#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1h n ARG 11 N 0.00 0.84 -0.01 1.61 1.74 -1.26 -3.87 116.66 115.72 3h1h n ARG 11 Ca 0.00 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.07 3h1h n ARG 11 Cb 0.00 -1.40 -0.00 0.00 -1.02 0.00 0.00 32.46 30.04 3h1h n ARG 11 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3h1h h LEU 12 N 0.22 -0.03 0.00 0.55 5.85 -2.06 -3.30 115.31 116.54 3h1h h LEU 12 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3h1h h LEU 12 Cb 0.45 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.48 3h1h h LEU 12 CO 0.00 0.17 0.00 1.15 -0.34 0.00 0.00 178.44 179.42 3h1h n MET 13 N -3.19 0.52 0.00 1.25 0.00 -1.25 -1.26 117.12 113.20 3h1h n MET 13 Ca -0.00 0.02 0.14 0.00 0.00 0.00 0.00 57.70 57.86 3h1h n MET 13 Cb 0.01 -1.50 0.71 0.00 0.00 0.00 0.00 33.22 32.45 3h1h n MET 13 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 3h1h n ASP 14 N -1.05 0.00 -0.12 3.17 -0.08 -1.24 -1.66 116.55 115.57 3h1h n ASP 14 Ca 0.13 -0.04 -0.23 0.00 -1.51 0.00 0.00 54.79 53.14 3h1h n ASP 14 Cb 0.08 -0.32 -0.08 0.00 2.34 0.00 0.00 41.12 43.14 3h1h n ASP 14 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 3h1h n ARG 15 N -1.32 0.56 -0.37 -0.67 1.74 -0.39 -4.22 116.66 111.99 3h1h n ARG 15 Ca 0.13 0.24 0.01 0.00 -0.77 0.00 0.00 57.85 57.45 3h1h n ARG 15 Cb 0.25 -1.45 0.07 0.00 -1.02 0.00 0.00 32.46 30.30 3h1h n ARG 15 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3h1h n ILE 16 N -4.28 -0.49 -0.19 0.55 5.41 -1.16 0.12 119.36 119.31 3h1h n ILE 16 Ca -0.41 2.27 0.00 0.00 1.00 0.00 0.00 62.75 65.61 3h1h n ILE 16 Cb 0.77 -3.03 0.10 0.00 -0.71 0.00 0.00 39.64 36.77 3h1h n ILE 16 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 3h1h h ARG 17 N 0.00 0.27 -0.55 0.38 3.08 -1.54 0.69 114.38 116.71 3h1h h ARG 17 Ca 0.37 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.38 3h1h h ARG 17 Cb 0.62 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.58 3h1h h ARG 17 CO -0.98 0.18 0.23 -0.22 -1.07 0.00 0.00 179.97 178.11 3h1h h LYS 18 N 0.27 0.78 0.38 0.04 3.64 -0.49 0.89 116.57 122.08 3h1h h LYS 18 Ca 0.31 -0.11 -0.02 0.00 -1.27 0.00 0.00 60.65 59.56 3h1h h LYS 18 Cb 0.44 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 3h1h h LYS 18 CO -0.38 0.63 -0.18 2.35 -2.27 0.00 0.00 179.45 179.60 3h1h h TRP 19 N 0.78 -0.47 -0.34 1.91 7.01 0.13 -1.97 115.95 122.99 3h1h h TRP 19 Ca 0.19 -0.01 0.06 0.00 2.11 0.00 0.00 58.89 61.23 3h1h h TRP 19 Cb 0.13 0.16 -0.05 0.00 -2.10 0.00 0.00 29.16 27.30 3h1h h TRP 19 CO 0.01 -0.14 0.04 -0.92 -2.79 0.00 0.00 178.44 174.64 3h1h h TYR 20 N -0.91 0.06 -0.86 2.65 3.20 0.51 0.84 116.97 122.46 3h1h h TYR 20 Ca -0.05 0.02 0.18 0.00 3.14 0.00 0.00 58.73 62.02 3h1h h TYR 20 Cb 0.54 0.03 -0.11 0.00 1.54 0.00 0.00 36.73 38.73 3h1h h TYR 20 CO 0.02 -0.02 0.41 -0.92 -1.64 0.00 0.00 178.16 176.01 3h1h h TYR 21 N 0.15 0.70 0.00 -3.82 3.20 0.81 0.76 116.97 118.76 3h1h h TYR 21 Ca 0.16 0.04 -0.15 0.00 3.14 0.00 0.00 58.73 61.92 3h1h h TYR 21 Cb 0.20 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.28 3h1h h TYR 21 CO -0.21 0.08 -0.73 -0.91 -1.64 0.00 0.00 178.16 174.75 3h1h h ASN 22 N 0.51 0.00 -0.23 -2.11 2.35 -0.41 -3.19 115.58 112.50 3h1h h ASN 22 Ca 0.50 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 56.21 3h1h h ASN 22 Cb 0.82 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.18 3h1h h ASN 22 CO -0.44 0.73 -0.00 0.00 -1.65 0.00 0.00 177.43 176.07 3h1h h ALA 23 N 1.27 0.30 0.02 -0.83 0.00 0.54 -3.17 119.26 117.40 3h1h h ALA 23 Ca -0.01 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.72 3h1h h ALA 23 Cb 1.48 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 19.14 3h1h h ALA 23 CO 0.09 0.03 -0.36 0.00 0.00 0.00 0.00 179.25 179.01 3h1h h ALA 24 N 0.80 -0.57 0.00 0.00 0.00 0.21 -3.47 119.26 116.23 3h1h h ALA 24 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3h1h h ALA 24 Cb 0.40 0.63 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3h1h h ALA 24 CO 0.01 -0.89 0.00 0.41 0.00 0.00 0.00 179.25 178.78 3h1h n GLY 25 N -1.43 0.60 0.08 0.00 0.00 -1.20 -4.93 105.19 98.31 3h1h n GLY 25 Ca -0.06 -0.50 0.12 0.00 0.00 0.00 0.00 46.02 45.59 3h1h n GLY 25 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3h1h n PHE 26 N -2.68 0.61 0.30 1.61 1.16 -1.26 -2.47 117.46 114.73 3h1h n PHE 26 Ca 0.00 0.20 0.14 0.00 -1.87 0.00 0.00 57.45 55.92 3h1h n PHE 26 Cb 0.00 -0.82 0.37 0.00 -1.61 0.00 0.00 39.48 37.42 3h1h n PHE 26 CO 0.00 0.00 0.00 -2.95 -1.87 0.00 0.00 176.76 171.94 3h1h h ASN 27 N 0.00 0.00 0.75 5.98 -1.07 -1.88 -2.75 115.58 116.61 3h1h h ASN 27 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 56.30 56.36 3h1h h ASN 27 Cb 0.54 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 36.79 3h1h h ASN 27 CO 0.00 0.00 -0.03 0.11 0.07 0.00 0.00 177.43 177.58 3h1h h LYS 28 N 0.00 0.00 -0.00 4.14 1.57 -1.82 -0.54 116.57 119.91 3h1h h LYS 28 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3h1h h LYS 28 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.09 3h1h h LYS 28 CO 0.00 0.03 -0.52 0.66 -0.57 0.00 0.00 179.45 179.05 3h1h n TYR 29 N -3.16 0.00 -0.59 -1.35 4.02 -1.06 -1.21 117.16 113.81 3h1h n TYR 29 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 3h1h n TYR 29 Cb 0.26 -0.19 0.00 0.00 -0.02 0.00 0.00 39.34 39.39 3h1h n TYR 29 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3h1h n GLY 30 N 1.47 0.70 3.88 2.72 0.00 -0.22 -4.45 105.19 109.29 3h1h n GLY 30 Ca 0.07 -0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 3h1h n GLY 30 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h1h s LEU 31 N 0.00 3.69 0.23 0.99 1.43 -1.07 -4.92 118.68 119.03 3h1h s LEU 31 Ca 0.00 1.14 0.06 0.00 -1.03 0.00 0.00 54.13 54.30 3h1h s LEU 31 Cb 0.00 -4.06 -0.04 0.00 0.03 0.00 0.00 46.19 42.12 3h1h s LEU 31 CO 0.00 -0.52 0.19 -0.04 0.23 0.00 0.00 176.35 176.21 3h1h s MET 32 N -4.27 2.94 0.11 1.70 -1.94 -1.26 -4.20 119.30 112.38 3h1h s MET 32 Ca 0.51 -1.00 -0.22 0.00 -1.71 0.00 0.00 55.69 53.28 3h1h s MET 32 Cb -0.10 -2.60 -0.05 0.00 2.01 0.00 0.00 34.83 34.09 3h1h s MET 32 CO 0.38 0.42 1.37 -0.09 -0.01 0.00 0.00 175.02 177.09 3h1h h ARG 33 N 1.71 -0.05 -0.13 2.03 2.43 -1.95 0.50 114.38 118.92 3h1h h ARG 33 Ca -0.48 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 58.73 3h1h h ARG 33 Cb 1.23 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.78 3h1h h ARG 33 CO 0.61 -0.03 0.28 -0.44 -1.51 0.00 0.00 179.97 178.88 3h1h h ASP 34 N -0.05 0.00 0.82 -3.80 5.19 -1.95 -0.14 116.42 116.49 3h1h h ASP 34 Ca 0.10 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.49 3h1h h ASP 34 Cb 0.31 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.81 3h1h h ASP 34 CO -0.60 0.00 -0.10 0.44 -3.12 0.00 0.00 179.24 175.86 3h1h h ASP 35 N 0.00 0.00 0.24 6.45 3.32 -0.35 -2.90 116.42 123.18 3h1h h ASP 35 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 3h1h h ASP 35 Cb 0.63 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.18 3h1h h ASP 35 CO -0.00 0.10 -0.35 0.35 -1.72 0.00 0.00 179.24 177.62 3h1h n THR 36 N -3.28 0.00 -1.68 0.35 -2.24 -0.06 -4.94 114.28 102.43 3h1h n THR 36 Ca -0.00 -0.12 -0.44 0.00 -2.27 0.00 0.00 64.05 61.22 3h1h n THR 36 Cb 0.32 0.50 -0.02 0.00 -2.10 0.00 0.00 70.33 69.03 3h1h n THR 36 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3h1h n LEU 37 N -0.74 3.33 -4.68 3.22 4.77 -1.10 -4.91 117.00 116.90 3h1h n LEU 37 Ca 0.10 1.15 -0.43 0.00 -0.03 0.00 0.00 56.01 56.81 3h1h n LEU 37 Cb 0.36 -1.46 -0.02 0.00 -2.33 0.00 0.00 43.42 39.97 3h1h n LEU 37 CO 0.28 -0.41 1.02 -0.47 -1.33 0.00 0.00 177.39 176.48 3h1h s TYR 38 N -0.21 3.03 -0.52 -1.77 5.04 -1.26 -4.91 117.35 116.74 3h1h s TYR 38 Ca 0.66 1.11 -0.25 0.00 -2.44 0.00 0.00 57.07 56.14 3h1h s TYR 38 Cb -0.62 -3.47 -0.24 0.00 0.35 0.00 0.00 41.96 37.99 3h1h s TYR 38 CO 0.51 -1.54 1.81 0.39 -1.34 0.00 0.00 175.55 175.39 3h1h n GLU 39 N 5.79 0.94 -1.11 4.97 1.02 -1.26 -4.81 120.64 126.17 3h1h n GLU 39 Ca 0.12 -1.56 -0.13 0.00 -0.02 0.00 0.00 57.16 55.56 3h1h n GLU 39 Cb 0.45 -2.82 0.09 0.00 -0.02 0.00 0.00 31.44 29.14 3h1h n GLU 39 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3h1h n ASP 40 N 8.56 0.22 -0.25 1.62 5.75 -1.26 -4.72 116.55 126.47 3h1h n ASP 40 Ca 0.48 -1.33 0.06 0.00 -0.01 0.00 0.00 54.79 54.00 3h1h n ASP 40 Cb 0.41 -0.44 0.18 0.00 -1.03 0.00 0.00 41.12 40.24 3h1h n ASP 40 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 3h1h h ASP 41 N -0.69 -0.00 0.34 -1.12 3.45 -2.00 -1.94 116.42 114.46 3h1h h ASP 41 Ca -0.20 0.15 -0.02 0.00 0.43 0.00 0.00 57.03 57.40 3h1h h ASP 41 Cb 0.58 0.20 0.00 0.00 -0.56 0.00 0.00 39.33 39.56 3h1h h ASP 41 CO 0.15 -0.05 -0.16 0.44 -1.57 0.00 0.00 179.24 178.05 3h1h h ASP 42 N 0.26 -0.39 -1.11 6.45 3.45 -1.96 -2.93 116.42 120.20 3h1h h ASP 42 Ca 0.42 -0.16 0.31 0.00 0.43 0.00 0.00 57.03 58.03 3h1h h ASP 42 Cb 0.72 0.10 -0.06 0.00 -0.56 0.00 0.00 39.33 39.53 3h1h h ASP 42 CO -0.52 0.03 0.77 0.58 -1.57 0.00 0.00 179.24 178.54 3h1h h VAL 43 N -0.91 0.45 0.19 -1.35 2.07 -1.84 0.28 116.25 115.15 3h1h h VAL 43 Ca -0.05 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 3h1h h VAL 43 Cb 0.53 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 3h1h h VAL 43 CO 0.08 0.02 -0.09 0.11 0.02 0.00 0.00 177.57 177.71 3h1h h LYS 44 N 0.12 -0.24 -0.53 1.57 1.79 -1.25 -0.35 116.57 117.68 3h1h h LYS 44 Ca 0.56 0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 59.04 3h1h h LYS 44 Cb 1.98 0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 32.66 3h1h h LYS 44 CO -0.10 0.04 0.28 1.49 -1.08 0.00 0.00 179.45 180.09 3h1h h GLU 45 N -0.52 0.74 -0.11 3.15 4.57 -0.58 -2.75 114.58 119.07 3h1h h GLU 45 Ca -0.03 -0.09 0.03 0.00 -1.18 0.00 0.00 59.36 58.09 3h1h h GLU 45 Cb 0.40 -0.14 -0.06 0.00 -0.16 0.00 0.00 28.75 28.78 3h1h h GLU 45 CO 0.04 0.58 -0.52 0.00 -1.18 0.00 0.00 179.01 177.93 3h1h h ALA 46 N 1.12 -0.89 -1.00 2.92 0.00 -0.48 -1.97 119.26 118.95 3h1h h ALA 46 Ca 0.18 -0.06 0.20 0.00 0.00 0.00 0.00 54.91 55.23 3h1h h ALA 46 Cb 0.06 0.99 -0.11 0.00 0.00 0.00 0.00 17.79 18.73 3h1h h ALA 46 CO -0.03 -1.07 0.61 -0.07 0.00 0.00 0.00 179.25 178.70 3h1h h LEU 47 N -0.57 0.75 -2.09 0.00 3.38 -0.83 0.60 115.31 116.54 3h1h h LEU 47 Ca 0.03 0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.11 3h1h h LEU 47 Cb 0.66 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 3h1h h LEU 47 CO -0.41 0.25 0.05 0.11 0.09 0.00 0.00 178.44 178.53 3h1h h LYS 48 N 0.73 0.00 0.00 1.13 1.57 -1.08 -1.85 116.57 117.07 3h1h h LYS 48 Ca 0.58 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 59.29 3h1h h LYS 48 Cb 0.95 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.25 3h1h h LYS 48 CO -0.38 0.00 -0.37 0.00 -0.57 0.00 0.00 179.45 178.14 3h1h h ARG 49 N 0.00 0.00 -6.61 3.15 3.08 -0.68 -3.47 114.38 109.85 3h1h h ARG 49 Ca 0.03 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.49 3h1h h ARG 49 Cb 0.12 0.00 0.14 0.00 0.08 0.00 0.00 29.97 30.31 3h1h h ARG 49 CO -0.00 0.32 0.05 1.28 -1.07 0.00 0.00 179.97 180.55 3h1h n LEU 50 N -3.17 2.26 -4.77 3.04 4.77 -0.70 -4.91 117.00 113.54 3h1h n LEU 50 Ca 0.02 0.97 -0.34 0.00 -0.03 0.00 0.00 56.01 56.63 3h1h n LEU 50 Cb 0.67 -1.31 0.02 0.00 -2.33 0.00 0.00 43.42 40.47 3h1h n LEU 50 CO 0.38 -1.82 0.78 -2.84 -1.33 0.00 0.00 177.39 172.56 3h1h s PRO 51 N -2.05 3.09 0.16 3.23 0.02 -1.26 -4.78 135.00 133.41 3h1h s PRO 51 Ca 0.65 1.57 -0.25 0.00 0.02 0.00 0.00 61.00 62.99 3h1h s PRO 51 Cb -0.54 -1.97 0.04 0.00 0.02 0.00 0.00 34.50 32.04 3h1h s PRO 51 CO 0.56 -1.06 1.58 1.49 -0.33 0.00 0.00 177.00 179.24 3h1h h GLU 52 N 0.73 -0.27 -0.90 5.54 4.81 -1.96 -1.87 114.58 120.66 3h1h h GLU 52 Ca -0.49 0.02 0.19 0.00 -0.13 0.00 0.00 59.36 58.95 3h1h h GLU 52 Cb 1.26 0.06 -0.11 0.00 0.63 0.00 0.00 28.75 30.59 3h1h h GLU 52 CO 0.55 -0.18 0.45 0.38 -0.73 0.00 0.00 179.01 179.48 3h1h h ASP 53 N -0.28 0.47 -0.28 1.04 3.04 -2.00 0.33 116.42 118.74 3h1h h ASP 53 Ca 0.16 0.13 -0.18 0.00 -3.24 0.00 0.00 57.03 53.90 3h1h h ASP 53 Cb 0.57 0.07 -0.00 0.00 -1.04 0.00 0.00 39.33 38.92 3h1h h ASP 53 CO -0.58 0.11 -0.51 -0.07 -2.04 0.00 0.00 179.24 176.15 3h1h h LEU 54 N 0.52 0.96 0.12 0.15 3.38 -1.77 -2.75 115.31 115.91 3h1h h LEU 54 Ca 0.54 -0.49 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3h1h h LEU 54 Cb 0.92 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.40 3h1h h LEU 54 CO -0.45 1.29 -0.06 0.22 0.09 0.00 0.00 178.44 179.53 3h1h h TYR 55 N 0.68 -0.15 -0.49 1.13 3.20 -0.36 -1.61 116.97 119.37 3h1h h TYR 55 Ca 0.03 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 3h1h h TYR 55 Cb 1.11 0.05 -0.02 0.00 1.54 0.00 0.00 36.73 39.40 3h1h h TYR 55 CO 0.07 -0.09 0.26 -0.91 -1.64 0.00 0.00 178.16 175.85 3h1h h ASN 56 N -0.16 0.60 0.11 -2.11 2.35 -1.03 -1.28 115.58 114.07 3h1h h ASN 56 Ca -0.02 -0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.69 3h1h h ASN 56 Cb 0.12 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.34 3h1h h ASN 56 CO 0.02 0.49 -0.05 -0.33 -1.65 0.00 0.00 177.43 175.91 3h1h h GLU 57 N 0.68 -0.15 -0.81 0.81 5.08 -1.20 -1.77 114.58 117.22 3h1h h GLU 57 Ca 0.17 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.62 3h1h h GLU 57 Cb 0.03 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.25 3h1h h GLU 57 CO -0.03 0.13 0.48 -0.09 -1.00 0.00 0.00 179.01 178.49 3h1h h ARG 58 N -0.41 0.81 0.06 2.33 2.43 -1.09 0.63 114.38 119.13 3h1h h ARG 58 Ca -0.02 -0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.13 3h1h h ARG 58 Cb 0.34 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.68 3h1h h ARG 58 CO 0.03 0.53 -0.19 1.98 -1.51 0.00 0.00 179.97 180.81 3h1h h MET 59 N 0.83 -0.33 -0.39 0.20 4.05 -1.04 0.33 114.93 118.58 3h1h h MET 59 Ca 0.38 0.02 0.04 0.00 -0.28 0.00 0.00 59.70 59.85 3h1h h MET 59 Cb 0.28 0.07 -0.04 0.00 -0.80 0.00 0.00 31.60 31.12 3h1h h MET 59 CO -0.22 -0.22 0.18 0.35 0.23 0.00 0.00 176.91 177.23 3h1h h PHE 60 N -0.34 0.33 0.12 1.39 3.57 -0.51 0.15 116.94 121.65 3h1h h PHE 60 Ca 0.04 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.57 3h1h h PHE 60 Cb 0.38 -0.09 -0.05 0.00 2.79 0.00 0.00 35.95 38.99 3h1h h PHE 60 CO -0.21 0.16 -0.50 0.00 -2.23 0.00 0.00 178.31 175.53 3h1h h ARG 61 N 0.37 -0.71 -0.58 1.11 3.08 -0.25 0.38 114.38 117.77 3h1h h ARG 61 Ca 0.17 0.05 0.06 0.00 0.07 0.00 0.00 59.98 60.34 3h1h h ARG 61 Cb 0.11 0.16 -0.06 0.00 0.08 0.00 0.00 29.97 30.26 3h1h h ARG 61 CO -0.14 -0.47 0.28 0.82 -1.07 0.00 0.00 179.97 179.38 3h1h h ILE 62 N -0.74 0.90 -0.15 2.04 2.04 -0.03 0.29 117.51 121.86 3h1h h ILE 62 Ca 0.00 -0.18 -0.06 0.00 1.00 0.00 0.00 64.86 65.63 3h1h h ILE 62 Cb 0.75 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 3h1h h ILE 62 CO -0.28 0.09 -0.17 0.50 0.00 0.00 0.00 178.15 178.29 3h1h h LYS 63 N 0.52 0.25 -0.38 2.37 3.64 -0.25 -1.80 116.57 120.91 3h1h h LYS 63 Ca 0.27 -0.07 -0.16 0.00 -1.27 0.00 0.00 60.65 59.43 3h1h h LYS 63 Cb 0.23 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 3h1h h LYS 63 CO -0.21 0.43 -0.38 -0.09 -2.27 0.00 0.00 179.45 176.92 3h1h h ARG 64 N 0.23 0.93 -0.45 1.90 2.43 0.11 -2.10 114.38 117.43 3h1h h ARG 64 Ca 0.04 -0.49 -0.01 0.00 -0.81 0.00 0.00 59.98 58.72 3h1h h ARG 64 Cb 0.45 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.99 3h1h h ARG 64 CO 0.03 1.14 0.25 0.00 -1.51 0.00 0.00 179.97 179.88 3h1h h ALA 65 N 0.80 0.58 -0.51 2.80 0.00 -0.60 -1.70 119.26 120.63 3h1h h ALA 65 Ca 0.06 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.91 3h1h h ALA 65 Cb 0.97 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 3h1h h ALA 65 CO 0.09 0.10 0.31 -0.07 0.00 0.00 0.00 179.25 179.68 3h1h h LEU 66 N 0.59 0.50 -1.38 0.00 3.38 -1.22 -0.04 115.31 117.14 3h1h h LEU 66 Ca 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 3h1h h LEU 66 Cb 0.05 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 3h1h h LEU 66 CO -0.03 0.35 0.28 -0.78 0.09 0.00 0.00 178.44 178.36 3h1h h ASP 67 N 0.61 0.62 0.11 -0.43 1.82 -1.02 0.28 116.42 118.42 3h1h h ASP 67 Ca 0.20 -0.04 -0.01 0.00 -0.39 0.00 0.00 57.03 56.80 3h1h h ASP 67 Cb 0.01 -0.16 0.00 0.00 0.68 0.00 0.00 39.33 39.86 3h1h h ASP 67 CO -0.09 0.50 -0.05 -0.07 -1.61 0.00 0.00 179.24 177.92 3h1h h LEU 68 N 0.71 -0.12 -0.75 2.28 3.38 -0.37 -2.01 115.31 118.42 3h1h h LEU 68 Ca 0.18 -0.26 0.13 0.00 0.09 0.00 0.00 57.88 58.02 3h1h h LEU 68 Cb 0.02 0.03 -0.09 0.00 0.09 0.00 0.00 40.66 40.71 3h1h h LEU 68 CO -0.03 0.20 0.33 -1.28 0.09 0.00 0.00 178.44 177.75 3h1h h SER 69 N -0.46 0.36 0.53 -0.43 0.87 -0.26 0.64 113.55 114.80 3h1h h SER 69 Ca -0.02 0.09 -0.05 0.00 -1.23 0.00 0.00 61.79 60.59 3h1h h SER 69 Cb 0.38 0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.38 3h1h h SER 69 CO 0.02 0.16 -0.25 0.17 -0.53 0.00 0.00 176.83 176.40 3h1h h LEU 70 N 0.50 0.00 0.00 2.23 8.10 -0.90 -2.66 115.31 122.58 3h1h h LEU 70 Ca 0.40 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.39 3h1h h LEU 70 Cb 0.56 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.78 3h1h h LEU 70 CO -0.36 0.25 -0.84 0.11 -4.11 0.00 0.00 178.44 173.48 3h1h h LYS 71 N 0.00 0.00 -4.16 0.17 1.57 0.13 -3.48 116.57 110.79 3h1h h LYS 71 Ca -0.00 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.58 3h1h h LYS 71 Cb 0.58 0.00 0.10 0.00 0.08 0.00 0.00 32.23 32.99 3h1h h LYS 71 CO 0.03 0.00 -0.46 0.72 -0.57 0.00 0.00 179.45 179.18 3h1h n HIS 72 N -2.70 -1.35 -4.17 -1.35 8.25 0.19 -5.04 115.22 109.05 3h1h n HIS 72 Ca 0.01 0.57 -0.11 0.00 -0.26 0.00 0.00 57.72 57.93 3h1h n HIS 72 Cb 0.54 -3.81 -0.04 0.00 1.12 0.00 0.00 29.99 27.80 3h1h n HIS 72 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3h1h n ARG 73 N -2.91 0.33 -3.97 -0.41 5.12 -1.03 -5.04 116.66 108.75 3h1h n ARG 73 Ca -0.16 -1.78 -0.11 0.00 -1.93 0.00 0.00 57.85 53.87 3h1h n ARG 73 Cb 0.60 1.36 -0.03 0.00 -1.16 0.00 0.00 32.46 33.23 3h1h n ARG 73 CO 0.00 0.00 0.00 0.96 -1.93 0.00 0.00 177.63 176.66 3h1h s ILE 74 N -2.64 0.00 0.48 0.55 -4.36 -1.26 -4.48 121.20 109.48 3h1h s ILE 74 Ca 0.19 -1.34 -0.19 0.00 -0.26 0.00 0.00 60.65 59.05 3h1h s ILE 74 Cb 0.01 -2.51 -0.09 0.00 1.25 0.00 0.00 42.46 41.12 3h1h s ILE 74 CO 0.13 0.00 0.99 -0.76 0.24 0.00 0.00 174.94 175.54 3h1h s LEU 75 N -3.10 3.81 0.42 0.37 1.43 -0.35 -4.99 118.68 116.28 3h1h s LEU 75 Ca 0.23 1.74 -0.26 0.00 -1.03 0.00 0.00 54.13 54.81 3h1h s LEU 75 Cb -0.02 -4.54 -0.09 0.00 0.03 0.00 0.00 46.19 41.57 3h1h s LEU 75 CO 0.13 -0.59 1.36 -2.84 0.23 0.00 0.00 176.35 174.64 3h1h s PRO 76 N -3.45 3.87 0.36 1.29 0.02 -1.26 -4.82 135.00 131.01 3h1h s PRO 76 Ca 0.63 2.27 0.25 0.00 0.02 0.00 0.00 61.00 64.18 3h1h s PRO 76 Cb -0.12 -2.73 1.25 0.00 0.02 0.00 0.00 34.50 32.92 3h1h s PRO 76 CO 0.21 -0.62 1.33 1.17 -0.33 0.00 0.00 177.00 178.76 3h1h n LYS 77 N 0.02 -0.04 -0.12 5.54 4.81 -1.26 0.02 118.16 127.14 3h1h n LYS 77 Ca 0.04 1.09 -0.05 0.00 -0.87 0.00 0.00 58.31 58.52 3h1h n LYS 77 Cb 0.43 -2.11 0.03 0.00 0.02 0.00 0.00 35.03 33.39 3h1h n LYS 77 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 3h1h h GLU 78 N 0.00 0.26 0.00 1.64 3.07 -2.03 -2.79 114.58 114.73 3h1h h GLU 78 Ca 0.75 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.59 3h1h h GLU 78 Cb 2.31 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 30.16 3h1h h GLU 78 CO -0.46 0.17 0.00 1.04 -1.40 0.00 0.00 179.01 178.36 3h1h n GLN 79 N -5.04 0.36 -1.92 2.33 6.02 0.10 -4.89 117.38 114.34 3h1h n GLN 79 Ca 0.02 0.06 -0.38 0.00 -0.01 0.00 0.00 57.00 56.69 3h1h n GLN 79 Cb 0.15 -1.50 0.02 0.00 1.02 0.00 0.00 30.24 29.94 3h1h n GLN 79 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 3h1h s TRP 80 N -2.53 2.48 -0.02 1.08 0.52 -1.06 -4.79 118.94 114.62 3h1h s TRP 80 Ca 0.23 1.40 -0.30 0.00 0.02 0.00 0.00 56.10 57.45 3h1h s TRP 80 Cb 0.16 -3.71 -0.04 0.00 -1.15 0.00 0.00 33.47 28.73 3h1h s TRP 80 CO 0.35 -2.52 1.27 0.08 0.02 0.00 0.00 176.95 176.15 3h1h s VAL 81 N -1.34 4.03 -0.12 4.03 1.01 -1.17 -4.99 120.40 121.85 3h1h s VAL 81 Ca 0.67 1.39 -0.24 0.00 0.00 0.00 0.00 61.98 63.80 3h1h s VAL 81 Cb -0.38 -3.89 -0.03 0.00 0.00 0.00 0.00 36.38 32.08 3h1h s VAL 81 CO 0.46 0.01 0.76 -0.54 0.00 0.00 0.00 175.10 175.79 3h1h s LYS 82 N 2.12 4.37 0.15 2.72 1.02 -1.26 -4.85 119.74 124.00 3h1h s LYS 82 Ca 0.59 0.93 -0.04 0.00 0.02 0.00 0.00 55.97 57.47 3h1h s LYS 82 Cb -0.28 -3.51 0.24 0.00 -0.52 0.00 0.00 37.83 33.76 3h1h s LYS 82 CO 0.24 -0.12 0.83 0.98 -0.92 0.00 0.00 175.35 176.36 3h1h n TYR 83 N 4.47 0.18 0.53 3.18 9.36 -1.26 0.16 117.16 133.78 3h1h n TYR 83 Ca 0.01 0.65 0.12 0.00 3.32 0.00 0.00 57.90 62.00 3h1h n TYR 83 Cb 0.50 -0.80 0.45 0.00 -0.63 0.00 0.00 39.34 38.86 3h1h n TYR 83 CO 0.00 0.00 0.00 -0.85 0.22 0.00 0.00 176.86 176.23 3h1h n GLU 84 N -4.86 0.19 -0.25 2.98 0.00 -1.26 -3.08 120.64 114.36 3h1h n GLU 84 Ca 0.08 0.31 0.08 0.00 0.00 0.00 0.00 57.16 57.63 3h1h n GLU 84 Cb 0.26 -1.80 0.21 0.00 0.00 0.00 0.00 31.44 30.12 3h1h n GLU 84 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3h1h n GLU 85 N -2.15 2.86 -2.40 3.44 1.02 0.41 -4.96 120.64 118.85 3h1h n GLU 85 Ca 0.04 -2.28 -0.43 0.00 -0.02 0.00 0.00 57.16 54.47 3h1h n GLU 85 Cb 0.31 -1.39 -0.02 0.00 -0.02 0.00 0.00 31.44 30.32 3h1h n GLU 85 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3h1h s ASP 86 N -1.02 6.85 -0.25 1.62 -1.08 -1.05 -4.86 116.67 116.89 3h1h s ASP 86 Ca 0.32 1.59 -0.27 0.00 -0.52 0.00 0.00 52.55 53.67 3h1h s ASP 86 Cb 0.17 -2.54 0.01 0.00 -1.46 0.00 0.00 42.92 39.10 3h1h s ASP 86 CO 0.21 -0.86 0.96 -0.54 0.52 0.00 0.00 175.17 175.46 3h1h s LYS 87 N 3.72 4.19 -1.33 4.34 -0.14 -1.26 -4.95 119.74 124.31 3h1h s LYS 87 Ca 0.56 1.13 -0.06 0.00 -1.36 0.00 0.00 55.97 56.24 3h1h s LYS 87 Cb -0.21 -3.66 0.12 0.00 -1.68 0.00 0.00 37.83 32.40 3h1h s LYS 87 CO 0.17 -0.64 2.33 -0.35 -0.76 0.00 0.00 175.35 176.11 3h1h n PRO 88 N 6.29 4.43 -0.02 -1.68 -0.04 -1.26 -4.65 135.00 138.07 3h1h n PRO 88 Ca 0.09 -3.43 0.11 0.00 -0.04 0.00 0.00 63.50 60.24 3h1h n PRO 88 Cb 0.47 -2.68 0.53 0.00 -0.04 0.00 0.00 33.50 31.78 3h1h n PRO 88 CO 0.00 0.00 0.00 0.10 -0.04 0.00 0.00 175.50 175.56 3h1h h TYR 89 N 4.78 0.33 0.04 0.54 -0.00 -1.99 -3.25 116.97 117.43 3h1h h TYR 89 Ca 0.66 0.01 -0.37 0.00 0.00 0.00 0.00 58.73 59.03 3h1h h TYR 89 Cb 0.35 -0.11 -0.05 0.00 0.00 0.00 0.00 36.73 36.92 3h1h h TYR 89 CO 1.56 0.17 -2.26 -0.11 -0.00 0.00 0.00 178.16 177.53 3h1h n LEU 90 N -4.47 2.47 -0.19 0.10 7.94 -1.26 -4.63 117.00 116.96 3h1h n LEU 90 Ca 0.07 0.03 0.04 0.00 -1.11 0.00 0.00 56.01 55.04 3h1h n LEU 90 Cb 0.33 -0.79 0.09 0.00 0.53 0.00 0.00 43.42 43.57 3h1h n LEU 90 CO 0.35 0.84 0.37 1.21 -1.11 0.00 0.00 177.39 179.04 3h1h n GLU 91 N -3.28 -0.05 0.10 1.96 2.13 -1.23 -0.34 120.64 119.93 3h1h n GLU 91 Ca -0.38 0.84 -0.12 0.00 0.66 0.00 0.00 57.16 58.15 3h1h n GLU 91 Cb 1.03 -1.26 -0.06 0.00 0.27 0.00 0.00 31.44 31.41 3h1h n GLU 91 CO 0.00 0.00 0.00 -1.35 -0.41 0.00 0.00 177.13 175.37 3h1h h PRO 92 N 0.00 -0.24 0.51 5.31 0.11 -1.82 -0.68 132.00 135.19 3h1h h PRO 92 Ca 0.27 0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.38 3h1h h PRO 92 Cb 0.44 0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.60 3h1h h PRO 92 CO -0.55 -0.16 -0.34 1.88 -0.21 0.00 0.00 178.00 178.61 3h1h h TYR 93 N -0.25 -0.91 -1.01 0.65 -1.99 -0.98 -2.46 116.97 110.02 3h1h h TYR 93 Ca 0.01 -0.01 0.24 0.00 2.00 0.00 0.00 58.73 60.98 3h1h h TYR 93 Cb 0.25 0.33 -0.10 0.00 2.00 0.00 0.00 36.73 39.21 3h1h h TYR 93 CO -0.13 -0.52 0.64 1.25 -0.00 0.00 0.00 178.16 179.41 3h1h h LEU 94 N -0.83 0.52 -0.52 3.88 5.85 -1.17 0.02 115.31 123.07 3h1h h LEU 94 Ca -0.06 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 3h1h h LEU 94 Cb 0.68 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 3h1h h LEU 94 CO 0.04 0.13 0.28 0.11 -0.34 0.00 0.00 178.44 178.66 3h1h h LYS 95 N 0.47 0.73 -0.30 1.25 1.57 -0.66 -2.08 116.57 117.56 3h1h h LYS 95 Ca 0.58 -0.09 -0.16 0.00 -1.87 0.00 0.00 60.65 59.12 3h1h h LYS 95 Cb 1.34 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.50 3h1h h LYS 95 CO -0.32 0.57 -0.44 1.49 -0.57 0.00 0.00 179.45 180.18 3h1h h GLU 96 N 0.69 0.76 -0.97 3.15 4.57 -0.76 -1.96 114.58 120.06 3h1h h GLU 96 Ca 0.18 -0.42 0.08 0.00 -1.18 0.00 0.00 59.36 58.01 3h1h h GLU 96 Cb 0.06 0.03 -0.07 0.00 -0.16 0.00 0.00 28.75 28.61 3h1h h GLU 96 CO -0.03 1.05 0.62 0.28 -1.18 0.00 0.00 179.01 179.75 3h1h h VAL 97 N 0.61 1.04 0.02 0.32 2.07 -0.94 0.04 116.25 119.41 3h1h h VAL 97 Ca 0.04 -0.38 -0.24 0.00 0.82 0.00 0.00 66.70 66.95 3h1h h VAL 97 Cb 1.01 -0.15 0.01 0.00 -1.52 0.00 0.00 31.29 30.63 3h1h h VAL 97 CO 0.10 0.20 -0.99 0.40 0.02 0.00 0.00 177.57 177.29 3h1h h ILE 98 N 1.10 1.39 -0.09 4.57 2.04 -1.25 -2.64 117.51 122.62 3h1h h ILE 98 Ca 0.44 -2.49 -0.00 0.00 1.00 0.00 0.00 64.86 63.81 3h1h h ILE 98 Cb 0.24 2.48 -0.00 0.00 -0.74 0.00 0.00 36.82 38.79 3h1h h ILE 98 CO -0.19 0.74 0.06 0.03 0.00 0.00 0.00 178.15 178.79 3h1h h ARG 99 N 0.23 0.12 -0.31 2.37 3.08 -0.57 -0.59 114.38 118.72 3h1h h ARG 99 Ca -0.09 -0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.01 3h1h h ARG 99 Cb 1.64 -0.03 -0.07 0.00 0.08 0.00 0.00 29.97 31.59 3h1h h ARG 99 CO 0.17 0.12 -0.16 0.93 -1.07 0.00 0.00 179.97 179.96 3h1h h GLU 100 N 0.10 -0.12 0.59 0.04 5.08 -1.06 -0.07 114.58 119.14 3h1h h GLU 100 Ca 0.03 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 3h1h h GLU 100 Cb 0.02 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 3h1h h GLU 100 CO -0.01 -0.08 -0.45 -0.09 -1.00 0.00 0.00 179.01 177.38 3h1h h ARG 101 N -0.12 -0.97 -1.12 2.33 2.43 -1.19 -1.42 114.38 114.32 3h1h h ARG 101 Ca 0.16 0.07 0.31 0.00 -0.81 0.00 0.00 59.98 59.71 3h1h h ARG 101 Cb 0.37 0.22 -0.08 0.00 -0.42 0.00 0.00 29.97 30.06 3h1h h ARG 101 CO -0.38 -0.65 0.75 -0.07 -1.51 0.00 0.00 179.97 178.11 3h1h h LEU 102 N -1.01 0.27 0.76 3.80 3.38 -0.75 0.44 115.31 122.21 3h1h h LEU 102 Ca -0.08 0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 3h1h h LEU 102 Cb 0.84 0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.61 3h1h h LEU 102 CO 0.02 0.03 -0.37 -0.08 0.09 0.00 0.00 178.44 178.13 3h1h h GLU 103 N 0.22 -0.98 -0.09 1.13 4.81 -0.18 -0.81 114.58 118.69 3h1h h GLU 103 Ca 0.61 0.07 0.04 0.00 -0.13 0.00 0.00 59.36 59.94 3h1h h GLU 103 Cb 1.89 0.22 -0.05 0.00 0.63 0.00 0.00 28.75 31.44 3h1h h GLU 103 CO -0.20 -0.64 -0.21 0.00 -0.73 0.00 0.00 179.01 177.22 3h1h h ARG 104 N -1.18 -0.28 -0.53 1.92 3.08 0.32 0.24 114.38 117.94 3h1h h ARG 104 Ca -0.10 0.02 0.11 0.00 0.07 0.00 0.00 59.98 60.07 3h1h h ARG 104 Cb 0.80 0.06 -0.10 0.00 0.08 0.00 0.00 29.97 30.82 3h1h h ARG 104 CO 0.17 -0.19 -0.09 0.93 -1.07 0.00 0.00 179.97 179.72 3h1h h GLU 105 N -0.30 0.03 -0.43 0.04 5.08 -0.28 0.43 114.58 119.17 3h1h h GLU 105 Ca 0.09 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.41 3h1h h GLU 105 Cb 0.42 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 3h1h h GLU 105 CO -0.26 0.02 0.14 0.00 -1.00 0.00 0.00 179.01 177.92 3h1h h ALA 106 N 1.52 0.56 -0.54 3.43 0.00 -0.28 -3.17 119.26 120.78 3h1h h ALA 106 Ca 0.26 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3h1h h ALA 106 Cb 0.41 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3h1h h ALA 106 CO -0.52 0.19 0.21 2.35 0.00 0.00 0.00 179.25 181.49 3h1h h TRP 107 N 0.55 0.82 0.00 0.00 2.91 0.32 -2.76 115.95 117.78 3h1h h TRP 107 Ca 0.14 -0.06 -0.01 0.00 1.13 0.00 0.00 58.89 60.09 3h1h h TRP 107 Cb 0.24 -0.25 -0.00 0.00 -0.51 0.00 0.00 29.16 28.64 3h1h h TRP 107 CO 0.01 0.67 -0.04 -0.91 -1.03 0.00 0.00 178.44 177.14 3h1h h ASN 108 N 0.73 0.00 -0.07 2.65 2.35 -0.92 -1.63 115.58 118.68 3h1h h ASN 108 Ca 0.18 0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 55.69 3h1h h ASN 108 Cb 0.20 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.59 3h1h h ASN 108 CO -0.01 0.04 -0.88 0.11 -1.65 0.00 0.00 177.43 175.03 3h1h h LYS 109 N 0.00 0.75 0.00 0.81 1.57 -1.48 -3.52 116.57 114.70 3h1h h LYS 109 Ca -0.00 -0.68 0.00 0.00 -1.87 0.00 0.00 60.65 58.10 3h1h h LYS 109 Cb 0.11 0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.59 3h1h h LYS 109 CO 0.00 1.28 0.00 1.17 -0.57 0.00 0.00 179.45 181.33