#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1le7 n ILE 2 N 0.00 -0.43 -0.09 -0.61 0.13 -0.65 -0.55 119.36 117.16 1le7 n ILE 2 Ca 0.00 2.21 -0.08 0.00 -1.10 0.00 0.00 62.75 63.77 1le7 n ILE 2 Cb 0.00 -3.01 -0.01 0.00 -0.84 0.00 0.00 39.64 35.78 1le7 n ILE 2 CO 0.00 0.00 0.00 -0.07 2.80 0.00 0.00 176.55 179.28 1le7 h LEU 3 N 0.00 0.31 -0.98 9.51 4.07 -1.96 -0.91 115.31 125.36 1le7 h LEU 3 Ca 0.42 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 58.34 1le7 h LEU 3 Cb 0.66 -0.06 -0.03 0.00 1.08 0.00 0.00 40.66 42.31 1le7 h LEU 3 CO -0.98 0.23 0.26 -0.33 -1.08 0.00 0.00 178.44 176.54 1le7 h GLU 4 N 0.39 1.00 -0.17 1.13 3.07 -1.22 0.59 114.58 119.37 1le7 h GLU 4 Ca 0.13 -0.17 -0.01 0.00 -0.50 0.00 0.00 59.36 58.81 1le7 h GLU 4 Cb -0.01 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 27.73 1le7 h GLU 4 CO -0.06 0.82 0.08 1.25 -1.40 0.00 0.00 179.01 179.70 1le7 h LEU 5 N 0.98 0.23 -0.64 1.33 5.85 -0.50 0.20 115.31 122.76 1le7 h LEU 5 Ca 0.23 -0.14 -0.05 0.00 0.84 0.00 0.00 57.88 58.76 1le7 h LEU 5 Cb 0.20 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 1le7 h LEU 5 CO -0.02 0.31 0.21 0.00 -0.34 0.00 0.00 178.44 178.60 1le7 h ALA 6 N 0.93 0.84 0.33 1.25 0.00 -0.90 -2.35 119.26 119.36 1le7 h ALA 6 Ca 0.06 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1le7 h ALA 6 Cb 0.14 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1le7 h ALA 6 CO -0.01 0.51 -0.16 0.78 0.00 0.00 0.00 179.25 180.37 1le7 h GLY 7 N 0.93 -0.47 0.90 0.00 0.00 -0.60 -1.34 103.07 102.49 1le7 h GLY 7 Ca 0.21 0.17 0.06 0.00 0.00 0.00 0.00 47.33 47.77 1le7 h GLY 7 CO -0.01 -0.17 0.59 -0.91 0.00 0.00 0.00 176.54 176.04 1le7 h THR 8 N -0.57 1.09 -0.40 4.70 1.35 -0.56 0.73 112.91 119.24 1le7 h THR 8 Ca -0.05 -0.36 -0.12 0.00 -0.55 0.00 0.00 66.41 65.33 1le7 h THR 8 Cb 0.42 -0.05 -0.01 0.00 -1.73 0.00 0.00 68.15 66.78 1le7 h THR 8 CO 0.08 0.19 -0.23 0.58 -0.25 0.00 0.00 175.52 175.89 1le7 h VAL 9 N 1.05 1.28 -0.55 6.82 2.07 -1.37 -2.88 116.25 122.67 1le7 h VAL 9 Ca 0.38 -1.38 -0.11 0.00 0.82 0.00 0.00 66.70 66.41 1le7 h VAL 9 Cb 0.14 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 1le7 h VAL 9 CO -0.13 0.46 -0.08 1.23 0.02 0.00 0.00 177.57 179.07 1le7 h GLY 10 N 0.67 1.10 0.50 2.17 0.00 -0.56 -1.26 103.07 105.70 1le7 h GLY 10 Ca 0.09 -0.86 0.03 0.00 0.00 0.00 0.00 47.33 46.59 1le7 h GLY 10 CO 0.07 0.79 -0.20 0.00 0.00 0.00 0.00 176.54 177.19 1le7 h VAL 12 N -0.31 1.03 -4.10 0.00 2.07 -1.53 -3.42 116.25 109.99 1le7 h VAL 12 Ca 0.07 -2.54 -0.45 0.00 0.82 0.00 0.00 66.70 64.59 1le7 h VAL 12 Cb 0.39 2.83 0.15 0.00 -1.52 0.00 0.00 31.29 33.14 1le7 h VAL 12 CO -0.20 0.84 0.31 -0.83 0.02 0.00 0.00 177.57 177.70 1le7 s GLY 13 N -4.98 1.62 0.00 2.17 0.00 -0.48 -4.84 107.32 100.81 1le7 s GLY 13 Ca -0.15 -0.76 0.22 0.00 0.00 0.00 0.00 44.72 44.04 1le7 s GLY 13 CO 0.87 -0.10 1.43 -1.55 0.00 0.00 0.00 173.10 173.75 1le7 n PRO 14 N -3.90 2.33 -4.03 2.90 -0.04 -1.26 -4.89 135.00 126.11 1le7 n PRO 14 Ca 0.10 -2.00 -0.09 0.00 -0.04 0.00 0.00 63.50 61.46 1le7 n PRO 14 Cb 0.59 -1.48 -0.08 0.00 -0.04 0.00 0.00 33.50 32.49 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 -1.56 1.04 0.46 0.54 1.70 -1.26 -5.14 118.95 114.74 1le7 s ARG 15 Ca 0.37 -1.26 -0.25 0.00 -0.47 0.00 0.00 55.73 54.12 1le7 s ARG 15 Cb 0.21 0.32 -0.08 0.00 -0.57 0.00 0.00 34.95 34.84 1le7 s ARG 15 CO 0.30 -0.35 1.41 -0.08 -1.08 0.00 0.00 175.30 175.50 1le7 s THR 16 N -3.99 2.13 0.51 4.99 -1.32 -1.26 -4.71 115.64 111.99 1le7 s THR 16 Ca 0.19 0.11 0.20 0.00 -1.21 0.00 0.00 61.69 60.98 1le7 s THR 16 Cb 0.05 -3.06 0.28 0.00 -1.51 0.00 0.00 72.50 68.25 1le7 s THR 16 CO -0.00 0.01 2.14 -0.65 -2.21 0.00 0.00 174.62 173.91 1le7 h PRO 17 N 2.27 0.00 -0.00 7.08 0.11 -1.91 -1.71 132.00 137.84 1le7 h PRO 17 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1le7 h PRO 17 Cb 1.27 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.38 1le7 h PRO 17 CO 0.61 0.05 0.06 0.82 -0.21 0.00 0.00 178.00 179.33 1le7 h ILE 18 N 0.00 0.01 0.00 4.15 2.04 -1.96 -1.13 117.51 120.62 1le7 h ILE 18 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1le7 h ILE 18 Cb 0.09 0.94 0.00 0.00 -0.74 0.00 0.00 36.82 37.11 1le7 h ILE 18 CO 0.01 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.16 1le7 n ALA 19 N -2.05 1.48 -0.04 1.87 0.00 -0.64 -2.21 120.51 118.91 1le7 n ALA 19 Ca -0.03 0.09 0.04 0.00 0.00 0.00 0.00 53.44 53.54 1le7 n ALA 19 Cb 0.13 -1.33 0.09 0.00 0.00 0.00 0.00 19.45 18.33 1le7 n ALA 19 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1le7 n TYR 20 N -2.12 0.25 -0.14 0.00 4.02 -0.43 -4.68 117.16 114.07 1le7 n TYR 20 Ca 0.01 -0.42 -0.05 0.00 -0.01 0.00 0.00 57.90 57.44 1le7 n TYR 20 Cb 0.16 -0.03 0.04 0.00 -0.02 0.00 0.00 39.34 39.49 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 1.35 0.37 -2.56 -0.72 4.05 -1.53 -3.36 114.93 112.53 1le7 h MET 21 Ca 0.00 -0.02 -0.48 0.00 -0.28 0.00 0.00 59.70 58.92 1le7 h MET 21 Cb 0.59 -0.08 -0.38 0.00 -0.80 0.00 0.00 31.60 30.93 1le7 h MET 21 CO 0.00 0.24 -0.75 0.21 0.23 0.00 0.00 176.91 176.84 1le7 s LYS 22 N -6.14 0.29 -0.15 0.39 2.36 -1.25 -3.85 119.74 111.38 1le7 s LYS 22 Ca -0.13 -0.55 -0.14 0.00 -2.55 0.00 0.00 55.97 52.61 1le7 s LYS 22 Cb 0.13 -1.03 0.04 0.00 -1.05 0.00 0.00 37.83 35.92 1le7 s LYS 22 CO 0.72 -1.05 0.41 -0.47 1.55 0.00 0.00 175.35 176.51 1le7 s TYR 23 N 2.01 -0.46 0.00 4.03 6.14 -0.85 -1.13 117.35 127.09 1le7 s TYR 23 Ca 0.11 1.11 0.00 0.00 0.64 0.00 0.00 57.07 58.93 1le7 s TYR 23 Cb -0.16 0.16 0.00 0.00 0.42 0.00 0.00 41.96 42.38 1le7 s TYR 23 CO -0.30 -0.23 0.00 0.41 0.64 0.00 0.00 175.55 176.08 1le7 n GLY 24 N 2.99 0.98 0.00 8.97 0.00 -0.34 -1.93 105.19 115.87 1le7 n GLY 24 Ca -0.14 -0.70 0.10 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.60 0.00 -2.69 0.00 3.01 -1.25 -2.61 117.46 112.31 1le7 n PHE 26 Ca 0.03 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.07 1le7 n PHE 26 Cb 0.36 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.80 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 5.03 3.18 2.14 0.00 0.00 -1.25 -2.00 105.19 112.29 1le7 n GLY 28 Ca 0.07 -1.98 -0.37 0.00 0.00 0.00 0.00 46.02 43.74 1le7 n GLY 28 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1le7 n LEU 29 N 0.00 0.27 0.00 0.99 4.77 -1.26 -4.51 117.00 117.26 1le7 n LEU 29 Ca 0.00 0.70 0.11 0.00 -0.03 0.00 0.00 56.01 56.79 1le7 n LEU 29 Cb 0.00 -0.54 -0.03 0.00 -2.33 0.00 0.00 43.42 40.52 1le7 n LEU 29 CO 0.00 -0.90 -0.15 0.61 -1.33 0.00 0.00 177.39 175.63 1le7 n GLY 30 N 1.46 -1.94 0.00 -0.72 0.00 -1.26 -5.06 105.19 97.68 1le7 n GLY 30 Ca 0.14 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.66 3.22 3.51 -0.02 0.00 -1.26 -4.68 105.19 103.30 1le7 n GLY 31 Ca 0.01 -0.03 -0.11 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.37 -0.44 0.00 1.61 -3.43 -1.07 -4.95 115.29 106.64 1le7 s HIS 32 Ca 0.00 0.53 0.00 0.00 -0.80 0.00 0.00 55.06 54.79 1le7 s HIS 32 Cb 0.00 0.49 0.00 0.00 -1.43 0.00 0.00 32.58 31.64 1le7 s HIS 32 CO 0.00 -0.55 0.00 0.41 -2.00 0.00 0.00 174.74 172.60 1le7 n GLY 33 N 0.23 -0.47 3.59 -1.38 0.00 -1.09 -4.50 105.19 101.56 1le7 n GLY 33 Ca -0.12 -2.20 -0.41 0.00 0.00 0.00 0.00 46.02 43.29 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 3.89 0.13 1.61 2.00 -1.26 -3.96 119.66 122.07 1le7 s GLN 34 Ca 0.00 0.16 -0.35 0.00 -2.00 0.00 0.00 55.36 53.17 1le7 s GLN 34 Cb 0.00 -3.72 -0.16 0.00 0.80 0.00 0.00 33.01 29.93 1le7 s GLN 34 CO 0.00 -0.49 1.24 -2.30 -0.50 0.00 0.00 175.29 173.24 1le7 n PRO 35 N 5.68 1.11 0.09 1.67 -0.02 -1.26 -4.86 135.00 137.40 1le7 n PRO 35 Ca -0.04 0.40 -0.08 0.00 -2.02 0.00 0.00 63.50 61.76 1le7 n PRO 35 Cb 0.49 -1.96 -0.03 0.00 -0.02 0.00 0.00 33.50 31.98 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 3.91 0.14 0.00 -0.52 2.47 -1.95 -3.48 114.38 114.96 1le7 h ARG 36 Ca -0.45 -0.18 -0.00 0.00 -1.26 0.00 0.00 59.98 58.08 1le7 h ARG 36 Cb 1.34 0.05 -0.00 0.00 -1.65 0.00 0.00 29.97 29.72 1le7 h ARG 36 CO 0.73 0.96 0.01 -0.40 0.56 0.00 0.00 179.97 181.84 1le7 n ASP 37 N -3.59 -0.12 0.15 7.04 5.75 -1.26 -5.01 116.55 119.51 1le7 n ASP 37 Ca -0.03 -1.09 -0.13 0.00 -0.01 0.00 0.00 54.79 53.52 1le7 n ASP 37 Cb 0.84 0.20 -0.06 0.00 -1.03 0.00 0.00 41.12 41.07 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 1.88 -0.49 -0.61 2.12 0.00 -1.94 -0.04 119.26 120.18 1le7 h ALA 38 Ca -0.02 -0.06 0.11 0.00 0.00 0.00 0.00 54.91 54.94 1le7 h ALA 38 Cb 0.07 0.40 -0.08 0.00 0.00 0.00 0.00 17.79 18.17 1le7 h ALA 38 CO 0.02 -0.82 0.15 0.82 0.00 0.00 0.00 179.25 179.42 1le7 h ILE 39 N -0.51 0.65 0.00 0.00 2.04 -1.93 0.11 117.51 117.87 1le7 h ILE 39 Ca 0.01 -0.10 -0.03 0.00 1.00 0.00 0.00 64.86 65.74 1le7 h ILE 39 Cb 0.50 0.35 -0.00 0.00 -0.74 0.00 0.00 36.82 36.93 1le7 h ILE 39 CO -0.10 0.05 -0.14 -0.78 0.00 0.00 0.00 178.15 177.18 1le7 h ASP 40 N 0.28 0.00 -0.10 1.72 3.58 -1.79 -1.85 116.42 118.26 1le7 h ASP 40 Ca 0.32 0.00 -0.23 0.00 0.42 0.00 0.00 57.03 57.54 1le7 h ASP 40 Cb 0.47 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.53 1le7 h ASP 40 CO -0.39 0.14 -0.82 -0.50 -2.88 0.00 0.00 179.24 174.79 1le7 h TRP 41 N 0.00 1.04 -0.92 0.28 4.06 0.11 -2.38 115.95 118.14 1le7 h TRP 41 Ca -0.00 -0.47 0.01 0.00 2.06 0.00 0.00 58.89 60.48 1le7 h TRP 41 Cb 0.35 -0.15 -0.05 0.00 -1.00 0.00 0.00 29.16 28.32 1le7 h TRP 41 CO 0.00 1.30 0.60 0.00 -3.56 0.00 0.00 178.44 176.79 1le7 h HIS 44 N 0.00 -0.06 -0.06 0.00 6.17 -0.43 -2.59 115.15 118.18 1le7 h HIS 44 Ca 0.00 -0.00 -0.03 0.00 0.71 0.00 0.00 60.37 61.05 1le7 h HIS 44 Cb 0.53 0.02 -0.01 0.00 2.52 0.00 0.00 27.41 30.47 1le7 h HIS 44 CO 0.00 0.59 -0.11 0.78 0.71 0.00 0.00 177.93 179.90 1le7 h GLY 45 N -0.85 0.09 1.37 5.26 0.00 -1.16 -1.83 103.07 105.95 1le7 h GLY 45 Ca -0.01 -0.05 -0.15 0.00 0.00 0.00 0.00 47.33 47.13 1le7 h GLY 45 CO 0.01 0.05 -0.42 0.84 0.00 0.00 0.00 176.54 177.02 1le7 h HIS 46 N 0.09 0.83 -0.59 5.60 6.17 -1.41 -0.58 115.15 125.25 1le7 h HIS 46 Ca 0.02 -0.25 -0.05 0.00 0.71 0.00 0.00 60.37 60.79 1le7 h HIS 46 Cb 0.25 -0.17 -0.02 0.00 2.52 0.00 0.00 27.41 29.98 1le7 h HIS 46 CO 0.00 0.99 0.16 -0.44 0.71 0.00 0.00 177.93 179.36 1le7 h ASP 47 N 0.56 0.88 0.03 3.26 3.45 -0.94 0.17 116.42 123.83 1le7 h ASP 47 Ca 0.04 -0.22 -0.00 0.00 0.43 0.00 0.00 57.03 57.28 1le7 h ASP 47 Cb 0.96 -0.23 0.00 0.00 -0.56 0.00 0.00 39.33 39.50 1le7 h ASP 47 CO 0.09 0.87 -0.01 0.00 -1.57 0.00 0.00 179.24 178.62 1le7 h TYR 50 N -0.03 0.00 0.81 0.00 -1.99 -0.47 -2.33 116.97 112.97 1le7 h TYR 50 Ca 0.12 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.81 1le7 h TYR 50 Cb 0.22 0.00 0.01 0.00 2.00 0.00 0.00 36.73 38.95 1le7 h TYR 50 CO -0.27 0.11 -0.39 1.15 -0.00 0.00 0.00 178.16 178.77 1le7 h THR 51 N 0.00 0.02 -0.56 -2.88 2.02 0.29 -2.55 112.91 109.25 1le7 h THR 51 Ca -0.00 -0.19 0.11 0.00 0.77 0.00 0.00 66.41 67.10 1le7 h THR 51 Cb 0.21 0.02 -0.09 0.00 -1.74 0.00 0.00 68.15 66.55 1le7 h THR 51 CO 0.01 0.00 -0.01 0.03 0.37 0.00 0.00 175.52 175.93 1le7 h ARG 52 N -1.28 0.10 -1.03 6.66 3.08 -1.31 0.48 114.38 121.08 1le7 h ARG 52 Ca -0.11 -0.01 0.26 0.00 0.07 0.00 0.00 59.98 60.19 1le7 h ARG 52 Cb 0.84 -0.02 -0.11 0.00 0.08 0.00 0.00 29.97 30.76 1le7 h ARG 52 CO 0.18 0.07 0.64 0.00 -1.07 0.00 0.00 179.97 179.80 1le7 h ALA 53 N 1.51 2.07 -0.01 0.04 0.00 -1.36 0.38 119.26 121.89 1le7 h ALA 53 Ca 0.29 0.09 -0.19 0.00 0.00 0.00 0.00 54.91 55.09 1le7 h ALA 53 Cb 0.45 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1le7 h ALA 53 CO -0.48 -0.50 -0.84 0.93 0.00 0.00 0.00 179.25 178.36 1le7 h GLU 54 N 0.47 0.24 0.00 0.00 5.08 -0.50 -2.18 114.58 117.69 1le7 h GLU 54 Ca 0.62 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.74 1le7 h GLU 54 Cb 1.41 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.72 1le7 h GLU 54 CO -0.37 0.94 0.00 0.39 -1.00 0.00 0.00 179.01 178.98 1le7 n GLU 55 N -3.71 0.03 -0.39 2.33 1.02 0.13 -1.42 120.64 118.63 1le7 n GLU 55 Ca -0.04 0.30 0.10 0.00 -0.02 0.00 0.00 57.16 57.51 1le7 n GLU 55 Cb 0.78 -1.56 0.30 0.00 -0.02 0.00 0.00 31.44 30.94 1le7 n GLU 55 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1le7 n ALA 56 N -1.54 2.49 -0.98 0.62 0.00 -0.79 -4.93 120.51 115.38 1le7 n ALA 56 Ca 0.03 -1.36 0.00 0.00 0.00 0.00 0.00 53.44 52.11 1le7 n ALA 56 Cb 0.16 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 18.76 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 1.32 0.46 3.88 0.00 0.00 -0.51 -5.00 105.19 105.33 1le7 n GLY 57 Ca 0.23 -0.95 -0.22 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.19 3.38 -0.55 0.00 7.64 -1.26 -4.11 113.62 117.53 1le7 n SER 59 Ca -0.08 -3.21 0.46 0.00 1.01 0.00 0.00 58.87 57.05 1le7 n SER 59 Cb 0.57 -0.83 0.78 0.00 -1.01 0.00 0.00 64.21 63.72 1le7 n SER 59 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 1le7 h PRO 60 N 5.45 0.00 0.01 1.43 0.11 -1.90 -0.42 132.00 136.68 1le7 h PRO 60 Ca 0.16 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.99 1le7 h PRO 60 Cb 0.76 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.82 1le7 h PRO 60 CO 0.76 0.00 -1.54 0.87 -0.21 0.00 0.00 178.00 177.88 1le7 h LYS 61 N 0.00 0.01 0.00 1.05 6.56 -1.93 -3.35 116.57 118.91 1le7 h LYS 61 Ca 0.79 -0.02 -0.32 0.00 -1.06 0.00 0.00 60.65 60.05 1le7 h LYS 61 Cb 3.26 0.01 -0.05 0.00 -0.57 0.00 0.00 32.23 34.88 1le7 h LYS 61 CO -0.01 0.64 -2.07 0.25 -2.06 0.00 0.00 179.45 176.20 1le7 n THR 62 N -3.13 1.06 -1.65 -0.16 -2.24 -0.28 -1.64 114.28 106.23 1le7 n THR 62 Ca -0.13 -0.29 -0.60 0.00 -2.27 0.00 0.00 64.05 60.76 1le7 n THR 62 Cb 1.03 -1.68 -0.08 0.00 -2.10 0.00 0.00 70.33 67.50 1le7 n THR 62 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1le7 n GLU 63 N -3.75 0.50 -2.23 -0.78 1.02 -0.53 -4.48 120.64 110.39 1le7 n GLU 63 Ca -0.37 0.18 -0.27 0.00 -0.02 0.00 0.00 57.16 56.68 1le7 n GLU 63 Cb 0.78 -1.76 0.04 0.00 -0.02 0.00 0.00 31.44 30.49 1le7 n GLU 63 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1le7 s ARG 64 N 1.99 2.72 -0.15 3.49 1.81 -1.26 -0.50 118.95 127.05 1le7 s ARG 64 Ca 0.96 0.04 -0.30 0.00 -1.72 0.00 0.00 55.73 54.71 1le7 s ARG 64 Cb -1.24 -2.19 0.13 0.00 -0.45 0.00 0.00 34.95 31.21 1le7 s ARG 64 CO 0.66 -0.91 1.04 1.52 -0.68 0.00 0.00 175.30 176.92 1le7 s TYR 65 N -3.14 -0.31 0.03 -0.53 -0.85 -1.26 -4.80 117.35 106.49 1le7 s TYR 65 Ca 0.56 0.45 -0.20 0.00 -0.52 0.00 0.00 57.07 57.36 1le7 s TYR 65 Cb -0.11 0.48 -0.06 0.00 0.38 0.00 0.00 41.96 42.65 1le7 s TYR 65 CO 0.46 -0.33 0.58 -1.12 -1.52 0.00 0.00 175.55 173.63 1le7 s SER 66 N -1.43 7.01 0.22 -0.18 0.01 -1.26 -4.98 113.70 113.09 1le7 s SER 66 Ca 0.02 1.20 -0.20 0.00 1.31 0.00 0.00 55.95 58.27 1le7 s SER 66 Cb -0.01 -2.36 0.04 0.00 0.21 0.00 0.00 66.02 63.90 1le7 s SER 66 CO -0.02 0.17 0.62 -1.66 0.41 0.00 0.00 173.24 172.76 1le7 s TRP 67 N -0.55 -0.25 0.02 2.43 1.48 -1.25 -1.70 118.94 119.11 1le7 s TRP 67 Ca 0.30 -0.10 0.01 0.00 -1.06 0.00 0.00 56.10 55.24 1le7 s TRP 67 Cb -0.19 0.56 -0.01 0.00 -1.16 0.00 0.00 33.47 32.67 1le7 s TRP 67 CO 0.18 -1.03 -0.04 -0.65 -4.06 0.00 0.00 176.95 171.36 1le7 s GLN 68 N -3.86 0.29 -0.92 3.25 -0.21 0.05 -4.98 119.66 113.29 1le7 s GLN 68 Ca 0.08 -0.41 -0.08 0.00 0.02 0.00 0.00 55.36 54.97 1le7 s GLN 68 Cb -0.03 -0.09 0.23 0.00 1.00 0.00 0.00 33.01 34.13 1le7 s GLN 68 CO -0.01 0.01 0.85 0.00 -2.12 0.00 0.00 175.29 174.01 1le7 s VAL 70 N -0.70 5.16 -1.39 0.00 0.11 -0.76 -4.25 120.40 118.57 1le7 s VAL 70 Ca 0.24 0.77 -0.03 0.00 -2.93 0.00 0.00 61.98 60.03 1le7 s VAL 70 Cb -0.11 -3.76 0.02 0.00 -1.53 0.00 0.00 36.38 31.00 1le7 s VAL 70 CO -0.09 0.21 0.68 -3.20 -3.33 0.00 0.00 175.10 169.37 1le7 n ASN 71 N 4.74 -1.67 -4.01 3.54 5.15 -1.26 -1.28 115.26 120.47 1le7 n ASN 71 Ca -0.07 -0.87 -0.26 0.00 -0.60 0.00 0.00 54.58 52.77 1le7 n ASN 71 Cb 0.51 -3.70 -0.03 0.00 -0.53 0.00 0.00 39.78 36.03 1le7 n ASN 71 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1le7 n GLN 72 N -4.39 -3.01 -3.73 1.20 6.02 -1.26 -4.96 117.38 107.26 1le7 n GLN 72 Ca -0.23 0.36 -0.13 0.00 -0.01 0.00 0.00 57.00 57.00 1le7 n GLN 72 Cb 0.64 -4.44 -0.14 0.00 1.02 0.00 0.00 30.24 27.33 1le7 n GLN 72 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1le7 s SER 73 N -4.33 -0.14 -0.02 1.08 0.15 -0.40 -4.33 113.70 105.71 1le7 s SER 73 Ca 0.04 0.46 -0.30 0.00 0.70 0.00 0.00 55.95 56.85 1le7 s SER 73 Cb -0.02 0.37 -0.04 0.00 -1.71 0.00 0.00 66.02 64.61 1le7 s SER 73 CO 0.90 -0.17 1.28 -0.69 1.20 0.00 0.00 173.24 175.76 1le7 s VAL 74 N 1.36 4.00 -0.19 4.45 1.01 -1.26 -1.83 120.40 127.94 1le7 s VAL 74 Ca -0.08 1.37 -0.01 0.00 0.00 0.00 0.00 61.98 63.26 1le7 s VAL 74 Cb -0.11 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.40 1le7 s VAL 74 CO -0.08 0.01 -0.13 -0.76 0.00 0.00 0.00 175.10 174.14 1le7 s LEU 75 N 2.12 2.48 -0.04 3.92 1.43 0.16 -4.99 118.68 123.76 1le7 s LEU 75 Ca 0.59 -0.52 -0.12 0.00 -1.03 0.00 0.00 54.13 53.06 1le7 s LEU 75 Cb -0.28 -1.59 -0.05 0.00 0.03 0.00 0.00 46.19 44.30 1le7 s LEU 75 CO 0.25 0.02 0.32 0.00 0.23 0.00 0.00 176.35 177.16 1le7 n GLY 77 N 1.87 2.34 3.75 0.00 0.00 -0.69 -4.88 105.19 107.60 1le7 n GLY 77 Ca -0.16 -2.05 -0.41 0.00 0.00 0.00 0.00 46.02 43.41 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 -2.32 4.48 -0.34 1.61 0.02 -1.26 -3.92 135.00 133.26 1le7 s PRO 78 Ca 0.00 2.00 -0.21 0.00 0.02 0.00 0.00 61.00 62.81 1le7 s PRO 78 Cb 0.00 -3.16 0.00 0.00 0.02 0.00 0.00 34.50 31.36 1le7 s PRO 78 CO 0.00 -0.05 0.68 0.00 -0.33 0.00 0.00 177.00 177.30 1le7 s ALA 79 N -0.74 3.48 -0.11 -1.55 0.00 -1.26 -4.43 121.76 117.14 1le7 s ALA 79 Ca 0.49 -0.72 0.30 0.00 0.00 0.00 0.00 51.96 52.04 1le7 s ALA 79 Cb -0.35 -3.21 1.09 0.00 0.00 0.00 0.00 23.12 20.65 1le7 s ALA 79 CO 0.44 -1.29 1.87 0.93 0.00 0.00 0.00 175.76 177.71 1le7 h GLU 80 N 8.37 0.00 -2.45 0.00 4.39 -1.97 -3.46 114.58 119.45 1le7 h GLU 80 Ca -0.26 0.00 0.09 0.00 0.34 0.00 0.00 59.36 59.53 1le7 h GLU 80 Cb 1.11 0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 29.62 1le7 h GLU 80 CO 0.85 0.00 0.43 0.54 -1.16 0.00 0.00 179.01 179.66 1le7 s ASN 81 N -5.60 -0.38 0.24 1.42 4.22 -1.26 -5.05 114.94 108.54 1le7 s ASN 81 Ca 0.03 -0.07 -0.11 0.00 -2.14 0.00 0.00 52.86 50.56 1le7 s ASN 81 Cb 0.08 0.45 0.34 0.00 1.28 0.00 0.00 41.25 43.40 1le7 s ASN 81 CO 0.56 -0.75 1.59 0.50 -2.04 0.00 0.00 177.10 176.95 1le7 h LYS 82 N 2.00 -0.01 -0.71 3.55 3.64 -2.01 -0.75 116.57 122.28 1le7 h LYS 82 Ca -0.25 0.00 0.15 0.00 -1.27 0.00 0.00 60.65 59.28 1le7 h LYS 82 Cb 1.25 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 32.97 1le7 h LYS 82 CO 0.31 -0.01 0.20 0.00 -2.27 0.00 0.00 179.45 177.68 1le7 h GLN 84 N 0.31 1.04 0.17 0.00 4.20 -1.44 -0.53 115.11 118.85 1le7 h GLN 84 Ca 0.39 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 59.03 1le7 h GLN 84 Cb 0.64 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 28.19 1le7 h GLN 84 CO -0.46 0.69 -0.08 1.49 -0.67 0.00 0.00 178.83 179.79 1le7 h GLU 85 N 1.07 -0.23 0.54 1.46 4.81 -0.80 -2.37 114.58 119.07 1le7 h GLU 85 Ca 0.44 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.66 1le7 h GLU 85 Cb 0.26 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 1le7 h GLU 85 CO -0.20 -0.06 -0.38 -0.07 -0.73 0.00 0.00 179.01 177.57 1le7 h LEU 86 N -0.35 -0.99 -0.77 1.64 4.07 -0.75 -1.86 115.31 116.31 1le7 h LEU 86 Ca -0.02 0.07 0.10 0.00 0.08 0.00 0.00 57.88 58.10 1le7 h LEU 86 Cb 0.27 0.30 -0.07 0.00 1.08 0.00 0.00 40.66 42.24 1le7 h LEU 86 CO 0.04 -0.57 0.41 -0.07 -1.08 0.00 0.00 178.44 177.17 1le7 h LEU 87 N -0.89 0.57 -0.88 1.67 3.38 -1.17 -0.65 115.31 117.34 1le7 h LEU 87 Ca -0.06 0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1le7 h LEU 87 Cb 0.75 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 1le7 h LEU 87 CO 0.03 0.32 -0.03 0.00 0.09 0.00 0.00 178.44 178.86 1le7 h LYS 89 N 0.75 0.22 0.43 0.00 3.64 -0.39 0.94 116.57 122.15 1le7 h LYS 89 Ca 0.14 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 1le7 h LYS 89 Cb 0.49 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.25 1le7 h LYS 89 CO 0.02 0.35 -0.50 0.00 -2.27 0.00 0.00 179.45 177.06 1le7 h ASP 91 N -0.95 0.76 -0.75 0.00 3.32 -1.32 -0.92 116.42 116.57 1le7 h ASP 91 Ca -0.05 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.01 1le7 h ASP 91 Cb 0.84 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 40.24 1le7 h ASP 91 CO -0.11 0.46 0.40 -0.61 -1.72 0.00 0.00 179.24 177.66 1le7 h GLN 92 N 0.88 1.07 -0.27 3.56 4.15 -0.35 -0.86 115.11 123.29 1le7 h GLN 92 Ca 0.39 -0.13 -0.05 0.00 0.77 0.00 0.00 58.65 59.63 1le7 h GLN 92 Cb 0.28 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 27.75 1le7 h GLN 92 CO -0.21 0.80 -0.03 1.49 -1.93 0.00 0.00 178.83 178.95 1le7 h GLU 93 N 1.07 0.50 -0.40 1.69 4.81 0.72 -2.47 114.58 120.50 1le7 h GLU 93 Ca 0.27 -0.18 -0.12 0.00 -0.13 0.00 0.00 59.36 59.20 1le7 h GLU 93 Cb 0.06 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 1le7 h GLU 93 CO -0.04 0.69 -0.24 0.97 -0.73 0.00 0.00 179.01 179.65 1le7 h ILE 94 N 0.27 1.27 -0.17 2.32 2.10 -1.09 -1.07 117.51 121.14 1le7 h ILE 94 Ca 0.07 -1.38 0.04 0.00 1.08 0.00 0.00 64.86 64.68 1le7 h ILE 94 Cb 0.48 1.23 -0.04 0.00 -1.09 0.00 0.00 36.82 37.40 1le7 h ILE 94 CO 0.02 0.46 -0.07 0.00 -1.08 0.00 0.00 178.15 177.48 1le7 h ALA 95 N 1.02 0.08 -0.64 0.18 0.00 -1.09 0.46 119.26 119.27 1le7 h ALA 95 Ca 0.09 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1le7 h ALA 95 Cb 0.77 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 1le7 h ALA 95 CO 0.06 -0.50 0.22 -0.91 0.00 0.00 0.00 179.25 178.12 1le7 h ASN 96 N -0.04 0.92 -0.34 0.00 2.35 -1.33 -1.21 115.58 115.93 1le7 h ASN 96 Ca 0.09 -0.20 -0.00 0.00 -0.55 0.00 0.00 56.30 55.64 1le7 h ASN 96 Cb 0.18 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.29 1le7 h ASN 96 CO -0.20 0.87 0.20 0.00 -1.65 0.00 0.00 177.43 176.65 1le7 h LEU 98 N 0.44 0.84 -0.75 0.00 4.07 0.01 -3.15 115.31 116.76 1le7 h LEU 98 Ca 0.12 -0.35 0.00 0.00 0.08 0.00 0.00 57.88 57.73 1le7 h LEU 98 Cb 0.03 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 41.54 1le7 h LEU 98 CO -0.02 1.09 0.07 0.00 -1.08 0.00 0.00 178.44 178.50 1le7 n ALA 99 N -2.52 0.92 -1.63 1.53 0.00 -0.47 -2.16 120.51 116.18 1le7 n ALA 99 Ca -0.01 0.11 -0.12 0.00 0.00 0.00 0.00 53.44 53.41 1le7 n ALA 99 Cb 0.50 -1.06 0.13 0.00 0.00 0.00 0.00 19.45 19.02 1le7 n ALA 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1le7 n GLN 100 N -1.89 2.42 -4.32 0.00 10.64 -1.19 -4.74 117.38 118.29 1le7 n GLN 100 Ca -0.01 -3.51 -0.17 0.00 -1.83 0.00 0.00 57.00 51.48 1le7 n GLN 100 Cb 0.08 -1.98 -0.10 0.00 -0.86 0.00 0.00 30.24 27.38 1le7 n GLN 100 CO 0.00 0.00 0.00 0.95 -1.83 0.00 0.00 177.06 176.18 1le7 s THR 101 N -3.83 1.35 0.01 -0.39 -4.23 -0.92 -5.07 115.64 102.55 1le7 s THR 101 Ca 0.48 -2.10 -0.00 0.00 -1.18 0.00 0.00 61.69 58.89 1le7 s THR 101 Cb 0.42 -2.14 -0.04 0.00 1.34 0.00 0.00 72.50 72.08 1le7 s THR 101 CO -0.00 -0.52 0.09 -1.61 -0.54 0.00 0.00 174.62 172.04 1le7 s GLU 102 N -3.75 3.07 -0.35 3.99 2.02 -1.26 -5.07 118.70 117.34 1le7 s GLU 102 Ca 0.24 -0.50 -0.22 0.00 0.02 0.00 0.00 54.97 54.51 1le7 s GLU 102 Cb 0.03 -2.86 0.00 0.00 0.10 0.00 0.00 34.13 31.41 1le7 s GLU 102 CO 0.06 0.64 0.71 -0.47 0.02 0.00 0.00 175.26 176.22 1le7 s TYR 103 N -1.23 3.14 -0.46 1.61 6.14 -1.26 -4.81 117.35 120.49 1le7 s TYR 103 Ca 0.24 0.48 -0.21 0.00 0.64 0.00 0.00 57.07 58.23 1le7 s TYR 103 Cb -0.12 -3.24 0.03 0.00 0.42 0.00 0.00 41.96 39.05 1le7 s TYR 103 CO 0.15 -0.65 0.66 -0.80 0.64 0.00 0.00 175.55 175.54 1le7 s ASN 104 N 1.79 6.30 0.43 4.32 0.02 -1.26 -4.94 114.94 121.59 1le7 s ASN 104 Ca 0.28 -0.48 0.12 0.00 -1.02 0.00 0.00 52.86 51.75 1le7 s ASN 104 Cb -0.14 -2.32 0.98 0.00 0.02 0.00 0.00 41.25 39.79 1le7 s ASN 104 CO 0.15 -0.84 2.00 0.25 0.02 0.00 0.00 177.10 178.69 1le7 h LEU 105 N 9.78 0.40 -0.86 0.60 5.85 -1.98 -2.53 115.31 126.56 1le7 h LEU 105 Ca -0.26 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.46 1le7 h LEU 105 Cb 1.09 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.04 1le7 h LEU 105 CO 0.92 0.25 0.00 2.29 -0.34 0.00 0.00 178.44 181.57 1le7 n LYS 106 N -4.47 0.12 0.00 1.25 2.85 -1.26 -1.66 118.16 114.99 1le7 n LYS 106 Ca 0.08 0.51 0.12 0.00 -1.05 0.00 0.00 58.31 57.97 1le7 n LYS 106 Cb 0.28 -1.82 0.18 0.00 -0.65 0.00 0.00 35.03 33.02 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 -2.07 0.00 -2.30 5.58 0.53 -0.95 -4.63 117.16 113.32 1le7 n TYR 107 Ca 0.00 0.00 -0.43 0.00 -1.02 0.00 0.00 57.90 56.46 1le7 n TYR 107 Cb 0.10 -0.05 -0.02 0.00 -1.03 0.00 0.00 39.34 38.34 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 -2.42 4.23 -1.05 7.72 2.96 -0.67 -1.19 118.68 128.26 1le7 s LEU 108 Ca 0.23 1.87 -0.07 0.00 -0.22 0.00 0.00 54.13 55.94 1le7 s LEU 108 Cb 0.19 -3.54 0.01 0.00 0.50 0.00 0.00 46.19 43.35 1le7 s LEU 108 CO 0.52 -0.80 0.92 0.49 -1.32 0.00 0.00 176.35 176.16 1le7 n PHE 109 N 6.62 -2.22 -2.02 5.38 0.99 -0.28 -4.96 117.46 120.97 1le7 n PHE 109 Ca 0.15 0.79 -0.39 0.00 -0.00 0.00 0.00 57.45 57.99 1le7 n PHE 109 Cb 0.44 -4.17 -0.00 0.00 -1.00 0.00 0.00 39.48 34.75 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 -3.25 2.77 -0.36 1.38 6.14 -1.04 -4.91 117.35 118.09 1le7 s TYR 110 Ca 0.43 1.39 -0.28 0.00 0.64 0.00 0.00 57.07 59.24 1le7 s TYR 110 Cb -0.19 -3.70 -0.01 0.00 0.42 0.00 0.00 41.96 38.48 1le7 s TYR 110 CO 0.57 -2.20 1.73 -2.14 0.64 0.00 0.00 175.55 174.15 1le7 s PRO 111 N -2.26 3.35 0.52 4.97 0.02 -1.26 -4.88 135.00 135.47 1le7 s PRO 111 Ca 0.57 1.30 0.22 0.00 0.02 0.00 0.00 61.00 63.11 1le7 s PRO 111 Cb -0.39 -4.17 1.34 0.00 0.02 0.00 0.00 34.50 31.30 1le7 s PRO 111 CO 0.50 -1.84 2.05 -0.56 -0.33 0.00 0.00 177.00 176.82 1le7 h GLN 112 N 12.54 0.02 0.00 5.54 -0.00 -1.91 -0.16 115.11 131.14 1le7 h GLN 112 Ca -0.32 -0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.33 1le7 h GLN 112 Cb 1.16 -0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.63 1le7 h GLN 112 CO 1.05 0.01 0.00 1.97 -0.00 0.00 0.00 178.83 181.86 1le7 n PHE 113 N -4.44 0.00 0.94 0.06 1.16 -1.26 -0.09 117.46 113.84 1le7 n PHE 113 Ca 0.06 0.00 0.12 0.00 -1.87 0.00 0.00 57.45 55.75 1le7 n PHE 113 Cb 0.43 -0.12 0.10 0.00 -1.61 0.00 0.00 39.48 38.28 1le7 n PHE 113 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 1le7 n LEU 114 N -1.12 2.98 -4.62 5.98 4.77 -0.07 -4.91 117.00 120.01 1le7 n LEU 114 Ca 0.06 -1.03 -0.41 0.00 -0.03 0.00 0.00 56.01 54.61 1le7 n LEU 114 Cb 0.05 -0.01 -0.07 0.00 -2.33 0.00 0.00 43.42 41.06 1le7 n LEU 114 CO 0.06 0.51 0.37 0.00 -1.33 0.00 0.00 177.39 177.00 1le7 n GLU 116 N 5.70 0.22 -0.05 0.00 4.71 -1.26 -4.79 120.64 125.17 1le7 n GLU 116 Ca -0.01 0.11 -0.13 0.00 -0.01 0.00 0.00 57.16 57.12 1le7 n GLU 116 Cb 0.49 -1.73 -0.07 0.00 -1.01 0.00 0.00 31.44 29.12 1le7 n GLU 116 CO 0.00 0.00 0.00 -1.35 0.09 0.00 0.00 177.13 175.87 1le7 h PRO 117 N -0.48 0.32 -6.32 3.49 0.11 -1.96 -2.90 132.00 124.27 1le7 h PRO 117 Ca -0.45 -0.16 -0.55 0.00 0.11 0.00 0.00 66.00 64.95 1le7 h PRO 117 Cb 1.35 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.43 1le7 h PRO 117 CO 0.41 0.69 0.53 -0.51 -0.21 0.00 0.00 178.00 178.91 1le7 s ASP 118 N -6.05 7.24 0.03 -2.05 -0.00 -1.26 -4.43 116.67 110.15 1le7 s ASP 118 Ca -0.14 1.64 0.04 0.00 -0.00 0.00 0.00 52.55 54.08 1le7 s ASP 118 Cb 0.05 -2.56 -0.04 0.00 -0.00 0.00 0.00 42.92 40.37 1le7 s ASP 118 CO 0.74 -0.42 -0.04 -0.55 -0.00 0.00 0.00 175.17 174.90 1le7 s SER 119 N 1.13 4.79 1.06 0.27 0.15 -1.26 -3.75 113.70 116.09 1le7 s SER 119 Ca 0.51 -0.15 -0.12 0.00 0.70 0.00 0.00 55.95 56.89 1le7 s SER 119 Cb -0.21 -1.13 0.22 0.00 -1.71 0.00 0.00 66.02 63.19 1le7 s SER 119 CO 0.22 0.25 1.00 -2.65 1.20 0.00 0.00 173.24 173.25 1le7 n PRO 120 N 1.21 -1.54 -2.61 5.44 -0.02 -1.25 -4.93 135.00 131.30 1le7 n PRO 120 Ca -0.14 -0.40 -0.33 0.00 -2.02 0.00 0.00 63.50 60.61 1le7 n PRO 120 Cb 0.52 -2.22 -0.05 0.00 -0.02 0.00 0.00 33.50 31.74 1le7 n PRO 120 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1le7 s LYS 121 N -4.42 4.00 0.62 -0.52 2.20 -1.26 -5.06 119.74 115.30 1le7 s LYS 121 Ca 0.67 1.15 -0.10 0.00 -0.36 0.00 0.00 55.97 57.33 1le7 s LYS 121 Cb -0.24 -2.14 -0.03 0.00 -1.51 0.00 0.00 37.83 33.91 1le7 s LYS 121 CO 0.62 -0.23 1.01 0.00 -0.36 0.00 0.00 175.35 176.39