#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1le6 h ILE 2 N 0.00 0.95 -0.08 -0.61 6.09 -1.52 0.05 117.51 122.38 1le6 h ILE 2 Ca 0.00 -0.09 -0.01 0.00 -1.37 0.00 0.00 64.86 63.40 1le6 h ILE 2 Cb 0.00 0.68 -0.00 0.00 0.47 0.00 0.00 36.82 37.96 1le6 h ILE 2 CO 0.00 0.05 0.02 0.25 -3.07 0.00 0.00 178.15 175.40 1le6 h LEU 3 N 0.25 0.12 -0.59 2.19 5.85 -1.95 -0.63 115.31 120.54 1le6 h LEU 3 Ca 0.16 -0.20 -0.09 0.00 0.84 0.00 0.00 57.88 58.59 1le6 h LEU 3 Cb 0.33 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 1le6 h LEU 3 CO -0.03 0.29 0.02 -0.33 -0.34 0.00 0.00 178.44 178.05 1le6 h GLU 4 N -0.06 1.03 -0.22 1.25 3.07 -1.74 -1.12 114.58 116.79 1le6 h GLU 4 Ca 0.03 -0.32 0.01 0.00 -0.50 0.00 0.00 59.36 58.57 1le6 h GLU 4 Cb 0.22 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.01 1le6 h GLU 4 CO -0.00 1.01 0.13 1.25 -1.40 0.00 0.00 179.01 179.99 1le6 h LEU 5 N 0.93 0.21 -0.30 1.33 5.85 -0.85 0.26 115.31 122.73 1le6 h LEU 5 Ca 0.17 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 1le6 h LEU 5 Cb 0.53 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 1le6 h LEU 5 CO 0.03 0.15 0.12 0.00 -0.34 0.00 0.00 178.44 178.40 1le6 h ALA 6 N 1.09 0.39 -0.25 1.25 0.00 -1.03 -2.30 119.26 118.42 1le6 h ALA 6 Ca 0.08 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1le6 h ALA 6 Cb -0.01 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1le6 h ALA 6 CO -0.04 -0.01 0.15 0.78 0.00 0.00 0.00 179.25 180.13 1le6 h GLY 7 N 0.34 0.36 0.98 0.00 0.00 -0.88 -0.23 103.07 103.64 1le6 h GLY 7 Ca 0.10 -0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.28 1le6 h GLY 7 CO -0.01 0.14 0.21 -0.91 0.00 0.00 0.00 176.54 175.97 1le6 h THR 8 N 0.31 1.12 -0.66 4.70 1.35 -0.43 0.11 112.91 119.42 1le6 h THR 8 Ca 0.09 -0.28 -0.02 0.00 -0.55 0.00 0.00 66.41 65.64 1le6 h THR 8 Cb 0.01 0.68 -0.03 0.00 -1.73 0.00 0.00 68.15 67.07 1le6 h THR 8 CO -0.02 0.12 0.32 0.58 -0.25 0.00 0.00 175.52 176.27 1le6 h VAL 9 N 0.45 1.22 -0.42 6.82 2.07 -1.30 -2.38 116.25 122.72 1le6 h VAL 9 Ca 0.13 -0.63 -0.07 0.00 0.82 0.00 0.00 66.70 66.94 1le6 h VAL 9 Cb 0.01 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 1le6 h VAL 9 CO -0.02 0.26 -0.04 1.23 0.02 0.00 0.00 177.57 179.02 1le6 h GLY 10 N 0.91 0.74 0.91 2.17 0.00 -0.69 -1.95 103.07 105.16 1le6 h GLY 10 Ca 0.23 -0.50 0.02 0.00 0.00 0.00 0.00 47.33 47.08 1le6 h GLY 10 CO -0.03 0.46 0.30 0.00 0.00 0.00 0.00 176.54 177.27 1le6 n VAL 12 N -4.80 1.69 -1.77 0.00 0.31 -1.04 -4.33 118.33 108.39 1le6 n VAL 12 Ca 0.03 -0.59 -0.29 0.00 -0.01 0.00 0.00 64.34 63.48 1le6 n VAL 12 Cb 0.06 -1.67 0.12 0.00 -0.91 0.00 0.00 33.84 31.44 1le6 n VAL 12 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1le6 s GLY 13 N -5.79 1.60 0.00 2.92 0.00 -0.74 -4.86 107.32 100.46 1le6 s GLY 13 Ca -0.26 -0.67 0.25 0.00 0.00 0.00 0.00 44.72 44.03 1le6 s GLY 13 CO 0.71 -0.13 1.64 -1.55 0.00 0.00 0.00 173.10 173.77 1le6 n PRO 14 N -3.53 1.73 -4.07 2.90 -0.04 -1.26 -4.90 135.00 125.81 1le6 n PRO 14 Ca 0.08 -1.07 -0.09 0.00 -0.04 0.00 0.00 63.50 62.39 1le6 n PRO 14 Cb 0.60 -1.44 -0.09 0.00 -0.04 0.00 0.00 33.50 32.53 1le6 n PRO 14 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1le6 s ARG 15 N -1.89 0.83 0.33 0.54 1.70 -1.26 -5.13 118.95 114.07 1le6 s ARG 15 Ca 0.35 -1.27 -0.29 0.00 -0.47 0.00 0.00 55.73 54.05 1le6 s ARG 15 Cb 0.19 0.26 -0.12 0.00 -0.57 0.00 0.00 34.95 34.71 1le6 s ARG 15 CO 0.30 -0.23 1.44 -2.37 -1.08 0.00 0.00 175.30 173.37 1le6 n THR 16 N -0.03 1.62 0.23 4.99 5.66 -1.26 -4.73 114.28 120.76 1le6 n THR 16 Ca -0.10 -0.41 0.14 0.00 -3.05 0.00 0.00 64.05 60.64 1le6 n THR 16 Cb 0.62 -1.78 0.79 0.00 -1.55 0.00 0.00 70.33 68.41 1le6 n THR 16 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 175.07 171.37 1le6 h PRO 17 N 3.44 0.00 0.00 1.09 0.11 -1.90 -0.83 132.00 133.92 1le6 h PRO 17 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1le6 h PRO 17 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1le6 h PRO 17 CO 0.69 0.00 0.00 0.82 -0.21 0.00 0.00 178.00 179.30 1le6 h ILE 18 N 0.00 0.00 0.00 4.15 1.08 -1.96 -2.14 117.51 118.64 1le6 h ILE 18 Ca 0.05 -0.21 0.00 0.00 -0.39 0.00 0.00 64.86 64.31 1le6 h ILE 18 Cb 0.23 1.19 0.00 0.00 -3.07 0.00 0.00 36.82 35.18 1le6 h ILE 18 CO -0.00 0.00 0.00 0.00 -0.69 0.00 0.00 178.15 177.46 1le6 n ALA 19 N -2.07 1.21 -0.65 1.87 0.00 -0.32 -1.98 120.51 118.57 1le6 n ALA 19 Ca -0.01 0.17 0.07 0.00 0.00 0.00 0.00 53.44 53.66 1le6 n ALA 19 Cb 0.17 -1.33 0.17 0.00 0.00 0.00 0.00 19.45 18.45 1le6 n ALA 19 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1le6 n TYR 20 N -2.25 0.50 -0.01 0.00 4.02 -0.80 -4.66 117.16 113.97 1le6 n TYR 20 Ca -0.00 -0.75 -0.04 0.00 -0.01 0.00 0.00 57.90 57.10 1le6 n TYR 20 Cb 0.09 -0.17 0.18 0.00 -0.02 0.00 0.00 39.34 39.42 1le6 n TYR 20 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 176.86 176.37 1le6 h MET 21 N 1.26 0.54 -1.92 -0.72 2.86 -1.54 -3.35 114.93 112.06 1le6 h MET 21 Ca 0.00 -0.20 -0.36 0.00 -2.06 0.00 0.00 59.70 57.07 1le6 h MET 21 Cb 1.04 -0.03 -0.31 0.00 0.06 0.00 0.00 31.60 32.36 1le6 h MET 21 CO 0.09 0.74 -0.69 0.21 1.06 0.00 0.00 176.91 178.32 1le6 s LYS 22 N -4.53 0.67 -0.04 1.72 2.47 -1.24 -3.72 119.74 115.06 1le6 s LYS 22 Ca -0.07 -0.90 -0.02 0.00 -1.56 0.00 0.00 55.97 53.42 1le6 s LYS 22 Cb 0.14 -0.71 0.02 0.00 -1.46 0.00 0.00 37.83 35.82 1le6 s LYS 22 CO 0.80 -1.21 0.09 -0.47 0.16 0.00 0.00 175.35 174.72 1le6 s TYR 23 N 1.37 -0.09 0.00 4.03 6.14 -0.63 0.39 117.35 128.56 1le6 s TYR 23 Ca 0.18 0.29 0.00 0.00 0.64 0.00 0.00 57.07 58.18 1le6 s TYR 23 Cb -0.15 -0.08 0.00 0.00 0.42 0.00 0.00 41.96 42.16 1le6 s TYR 23 CO -0.03 -0.10 0.00 0.41 0.64 0.00 0.00 175.55 176.47 1le6 n GLY 24 N 3.76 1.00 0.04 8.97 0.00 0.33 -2.01 105.19 117.29 1le6 n GLY 24 Ca -0.21 -0.67 0.11 0.00 0.00 0.00 0.00 46.02 45.24 1le6 n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1le6 n PHE 26 N -2.03 0.00 -2.41 0.00 3.01 -1.25 -2.95 117.46 111.83 1le6 n PHE 26 Ca 0.02 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.06 1le6 n PHE 26 Cb 0.45 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.89 1le6 n PHE 26 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1le6 n GLY 28 N 5.17 1.33 3.64 0.00 0.00 -1.24 -1.61 105.19 112.48 1le6 n GLY 28 Ca 0.13 -2.10 -0.52 0.00 0.00 0.00 0.00 46.02 43.53 1le6 n GLY 28 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1le6 n LEU 29 N 0.00 2.25 0.00 0.99 4.77 -1.26 -4.61 117.00 119.13 1le6 n LEU 29 Ca 0.00 1.09 0.00 0.00 -0.03 0.00 0.00 56.01 57.07 1le6 n LEU 29 Cb 0.00 -1.23 0.00 0.00 -2.33 0.00 0.00 43.42 39.86 1le6 n LEU 29 CO 0.00 -0.66 0.00 0.61 -1.33 0.00 0.00 177.39 176.01 1le6 n GLY 30 N 3.31 1.37 0.00 -0.72 0.00 -1.26 -5.00 105.19 102.89 1le6 n GLY 30 Ca 0.21 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1le6 n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1le6 n GLY 31 N 0.00 4.84 3.61 -0.02 0.00 -1.26 -4.73 105.19 107.64 1le6 n GLY 31 Ca 0.00 -0.97 -0.09 0.00 0.00 0.00 0.00 46.02 44.96 1le6 n GLY 31 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1le6 s HIS 32 N -0.92 -0.27 0.00 1.61 -3.43 -1.15 -4.95 115.29 106.18 1le6 s HIS 32 Ca 0.00 -0.08 0.00 0.00 -0.80 0.00 0.00 55.06 54.18 1le6 s HIS 32 Cb 0.00 0.55 0.00 0.00 -1.43 0.00 0.00 32.58 31.70 1le6 s HIS 32 CO 0.00 -1.01 0.00 0.41 -2.00 0.00 0.00 174.74 172.14 1le6 n GLY 33 N -0.40 -1.87 3.61 -1.38 0.00 -0.98 -4.43 105.19 99.75 1le6 n GLY 33 Ca -0.10 -1.97 -0.42 0.00 0.00 0.00 0.00 46.02 43.53 1le6 n GLY 33 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1le6 s GLN 34 N 0.00 3.93 0.07 1.61 2.00 -1.26 -4.23 119.66 121.79 1le6 s GLN 34 Ca 0.00 0.63 -0.34 0.00 -2.00 0.00 0.00 55.36 53.65 1le6 s GLN 34 Cb 0.00 -3.75 -0.13 0.00 0.80 0.00 0.00 33.01 29.93 1le6 s GLN 34 CO 0.00 -0.78 1.72 -2.30 -0.50 0.00 0.00 175.29 173.43 1le6 n PRO 35 N 6.42 2.26 0.15 1.67 -0.02 -1.26 -4.77 135.00 139.45 1le6 n PRO 35 Ca 0.05 0.82 0.01 0.00 -2.02 0.00 0.00 63.50 62.36 1le6 n PRO 35 Cb 0.48 -2.63 0.32 0.00 -0.02 0.00 0.00 33.50 31.64 1le6 n PRO 35 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1le6 h ARG 36 N 7.38 0.08 0.00 -0.52 2.47 -1.94 -3.46 114.38 118.39 1le6 h ARG 36 Ca -0.46 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.23 1le6 h ARG 36 Cb 1.25 -0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.57 1le6 h ARG 36 CO 0.92 0.45 0.03 -0.40 0.56 0.00 0.00 179.97 181.52 1le6 n ASP 37 N -4.08 -0.16 -0.19 7.04 5.75 -1.26 -5.00 116.55 118.65 1le6 n ASP 37 Ca -0.02 -1.10 -0.01 0.00 -0.01 0.00 0.00 54.79 53.65 1le6 n ASP 37 Cb 0.42 0.26 0.09 0.00 -1.03 0.00 0.00 41.12 40.87 1le6 n ASP 37 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1le6 h ALA 38 N 2.00 0.74 -0.29 2.12 0.00 -1.93 -0.06 119.26 121.84 1le6 h ALA 38 Ca -0.02 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1le6 h ALA 38 Cb 0.09 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1le6 h ALA 38 CO 0.03 -0.17 0.17 0.82 0.00 0.00 0.00 179.25 180.11 1le6 h ILE 39 N 0.43 1.11 -0.27 0.00 2.04 -1.94 -1.34 117.51 117.54 1le6 h ILE 39 Ca 0.28 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.86 1le6 h ILE 39 Cb 0.31 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 1le6 h ILE 39 CO -0.26 0.11 0.10 -0.78 0.00 0.00 0.00 178.15 177.31 1le6 h ASP 40 N 0.36 0.33 -0.01 1.72 3.58 -1.74 -1.06 116.42 119.60 1le6 h ASP 40 Ca 0.10 -0.03 -0.13 0.00 0.42 0.00 0.00 57.03 57.40 1le6 h ASP 40 Cb 0.02 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 40.98 1le6 h ASP 40 CO -0.02 0.31 -0.39 -0.50 -2.88 0.00 0.00 179.24 175.76 1le6 h TRP 41 N 0.37 0.62 -0.65 0.28 4.06 -0.42 -0.94 115.95 119.27 1le6 h TRP 41 Ca 0.09 -0.17 -0.03 0.00 2.06 0.00 0.00 58.89 60.84 1le6 h TRP 41 Cb 0.09 -0.13 -0.03 0.00 -1.00 0.00 0.00 29.16 28.08 1le6 h TRP 41 CO 0.00 0.84 0.30 0.00 -3.56 0.00 0.00 178.44 176.02 1le6 h HIS 44 N 0.25 0.38 -0.36 0.00 6.17 -0.68 0.23 115.15 121.14 1le6 h HIS 44 Ca 0.03 -0.06 -0.03 0.00 0.71 0.00 0.00 60.37 61.02 1le6 h HIS 44 Cb 0.68 -0.10 -0.02 0.00 2.52 0.00 0.00 27.41 30.49 1le6 h HIS 44 CO 0.01 0.51 0.09 0.78 0.71 0.00 0.00 177.93 180.03 1le6 h GLY 45 N 0.14 0.57 1.27 5.26 0.00 -1.10 -1.06 103.07 108.14 1le6 h GLY 45 Ca 0.06 -0.29 -0.18 0.00 0.00 0.00 0.00 47.33 46.92 1le6 h GLY 45 CO 0.01 0.27 -0.56 0.84 0.00 0.00 0.00 176.54 177.10 1le6 h HIS 46 N 0.52 0.96 -0.75 5.60 6.17 -0.85 -1.21 115.15 125.59 1le6 h HIS 46 Ca 0.12 -0.34 -0.03 0.00 0.71 0.00 0.00 60.37 60.83 1le6 h HIS 46 Cb 0.20 -0.18 -0.03 0.00 2.52 0.00 0.00 27.41 29.91 1le6 h HIS 46 CO 0.01 1.14 0.34 -0.44 0.71 0.00 0.00 177.93 179.69 1le6 h ASP 47 N 0.58 1.00 -0.41 3.26 3.45 0.01 -0.21 116.42 124.09 1le6 h ASP 47 Ca 0.01 -0.14 -0.01 0.00 0.43 0.00 0.00 57.03 57.32 1le6 h ASP 47 Cb 1.14 -0.26 -0.02 0.00 -0.56 0.00 0.00 39.33 39.64 1le6 h ASP 47 CO 0.12 0.86 0.23 0.00 -1.57 0.00 0.00 179.24 178.88 1le6 h TYR 50 N 0.66 0.94 -0.34 0.00 -1.99 -0.86 -1.20 116.97 114.18 1le6 h TYR 50 Ca 0.17 -0.09 -0.01 0.00 2.00 0.00 0.00 58.73 60.80 1le6 h TYR 50 Cb 0.06 -0.28 -0.02 0.00 2.00 0.00 0.00 36.73 38.50 1le6 h TYR 50 CO -0.02 0.78 0.16 1.15 -0.00 0.00 0.00 178.16 180.23 1le6 h THR 51 N 0.88 1.17 -0.69 -2.88 2.02 -0.83 0.33 112.91 112.91 1le6 h THR 51 Ca 0.19 -0.48 0.02 0.00 0.77 0.00 0.00 66.41 66.92 1le6 h THR 51 Cb 0.30 0.85 -0.04 0.00 -1.74 0.00 0.00 68.15 67.52 1le6 h THR 51 CO -0.00 0.18 0.44 0.03 0.37 0.00 0.00 175.52 176.53 1le6 h ARG 52 N 0.41 0.84 -0.29 6.66 2.47 -1.07 0.09 114.38 123.49 1le6 h ARG 52 Ca 0.12 -0.05 -0.00 0.00 -1.26 0.00 0.00 59.98 58.79 1le6 h ARG 52 Cb 0.13 -0.19 -0.01 0.00 -1.65 0.00 0.00 29.97 28.25 1le6 h ARG 52 CO -0.01 0.55 0.18 0.00 0.56 0.00 0.00 179.97 181.24 1le6 h ALA 53 N 1.29 0.37 -0.79 0.04 0.00 -0.55 -1.98 119.26 117.63 1le6 h ALA 53 Ca 0.27 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1le6 h ALA 53 Cb -0.01 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 1le6 h ALA 53 CO -0.10 -0.13 0.47 0.93 0.00 0.00 0.00 179.25 180.42 1le6 h GLU 54 N 0.37 1.07 0.00 0.00 5.08 0.30 -0.98 114.58 120.42 1le6 h GLU 54 Ca 0.10 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1le6 h GLU 54 Cb 0.01 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.04 1le6 h GLU 54 CO -0.02 0.75 0.00 0.93 -1.00 0.00 0.00 179.01 179.67 1le6 h GLU 55 N 1.09 0.00 -0.19 2.33 5.08 -0.63 -1.95 114.58 120.31 1le6 h GLU 55 Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 1le6 h GLU 55 Cb -0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.21 1le6 h GLU 55 CO -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 177.96 1le6 n ALA 56 N -2.08 2.51 -0.63 3.43 0.00 -0.45 -4.90 120.51 118.39 1le6 n ALA 56 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 52.90 1le6 n ALA 56 Cb 0.28 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.66 1le6 n ALA 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1le6 n GLY 57 N 1.13 0.63 3.95 0.00 0.00 -0.73 -5.01 105.19 105.17 1le6 n GLY 57 Ca 0.16 -0.49 -0.23 0.00 0.00 0.00 0.00 46.02 45.46 1le6 n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1le6 s SER 59 N -4.22 4.36 0.51 0.00 0.01 -1.26 -4.33 113.70 108.76 1le6 s SER 59 Ca 0.49 -3.51 0.33 0.00 1.31 0.00 0.00 55.95 54.57 1le6 s SER 59 Cb -0.10 -1.50 1.45 0.00 0.21 0.00 0.00 66.02 66.09 1le6 s SER 59 CO 0.38 -0.14 1.78 -0.65 0.41 0.00 0.00 173.24 175.01 1le6 h PRO 60 N 5.77 0.09 0.00 12.44 0.11 -1.92 0.25 132.00 148.75 1le6 h PRO 60 Ca 0.09 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 66.12 1le6 h PRO 60 Cb 0.81 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.89 1le6 h PRO 60 CO 0.67 0.06 -0.43 0.87 -0.21 0.00 0.00 178.00 178.96 1le6 h LYS 61 N 0.09 0.00 0.00 1.05 1.57 -1.94 -3.33 116.57 114.01 1le6 h LYS 61 Ca 0.60 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.38 1le6 h LYS 61 Cb 2.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.50 1le6 h LYS 61 CO -0.10 0.34 -0.11 0.25 -0.57 0.00 0.00 179.45 179.26 1le6 n THR 62 N -3.16 0.00 -1.94 -0.16 -2.24 -0.73 -1.89 114.28 104.16 1le6 n THR 62 Ca 0.02 -0.06 -0.43 0.00 -2.27 0.00 0.00 64.05 61.31 1le6 n THR 62 Cb 0.68 0.58 -0.03 0.00 -2.10 0.00 0.00 70.33 69.46 1le6 n THR 62 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1le6 s GLU 63 N -0.35 3.64 0.43 -0.78 2.12 0.82 -4.57 118.70 120.01 1le6 s GLU 63 Ca 0.00 1.82 -0.22 0.00 0.36 0.00 0.00 54.97 56.93 1le6 s GLU 63 Cb 0.00 -4.15 -0.10 0.00 0.26 0.00 0.00 34.13 30.15 1le6 s GLU 63 CO 0.00 -1.50 0.99 1.03 -0.54 0.00 0.00 175.26 175.24 1le6 s ARG 64 N 5.13 4.14 0.05 4.30 1.81 -1.26 0.07 118.95 133.19 1le6 s ARG 64 Ca 0.81 1.27 -0.13 0.00 -1.72 0.00 0.00 55.73 55.96 1le6 s ARG 64 Cb -0.28 -2.27 0.02 0.00 -0.45 0.00 0.00 34.95 31.96 1le6 s ARG 64 CO 0.33 -0.13 0.28 1.52 -0.68 0.00 0.00 175.30 176.62 1le6 s TYR 65 N -1.99 -0.06 -0.04 -0.53 -0.85 -1.26 -4.87 117.35 107.76 1le6 s TYR 65 Ca 0.62 -0.11 -0.20 0.00 -0.52 0.00 0.00 57.07 56.86 1le6 s TYR 65 Cb -0.14 0.06 -0.05 0.00 0.38 0.00 0.00 41.96 42.22 1le6 s TYR 65 CO 0.18 -0.49 0.58 0.45 -1.52 0.00 0.00 175.55 174.75 1le6 s SER 66 N -2.11 6.91 0.25 -0.18 0.15 -1.26 -5.00 113.70 112.46 1le6 s SER 66 Ca -0.04 1.09 -0.18 0.00 0.70 0.00 0.00 55.95 57.51 1le6 s SER 66 Cb -0.01 -2.35 0.02 0.00 -1.71 0.00 0.00 66.02 61.97 1le6 s SER 66 CO -0.04 0.05 0.60 -1.66 1.20 0.00 0.00 173.24 173.40 1le6 s TRP 67 N 0.10 -0.02 -0.03 3.44 1.48 -1.26 -2.60 118.94 120.05 1le6 s TRP 67 Ca 0.31 -0.38 -0.06 0.00 -1.06 0.00 0.00 56.10 54.91 1le6 s TRP 67 Cb -0.17 0.48 0.01 0.00 -1.16 0.00 0.00 33.47 32.63 1le6 s TRP 67 CO 0.16 -1.09 0.14 -1.14 -4.06 0.00 0.00 176.95 170.96 1le6 s GLN 68 N -3.93 0.34 -0.34 3.25 0.74 -0.06 -4.92 119.66 114.73 1le6 s GLN 68 Ca 0.14 -0.12 -0.11 0.00 0.05 0.00 0.00 55.36 55.32 1le6 s GLN 68 Cb -0.03 0.14 0.01 0.00 1.10 0.00 0.00 33.01 34.23 1le6 s GLN 68 CO 0.05 -0.07 0.18 0.00 -0.55 0.00 0.00 175.29 174.91 1le6 s VAL 70 N 1.60 1.39 -1.40 0.00 1.01 -0.51 -4.77 120.40 117.72 1le6 s VAL 70 Ca 0.04 -0.52 -0.05 0.00 0.00 0.00 0.00 61.98 61.44 1le6 s VAL 70 Cb -0.18 -1.33 0.03 0.00 0.00 0.00 0.00 36.38 34.90 1le6 s VAL 70 CO 0.07 0.43 0.77 -3.20 0.00 0.00 0.00 175.10 173.16 1le6 n ASN 71 N 4.78 -2.35 -3.50 3.32 4.05 -1.26 -1.56 115.26 118.74 1le6 n ASN 71 Ca -0.16 -0.83 -0.25 0.00 0.45 0.00 0.00 54.58 53.79 1le6 n ASN 71 Cb 0.50 -3.85 0.04 0.00 1.23 0.00 0.00 39.78 37.70 1le6 n ASN 71 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1le6 n GLN 72 N -4.43 -5.80 -4.08 1.20 6.02 -1.26 -4.99 117.38 104.04 1le6 n GLN 72 Ca -0.18 0.74 -0.15 0.00 -0.01 0.00 0.00 57.00 57.40 1le6 n GLN 72 Cb 0.62 -5.65 -0.14 0.00 1.02 0.00 0.00 30.24 26.09 1le6 n GLN 72 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1le6 s SER 73 N -3.06 0.46 -0.18 1.08 1.04 -0.60 -4.25 113.70 108.18 1le6 s SER 73 Ca 0.51 -0.07 -0.23 0.00 0.48 0.00 0.00 55.95 56.64 1le6 s SER 73 Cb -0.24 -0.06 -0.02 0.00 0.10 0.00 0.00 66.02 65.80 1le6 s SER 73 CO 0.63 0.04 0.73 -0.69 0.98 0.00 0.00 173.24 174.93 1le6 s VAL 74 N -0.05 4.95 -0.32 5.02 1.01 -1.26 -1.43 120.40 128.33 1le6 s VAL 74 Ca 0.01 1.40 -0.06 0.00 0.00 0.00 0.00 61.98 63.33 1le6 s VAL 74 Cb -0.02 -4.04 0.03 0.00 0.00 0.00 0.00 36.38 32.35 1le6 s VAL 74 CO -0.00 0.07 0.08 -0.76 0.00 0.00 0.00 175.10 174.49 1le6 s LEU 75 N 2.03 4.05 -0.46 3.92 1.43 0.52 -4.97 118.68 125.20 1le6 s LEU 75 Ca 0.33 -0.95 -0.25 0.00 -1.03 0.00 0.00 54.13 52.23 1le6 s LEU 75 Cb -0.16 -1.86 0.03 0.00 0.03 0.00 0.00 46.19 44.23 1le6 s LEU 75 CO 0.11 -0.26 0.92 0.00 0.23 0.00 0.00 176.35 177.35 1le6 s GLY 77 N 2.26 1.54 -0.14 0.00 0.00 -1.07 -4.79 107.32 105.13 1le6 s GLY 77 Ca 0.37 -0.10 -0.34 0.00 0.00 0.00 0.00 44.72 44.65 1le6 s GLY 77 CO 0.26 0.63 1.95 -1.05 0.00 0.00 0.00 173.10 174.89 1le6 n PRO 78 N -5.01 2.01 -2.26 2.90 -0.02 -1.26 -4.88 135.00 126.48 1le6 n PRO 78 Ca 0.03 0.71 -0.40 0.00 -2.02 0.00 0.00 63.50 61.82 1le6 n PRO 78 Cb 0.54 -2.67 -0.03 0.00 -0.02 0.00 0.00 33.50 31.33 1le6 n PRO 78 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1le6 s ALA 79 N 4.83 3.41 -0.14 3.55 0.00 -1.26 -4.95 121.76 127.19 1le6 s ALA 79 Ca 0.96 1.09 -0.27 0.00 0.00 0.00 0.00 51.96 53.73 1le6 s ALA 79 Cb -0.69 -3.41 -0.26 0.00 0.00 0.00 0.00 23.12 18.76 1le6 s ALA 79 CO 0.50 -0.47 0.70 0.93 0.00 0.00 0.00 175.76 177.43 1le6 h GLU 80 N 3.39 0.03 -5.38 0.00 5.08 -1.95 -3.48 114.58 112.26 1le6 h GLU 80 Ca -0.48 -0.04 -0.52 0.00 -1.00 0.00 0.00 59.36 57.32 1le6 h GLU 80 Cb 1.22 0.02 -0.14 0.00 0.50 0.00 0.00 28.75 30.35 1le6 h GLU 80 CO 0.65 1.02 -0.61 0.54 -1.00 0.00 0.00 179.01 179.61 1le6 s ASN 81 N -6.37 2.84 0.31 1.42 2.20 -1.26 -5.06 114.94 109.02 1le6 s ASN 81 Ca -0.20 -1.36 -0.01 0.00 -0.94 0.00 0.00 52.86 50.35 1le6 s ASN 81 Cb -0.01 -0.18 0.47 0.00 -2.00 0.00 0.00 41.25 39.53 1le6 s ASN 81 CO 0.69 -0.54 1.98 0.50 -2.94 0.00 0.00 177.10 176.79 1le6 h LYS 82 N 2.03 1.05 -0.78 3.55 1.63 -2.00 -2.75 116.57 119.30 1le6 h LYS 82 Ca -0.42 -0.06 -0.05 0.00 -0.85 0.00 0.00 60.65 59.27 1le6 h LYS 82 Cb 1.24 -0.24 -0.03 0.00 -0.60 0.00 0.00 32.23 32.60 1le6 h LYS 82 CO 0.73 0.69 0.29 0.00 -3.45 0.00 0.00 179.45 177.71 1le6 h GLN 84 N 1.15 1.03 -0.36 0.00 4.20 -1.85 -1.32 115.11 117.96 1le6 h GLN 84 Ca 0.26 -0.34 -0.03 0.00 0.06 0.00 0.00 58.65 58.60 1le6 h GLN 84 Cb 0.25 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 1le6 h GLN 84 CO -0.02 1.03 0.11 1.49 -0.67 0.00 0.00 178.83 180.76 1le6 h GLU 85 N 0.92 0.57 0.01 1.46 4.81 -1.20 -2.52 114.58 118.63 1le6 h GLU 85 Ca 0.16 -0.13 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1le6 h GLU 85 Cb 0.57 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.87 1le6 h GLU 85 CO 0.03 0.59 -0.01 -0.07 -0.73 0.00 0.00 179.01 178.83 1le6 h LEU 86 N 0.43 -0.01 -0.64 1.64 3.38 -0.81 -2.14 115.31 117.15 1le6 h LEU 86 Ca 0.12 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1le6 h LEU 86 Cb 0.27 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 1le6 h LEU 86 CO -0.00 0.22 0.37 -0.07 0.09 0.00 0.00 178.44 179.05 1le6 h LEU 87 N -0.25 0.78 -1.07 1.67 3.38 -1.28 0.66 115.31 119.20 1le6 h LEU 87 Ca -0.00 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 1le6 h LEU 87 Cb 0.24 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1le6 h LEU 87 CO 0.00 0.63 0.03 0.00 0.09 0.00 0.00 178.44 179.19 1le6 h LYS 89 N 0.65 0.74 0.16 0.00 3.11 -0.66 0.17 116.57 120.74 1le6 h LYS 89 Ca 0.14 -0.17 -0.01 0.00 -2.81 0.00 0.00 60.65 57.79 1le6 h LYS 89 Cb 0.37 -0.10 0.00 0.00 -1.00 0.00 0.00 32.23 31.50 1le6 h LYS 89 CO 0.01 0.72 -0.08 0.00 -2.81 0.00 0.00 179.45 177.30 1le6 h ASP 91 N -0.29 1.07 -0.75 0.00 3.32 -0.99 -1.53 116.42 117.26 1le6 h ASP 91 Ca -0.02 -0.27 -0.01 0.00 0.02 0.00 0.00 57.03 56.75 1le6 h ASP 91 Cb 0.23 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.46 1le6 h ASP 91 CO 0.04 1.08 0.43 -0.61 -1.72 0.00 0.00 179.24 178.46 1le6 h GLN 92 N 1.02 1.02 -0.11 3.56 4.15 -0.59 -0.90 115.11 123.27 1le6 h GLN 92 Ca 0.19 -0.10 -0.00 0.00 0.77 0.00 0.00 58.65 59.51 1le6 h GLN 92 Cb 0.49 -0.21 -0.00 0.00 0.21 0.00 0.00 27.48 27.97 1le6 h GLN 92 CO 0.02 0.74 0.05 1.49 -1.93 0.00 0.00 178.83 179.20 1le6 h GLU 93 N 1.02 0.16 -0.44 1.69 4.81 -0.72 -1.56 114.58 119.54 1le6 h GLU 93 Ca 0.27 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.37 1le6 h GLU 93 Cb -0.01 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 1le6 h GLU 93 CO -0.05 0.23 -0.13 0.97 -0.73 0.00 0.00 179.01 179.30 1le6 h ILE 94 N 0.04 1.26 -0.67 2.32 2.10 -1.11 -0.53 117.51 120.92 1le6 h ILE 94 Ca 0.04 -1.22 0.02 0.00 1.08 0.00 0.00 64.86 64.78 1le6 h ILE 94 Cb 0.13 1.07 -0.04 0.00 -1.09 0.00 0.00 36.82 36.89 1le6 h ILE 94 CO -0.00 0.42 0.42 0.00 -1.08 0.00 0.00 178.15 177.91 1le6 h ALA 95 N 1.12 0.86 -0.39 0.18 0.00 -1.03 0.45 119.26 120.45 1le6 h ALA 95 Ca 0.12 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.85 1le6 h ALA 95 Cb 0.63 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1le6 h ALA 95 CO 0.04 0.20 -0.33 -0.91 0.00 0.00 0.00 179.25 178.26 1le6 h ASN 96 N 0.84 0.96 -0.59 0.00 2.35 -1.05 -2.41 115.58 115.69 1le6 h ASN 96 Ca 0.26 -0.45 -0.03 0.00 -0.55 0.00 0.00 56.30 55.54 1le6 h ASN 96 Cb -0.01 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.06 1le6 h ASN 96 CO -0.09 1.21 0.27 0.00 -1.65 0.00 0.00 177.43 177.17 1le6 h LEU 98 N 0.80 0.00 -0.93 0.00 3.38 -0.92 -3.37 115.31 114.28 1le6 h LEU 98 Ca 0.20 0.00 0.27 0.00 0.09 0.00 0.00 57.88 58.44 1le6 h LEU 98 Cb 0.15 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 40.75 1le6 h LEU 98 CO -0.02 0.68 0.31 0.00 0.09 0.00 0.00 178.44 179.50 1le6 h ALA 99 N 1.32 1.49 -0.53 1.53 0.00 -1.35 -1.94 119.26 119.79 1le6 h ALA 99 Ca -0.01 0.23 -0.16 0.00 0.00 0.00 0.00 54.91 54.98 1le6 h ALA 99 Cb 1.24 0.31 -0.09 0.00 0.00 0.00 0.00 17.79 19.25 1le6 h ALA 99 CO 0.09 -0.54 0.13 1.04 0.00 0.00 0.00 179.25 179.97 1le6 n GLN 100 N -5.22 3.06 -3.21 0.00 1.13 -1.26 -4.46 117.38 107.43 1le6 n GLN 100 Ca 0.25 -3.04 -0.25 0.00 -1.94 0.00 0.00 57.00 52.02 1le6 n GLN 100 Cb 0.81 -2.03 -0.01 0.00 0.11 0.00 0.00 30.24 29.12 1le6 n GLN 100 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1le6 s THR 101 N -3.01 5.05 -0.11 5.09 -4.23 -0.73 -5.09 115.64 112.60 1le6 s THR 101 Ca 0.49 -0.22 -0.06 0.00 -1.18 0.00 0.00 61.69 60.72 1le6 s THR 101 Cb 0.41 -3.84 -0.04 0.00 1.34 0.00 0.00 72.50 70.37 1le6 s THR 101 CO 0.09 -0.58 0.10 -1.61 -0.54 0.00 0.00 174.62 172.09 1le6 s GLU 102 N -4.26 3.35 -0.08 3.99 0.41 -1.26 -5.06 118.70 115.79 1le6 s GLU 102 Ca 0.42 -0.21 -0.20 0.00 -0.41 0.00 0.00 54.97 54.57 1le6 s GLU 102 Cb -0.10 -3.09 -0.04 0.00 -1.78 0.00 0.00 34.13 29.12 1le6 s GLU 102 CO 0.37 0.73 0.58 -0.47 -0.49 0.00 0.00 175.26 175.98 1le6 s TYR 103 N -0.91 3.56 -0.33 1.61 6.14 -1.26 -4.81 117.35 121.35 1le6 s TYR 103 Ca 0.14 1.07 -0.02 0.00 0.64 0.00 0.00 57.07 58.90 1le6 s TYR 103 Cb -0.12 -2.65 0.07 0.00 0.42 0.00 0.00 41.96 39.67 1le6 s TYR 103 CO 0.03 0.17 0.06 1.21 0.64 0.00 0.00 175.55 177.67 1le6 s ASN 104 N 0.55 5.02 0.59 4.32 3.84 -1.26 -4.98 114.94 123.02 1le6 s ASN 104 Ca 0.31 -1.49 0.29 0.00 0.21 0.00 0.00 52.86 52.18 1le6 s ASN 104 Cb -0.17 -1.75 1.63 0.00 -0.55 0.00 0.00 41.25 40.42 1le6 s ASN 104 CO 0.14 -0.34 2.06 -0.07 -2.79 0.00 0.00 177.10 176.10 1le6 h LEU 105 N 8.02 0.00 -1.68 3.21 4.07 -1.97 -1.39 115.31 125.56 1le6 h LEU 105 Ca -0.18 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.78 1le6 h LEU 105 Cb 1.06 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.80 1le6 h LEU 105 CO 0.58 0.00 0.00 0.07 -1.08 0.00 0.00 178.44 178.01 1le6 h LYS 106 N 0.00 0.00 -0.01 1.13 2.10 -2.04 -2.18 116.57 115.57 1le6 h LYS 106 Ca 0.11 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.76 1le6 h LYS 106 Cb 0.61 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.94 1le6 h LYS 106 CO -0.00 0.00 -0.53 0.66 -2.00 0.00 0.00 179.45 177.58 1le6 n TYR 107 N -2.64 0.00 -2.13 0.07 4.01 -0.52 -4.74 117.16 111.20 1le6 n TYR 107 Ca -0.01 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.31 1le6 n TYR 107 Cb 0.15 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.15 1le6 n TYR 107 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1le6 s LEU 108 N -2.45 4.36 -1.71 7.72 2.96 -0.82 -0.51 118.68 128.23 1le6 s LEU 108 Ca 0.14 2.34 -0.01 0.00 -0.22 0.00 0.00 54.13 56.38 1le6 s LEU 108 Cb 0.16 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 43.27 1le6 s LEU 108 CO 0.57 -0.70 0.11 0.49 -1.32 0.00 0.00 176.35 175.50 1le6 n PHE 109 N 4.35 -1.20 -1.73 5.38 3.72 0.16 -4.92 117.46 123.23 1le6 n PHE 109 Ca 0.12 0.09 -0.42 0.00 -0.05 0.00 0.00 57.45 57.20 1le6 n PHE 109 Cb 0.42 -4.01 -0.02 0.00 -0.94 0.00 0.00 39.48 34.93 1le6 n PHE 109 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 1le6 n TYR 110 N -4.07 2.79 -1.82 1.38 9.36 -0.90 -4.88 117.16 119.01 1le6 n TYR 110 Ca -0.22 0.18 -0.43 0.00 3.32 0.00 0.00 57.90 60.75 1le6 n TYR 110 Cb 0.67 -2.62 -0.03 0.00 -0.63 0.00 0.00 39.34 36.73 1le6 n TYR 110 CO 0.00 0.00 0.00 -2.14 0.22 0.00 0.00 176.86 174.94 1le6 s PRO 111 N 0.15 3.39 0.54 2.98 0.02 -1.26 -4.77 135.00 136.05 1le6 s PRO 111 Ca 0.69 1.82 0.26 0.00 0.02 0.00 0.00 61.00 63.78 1le6 s PRO 111 Cb -0.51 -4.24 1.44 0.00 0.02 0.00 0.00 34.50 31.21 1le6 s PRO 111 CO 0.42 -1.79 2.00 0.37 -0.33 0.00 0.00 177.00 177.67 1le6 h GLN 112 N 13.25 0.00 0.00 5.54 4.15 -1.89 -0.94 115.11 135.22 1le6 h GLN 112 Ca -0.38 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.04 1le6 h GLN 112 Cb 1.20 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.89 1le6 h GLN 112 CO 0.99 0.00 0.00 1.97 -1.93 0.00 0.00 178.83 179.86 1le6 n PHE 113 N -4.23 0.00 1.20 3.99 1.16 -1.26 -1.42 117.46 116.90 1le6 n PHE 113 Ca 0.08 0.00 0.13 0.00 -1.87 0.00 0.00 57.45 55.79 1le6 n PHE 113 Cb 0.57 -0.37 0.32 0.00 -1.61 0.00 0.00 39.48 38.39 1le6 n PHE 113 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 1le6 n LEU 114 N -1.37 1.16 -4.73 5.98 4.77 -0.35 -4.89 117.00 117.57 1le6 n LEU 114 Ca 0.05 -0.33 -0.41 0.00 -0.03 0.00 0.00 56.01 55.29 1le6 n LEU 114 Cb 0.13 -0.11 -0.04 0.00 -2.33 0.00 0.00 43.42 41.07 1le6 n LEU 114 CO 0.11 0.22 0.60 0.00 -1.33 0.00 0.00 177.39 176.99 1le6 s GLU 116 N 0.34 1.13 0.27 0.00 8.01 -1.26 -4.80 118.70 122.38 1le6 s GLU 116 Ca 0.46 1.60 0.01 0.00 0.01 0.00 0.00 54.97 57.04 1le6 s GLU 116 Cb -0.22 -1.74 0.36 0.00 -4.31 0.00 0.00 34.13 28.23 1le6 s GLU 116 CO 0.27 -2.56 1.70 -1.35 0.01 0.00 0.00 175.26 173.33 1le6 h PRO 117 N -1.69 0.53 -5.62 0.39 0.11 -1.96 -2.59 132.00 121.18 1le6 h PRO 117 Ca -0.44 -0.21 -0.63 0.00 0.11 0.00 0.00 66.00 64.84 1le6 h PRO 117 Cb 1.27 -0.03 -0.08 0.00 0.11 0.00 0.00 31.00 32.27 1le6 h PRO 117 CO 0.42 0.74 -0.39 -0.51 -0.21 0.00 0.00 178.00 178.06 1le6 s ASP 118 N -6.80 6.45 0.28 -2.05 1.01 -1.26 -4.62 116.67 109.68 1le6 s ASP 118 Ca -0.07 0.54 0.11 0.00 0.71 0.00 0.00 52.55 53.84 1le6 s ASP 118 Cb 0.14 -2.14 -0.05 0.00 1.01 0.00 0.00 42.92 41.88 1le6 s ASP 118 CO 0.80 0.28 -0.14 -0.44 0.21 0.00 0.00 175.17 175.88 1le6 s SER 119 N -0.45 3.83 0.44 0.27 0.01 -1.26 -3.29 113.70 113.24 1le6 s SER 119 Ca 0.16 -0.95 -0.24 0.00 1.31 0.00 0.00 55.95 56.23 1le6 s SER 119 Cb -0.13 -0.43 -0.08 0.00 0.21 0.00 0.00 66.02 65.59 1le6 s SER 119 CO 0.05 0.01 1.19 -2.84 0.41 0.00 0.00 173.24 172.05 1le6 s PRO 120 N -3.56 3.86 0.71 12.44 0.02 -1.26 -4.96 135.00 142.26 1le6 s PRO 120 Ca 0.31 1.85 -0.12 0.00 0.02 0.00 0.00 61.00 63.05 1le6 s PRO 120 Cb -0.05 -2.53 0.03 0.00 0.02 0.00 0.00 34.50 31.97 1le6 s PRO 120 CO 0.16 -0.48 1.09 0.15 -0.33 0.00 0.00 177.00 177.59 1le6 s LYS 121 N -2.52 2.59 0.16 5.54 1.02 -1.26 -5.02 119.74 120.25 1le6 s LYS 121 Ca 0.61 1.22 -0.17 0.00 0.02 0.00 0.00 55.97 57.65 1le6 s LYS 121 Cb -0.31 -1.93 -0.07 0.00 -0.52 0.00 0.00 37.83 35.00 1le6 s LYS 121 CO 0.38 -1.39 0.61 0.00 -0.92 0.00 0.00 175.35 174.03