#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1le7 h ILE 2 N 0.00 0.91 -0.48 -0.61 1.08 -1.79 0.04 117.51 116.67 1le7 h ILE 2 Ca 0.00 -0.03 -0.13 0.00 -0.39 0.00 0.00 64.86 64.30 1le7 h ILE 2 Cb 0.00 0.80 -0.01 0.00 -3.07 0.00 0.00 36.82 34.54 1le7 h ILE 2 CO 0.00 0.02 -0.22 -0.07 -0.69 0.00 0.00 178.15 177.19 1le7 h LEU 3 N 0.10 1.02 -0.37 1.44 3.38 -1.96 -1.09 115.31 117.83 1le7 h LEU 3 Ca 0.13 -0.39 -0.19 0.00 0.09 0.00 0.00 57.88 57.52 1le7 h LEU 3 Cb 0.38 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 1le7 h LEU 3 CO -0.01 1.19 -0.69 -0.33 0.09 0.00 0.00 178.44 178.69 1le7 h GLU 4 N 0.85 0.56 -0.11 1.13 3.07 -1.63 -1.71 114.58 116.75 1le7 h GLU 4 Ca 0.11 -0.43 0.00 0.00 -0.50 0.00 0.00 59.36 58.54 1le7 h GLU 4 Cb 0.80 0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.78 1le7 h GLU 4 CO 0.07 1.05 0.07 1.25 -1.40 0.00 0.00 179.01 180.05 1le7 h LEU 5 N 0.40 0.13 -0.91 1.33 5.85 -0.89 0.17 115.31 121.39 1le7 h LEU 5 Ca -0.02 -0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.60 1le7 h LEU 5 Cb 1.27 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.24 1le7 h LEU 5 CO 0.13 0.12 0.00 0.00 -0.34 0.00 0.00 178.44 178.35 1le7 h ALA 6 N 1.02 1.10 -0.03 1.25 0.00 -1.20 -2.29 119.26 119.10 1le7 h ALA 6 Ca 0.04 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 1le7 h ALA 6 Cb 0.01 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 1le7 h ALA 6 CO -0.01 0.57 0.01 0.78 0.00 0.00 0.00 179.25 180.61 1le7 h GLY 7 N 0.97 0.05 0.96 0.00 0.00 -0.68 -1.25 103.07 103.12 1le7 h GLY 7 Ca 0.15 -0.03 -0.04 0.00 0.00 0.00 0.00 47.33 47.41 1le7 h GLY 7 CO 0.02 0.02 0.13 -0.91 0.00 0.00 0.00 176.54 175.80 1le7 h THR 8 N -0.12 1.23 -0.68 4.70 1.35 -0.62 0.02 112.91 118.79 1le7 h THR 8 Ca 0.01 -0.81 -0.02 0.00 -0.55 0.00 0.00 66.41 65.04 1le7 h THR 8 Cb 0.17 0.86 -0.03 0.00 -1.73 0.00 0.00 68.15 67.41 1le7 h THR 8 CO -0.00 0.29 0.35 0.58 -0.25 0.00 0.00 175.52 176.49 1le7 h VAL 9 N 0.64 1.21 0.00 6.82 2.07 -1.39 -2.08 116.25 123.53 1le7 h VAL 9 Ca 0.15 -0.56 -0.13 0.00 0.82 0.00 0.00 66.70 66.98 1le7 h VAL 9 Cb 0.31 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 1le7 h VAL 9 CO -0.00 0.24 -0.60 1.23 0.02 0.00 0.00 177.57 178.46 1le7 h GLY 10 N 1.01 0.00 0.81 2.17 0.00 -0.88 -2.98 103.07 103.21 1le7 h GLY 10 Ca 0.24 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.55 1le7 h GLY 10 CO -0.04 0.00 0.02 0.00 0.00 0.00 0.00 176.54 176.52 1le7 h VAL 12 N 0.02 0.41 -0.42 0.00 2.07 -1.48 -3.40 116.25 113.45 1le7 h VAL 12 Ca 0.04 -1.15 0.03 0.00 0.82 0.00 0.00 66.70 66.45 1le7 h VAL 12 Cb 0.32 1.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 1le7 h VAL 12 CO 0.00 0.19 -0.04 0.61 0.02 0.00 0.00 177.57 178.35 1le7 n GLY 13 N 0.43 -2.07 0.76 2.17 0.00 -1.13 -4.92 105.19 100.44 1le7 n GLY 13 Ca 0.01 -1.42 0.12 0.00 0.00 0.00 0.00 46.02 44.73 1le7 n GLY 13 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1le7 n PRO 14 N -0.94 1.98 -4.42 1.61 -0.04 -1.26 -4.16 135.00 127.77 1le7 n PRO 14 Ca 0.00 -1.54 -0.21 0.00 -0.04 0.00 0.00 63.50 61.72 1le7 n PRO 14 Cb 0.05 -1.47 -0.10 0.00 -0.04 0.00 0.00 33.50 31.94 1le7 n PRO 14 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1le7 s ARG 15 N -2.07 1.58 0.35 0.54 1.70 -1.26 -5.12 118.95 114.66 1le7 s ARG 15 Ca 0.29 -1.85 -0.29 0.00 -0.47 0.00 0.00 55.73 53.41 1le7 s ARG 15 Cb 0.20 -0.84 -0.11 0.00 -0.57 0.00 0.00 34.95 33.63 1le7 s ARG 15 CO 0.35 -0.15 1.52 -0.08 -1.08 0.00 0.00 175.30 175.86 1le7 s THR 16 N -3.30 2.07 0.56 4.99 -1.32 -1.26 -4.80 115.64 112.58 1le7 s THR 16 Ca 0.34 0.07 0.25 0.00 -1.21 0.00 0.00 61.69 61.15 1le7 s THR 16 Cb 0.08 -3.04 0.36 0.00 -1.51 0.00 0.00 72.50 68.38 1le7 s THR 16 CO 0.14 0.01 2.07 -0.65 -2.21 0.00 0.00 174.62 173.98 1le7 h PRO 17 N 3.59 0.00 0.00 7.08 0.11 -1.89 -0.27 132.00 140.63 1le7 h PRO 17 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1le7 h PRO 17 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1le7 h PRO 17 CO 0.69 0.00 0.00 0.82 -0.21 0.00 0.00 178.00 179.30 1le7 h ILE 18 N 0.00 0.00 0.00 4.15 1.08 -1.96 -2.42 117.51 118.36 1le7 h ILE 18 Ca 0.13 -0.27 0.00 0.00 -0.39 0.00 0.00 64.86 64.33 1le7 h ILE 18 Cb 0.59 1.23 0.00 0.00 -3.07 0.00 0.00 36.82 35.57 1le7 h ILE 18 CO -0.00 0.00 0.00 0.00 -0.69 0.00 0.00 178.15 177.46 1le7 h ALA 19 N 2.01 1.00 -0.21 1.87 0.00 -1.40 -2.44 119.26 120.09 1le7 h ALA 19 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1le7 h ALA 19 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1le7 h ALA 19 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.91 1le7 n TYR 20 N -2.73 0.28 -0.25 0.00 4.02 -0.91 -4.68 117.16 112.89 1le7 n TYR 20 Ca -0.01 -0.39 0.05 0.00 -0.01 0.00 0.00 57.90 57.54 1le7 n TYR 20 Cb 0.16 -0.03 0.18 0.00 -0.02 0.00 0.00 39.34 39.64 1le7 n TYR 20 CO 0.00 0.00 0.00 1.98 -1.01 0.00 0.00 176.86 177.83 1le7 h MET 21 N 1.56 0.44 -2.16 -0.72 4.05 -1.53 -3.37 114.93 113.20 1le7 h MET 21 Ca 0.00 -0.03 -0.32 0.00 -0.28 0.00 0.00 59.70 59.07 1le7 h MET 21 Cb 0.61 -0.10 -0.33 0.00 -0.80 0.00 0.00 31.60 30.98 1le7 h MET 21 CO 0.00 0.29 -0.63 0.21 0.23 0.00 0.00 176.91 177.01 1le7 s LYS 22 N -6.02 0.32 -0.09 0.39 2.36 -1.25 -3.66 119.74 111.79 1le7 s LYS 22 Ca -0.12 -0.10 -0.10 0.00 -2.55 0.00 0.00 55.97 53.09 1le7 s LYS 22 Cb 0.20 -0.68 0.03 0.00 -1.05 0.00 0.00 37.83 36.33 1le7 s LYS 22 CO 0.76 -1.00 0.28 -0.47 1.55 0.00 0.00 175.35 176.47 1le7 s TYR 23 N 2.37 -0.27 0.00 4.03 6.14 -0.57 -1.64 117.35 127.41 1le7 s TYR 23 Ca 0.09 0.62 0.00 0.00 0.64 0.00 0.00 57.07 58.43 1le7 s TYR 23 Cb -0.14 0.09 0.00 0.00 0.42 0.00 0.00 41.96 42.33 1le7 s TYR 23 CO -0.31 -0.20 0.00 0.41 0.64 0.00 0.00 175.55 176.09 1le7 n GLY 24 N 2.57 0.96 0.02 8.97 0.00 -0.07 -1.56 105.19 116.08 1le7 n GLY 24 Ca -0.15 -0.65 0.11 0.00 0.00 0.00 0.00 46.02 45.34 1le7 n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1le7 n PHE 26 N -1.77 0.00 -2.85 0.00 3.01 -1.24 -2.81 117.46 111.79 1le7 n PHE 26 Ca 0.04 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.07 1le7 n PHE 26 Cb 0.39 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.82 1le7 n PHE 26 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1le7 n GLY 28 N 4.91 3.43 3.61 0.00 0.00 -1.24 -1.51 105.19 114.38 1le7 n GLY 28 Ca 0.05 -1.81 -0.60 0.00 0.00 0.00 0.00 46.02 43.67 1le7 n GLY 28 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1le7 n LEU 29 N 0.00 0.86 0.00 0.99 7.94 -1.26 -4.55 117.00 120.97 1le7 n LEU 29 Ca 0.00 1.15 0.00 0.00 -1.11 0.00 0.00 56.01 56.05 1le7 n LEU 29 Cb 0.00 -0.98 0.00 0.00 0.53 0.00 0.00 43.42 42.97 1le7 n LEU 29 CO 0.00 -1.32 0.00 0.61 -1.11 0.00 0.00 177.39 175.57 1le7 n GLY 30 N 2.63 0.50 0.00 -3.96 0.00 -1.26 -5.03 105.19 98.06 1le7 n GLY 30 Ca 0.23 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.40 1le7 n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1le7 n GLY 31 N 0.00 4.60 3.58 -0.02 0.00 -1.26 -4.75 105.19 107.34 1le7 n GLY 31 Ca 0.00 -1.03 -0.10 0.00 0.00 0.00 0.00 46.02 44.90 1le7 n GLY 31 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1le7 s HIS 32 N -1.72 -0.39 0.00 1.61 -3.43 -1.12 -4.99 115.29 105.25 1le7 s HIS 32 Ca 0.00 0.11 0.00 0.00 -0.80 0.00 0.00 55.06 54.37 1le7 s HIS 32 Cb 0.00 0.61 0.00 0.00 -1.43 0.00 0.00 32.58 31.76 1le7 s HIS 32 CO 0.00 -0.93 0.00 0.41 -2.00 0.00 0.00 174.74 172.22 1le7 n GLY 33 N -0.40 -1.23 3.63 -1.38 0.00 -0.62 -4.42 105.19 100.78 1le7 n GLY 33 Ca -0.12 -2.10 -0.39 0.00 0.00 0.00 0.00 46.02 43.42 1le7 n GLY 33 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1le7 s GLN 34 N 0.00 4.08 0.24 1.61 2.00 -1.26 -4.25 119.66 122.08 1le7 s GLN 34 Ca 0.00 0.08 -0.30 0.00 -2.00 0.00 0.00 55.36 53.15 1le7 s GLN 34 Cb 0.00 -3.60 -0.15 0.00 0.80 0.00 0.00 33.01 30.06 1le7 s GLN 34 CO 0.00 -0.16 1.01 -2.30 -0.50 0.00 0.00 175.29 173.34 1le7 n PRO 35 N 4.93 1.13 0.07 1.67 -0.02 -1.26 -4.81 135.00 136.71 1le7 n PRO 35 Ca -0.09 0.40 -0.10 0.00 -2.02 0.00 0.00 63.50 61.69 1le7 n PRO 35 Cb 0.51 -1.78 -0.13 0.00 -0.02 0.00 0.00 33.50 32.09 1le7 n PRO 35 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1le7 h ARG 36 N 2.37 0.10 0.00 -0.52 2.47 -1.96 -3.48 114.38 113.36 1le7 h ARG 36 Ca -0.40 -0.17 0.02 0.00 -1.26 0.00 0.00 59.98 58.17 1le7 h ARG 36 Cb 1.35 0.06 -0.00 0.00 -1.65 0.00 0.00 29.97 29.73 1le7 h ARG 36 CO 0.64 1.06 0.08 -0.40 0.56 0.00 0.00 179.97 181.91 1le7 n ASP 37 N -3.40 -0.32 -0.14 7.04 5.75 -1.26 -5.00 116.55 119.21 1le7 n ASP 37 Ca -0.04 -1.19 -0.03 0.00 -0.01 0.00 0.00 54.79 53.52 1le7 n ASP 37 Cb 0.97 0.53 0.05 0.00 -1.03 0.00 0.00 41.12 41.64 1le7 n ASP 37 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1le7 h ALA 38 N 2.00 0.46 -0.09 2.12 0.00 -1.95 -0.00 119.26 121.80 1le7 h ALA 38 Ca -0.05 0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1le7 h ALA 38 Cb 0.20 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1le7 h ALA 38 CO 0.06 -0.36 0.03 0.82 0.00 0.00 0.00 179.25 179.81 1le7 h ILE 39 N 0.15 0.99 0.00 0.00 2.04 -1.95 -1.08 117.51 117.67 1le7 h ILE 39 Ca 0.23 -0.03 -0.00 0.00 1.00 0.00 0.00 64.86 66.06 1le7 h ILE 39 Cb 0.32 0.90 -0.00 0.00 -0.74 0.00 0.00 36.82 37.30 1le7 h ILE 39 CO -0.35 0.02 -0.00 -0.78 0.00 0.00 0.00 178.15 177.04 1le7 h ASP 40 N 0.08 0.00 0.13 1.72 3.58 -1.75 -0.74 116.42 119.45 1le7 h ASP 40 Ca 0.04 0.00 -0.17 0.00 0.42 0.00 0.00 57.03 57.32 1le7 h ASP 40 Cb 0.01 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.06 1le7 h ASP 40 CO -0.03 0.00 -0.61 -0.50 -2.88 0.00 0.00 179.24 175.21 1le7 h TRP 41 N 0.00 0.61 -0.58 0.28 4.06 0.06 -1.54 115.95 118.84 1le7 h TRP 41 Ca -0.00 -0.23 -0.06 0.00 2.06 0.00 0.00 58.89 60.66 1le7 h TRP 41 Cb 0.00 -0.11 -0.02 0.00 -1.00 0.00 0.00 29.16 28.03 1le7 h TRP 41 CO 0.00 0.96 0.13 0.00 -3.56 0.00 0.00 178.44 175.98 1le7 h HIS 44 N 0.02 0.02 -0.31 0.00 6.17 -0.79 -0.40 115.15 119.86 1le7 h HIS 44 Ca -0.00 -0.00 -0.03 0.00 0.71 0.00 0.00 60.37 61.04 1le7 h HIS 44 Cb 0.77 -0.00 -0.02 0.00 2.52 0.00 0.00 27.41 30.68 1le7 h HIS 44 CO 0.00 0.29 0.06 0.78 0.71 0.00 0.00 177.93 179.76 1le7 h GLY 45 N -0.26 0.48 0.85 5.26 0.00 -1.09 -1.81 103.07 106.50 1le7 h GLY 45 Ca 0.00 -0.25 -0.06 0.00 0.00 0.00 0.00 47.33 47.02 1le7 h GLY 45 CO 0.00 0.23 -0.09 0.84 0.00 0.00 0.00 176.54 177.53 1le7 h HIS 46 N 0.44 0.56 -0.33 5.60 6.17 -0.94 -0.55 115.15 126.11 1le7 h HIS 46 Ca 0.10 -0.13 0.05 0.00 0.71 0.00 0.00 60.37 61.10 1le7 h HIS 46 Cb 0.21 -0.13 -0.04 0.00 2.52 0.00 0.00 27.41 29.96 1le7 h HIS 46 CO 0.01 0.73 0.06 -0.44 0.71 0.00 0.00 177.93 179.01 1le7 h ASP 47 N 0.23 0.01 -0.34 3.26 3.45 -0.68 0.91 116.42 123.25 1le7 h ASP 47 Ca 0.06 0.05 0.06 0.00 0.43 0.00 0.00 57.03 57.63 1le7 h ASP 47 Cb 0.57 0.07 -0.05 0.00 -0.56 0.00 0.00 39.33 39.36 1le7 h ASP 47 CO 0.03 0.04 -0.00 0.00 -1.57 0.00 0.00 179.24 177.74 1le7 h TYR 50 N 0.41 0.81 -0.63 0.00 -1.99 -0.12 -1.49 116.97 113.96 1le7 h TYR 50 Ca 0.20 -0.05 -0.05 0.00 2.00 0.00 0.00 58.73 60.84 1le7 h TYR 50 Cb 0.14 -0.25 -0.03 0.00 2.00 0.00 0.00 36.73 38.60 1le7 h TYR 50 CO -0.12 0.64 0.19 1.15 -0.00 0.00 0.00 178.16 180.02 1le7 h THR 51 N 0.80 1.25 -0.89 -2.88 2.02 -0.07 -0.74 112.91 112.40 1le7 h THR 51 Ca 0.19 -0.86 -0.02 0.00 0.77 0.00 0.00 66.41 66.49 1le7 h THR 51 Cb 0.17 0.61 -0.04 0.00 -1.74 0.00 0.00 68.15 67.15 1le7 h THR 51 CO -0.02 0.33 0.48 0.03 0.37 0.00 0.00 175.52 176.71 1le7 h ARG 52 N 0.91 1.24 -0.47 6.66 3.08 -0.66 -1.04 114.38 124.10 1le7 h ARG 52 Ca 0.20 -0.15 -0.09 0.00 0.07 0.00 0.00 59.98 60.02 1le7 h ARG 52 Cb 0.30 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 1le7 h ARG 52 CO -0.01 0.91 -0.04 0.00 -1.07 0.00 0.00 179.97 179.76 1le7 h ALA 53 N 1.29 0.64 -0.81 0.04 0.00 -0.91 -1.43 119.26 118.07 1le7 h ALA 53 Ca 0.31 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1le7 h ALA 53 Cb 0.03 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.60 1le7 h ALA 53 CO -0.05 0.48 0.53 0.93 0.00 0.00 0.00 179.25 181.14 1le7 h GLU 54 N 0.71 1.01 0.00 0.00 5.08 -0.67 0.44 114.58 121.15 1le7 h GLU 54 Ca 0.13 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 1le7 h GLU 54 Cb 0.56 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 1le7 h GLU 54 CO 0.03 0.67 -0.14 0.93 -1.00 0.00 0.00 179.01 179.50 1le7 h GLU 55 N 1.04 0.00 -0.07 2.33 5.08 -0.91 -0.64 114.58 121.41 1le7 h GLU 55 Ca 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 1le7 h GLU 55 Cb -0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1le7 h GLU 55 CO -0.10 0.14 0.00 0.00 -1.00 0.00 0.00 179.01 178.05 1le7 n ALA 56 N -2.22 2.56 -2.32 3.43 0.00 0.07 -4.89 120.51 117.15 1le7 n ALA 56 Ca -0.01 -0.26 -0.02 0.00 0.00 0.00 0.00 53.44 53.16 1le7 n ALA 56 Cb 0.31 -1.19 0.01 0.00 0.00 0.00 0.00 19.45 18.58 1le7 n ALA 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1le7 n GLY 57 N 0.88 0.59 3.49 0.00 0.00 -0.25 -5.03 105.19 104.88 1le7 n GLY 57 Ca 0.13 -0.52 -0.23 0.00 0.00 0.00 0.00 46.02 45.40 1le7 n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1le7 n SER 59 N -0.87 2.05 -0.39 0.00 2.88 -1.26 -4.26 113.62 111.77 1le7 n SER 59 Ca -0.04 -3.00 0.31 0.00 -1.33 0.00 0.00 58.87 54.80 1le7 n SER 59 Cb 0.66 -0.68 0.59 0.00 -0.75 0.00 0.00 64.21 64.03 1le7 n SER 59 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1le7 h PRO 60 N 5.10 0.21 0.00 -1.46 0.11 -1.92 -1.61 132.00 132.43 1le7 h PRO 60 Ca 0.18 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1le7 h PRO 60 Cb 0.79 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.85 1le7 h PRO 60 CO 0.63 0.14 -0.44 1.63 -0.21 0.00 0.00 178.00 179.75 1le7 n LYS 61 N -4.64 0.08 -0.01 1.05 5.02 -1.26 -3.61 118.16 114.79 1le7 n LYS 61 Ca 0.31 0.02 -0.01 0.00 -2.02 0.00 0.00 58.31 56.62 1le7 n LYS 61 Cb 1.18 -1.55 -0.01 0.00 -0.02 0.00 0.00 35.03 34.64 1le7 n LYS 61 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1le7 n THR 62 N -1.66 0.08 -1.96 -0.18 -2.24 -0.65 -3.30 114.28 104.38 1le7 n THR 62 Ca 0.05 -0.02 -0.42 0.00 -2.27 0.00 0.00 64.05 61.39 1le7 n THR 62 Cb 0.36 -1.09 -0.03 0.00 -2.10 0.00 0.00 70.33 67.48 1le7 n THR 62 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1le7 s GLU 63 N -2.03 4.23 0.64 -0.78 2.12 -0.95 -4.50 118.70 117.44 1le7 s GLU 63 Ca -0.02 2.35 -0.09 0.00 0.36 0.00 0.00 54.97 57.56 1le7 s GLU 63 Cb 0.01 -3.14 0.00 0.00 0.26 0.00 0.00 34.13 31.26 1le7 s GLU 63 CO 0.03 -0.55 1.01 -0.98 -0.54 0.00 0.00 175.26 174.22 1le7 s ARG 64 N 0.63 3.02 0.01 4.30 1.70 -1.26 -0.24 118.95 127.10 1le7 s ARG 64 Ca 0.66 0.33 -0.25 0.00 -0.47 0.00 0.00 55.73 56.01 1le7 s ARG 64 Cb -0.43 -2.13 0.06 0.00 -0.57 0.00 0.00 34.95 31.87 1le7 s ARG 64 CO 0.35 -0.81 0.56 1.52 -1.08 0.00 0.00 175.30 175.85 1le7 s TYR 65 N -3.18 -0.50 0.29 5.89 -0.85 -1.26 -4.84 117.35 112.90 1le7 s TYR 65 Ca 0.56 0.71 -0.19 0.00 -0.52 0.00 0.00 57.07 57.62 1le7 s TYR 65 Cb -0.11 0.35 -0.09 0.00 0.38 0.00 0.00 41.96 42.49 1le7 s TYR 65 CO 0.49 -0.61 0.78 -1.12 -1.52 0.00 0.00 175.55 173.58 1le7 s SER 66 N -1.61 6.99 0.01 -0.18 0.01 -1.26 -4.99 113.70 112.67 1le7 s SER 66 Ca -0.08 1.46 -0.29 0.00 1.31 0.00 0.00 55.95 58.35 1le7 s SER 66 Cb -0.01 -2.44 0.10 0.00 0.21 0.00 0.00 66.02 63.88 1le7 s SER 66 CO 0.03 -0.10 0.97 -1.66 0.41 0.00 0.00 173.24 172.88 1le7 s TRP 67 N -1.76 -0.25 0.09 2.43 1.48 -1.15 -2.08 118.94 117.70 1le7 s TRP 67 Ca 0.50 0.09 0.08 0.00 -1.06 0.00 0.00 56.10 55.71 1le7 s TRP 67 Cb -0.14 0.56 -0.03 0.00 -1.16 0.00 0.00 33.47 32.70 1le7 s TRP 67 CO 0.19 -0.55 -0.20 -0.65 -4.06 0.00 0.00 176.95 171.68 1le7 s GLN 68 N -3.04 1.13 -0.25 3.25 -0.21 -0.17 -4.96 119.66 115.41 1le7 s GLN 68 Ca 0.08 -1.11 -0.05 0.00 0.02 0.00 0.00 55.36 54.30 1le7 s GLN 68 Cb -0.01 -1.35 0.00 0.00 1.00 0.00 0.00 33.01 32.65 1le7 s GLN 68 CO -0.06 0.32 0.01 0.00 -2.12 0.00 0.00 175.29 173.44 1le7 s VAL 70 N 1.48 0.76 -1.52 0.00 1.01 0.48 -4.80 120.40 117.82 1le7 s VAL 70 Ca 0.04 -0.15 -0.09 0.00 0.00 0.00 0.00 61.98 61.77 1le7 s VAL 70 Cb -0.16 -0.82 0.07 0.00 0.00 0.00 0.00 36.38 35.48 1le7 s VAL 70 CO -0.01 0.31 0.71 0.59 0.00 0.00 0.00 175.10 176.71 1le7 n ASN 71 N 4.78 -2.46 -2.83 3.32 5.03 -1.26 0.01 115.26 121.85 1le7 n ASN 71 Ca -0.13 -0.93 -0.22 0.00 0.87 0.00 0.00 54.58 54.17 1le7 n ASN 71 Cb 0.50 -3.30 0.02 0.00 -1.02 0.00 0.00 39.78 35.98 1le7 n ASN 71 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1le7 n GLN 72 N -4.46 -4.03 -4.74 3.52 6.02 -1.26 -5.00 117.38 107.44 1le7 n GLN 72 Ca -0.10 0.94 -0.24 0.00 -0.01 0.00 0.00 57.00 57.59 1le7 n GLN 72 Cb 0.59 -5.75 -0.15 0.00 1.02 0.00 0.00 30.24 25.95 1le7 n GLN 72 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1le7 s SER 73 N -2.53 1.87 -0.13 1.08 0.01 0.10 -4.15 113.70 109.95 1le7 s SER 73 Ca 0.22 -0.29 -0.19 0.00 1.31 0.00 0.00 55.95 57.00 1le7 s SER 73 Cb -0.10 -0.30 -0.04 0.00 0.21 0.00 0.00 66.02 65.79 1le7 s SER 73 CO 0.27 0.18 0.52 -0.69 0.41 0.00 0.00 173.24 173.93 1le7 s VAL 74 N -0.24 5.15 -0.19 3.43 1.01 -1.26 -0.39 120.40 127.92 1le7 s VAL 74 Ca 0.03 1.03 -0.00 0.00 0.00 0.00 0.00 61.98 63.04 1le7 s VAL 74 Cb -0.07 -3.86 0.01 0.00 0.00 0.00 0.00 36.38 32.46 1le7 s VAL 74 CO 0.00 0.28 -0.16 -0.76 0.00 0.00 0.00 175.10 174.47 1le7 s LEU 75 N 0.87 2.35 -0.08 3.92 1.43 -0.08 -4.99 118.68 122.09 1le7 s LEU 75 Ca 0.27 -0.59 -0.23 0.00 -1.03 0.00 0.00 54.13 52.55 1le7 s LEU 75 Cb -0.16 -1.55 -0.03 0.00 0.03 0.00 0.00 46.19 44.48 1le7 s LEU 75 CO 0.11 -0.01 0.69 0.00 0.23 0.00 0.00 176.35 177.37 1le7 n GLY 77 N 3.18 2.97 3.78 0.00 0.00 -0.88 -4.86 105.19 109.37 1le7 n GLY 77 Ca -0.01 -1.92 -0.37 0.00 0.00 0.00 0.00 46.02 43.72 1le7 n GLY 77 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1le7 s PRO 78 N -2.07 4.16 -0.16 1.61 0.02 -1.26 -2.94 135.00 134.36 1le7 s PRO 78 Ca 0.00 1.62 -0.08 0.00 0.02 0.00 0.00 61.00 62.56 1le7 s PRO 78 Cb 0.00 -2.62 -0.04 0.00 0.02 0.00 0.00 34.50 31.86 1le7 s PRO 78 CO 0.00 -0.17 0.12 0.00 -0.33 0.00 0.00 177.00 176.62 1le7 s ALA 79 N -1.56 3.71 -0.58 -1.55 0.00 -1.26 -4.24 121.76 116.27 1le7 s ALA 79 Ca 0.57 -0.68 0.23 0.00 0.00 0.00 0.00 51.96 52.08 1le7 s ALA 79 Cb -0.25 -2.01 0.15 0.00 0.00 0.00 0.00 23.12 21.02 1le7 s ALA 79 CO 0.31 0.38 1.13 0.39 0.00 0.00 0.00 175.76 177.98 1le7 n GLU 80 N 2.79 0.32 -3.88 0.00 1.02 -1.26 -4.98 120.64 114.65 1le7 n GLU 80 Ca -0.18 0.04 -0.09 0.00 -0.02 0.00 0.00 57.16 56.91 1le7 n GLU 80 Cb 0.53 -1.65 -0.01 0.00 -0.02 0.00 0.00 31.44 30.30 1le7 n GLU 80 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1le7 s ASN 81 N -4.17 0.06 0.39 1.62 2.20 -1.26 -5.05 114.94 108.73 1le7 s ASN 81 Ca 0.04 -1.03 0.14 0.00 -0.94 0.00 0.00 52.86 51.07 1le7 s ASN 81 Cb 0.14 0.76 0.80 0.00 -2.00 0.00 0.00 41.25 40.95 1le7 s ASN 81 CO 0.77 -1.48 1.86 0.07 -2.94 0.00 0.00 177.10 175.38 1le7 h LYS 82 N 2.05 0.00 -0.54 3.55 2.10 -2.01 -3.08 116.57 118.63 1le7 h LYS 82 Ca -0.27 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.27 1le7 h LYS 82 Cb 1.25 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.56 1le7 h LYS 82 CO 0.35 0.33 -0.09 0.00 -2.00 0.00 0.00 179.45 178.04 1le7 h GLN 84 N 0.90 0.13 -0.01 0.00 4.20 -1.89 0.01 115.11 118.45 1le7 h GLN 84 Ca 0.14 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.82 1le7 h GLN 84 Cb 0.65 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.41 1le7 h GLN 84 CO 0.04 0.32 -0.00 0.93 -0.67 0.00 0.00 178.83 179.45 1le7 h GLU 85 N 0.12 0.02 0.05 1.46 5.08 -1.48 -2.51 114.58 117.32 1le7 h GLU 85 Ca 0.02 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1le7 h GLU 85 Cb 0.40 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1le7 h GLU 85 CO 0.03 0.33 -0.02 -0.07 -1.00 0.00 0.00 179.01 178.28 1le7 h LEU 86 N -0.30 -0.05 -0.13 1.33 4.07 -0.96 -2.00 115.31 117.27 1le7 h LEU 86 Ca 0.00 -0.01 0.01 0.00 0.08 0.00 0.00 57.88 57.96 1le7 h LEU 86 Cb 0.33 0.01 -0.01 0.00 1.08 0.00 0.00 40.66 42.07 1le7 h LEU 86 CO 0.00 -0.03 0.05 -0.07 -1.08 0.00 0.00 178.44 177.31 1le7 h LEU 87 N -0.07 0.07 -1.46 1.67 3.38 -1.05 -1.52 115.31 116.33 1le7 h LEU 87 Ca -0.01 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1le7 h LEU 87 Cb 0.06 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1le7 h LEU 87 CO 0.01 0.06 0.08 0.00 0.09 0.00 0.00 178.44 178.68 1le7 h LYS 89 N 0.43 0.86 0.23 0.00 3.64 -0.80 0.17 116.57 121.10 1le7 h LYS 89 Ca 0.10 -0.25 -0.01 0.00 -1.27 0.00 0.00 60.65 59.22 1le7 h LYS 89 Cb 0.16 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1le7 h LYS 89 CO -0.00 0.87 -0.11 0.00 -2.27 0.00 0.00 179.45 177.94 1le7 h ASP 91 N -0.50 0.79 -0.85 0.00 3.32 -1.21 -1.18 116.42 116.79 1le7 h ASP 91 Ca -0.03 -0.06 0.01 0.00 0.02 0.00 0.00 57.03 56.96 1le7 h ASP 91 Cb 0.38 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.68 1le7 h ASP 91 CO 0.05 0.63 0.55 -0.61 -1.72 0.00 0.00 179.24 178.14 1le7 h GLN 92 N 0.90 1.13 -0.32 3.56 4.15 -0.62 -0.76 115.11 123.14 1le7 h GLN 92 Ca 0.24 -0.07 -0.09 0.00 0.77 0.00 0.00 58.65 59.49 1le7 h GLN 92 Cb -0.02 -0.25 -0.01 0.00 0.21 0.00 0.00 27.48 27.41 1le7 h GLN 92 CO -0.04 0.75 -0.15 1.49 -1.93 0.00 0.00 178.83 178.95 1le7 h GLU 93 N 1.16 0.66 -0.04 1.69 4.81 -0.41 -2.05 114.58 120.39 1le7 h GLU 93 Ca 0.31 -0.29 -0.13 0.00 -0.13 0.00 0.00 59.36 59.12 1le7 h GLU 93 Cb -0.12 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 1le7 h GLU 93 CO -0.07 0.88 -0.58 0.97 -0.73 0.00 0.00 179.01 179.48 1le7 h ILE 94 N 0.42 1.39 0.03 2.32 2.10 -0.98 -1.57 117.51 121.23 1le7 h ILE 94 Ca 0.07 -1.95 -0.00 0.00 1.08 0.00 0.00 64.86 64.06 1le7 h ILE 94 Cb 0.68 2.01 0.00 0.00 -1.09 0.00 0.00 36.82 38.41 1le7 h ILE 94 CO 0.05 0.57 -0.02 0.00 -1.08 0.00 0.00 178.15 177.67 1le7 h ALA 95 N 1.31 -0.05 -0.24 0.18 0.00 -1.06 0.36 119.26 119.77 1le7 h ALA 95 Ca -0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1le7 h ALA 95 Cb 1.05 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1le7 h ALA 95 CO 0.08 -0.47 0.15 -0.91 0.00 0.00 0.00 179.25 178.09 1le7 h ASN 96 N -0.15 0.29 0.30 0.00 2.35 -1.31 -0.19 115.58 116.88 1le7 h ASN 96 Ca -0.00 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 1le7 h ASN 96 Cb 0.14 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.41 1le7 h ASN 96 CO 0.01 0.25 -0.34 0.00 -1.65 0.00 0.00 177.43 175.70 1le7 h LEU 98 N -0.68 0.96 -1.83 0.00 4.07 -0.16 -2.31 115.31 115.36 1le7 h LEU 98 Ca -0.01 0.02 0.15 0.00 0.08 0.00 0.00 57.88 58.13 1le7 h LEU 98 Cb 0.63 -0.18 -0.03 0.00 1.08 0.00 0.00 40.66 42.16 1le7 h LEU 98 CO -0.08 0.57 0.44 0.00 -1.08 0.00 0.00 178.44 178.29 1le7 h ALA 99 N 1.50 2.36 -0.27 1.53 0.00 -0.64 -2.29 119.26 121.44 1le7 h ALA 99 Ca 0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1le7 h ALA 99 Cb 0.32 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1le7 h ALA 99 CO -0.20 -0.53 0.00 1.04 0.00 0.00 0.00 179.25 179.55 1le7 n GLN 100 N -4.41 1.70 -3.90 0.00 6.02 -0.87 -4.59 117.38 111.34 1le7 n GLN 100 Ca 0.12 -1.08 -0.21 0.00 -0.01 0.00 0.00 57.00 55.82 1le7 n GLN 100 Cb 0.59 -1.28 -0.03 0.00 1.02 0.00 0.00 30.24 30.54 1le7 n GLN 100 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1le7 s THR 101 N -1.64 4.29 0.10 5.09 -4.23 -0.86 -5.12 115.64 113.26 1le7 s THR 101 Ca 0.24 -1.25 -0.00 0.00 -1.18 0.00 0.00 61.69 59.50 1le7 s THR 101 Cb 0.12 -3.43 -0.04 0.00 1.34 0.00 0.00 72.50 70.49 1le7 s THR 101 CO 0.17 -0.27 0.26 -1.61 -0.54 0.00 0.00 174.62 172.64 1le7 s GLU 102 N -3.97 3.47 -0.18 3.99 0.41 -1.26 -5.02 118.70 116.15 1le7 s GLU 102 Ca 0.37 -0.41 -0.09 0.00 -0.41 0.00 0.00 54.97 54.43 1le7 s GLU 102 Cb -0.08 -2.98 -0.05 0.00 -1.78 0.00 0.00 34.13 29.24 1le7 s GLU 102 CO 0.27 0.56 0.12 -0.47 -0.49 0.00 0.00 175.26 175.25 1le7 s TYR 103 N -1.60 3.42 -0.38 1.61 6.14 -1.26 -4.77 117.35 120.51 1le7 s TYR 103 Ca 0.36 0.33 -0.04 0.00 0.64 0.00 0.00 57.07 58.37 1le7 s TYR 103 Cb -0.12 -2.10 0.09 0.00 0.42 0.00 0.00 41.96 40.24 1le7 s TYR 103 CO 0.28 0.36 0.15 -0.80 0.64 0.00 0.00 175.55 176.18 1le7 s ASN 104 N 0.09 5.21 0.42 4.32 0.02 -1.26 -4.97 114.94 118.77 1le7 s ASN 104 Ca 0.09 -1.73 0.13 0.00 -1.02 0.00 0.00 52.86 50.33 1le7 s ASN 104 Cb -0.11 -1.82 0.99 0.00 0.02 0.00 0.00 41.25 40.32 1le7 s ASN 104 CO -0.01 -0.46 1.96 0.25 0.02 0.00 0.00 177.10 178.86 1le7 h LEU 105 N 8.09 0.42 -0.79 0.60 5.85 -1.98 -2.04 115.31 125.46 1le7 h LEU 105 Ca -0.17 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.57 1le7 h LEU 105 Cb 1.06 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.01 1le7 h LEU 105 CO 0.66 0.25 0.05 2.29 -0.34 0.00 0.00 178.44 181.34 1le7 n LYS 106 N -4.48 0.08 0.00 1.25 2.85 -1.26 -1.18 118.16 115.42 1le7 n LYS 106 Ca 0.11 0.56 0.07 0.00 -1.05 0.00 0.00 58.31 58.01 1le7 n LYS 106 Cb 0.40 -1.80 0.05 0.00 -0.65 0.00 0.00 35.03 33.03 1le7 n LYS 106 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1le7 n TYR 107 N -1.91 0.00 -2.19 5.58 0.53 -0.77 -4.81 117.16 113.59 1le7 n TYR 107 Ca -0.01 0.00 -0.42 0.00 -1.02 0.00 0.00 57.90 56.45 1le7 n TYR 107 Cb 0.06 0.00 -0.03 0.00 -1.03 0.00 0.00 39.34 38.35 1le7 n TYR 107 CO 0.00 0.00 0.00 -1.17 -1.02 0.00 0.00 176.86 174.67 1le7 s LEU 108 N -1.30 4.28 -1.02 7.72 2.96 -0.33 -0.89 118.68 130.10 1le7 s LEU 108 Ca 0.17 2.04 -0.04 0.00 -0.22 0.00 0.00 54.13 56.08 1le7 s LEU 108 Cb 0.12 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.27 1le7 s LEU 108 CO 0.20 -0.82 0.53 0.49 -1.32 0.00 0.00 176.35 175.43 1le7 n PHE 109 N 6.48 -1.52 -2.05 5.38 0.99 -0.65 -4.96 117.46 121.13 1le7 n PHE 109 Ca 0.15 0.45 -0.42 0.00 -0.00 0.00 0.00 57.45 57.63 1le7 n PHE 109 Cb 0.44 -3.49 -0.03 0.00 -1.00 0.00 0.00 39.48 35.40 1le7 n PHE 109 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.76 176.29 1le7 s TYR 110 N -3.04 2.98 -0.01 1.38 6.14 -1.03 -4.93 117.35 118.84 1le7 s TYR 110 Ca 0.26 0.70 -0.30 0.00 0.64 0.00 0.00 57.07 58.37 1le7 s TYR 110 Cb -0.12 -3.82 -0.08 0.00 0.42 0.00 0.00 41.96 38.37 1le7 s TYR 110 CO 0.32 -3.04 1.89 -2.14 0.64 0.00 0.00 175.55 173.23 1le7 s PRO 111 N 1.56 4.09 0.53 4.97 0.02 -1.26 -4.77 135.00 140.13 1le7 s PRO 111 Ca 0.68 2.45 0.34 0.00 0.02 0.00 0.00 61.00 64.50 1le7 s PRO 111 Cb -0.39 -4.13 1.85 0.00 0.02 0.00 0.00 34.50 31.85 1le7 s PRO 111 CO 0.31 -1.00 2.04 -0.56 -0.33 0.00 0.00 177.00 177.46 1le7 h GLN 112 N 10.57 0.00 -0.06 5.54 3.07 -1.91 0.18 115.11 132.49 1le7 h GLN 112 Ca -0.46 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.27 1le7 h GLN 112 Cb 1.22 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.78 1le7 h GLN 112 CO 0.95 0.00 0.00 0.35 0.09 0.00 0.00 178.83 180.22 1le7 h PHE 113 N 0.00 0.08 -0.01 0.06 3.57 -2.01 -0.04 116.94 118.60 1le7 h PHE 113 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1le7 h PHE 113 Cb 0.07 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.78 1le7 h PHE 113 CO 0.00 0.09 -0.01 1.28 -2.23 0.00 0.00 178.31 177.44 1le7 n LEU 114 N -4.49 0.84 -4.78 0.59 4.77 0.64 -4.83 117.00 109.74 1le7 n LEU 114 Ca -0.02 -0.27 -0.37 0.00 -0.03 0.00 0.00 56.01 55.32 1le7 n LEU 114 Cb 0.12 -0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 41.13 1le7 n LEU 114 CO 0.35 0.14 0.07 0.00 -1.33 0.00 0.00 177.39 176.62 1le7 s GLU 116 N -0.24 1.60 0.23 0.00 8.01 -1.26 -4.78 118.70 122.27 1le7 s GLU 116 Ca 0.22 1.69 -0.04 0.00 0.01 0.00 0.00 54.97 56.85 1le7 s GLU 116 Cb -0.15 -1.78 0.25 0.00 -4.31 0.00 0.00 34.13 28.14 1le7 s GLU 116 CO 0.10 -2.23 1.69 -1.35 0.01 0.00 0.00 175.26 173.48 1le7 h PRO 117 N -1.03 0.80 -6.41 0.39 0.11 -1.95 -1.65 132.00 122.26 1le7 h PRO 117 Ca -0.46 -0.27 -0.51 0.00 0.11 0.00 0.00 66.00 64.88 1le7 h PRO 117 Cb 1.29 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1le7 h PRO 117 CO 0.46 0.88 -0.22 -0.51 -0.21 0.00 0.00 178.00 178.39 1le7 s ASP 118 N -6.69 6.38 0.09 -2.05 1.11 -1.26 -4.49 116.67 109.76 1le7 s ASP 118 Ca -0.09 0.53 0.05 0.00 0.18 0.00 0.00 52.55 53.22 1le7 s ASP 118 Cb 0.14 -2.07 -0.03 0.00 1.07 0.00 0.00 42.92 42.03 1le7 s ASP 118 CO 0.83 -0.17 -0.13 -0.44 1.18 0.00 0.00 175.17 176.44 1le7 s SER 119 N -3.40 1.69 0.74 0.27 0.01 -1.26 -1.89 113.70 109.86 1le7 s SER 119 Ca 0.41 -0.72 -0.14 0.00 1.31 0.00 0.00 55.95 56.81 1le7 s SER 119 Cb -0.10 -0.04 0.04 0.00 0.21 0.00 0.00 66.02 66.13 1le7 s SER 119 CO 0.31 -0.14 1.17 -2.84 0.41 0.00 0.00 173.24 172.15 1le7 s PRO 120 N -2.26 2.16 0.72 12.44 0.02 -1.26 -4.97 135.00 141.86 1le7 s PRO 120 Ca 0.03 1.61 -0.13 0.00 0.02 0.00 0.00 61.00 62.52 1le7 s PRO 120 Cb -0.07 -1.85 0.03 0.00 0.02 0.00 0.00 34.50 32.63 1le7 s PRO 120 CO 0.02 -1.78 1.12 -1.59 -0.33 0.00 0.00 177.00 174.43 1le7 s LYS 121 N -4.11 2.42 0.20 5.54 -2.85 -1.26 -5.02 119.74 114.67 1le7 s LYS 121 Ca 0.71 1.38 -0.14 0.00 -1.00 0.00 0.00 55.97 56.91 1le7 s LYS 121 Cb -0.25 -1.90 -0.08 0.00 -2.06 0.00 0.00 37.83 33.54 1le7 s LYS 121 CO 0.47 -1.54 0.61 0.00 0.10 0.00 0.00 175.35 174.99