#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 1.08 -0.28 -0.61 3.07 -1.34 -0.05 117.51 119.38 1le6 h ILE 2 Ca 0.00 -0.22 -0.06 0.00 1.55 0.00 0.00 64.86 66.13 1le6 h ILE 2 Cb 0.00 0.83 -0.01 0.00 -0.27 0.00 0.00 36.82 37.38 1le6 h ILE 2 CO 0.00 0.09 -0.06 -0.07 -1.05 0.00 0.00 178.15 177.05 1le6 h LEU 3 N 0.27 0.54 -0.60 0.16 3.38 -1.95 -1.68 115.31 115.43 1le6 h LEU 3 Ca 0.07 -0.36 -0.07 0.00 0.09 0.00 0.00 57.88 57.61 1le6 h LEU 3 Cb 0.04 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1le6 h LEU 3 CO -0.01 0.78 0.09 -0.33 0.09 0.00 0.00 178.44 179.06 1le6 h GLU 4 N 0.30 0.99 -0.07 1.13 3.07 -1.79 -1.09 114.58 117.11 1le6 h GLU 4 Ca 0.07 -0.27 0.03 0.00 -0.50 0.00 0.00 59.36 58.70 1le6 h GLU 4 Cb 0.54 -0.11 -0.04 0.00 -0.84 0.00 0.00 28.75 28.30 1le6 h GLU 4 CO 0.03 0.94 -0.13 1.25 -1.40 0.00 0.00 179.01 179.69 1le6 h LEU 5 N 0.89 -0.39 -0.60 1.33 6.46 -0.87 0.23 115.31 122.36 1le6 h LEU 5 Ca 0.18 0.07 -0.01 0.00 -0.12 0.00 0.00 57.88 58.00 1le6 h LEU 5 Cb 0.43 0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 40.51 1le6 h LEU 5 CO 0.01 -0.17 0.34 0.00 -0.62 0.00 0.00 178.44 178.00 1le6 h ALA 6 N 0.84 0.77 -0.17 1.25 0.00 -1.20 -2.21 119.26 118.55 1le6 h ALA 6 Ca 0.07 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1le6 h ALA 6 Cb 0.28 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1le6 h ALA 6 CO -0.18 0.28 0.10 0.78 0.00 0.00 0.00 179.25 180.23 1le6 h GLY 7 N 0.82 0.25 1.00 0.00 0.00 -0.55 -0.19 103.07 104.39 1le6 h GLY 7 Ca 0.21 -0.11 -0.02 0.00 0.00 0.00 0.00 47.33 47.42 1le6 h GLY 7 CO -0.04 0.10 0.34 -0.91 0.00 0.00 0.00 176.54 176.04 1le6 h THR 8 N 0.18 1.22 -0.41 4.70 1.35 -0.48 0.11 112.91 119.57 1le6 h THR 8 Ca 0.06 -0.58 -0.03 0.00 -0.55 0.00 0.00 66.41 65.31 1le6 h THR 8 Cb 0.05 0.38 -0.02 0.00 -1.73 0.00 0.00 68.15 66.84 1le6 h THR 8 CO -0.01 0.25 0.15 0.58 -0.25 0.00 0.00 175.52 176.24 1le6 h VAL 9 N 0.91 1.20 0.00 6.82 2.07 -1.28 -2.31 116.25 123.67 1le6 h VAL 9 Ca 0.23 -0.65 -0.05 0.00 0.82 0.00 0.00 66.70 67.06 1le6 h VAL 9 Cb 0.08 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 1le6 h VAL 9 CO -0.03 0.23 -0.22 1.23 0.02 0.00 0.00 177.57 178.80 1le6 h GLY 10 N 0.52 0.00 0.74 2.17 0.00 -0.64 -0.62 103.07 105.24 1le6 h GLY 10 Ca 0.14 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.46 1le6 h GLY 10 CO -0.01 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.53 1le6 h VAL 12 N -0.22 1.07 -3.72 0.00 2.07 -1.40 -3.41 116.25 110.65 1le6 h VAL 12 Ca 0.01 -2.42 -0.49 0.00 0.82 0.00 0.00 66.70 64.61 1le6 h VAL 12 Cb 0.29 2.76 0.02 0.00 -1.52 0.00 0.00 31.29 32.85 1le6 h VAL 12 CO 0.00 0.72 0.15 -0.83 0.02 0.00 0.00 177.57 177.63 1le6 s GLY 13 N -4.93 1.73 0.02 2.17 0.00 -0.25 -4.83 107.32 101.23 1le6 s GLY 13 Ca -0.19 -0.31 -0.17 0.00 0.00 0.00 0.00 44.72 44.05 1le6 s GLY 13 CO 0.78 -0.12 1.04 -0.56 0.00 0.00 0.00 173.10 174.24 1le6 h PRO 14 N 0.67 0.51 -7.22 2.90 0.13 -1.86 -3.43 132.00 123.70 1le6 h PRO 14 Ca -0.47 -0.72 -0.49 0.00 -0.87 0.00 0.00 66.00 63.45 1le6 h PRO 14 Cb 1.19 0.25 0.04 0.00 0.13 0.00 0.00 31.00 32.61 1le6 h PRO 14 CO 0.63 1.32 0.35 -0.98 -0.23 0.00 0.00 178.00 179.09 1le6 s ARG 15 N -2.83 3.74 0.26 0.86 1.70 -1.26 -5.02 118.95 116.40 1le6 s ARG 15 Ca -0.11 0.76 -0.30 0.00 -0.47 0.00 0.00 55.73 55.61 1le6 s ARG 15 Cb 0.04 -2.15 -0.10 0.00 -0.57 0.00 0.00 34.95 32.16 1le6 s ARG 15 CO 0.90 -0.38 1.46 -0.08 -1.08 0.00 0.00 175.30 176.12 1le6 s THR 16 N -2.86 2.55 0.41 4.99 -1.32 -1.26 -4.78 115.64 113.37 1le6 s THR 16 Ca 0.56 0.47 0.17 0.00 -1.21 0.00 0.00 61.69 61.67 1le6 s THR 16 Cb -0.10 -3.30 0.37 0.00 -1.51 0.00 0.00 72.50 67.96 1le6 s THR 16 CO 0.43 0.08 1.85 -0.65 -2.21 0.00 0.00 174.62 174.12 1le6 h PRO 17 N 4.92 0.42 -0.02 7.08 0.11 -1.92 -1.07 132.00 141.52 1le6 h PRO 17 Ca -0.46 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.63 1le6 h PRO 17 Cb 1.22 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 1le6 h PRO 17 CO 0.77 0.28 0.13 0.97 -0.21 0.00 0.00 178.00 179.94 1le6 h ILE 18 N 0.43 0.08 0.00 4.15 6.09 -1.97 -0.53 117.51 125.76 1le6 h ILE 18 Ca 0.47 0.00 -0.00 0.00 -1.37 0.00 0.00 64.86 63.96 1le6 h ILE 18 Cb 1.13 0.88 -0.00 0.00 0.47 0.00 0.00 36.82 39.29 1le6 h ILE 18 CO -0.18 0.00 -0.01 0.00 -3.07 0.00 0.00 178.15 174.89 1le6 h ALA 19 N 1.76 1.03 -0.27 0.18 0.00 -1.56 -1.59 119.26 118.81 1le6 h ALA 19 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1le6 h ALA 19 Cb 0.27 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1le6 h ALA 19 CO -0.00 0.01 0.00 0.66 0.00 0.00 0.00 179.25 179.92 1le6 n TYR 20 N -3.14 0.33 -0.31 0.00 4.02 -0.21 -4.61 117.16 113.25 1le6 n TYR 20 Ca -0.02 -0.19 0.02 0.00 -0.01 0.00 0.00 57.90 57.70 1le6 n TYR 20 Cb 0.16 -0.00 0.09 0.00 -0.02 0.00 0.00 39.34 39.57 1le6 n TYR 20 CO 0.00 0.00 0.00 1.98 -1.01 0.00 0.00 176.86 177.83 1le6 h MET 21 N 4.10 -0.02 -2.22 -0.72 4.05 -1.37 -3.37 114.93 115.37 1le6 h MET 21 Ca 0.00 0.00 -0.25 0.00 -0.28 0.00 0.00 59.70 59.17 1le6 h MET 21 Cb 0.91 0.00 -0.33 0.00 -0.80 0.00 0.00 31.60 31.39 1le6 h MET 21 CO 0.00 -0.01 -0.56 0.21 0.23 0.00 0.00 176.91 176.77 1le6 s LYS 22 N -6.17 0.27 -0.18 0.39 2.47 -1.25 -3.94 119.74 111.33 1le6 s LYS 22 Ca -0.15 0.32 -0.14 0.00 -1.56 0.00 0.00 55.97 54.44 1le6 s LYS 22 Cb 0.23 -0.86 0.05 0.00 -1.46 0.00 0.00 37.83 35.79 1le6 s LYS 22 CO 0.75 -0.68 0.47 -0.47 0.16 0.00 0.00 175.35 175.58 1le6 s TYR 23 N 2.42 -0.58 0.00 4.03 6.14 -0.42 -0.16 117.35 128.78 1le6 s TYR 23 Ca 0.10 1.33 0.00 0.00 0.64 0.00 0.00 57.07 59.13 1le6 s TYR 23 Cb -0.15 0.23 0.00 0.00 0.42 0.00 0.00 41.96 42.46 1le6 s TYR 23 CO -0.15 -0.29 0.00 0.41 0.64 0.00 0.00 175.55 176.15 1le6 n GLY 24 N 3.34 0.96 0.02 8.97 0.00 0.11 -1.83 105.19 116.75 1le6 n GLY 24 Ca -0.17 -0.65 0.11 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.85 0.00 -2.45 0.00 3.01 -1.24 -2.75 117.46 112.18 1le6 n PHE 26 Ca 0.02 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.05 1le6 n PHE 26 Cb 0.42 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.87 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 5.02 2.36 3.58 0.00 0.00 -1.25 -1.30 105.19 113.59 1le6 n GLY 28 Ca 0.14 -2.00 -0.52 0.00 0.00 0.00 0.00 46.02 43.64 1le6 n GLY 28 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1le6 n LEU 29 N 0.00 1.42 0.00 0.99 7.94 -1.26 -4.57 117.00 121.52 1le6 n LEU 29 Ca 0.00 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 56.03 1le6 n LEU 29 Cb 0.00 -1.16 0.00 0.00 0.53 0.00 0.00 43.42 42.79 1le6 n LEU 29 CO 0.00 -1.19 0.00 0.61 -1.11 0.00 0.00 177.39 175.70 1le6 n GLY 30 N 2.34 0.71 0.00 -3.96 0.00 -1.26 -5.02 105.19 97.99 1le6 n GLY 30 Ca 0.18 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 4.93 3.53 -0.02 0.00 -1.26 -4.75 105.19 107.62 1le6 n GLY 31 Ca 0.00 -0.97 -0.11 0.00 0.00 0.00 0.00 46.02 44.94 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 -1.18 -0.40 0.00 1.61 -3.43 -1.11 -4.97 115.29 105.81 1le6 s HIS 32 Ca 0.00 0.50 0.00 0.00 -0.80 0.00 0.00 55.06 54.76 1le6 s HIS 32 Cb 0.00 0.49 0.00 0.00 -1.43 0.00 0.00 32.58 31.64 1le6 s HIS 32 CO 0.00 -0.48 0.00 0.41 -2.00 0.00 0.00 174.74 172.67 1le6 n GLY 33 N 0.29 -0.30 3.65 -1.38 0.00 -0.94 -4.49 105.19 102.01 1le6 n GLY 33 Ca -0.11 -2.22 -0.38 0.00 0.00 0.00 0.00 46.02 43.31 1le6 n GLY 33 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1le6 s GLN 34 N 0.00 4.11 0.13 1.61 -1.52 -1.26 -4.06 119.66 118.67 1le6 s GLN 34 Ca 0.00 0.08 -0.35 0.00 -1.95 0.00 0.00 55.36 53.14 1le6 s GLN 34 Cb 0.00 -3.57 -0.15 0.00 -0.22 0.00 0.00 33.01 29.07 1le6 s GLN 34 CO 0.00 -0.10 1.50 -2.30 -0.25 0.00 0.00 175.29 174.14 1le6 n PRO 35 N 4.72 1.82 0.12 2.91 -0.02 -1.26 -4.80 135.00 138.48 1le6 n PRO 35 Ca -0.09 0.66 -0.03 0.00 -2.02 0.00 0.00 63.50 62.02 1le6 n PRO 35 Cb 0.51 -2.38 0.10 0.00 -0.02 0.00 0.00 33.50 31.71 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 5.50 0.00 0.00 -0.52 2.47 -1.96 -3.47 114.38 116.41 1le6 h ARG 36 Ca -0.46 -0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.25 1le6 h ARG 36 Cb 1.28 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.60 1le6 h ARG 36 CO 0.85 0.71 0.11 -0.40 0.56 0.00 0.00 179.97 181.80 1le6 n ASP 37 N -3.70 -0.85 -0.15 7.04 5.68 -1.26 -5.00 116.55 118.31 1le6 n ASP 37 Ca -0.01 -1.58 -0.03 0.00 -0.50 0.00 0.00 54.79 52.68 1le6 n ASP 37 Cb 0.69 1.41 0.06 0.00 -1.14 0.00 0.00 41.12 42.14 1le6 n ASP 37 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1le6 h ALA 38 N 2.00 0.48 -0.20 2.12 0.00 -1.93 -0.04 119.26 121.70 1le6 h ALA 38 Ca -0.12 0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.95 1le6 h ALA 38 Cb 0.46 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1le6 h ALA 38 CO 0.16 -0.36 -0.01 0.82 0.00 0.00 0.00 179.25 179.86 1le6 h ILE 39 N 0.15 0.85 -0.63 0.00 2.04 -1.92 -1.20 117.51 116.80 1le6 h ILE 39 Ca 0.24 -0.02 0.03 0.00 1.00 0.00 0.00 64.86 66.11 1le6 h ILE 39 Cb 0.35 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 1le6 h ILE 39 CO -0.37 0.01 0.41 -0.78 0.00 0.00 0.00 178.15 177.42 1le6 h ASP 40 N 0.06 0.66 -0.26 1.72 3.58 -1.69 -0.27 116.42 120.22 1le6 h ASP 40 Ca 0.09 -0.01 -0.07 0.00 0.42 0.00 0.00 57.03 57.46 1le6 h ASP 40 Cb 0.12 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.00 1le6 h ASP 40 CO -0.16 0.46 -0.07 -0.50 -2.88 0.00 0.00 179.24 176.09 1le6 h TRP 41 N 0.77 0.67 -0.62 0.28 4.06 -0.07 -1.29 115.95 119.74 1le6 h TRP 41 Ca 0.25 -0.10 -0.05 0.00 2.06 0.00 0.00 58.89 61.04 1le6 h TRP 41 Cb 0.03 -0.18 -0.03 0.00 -1.00 0.00 0.00 29.16 27.99 1le6 h TRP 41 CO -0.00 0.68 0.18 0.00 -3.56 0.00 0.00 178.44 175.74 1le6 h HIS 44 N 0.00 0.23 -0.40 0.00 6.17 -0.83 0.14 115.15 120.47 1le6 h HIS 44 Ca -0.00 -0.05 -0.06 0.00 0.71 0.00 0.00 60.37 60.96 1le6 h HIS 44 Cb 0.81 -0.05 -0.02 0.00 2.52 0.00 0.00 27.41 30.66 1le6 h HIS 44 CO 0.00 0.52 -0.01 0.78 0.71 0.00 0.00 177.93 179.92 1le6 h GLY 45 N -0.13 0.69 1.11 5.26 0.00 -1.17 -1.51 103.07 107.32 1le6 h GLY 45 Ca 0.03 -0.44 -0.14 0.00 0.00 0.00 0.00 47.33 46.77 1le6 h GLY 45 CO 0.01 0.41 -0.30 0.84 0.00 0.00 0.00 176.54 177.50 1le6 h HIS 46 N 0.60 1.13 -0.89 5.60 6.17 -1.01 -1.28 115.15 125.48 1le6 h HIS 46 Ca 0.12 -0.31 -0.01 0.00 0.71 0.00 0.00 60.37 60.89 1le6 h HIS 46 Cb 0.40 -0.25 -0.04 0.00 2.52 0.00 0.00 27.41 30.04 1le6 h HIS 46 CO 0.02 1.13 0.53 -0.44 0.71 0.00 0.00 177.93 179.88 1le6 h ASP 47 N 0.80 1.07 -0.47 3.26 5.19 -0.36 -0.45 116.42 125.46 1le6 h ASP 47 Ca 0.08 -0.07 -0.02 0.00 -0.62 0.00 0.00 57.03 56.41 1le6 h ASP 47 Cb 0.89 -0.27 -0.02 0.00 0.18 0.00 0.00 39.33 40.10 1le6 h ASP 47 CO 0.08 0.82 0.24 0.00 -3.12 0.00 0.00 179.24 177.26 1le6 h TYR 50 N 0.51 0.66 -0.54 0.00 -1.99 -0.97 -1.84 116.97 112.79 1le6 h TYR 50 Ca 0.13 -0.07 -0.07 0.00 2.00 0.00 0.00 58.73 60.72 1le6 h TYR 50 Cb 0.23 -0.19 -0.02 0.00 2.00 0.00 0.00 36.73 38.75 1le6 h TYR 50 CO 0.01 0.62 0.08 1.15 -0.00 0.00 0.00 178.16 180.02 1le6 h THR 51 N 0.60 1.25 -0.53 -2.88 2.02 -1.03 0.04 112.91 112.39 1le6 h THR 51 Ca 0.13 -0.97 -0.02 0.00 0.77 0.00 0.00 66.41 66.31 1le6 h THR 51 Cb 0.36 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 67.58 1le6 h THR 51 CO 0.01 0.35 0.25 0.03 0.37 0.00 0.00 175.52 176.53 1le6 h ARG 52 N 0.78 0.77 -0.86 6.66 3.08 -1.09 -0.44 114.38 123.29 1le6 h ARG 52 Ca 0.16 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1le6 h ARG 52 Cb 0.42 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 30.29 1le6 h ARG 52 CO 0.01 0.65 0.54 0.00 -1.07 0.00 0.00 179.97 180.10 1le6 h ALA 53 N 1.09 1.09 -0.49 0.04 0.00 -1.06 -1.98 119.26 117.95 1le6 h ALA 53 Ca 0.18 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 1le6 h ALA 53 Cb 0.14 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1le6 h ALA 53 CO -0.02 0.53 0.02 0.93 0.00 0.00 0.00 179.25 180.70 1le6 h GLU 54 N 1.17 0.81 0.00 0.00 5.08 -0.48 -0.23 114.58 120.93 1le6 h GLU 54 Ca 0.31 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1le6 h GLU 54 Cb -0.09 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.06 1le6 h GLU 54 CO -0.06 0.80 -0.02 0.93 -1.00 0.00 0.00 179.01 179.66 1le6 h GLU 55 N 0.76 0.00 -0.50 2.33 5.08 -0.36 0.25 114.58 122.14 1le6 h GLU 55 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1le6 h GLU 55 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1le6 h GLU 55 CO 0.02 0.02 0.00 0.00 -1.00 0.00 0.00 179.01 178.04 1le6 n ALA 56 N -2.14 2.42 -0.75 3.43 0.00 -0.19 -4.91 120.51 118.37 1le6 n ALA 56 Ca -0.02 -0.89 0.00 0.00 0.00 0.00 0.00 53.44 52.53 1le6 n ALA 56 Cb 0.14 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.63 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 1.31 0.78 3.83 0.00 0.00 0.88 -5.01 105.19 106.98 1le6 n GLY 57 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.27 5.37 0.54 0.00 0.01 -1.26 -4.04 113.70 112.04 1le6 s SER 59 Ca 0.59 -2.69 0.31 0.00 1.31 0.00 0.00 55.95 55.48 1le6 s SER 59 Cb -0.09 -1.88 1.48 0.00 0.21 0.00 0.00 66.02 65.73 1le6 s SER 59 CO 0.16 -0.42 1.90 -0.65 0.41 0.00 0.00 173.24 174.63 1le6 h PRO 60 N 7.29 0.00 0.00 12.44 0.11 -1.93 -1.34 132.00 148.57 1le6 h PRO 60 Ca -0.03 -0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.90 1le6 h PRO 60 Cb 0.98 -0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.06 1le6 h PRO 60 CO 0.72 0.00 -0.85 -0.22 -0.21 0.00 0.00 178.00 177.44 1le6 h LYS 61 N 0.00 0.00 0.00 1.05 3.64 -1.93 -3.30 116.57 116.03 1le6 h LYS 61 Ca 0.41 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.79 1le6 h LYS 61 Cb 1.65 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.47 1le6 h LYS 61 CO -0.01 0.85 -0.84 0.25 -2.27 0.00 0.00 179.45 177.43 1le6 n THR 62 N -3.38 0.00 -1.82 1.00 -2.24 -0.97 -1.28 114.28 105.58 1le6 n THR 62 Ca 0.00 -0.08 -0.43 0.00 -2.27 0.00 0.00 64.05 61.27 1le6 n THR 62 Cb 0.85 0.58 -0.03 0.00 -2.10 0.00 0.00 70.33 69.64 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 -1.84 3.21 0.55 -0.78 2.56 -0.54 -4.63 118.70 117.23 1le6 s GLU 63 Ca -0.00 1.69 -0.17 0.00 0.00 0.00 0.00 54.97 56.49 1le6 s GLU 63 Cb 0.00 -4.28 -0.06 0.00 2.00 0.00 0.00 34.13 31.78 1le6 s GLU 63 CO 0.00 -2.00 1.02 1.03 -0.56 0.00 0.00 175.26 174.75 1le6 s ARG 64 N 6.03 3.65 0.09 4.30 1.81 -1.26 0.60 118.95 134.18 1le6 s ARG 64 Ca 0.89 1.12 -0.19 0.00 -1.72 0.00 0.00 55.73 55.82 1le6 s ARG 64 Cb -0.27 -2.08 0.05 0.00 -0.45 0.00 0.00 34.95 32.19 1le6 s ARG 64 CO 0.34 -0.53 0.47 1.52 -0.68 0.00 0.00 175.30 176.42 1le6 s TYR 65 N -2.47 -0.33 0.09 -0.53 -0.85 -1.26 -4.83 117.35 107.17 1le6 s TYR 65 Ca 0.62 0.19 -0.20 0.00 -0.52 0.00 0.00 57.07 57.16 1le6 s TYR 65 Cb -0.13 0.33 -0.07 0.00 0.38 0.00 0.00 41.96 42.46 1le6 s TYR 65 CO 0.32 -0.69 0.59 -1.12 -1.52 0.00 0.00 175.55 173.14 1le6 s SER 66 N -2.42 7.08 0.17 -0.18 0.01 -1.26 -4.98 113.70 112.12 1le6 s SER 66 Ca -0.01 1.29 -0.24 0.00 1.31 0.00 0.00 55.95 58.30 1le6 s SER 66 Cb 0.00 -2.37 0.06 0.00 0.21 0.00 0.00 66.02 63.92 1le6 s SER 66 CO -0.08 0.25 0.90 -1.66 0.41 0.00 0.00 173.24 173.06 1le6 s TRP 67 N -1.16 -0.16 0.07 2.43 1.48 -1.26 -1.40 118.94 118.93 1le6 s TRP 67 Ca 0.31 -0.17 -0.15 0.00 -1.06 0.00 0.00 56.10 55.03 1le6 s TRP 67 Cb -0.19 0.65 0.03 0.00 -1.16 0.00 0.00 33.47 32.79 1le6 s TRP 67 CO 0.20 -0.90 0.35 1.14 -4.06 0.00 0.00 176.95 173.67 1le6 s GLN 68 N -3.43 0.91 -0.25 3.25 -2.07 -0.61 -4.96 119.66 112.50 1le6 s GLN 68 Ca 0.11 -0.55 -0.09 0.00 -1.82 0.00 0.00 55.36 53.01 1le6 s GLN 68 Cb -0.02 0.40 -0.04 0.00 -1.09 0.00 0.00 33.01 32.25 1le6 s GLN 68 CO 0.02 -0.31 0.12 0.00 -1.32 0.00 0.00 175.29 173.80 1le6 s VAL 70 N 1.52 1.00 -1.41 0.00 1.01 -0.02 -4.83 120.40 117.68 1le6 s VAL 70 Ca 0.06 -0.61 -0.03 0.00 0.00 0.00 0.00 61.98 61.40 1le6 s VAL 70 Cb -0.15 -1.23 0.02 0.00 0.00 0.00 0.00 36.38 35.02 1le6 s VAL 70 CO 0.06 0.07 0.64 -3.20 0.00 0.00 0.00 175.10 172.67 1le6 n ASN 71 N 4.90 -1.52 -1.60 3.32 5.15 -1.26 -0.81 115.26 123.45 1le6 n ASN 71 Ca -0.11 -0.90 -0.17 0.00 -0.60 0.00 0.00 54.58 52.80 1le6 n ASN 71 Cb 0.47 -3.56 -0.04 0.00 -0.53 0.00 0.00 39.78 36.12 1le6 n ASN 71 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1le6 n GLN 72 N -4.39 -1.26 -5.10 1.20 6.02 -1.26 -5.00 117.38 107.59 1le6 n GLN 72 Ca -0.23 0.96 -0.29 0.00 -0.01 0.00 0.00 57.00 57.44 1le6 n GLN 72 Cb 0.65 -5.28 -0.16 0.00 1.02 0.00 0.00 30.24 26.47 1le6 n GLN 72 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1le6 s SER 73 N -2.54 2.68 -0.20 1.08 0.01 0.01 -4.21 113.70 110.53 1le6 s SER 73 Ca 0.00 -0.42 -0.20 0.00 1.31 0.00 0.00 55.95 56.64 1le6 s SER 73 Cb 0.00 -0.29 -0.03 0.00 0.21 0.00 0.00 66.02 65.91 1le6 s SER 73 CO 0.00 0.27 0.58 -0.69 0.41 0.00 0.00 173.24 173.82 1le6 s VAL 74 N -0.55 5.05 -0.24 3.43 1.01 -1.26 -0.84 120.40 127.00 1le6 s VAL 74 Ca 0.09 1.09 -0.04 0.00 0.00 0.00 0.00 61.98 63.12 1le6 s VAL 74 Cb -0.09 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.39 1le6 s VAL 74 CO -0.01 0.13 -0.03 -0.76 0.00 0.00 0.00 175.10 174.44 1le6 s LEU 75 N 1.84 3.11 -0.02 3.92 2.01 -0.42 -4.99 118.68 124.14 1le6 s LEU 75 Ca 0.27 -0.54 -0.21 0.00 0.01 0.00 0.00 54.13 53.66 1le6 s LEU 75 Cb -0.16 -1.75 -0.05 0.00 0.01 0.00 0.00 46.19 44.25 1le6 s LEU 75 CO 0.10 -0.07 0.61 0.00 1.01 0.00 0.00 176.35 178.00 1le6 n GLY 77 N 2.57 0.75 3.77 0.00 0.00 -0.50 -4.84 105.19 106.94 1le6 n GLY 77 Ca -0.06 -2.20 -0.38 0.00 0.00 0.00 0.00 46.02 43.38 1le6 n GLY 77 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1le6 s PRO 78 N -1.10 4.13 0.22 1.61 0.02 -1.26 -4.06 135.00 134.55 1le6 s PRO 78 Ca 0.00 1.80 -0.22 0.00 0.02 0.00 0.00 61.00 62.60 1le6 s PRO 78 Cb 0.00 -2.71 -0.08 0.00 0.02 0.00 0.00 34.50 31.72 1le6 s PRO 78 CO 0.00 -0.25 0.76 0.00 -0.33 0.00 0.00 177.00 177.19 1le6 s ALA 79 N -1.42 3.40 -0.09 -1.55 0.00 -1.26 -4.57 121.76 116.28 1le6 s ALA 79 Ca 0.56 0.26 0.21 0.00 0.00 0.00 0.00 51.96 52.98 1le6 s ALA 79 Cb -0.30 -2.90 -0.29 0.00 0.00 0.00 0.00 23.12 19.63 1le6 s ALA 79 CO 0.38 0.30 0.42 0.39 0.00 0.00 0.00 175.76 177.25 1le6 n GLU 80 N 0.94 0.66 -4.04 0.00 1.02 -1.26 -5.01 120.64 112.95 1le6 n GLU 80 Ca -0.03 -0.11 -0.12 0.00 -0.02 0.00 0.00 57.16 56.88 1le6 n GLU 80 Cb 0.50 -1.55 -0.04 0.00 -0.02 0.00 0.00 31.44 30.33 1le6 n GLU 80 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1le6 s ASN 81 N -4.88 0.44 0.23 1.62 2.20 -1.26 -5.06 114.94 108.24 1le6 s ASN 81 Ca -0.08 -1.26 -0.07 0.00 -0.94 0.00 0.00 52.86 50.51 1le6 s ASN 81 Cb 0.11 0.63 0.20 0.00 -2.00 0.00 0.00 41.25 40.20 1le6 s ASN 81 CO 0.88 -1.24 1.85 0.50 -2.94 0.00 0.00 177.10 176.15 1le6 h LYS 82 N 2.19 1.23 -0.70 3.55 1.63 -2.00 -2.87 116.57 119.60 1le6 h LYS 82 Ca -0.28 -0.14 -0.05 0.00 -0.85 0.00 0.00 60.65 59.32 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 0.39 0.90 0.24 0.00 -3.45 0.00 0.00 179.45 177.53 1le6 h GLN 84 N 1.01 0.84 -0.61 0.00 4.20 -1.85 -0.28 115.11 118.42 1le6 h GLN 84 Ca 0.23 -0.13 -0.02 0.00 0.06 0.00 0.00 58.65 58.79 1le6 h GLN 84 Cb 0.26 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 27.87 1le6 h GLN 84 CO -0.01 0.69 0.31 1.49 -0.67 0.00 0.00 178.83 180.63 1le6 h GLU 85 N 0.79 0.87 -0.08 1.46 4.81 -1.28 -1.81 114.58 119.33 1le6 h GLU 85 Ca 0.20 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 1le6 h GLU 85 Cb 0.13 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.35 1le6 h GLU 85 CO -0.02 0.69 0.00 -0.07 -0.73 0.00 0.00 179.01 178.88 1le6 h LEU 86 N 0.83 0.13 -0.50 1.64 4.07 -0.95 -3.00 115.31 117.54 1le6 h LEU 86 Ca 0.21 -0.30 -0.05 0.00 0.08 0.00 0.00 57.88 57.81 1le6 h LEU 86 Cb 0.10 -0.04 -0.02 0.00 1.08 0.00 0.00 40.66 41.78 1le6 h LEU 86 CO -0.03 0.40 0.10 -0.07 -1.08 0.00 0.00 178.44 177.77 1le6 h LEU 87 N -0.14 0.77 -1.05 1.67 3.38 -0.98 -2.41 115.31 116.54 1le6 h LEU 87 Ca 0.02 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.71 1le6 h LEU 87 Cb 0.33 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 1le6 h LEU 87 CO 0.00 0.81 0.20 0.00 0.09 0.00 0.00 178.44 179.55 1le6 h LYS 89 N 0.86 0.93 -0.20 0.00 1.57 -1.35 0.21 116.57 118.59 1le6 h LYS 89 Ca 0.20 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 1le6 h LYS 89 Cb 0.22 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 1le6 h LYS 89 CO -0.01 0.79 0.04 0.00 -0.57 0.00 0.00 179.45 179.69 1le6 h ASP 91 N 0.12 0.88 -0.89 0.00 3.32 -1.08 -1.68 116.42 117.10 1le6 h ASP 91 Ca 0.06 -0.42 0.00 0.00 0.02 0.00 0.00 57.03 56.69 1le6 h ASP 91 Cb 0.30 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.56 1le6 h ASP 91 CO 0.00 1.19 0.56 -0.61 -1.72 0.00 0.00 179.24 178.66 1le6 h GLN 92 N 0.66 1.19 -0.28 3.56 4.15 -0.56 -0.03 115.11 123.80 1le6 h GLN 92 Ca 0.04 -0.09 -0.04 0.00 0.77 0.00 0.00 58.65 59.33 1le6 h GLN 92 Cb 1.00 -0.26 -0.01 0.00 0.21 0.00 0.00 27.48 28.43 1le6 h GLN 92 CO 0.10 0.81 0.02 1.49 -1.93 0.00 0.00 178.83 179.32 1le6 h GLU 93 N 1.21 0.49 -0.30 1.69 4.81 -0.89 -1.83 114.58 119.76 1le6 h GLU 93 Ca 0.32 -0.15 -0.13 0.00 -0.13 0.00 0.00 59.36 59.27 1le6 h GLU 93 Cb -0.09 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 1le6 h GLU 93 CO -0.06 0.63 -0.35 0.97 -0.73 0.00 0.00 179.01 179.46 1le6 h ILE 94 N 0.28 1.29 -0.30 2.32 2.10 -1.07 -1.13 117.51 121.00 1le6 h ILE 94 Ca 0.08 -1.50 0.03 0.00 1.08 0.00 0.00 64.86 64.55 1le6 h ILE 94 Cb 0.40 1.43 -0.03 0.00 -1.09 0.00 0.00 36.82 37.53 1le6 h ILE 94 CO 0.01 0.49 0.11 0.00 -1.08 0.00 0.00 178.15 177.68 1le6 h ALA 95 N 1.04 0.34 -0.71 0.18 0.00 -0.92 0.36 119.26 119.56 1le6 h ALA 95 Ca 0.06 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1le6 h ALA 95 Cb 0.87 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 1le6 h ALA 95 CO 0.08 -0.28 0.25 -0.91 0.00 0.00 0.00 179.25 178.38 1le6 h ASN 96 N 0.25 1.01 -0.48 0.00 -0.26 -1.17 -1.83 115.58 113.10 1le6 h ASN 96 Ca 0.13 -0.19 -0.04 0.00 -0.56 0.00 0.00 56.30 55.63 1le6 h ASN 96 Cb 0.09 -0.26 -0.03 0.00 -1.06 0.00 0.00 38.32 37.06 1le6 h ASN 96 CO -0.12 0.93 0.15 0.00 -1.06 0.00 0.00 177.43 177.33 1le6 h LEU 98 N 0.78 0.00 -0.85 0.00 3.38 -0.72 -3.40 115.31 114.49 1le6 h LEU 98 Ca 0.18 0.00 0.29 0.00 0.09 0.00 0.00 57.88 58.43 1le6 h LEU 98 Cb 0.25 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 40.84 1le6 h LEU 98 CO -0.01 0.81 0.21 0.00 0.09 0.00 0.00 178.44 179.54 1le6 n ALA 99 N -2.37 0.63 -1.46 1.53 0.00 -0.71 -1.44 120.51 116.69 1le6 n ALA 99 Ca -0.05 0.90 -0.02 0.00 0.00 0.00 0.00 53.44 54.27 1le6 n ALA 99 Cb 0.90 -0.76 0.20 0.00 0.00 0.00 0.00 19.45 19.79 1le6 n ALA 99 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1le6 n GLN 100 N -5.10 1.82 -2.72 0.00 6.02 -1.26 -4.51 117.38 111.63 1le6 n GLN 100 Ca 0.25 -3.19 -0.27 0.00 -0.01 0.00 0.00 57.00 53.79 1le6 n GLN 100 Cb 0.85 -1.77 -0.00 0.00 1.02 0.00 0.00 30.24 30.33 1le6 n GLN 100 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1le6 s THR 101 N -3.22 4.93 -0.18 5.09 -4.23 -0.52 -5.08 115.64 112.42 1le6 s THR 101 Ca 0.43 0.14 -0.09 0.00 -1.18 0.00 0.00 61.69 60.99 1le6 s THR 101 Cb 0.39 -3.86 -0.05 0.00 1.34 0.00 0.00 72.50 70.33 1le6 s THR 101 CO -0.01 -0.81 0.10 -0.70 -0.54 0.00 0.00 174.62 172.66 1le6 s GLU 102 N -4.67 3.99 -0.07 3.99 2.12 -1.26 -5.08 118.70 117.71 1le6 s GLU 102 Ca 0.47 -0.26 -0.18 0.00 0.36 0.00 0.00 54.97 55.36 1le6 s GLU 102 Cb -0.10 -3.30 -0.05 0.00 0.26 0.00 0.00 34.13 30.94 1le6 s GLU 102 CO 0.44 0.36 0.50 -0.47 -0.54 0.00 0.00 175.26 175.54 1le6 s TYR 103 N 0.16 3.58 -0.32 5.30 6.14 -1.26 -4.80 117.35 126.15 1le6 s TYR 103 Ca 0.07 0.98 -0.00 0.00 0.64 0.00 0.00 57.07 58.76 1le6 s TYR 103 Cb -0.12 -2.53 0.07 0.00 0.42 0.00 0.00 41.96 39.80 1le6 s TYR 103 CO -0.00 0.28 0.02 1.21 0.64 0.00 0.00 175.55 177.70 1le6 s ASN 104 N 0.19 4.86 0.46 4.32 3.84 -1.26 -4.98 114.94 122.37 1le6 s ASN 104 Ca 0.27 -1.54 0.25 0.00 0.21 0.00 0.00 52.86 52.05 1le6 s ASN 104 Cb -0.16 -1.69 1.28 0.00 -0.55 0.00 0.00 41.25 40.12 1le6 s ASN 104 CO 0.12 -0.31 1.81 0.25 -2.79 0.00 0.00 177.10 176.19 1le6 h LEU 105 N 7.92 0.25 -2.14 3.21 5.85 -1.98 -0.35 115.31 128.07 1le6 h LEU 105 Ca -0.17 0.04 0.07 0.00 0.84 0.00 0.00 57.88 58.66 1le6 h LEU 105 Cb 1.05 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.07 1le6 h LEU 105 CO 0.55 0.06 0.29 0.11 -0.34 0.00 0.00 178.44 179.11 1le6 h LYS 106 N 0.23 0.00 -0.01 1.25 1.57 -2.04 -1.68 116.57 115.89 1le6 h LYS 106 Ca 0.54 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.32 1le6 h LYS 106 Cb 1.67 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.98 1le6 h LYS 106 CO -0.16 0.00 -0.44 0.66 -0.57 0.00 0.00 179.45 178.94 1le6 n TYR 107 N -3.68 0.00 -1.96 -1.35 4.01 -0.14 -4.67 117.16 109.37 1le6 n TYR 107 Ca 0.03 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.35 1le6 n TYR 107 Cb 0.43 -0.05 -0.03 0.00 -0.31 0.00 0.00 39.34 39.38 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 -2.55 4.32 -1.35 7.72 2.96 -0.63 -0.72 118.68 128.43 1le6 s LEU 108 Ca 0.19 2.28 -0.08 0.00 -0.22 0.00 0.00 54.13 56.30 1le6 s LEU 108 Cb 0.18 -3.53 0.01 0.00 0.50 0.00 0.00 46.19 43.35 1le6 s LEU 108 CO 0.58 -0.96 1.10 0.49 -1.32 0.00 0.00 176.35 176.24 1le6 n PHE 109 N 7.27 -2.74 -1.74 5.38 3.01 0.77 -4.94 117.46 124.47 1le6 n PHE 109 Ca 0.18 0.95 -0.40 0.00 1.01 0.00 0.00 57.45 59.18 1le6 n PHE 109 Cb 0.43 -4.91 0.02 0.00 -0.01 0.00 0.00 39.48 35.01 1le6 n PHE 109 CO 0.00 0.00 0.00 0.98 1.01 0.00 0.00 176.76 178.75 1le6 n TYR 110 N -4.91 2.48 -1.93 1.38 9.36 -0.75 -4.88 117.16 117.91 1le6 n TYR 110 Ca -0.00 0.45 -0.42 0.00 3.32 0.00 0.00 57.90 61.25 1le6 n TYR 110 Cb 0.57 -2.42 -0.03 0.00 -0.63 0.00 0.00 39.34 36.83 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 -2.45 4.13 0.42 2.98 0.02 -1.26 -4.82 135.00 134.02 1le6 s PRO 111 Ca 0.63 2.25 0.08 0.00 0.02 0.00 0.00 61.00 63.98 1le6 s PRO 111 Cb -0.46 -4.04 0.90 0.00 0.02 0.00 0.00 34.50 30.92 1le6 s PRO 111 CO 0.56 -0.92 2.07 0.37 -0.33 0.00 0.00 177.00 178.75 1le6 h GLN 112 N 9.95 0.48 0.00 5.54 5.75 -1.89 -1.43 115.11 133.50 1le6 h GLN 112 Ca -0.41 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.06 1le6 h GLN 112 Cb 1.19 -0.11 0.00 0.00 1.07 0.00 0.00 27.48 29.63 1le6 h GLN 112 CO 0.95 0.32 0.00 1.97 -2.65 0.00 0.00 178.83 179.43 1le6 n PHE 113 N -4.48 0.00 1.35 3.99 1.16 -1.26 -1.10 117.46 117.12 1le6 n PHE 113 Ca 0.02 0.00 0.13 0.00 -1.87 0.00 0.00 57.45 55.74 1le6 n PHE 113 Cb 0.07 -0.49 0.41 0.00 -1.61 0.00 0.00 39.48 37.85 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 -1.49 1.57 -4.72 5.98 4.77 -0.54 -4.86 117.00 117.71 1le6 n LEU 114 Ca 0.03 -0.51 -0.37 0.00 -0.03 0.00 0.00 56.01 55.13 1le6 n LEU 114 Cb 0.15 -0.03 -0.06 0.00 -2.33 0.00 0.00 43.42 41.14 1le6 n LEU 114 CO 0.12 0.27 0.11 0.00 -1.33 0.00 0.00 177.39 176.56 1le6 n GLU 116 N 3.67 0.34 -0.07 0.00 4.71 -1.26 -4.76 120.64 123.27 1le6 n GLU 116 Ca -0.08 0.16 -0.07 0.00 -0.01 0.00 0.00 57.16 57.15 1le6 n GLU 116 Cb 0.52 -1.90 0.10 0.00 -1.01 0.00 0.00 31.44 29.15 1le6 n GLU 116 CO 0.00 0.00 0.00 -1.35 0.09 0.00 0.00 177.13 175.87 1le6 h PRO 117 N -0.34 0.72 -6.62 3.49 0.11 -1.96 -2.49 132.00 124.92 1le6 h PRO 117 Ca -0.46 -0.30 -0.51 0.00 0.11 0.00 0.00 66.00 64.84 1le6 h PRO 117 Cb 1.35 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.41 1le6 h PRO 117 CO 0.43 0.90 0.00 -0.51 -0.21 0.00 0.00 178.00 178.61 1le6 s ASP 118 N -6.77 6.65 0.07 -2.05 -0.00 -1.26 -4.48 116.67 108.83 1le6 s ASP 118 Ca -0.09 1.08 0.04 0.00 -0.00 0.00 0.00 52.55 53.58 1le6 s ASP 118 Cb 0.13 -2.29 -0.03 0.00 -0.00 0.00 0.00 42.92 40.73 1le6 s ASP 118 CO 0.83 -0.18 -0.11 -0.44 -0.00 0.00 0.00 175.17 175.26 1le6 s SER 119 N -2.50 1.42 0.51 0.27 0.01 -1.26 -2.33 113.70 109.81 1le6 s SER 119 Ca 0.50 -0.66 -0.23 0.00 1.31 0.00 0.00 55.95 56.87 1le6 s SER 119 Cb -0.11 -0.01 -0.07 0.00 0.21 0.00 0.00 66.02 66.04 1le6 s SER 119 CO 0.22 -0.16 1.26 -2.65 0.41 0.00 0.00 173.24 172.32 1le6 n PRO 120 N 1.09 1.66 -1.44 12.44 -0.02 -1.26 -4.94 135.00 142.54 1le6 n PRO 120 Ca -0.20 0.60 -0.32 0.00 -2.02 0.00 0.00 63.50 61.56 1le6 n PRO 120 Cb 0.55 -2.44 0.08 0.00 -0.02 0.00 0.00 33.50 31.67 1le6 n PRO 120 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 1le6 s LYS 121 N -2.61 2.36 0.12 -0.52 0.00 -1.26 -5.02 119.74 112.80 1le6 s LYS 121 Ca 0.68 1.37 -0.14 0.00 0.00 0.00 0.00 55.97 57.88 1le6 s LYS 121 Cb -0.45 -1.90 -0.07 0.00 0.00 0.00 0.00 37.83 35.42 1le6 s LYS 121 CO 0.52 -1.59 0.53 0.00 0.00 0.00 0.00 175.35 174.80