00 175.29 173.38 2khn n PRO 116 N 4.53 0.83 -2.65 1.67 -0.02 -1.26 -4.86 135.00 133.23 2khn n PRO 116 Ca -0.02 0.29 -0.42 0.00 -2.02 0.00 0.00 63.50 61.33 2khn n PRO 116 Cb 0.42 -1.97 -0.03 0.00 -0.02 0.00 0.00 33.50 31.90 2khn n PRO 116 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2khn s VAL 117 N 4.03 3.94 -0.04 -1.45 -7.23 -1.26 -4.54 120.40 113.85 2khn s VAL 117 Ca 1.03 0.20 0.02 0.00 -1.81 0.00 0.00 61.98 61.41 2khn s VAL 117 Cb -1.17 -4.83 0.05 0.00 0.56 0.00 0.00 36.38 30.99 2khn s VAL 117 CO 0.67 -1.69 0.64 0.00 -0.31 0.00 0.00 175.10 174.41 2khn n ALA 118 N 8.76 1.08 -1.52 1.32 0.00 -1.26 -5.12 120.51 123.77 2khn n ALA 118 Ca 0.01 -0.39 -0.49 0.00 0.00 0.00 0.00 53.44 52.57 2khn n ALA 118 Cb 0.48 -0.38 -0.06 0.00 0.00 0.00 0.00 19.45 19.50 2khn n ALA 118 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 2khn n ILE 119 N -0.18 0.28 -3.43 0.00 3.06 -1.26 -4.88 119.36 112.95 2khn n ILE 119 Ca -0.13 -0.29 -0.02 0.00 -2.50 0.00 0.00 62.75 59.82 2khn n ILE 119 Cb 0.53 -1.89 -0.00 0.00 0.54 0.00 0.00 39.64 38.82 2khn n ILE 119 CO 0.00 0.00 0.00 -1.20 -2.50 0.00 0.00 176.55 172.85 2khn n SER 120 N 9.80 -0.21 -0.88 9.51 7.64 -1.26 -5.31 113.62 132.92 2khn n SER 120 Ca 0.36 -1.22 0.11 0.00 1.01 0.00 0.00 58.87 59.13 2khn n SER 120 Cb 0.29 0.37 0.09 0.00 -1.01 0.00 0.00 64.21 63.95 2khn n SER 120 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49