#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1i n ARG 11 N 0.00 0.29 -0.22 1.61 1.74 -1.26 -4.13 116.66 114.69 3h1i n ARG 11 Ca 0.00 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 57.02 3h1i n ARG 11 Cb 0.00 -1.47 -0.05 0.00 -1.02 0.00 0.00 32.46 29.91 3h1i n ARG 11 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3h1i n LEU 12 N -0.97 -0.56 -0.05 0.55 7.94 -1.26 0.10 117.00 122.76 3h1i n LEU 12 Ca 0.07 1.10 -0.08 0.00 -1.11 0.00 0.00 56.01 55.99 3h1i n LEU 12 Cb 0.03 -0.21 -0.02 0.00 0.53 0.00 0.00 43.42 43.76 3h1i n LEU 12 CO 0.05 -0.84 0.80 0.24 -1.11 0.00 0.00 177.39 176.52 3h1i h MET 13 N 0.00 -0.05 0.31 1.96 2.86 -2.00 0.30 114.93 118.31 3h1i h MET 13 Ca 0.08 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.72 3h1i h MET 13 Cb 0.21 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 3h1i h MET 13 CO -0.49 -0.04 -0.23 0.22 1.06 0.00 0.00 176.91 177.43 3h1i h ASP 14 N -0.06 -0.58 -0.85 1.22 1.82 -0.44 -0.83 116.42 116.71 3h1i h ASP 14 Ca 0.12 0.04 0.25 0.00 -0.39 0.00 0.00 57.03 57.04 3h1i h ASP 14 Cb 0.23 0.18 -0.03 0.00 0.68 0.00 0.00 39.33 40.39 3h1i h ASP 14 CO -0.26 -0.35 0.67 0.03 -1.61 0.00 0.00 179.24 177.72 3h1i h ARG 15 N -0.54 0.00 0.03 0.28 3.08 0.11 -1.37 114.38 115.97 3h1i h ARG 15 Ca -0.02 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 3h1i h ARG 15 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.51 3h1i h ARG 15 CO 0.00 0.00 -0.01 0.82 -1.07 0.00 0.00 179.97 179.71 3h1i h ILE 16 N 0.00 0.26 -0.58 2.04 2.04 0.02 -2.85 117.51 118.44 3h1i h ILE 16 Ca 0.40 -1.16 0.11 0.00 1.00 0.00 0.00 64.86 65.22 3h1i h ILE 16 Cb 1.73 0.49 -0.11 0.00 -0.74 0.00 0.00 36.82 38.18 3h1i h ILE 16 CO -0.00 0.09 -0.22 0.03 0.00 0.00 0.00 178.15 178.04 3h1i h ARG 17 N -1.01 -0.07 -0.64 2.37 3.08 -0.83 1.62 114.38 118.91 3h1i h ARG 17 Ca -0.00 0.01 0.18 0.00 0.07 0.00 0.00 59.98 60.24 3h1i h ARG 17 Cb 0.17 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.22 3h1i h ARG 17 CO 0.01 -0.05 0.48 -0.22 -1.07 0.00 0.00 179.97 179.12 3h1i h LYS 18 N -0.08 0.00 0.00 0.04 3.64 -1.38 0.55 116.57 119.34 3h1i h LYS 18 Ca 0.27 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 3h1i h LYS 18 Cb 0.49 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 3h1i h LYS 18 CO -0.64 0.00 0.00 1.87 -2.27 0.00 0.00 179.45 178.41 3h1i n TRP 19 N -4.23 0.00 -0.40 1.91 -0.00 0.54 -2.94 117.44 112.31 3h1i n TRP 19 Ca 0.12 0.00 0.35 0.00 -0.00 0.00 0.00 57.50 57.97 3h1i n TRP 19 Cb 0.73 -0.34 0.59 0.00 -0.00 0.00 0.00 31.31 32.30 3h1i n TRP 19 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 177.69 178.67 3h1i n TYR 20 N -1.51 0.67 0.23 5.87 9.36 -0.19 0.21 117.16 131.81 3h1i n TYR 20 Ca 0.00 0.68 -0.15 0.00 3.32 0.00 0.00 57.90 61.74 3h1i n TYR 20 Cb 0.00 -1.10 -0.08 0.00 -0.63 0.00 0.00 39.34 37.53 3h1i n TYR 20 CO 0.00 0.00 0.00 -0.92 0.22 0.00 0.00 176.86 176.16 3h1i h TYR 21 N 0.00 -0.51 0.00 2.98 3.20 -0.97 0.43 116.97 122.10 3h1i h TYR 21 Ca 0.78 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.61 3h1i h TYR 21 Cb 2.46 0.17 -0.00 0.00 1.54 0.00 0.00 36.73 40.90 3h1i h TYR 21 CO -0.01 -0.32 -0.13 -0.91 -1.64 0.00 0.00 178.16 175.16 3h1i h ASN 22 N -0.54 0.00 0.41 -2.11 2.35 0.25 -2.54 115.58 113.40 3h1i h ASN 22 Ca -0.05 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.68 3h1i h ASN 22 Cb 0.42 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.79 3h1i h ASN 22 CO 0.08 0.13 -0.19 0.00 -1.65 0.00 0.00 177.43 175.80 3h1i h ALA 23 N 1.87 -0.54 -0.96 -0.83 0.00 0.43 -2.95 119.26 116.28 3h1i h ALA 23 Ca -0.00 -0.19 0.19 0.00 0.00 0.00 0.00 54.91 54.91 3h1i h ALA 23 Cb 0.30 0.21 -0.09 0.00 0.00 0.00 0.00 17.79 18.21 3h1i h ALA 23 CO 0.02 -0.63 0.61 0.00 0.00 0.00 0.00 179.25 179.25 3h1i h ALA 24 N -0.51 1.91 -4.37 0.00 0.00 -0.04 -3.45 119.26 112.80 3h1i h ALA 24 Ca -0.06 0.05 -0.36 0.00 0.00 0.00 0.00 54.91 54.54 3h1i h ALA 24 Cb 0.55 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3h1i h ALA 24 CO 0.09 -0.23 -0.52 0.41 0.00 0.00 0.00 179.25 179.00 3h1i n GLY 25 N -1.42 -0.50 0.17 0.00 0.00 -0.97 -4.82 105.19 97.65 3h1i n GLY 25 Ca 0.21 0.07 0.05 0.00 0.00 0.00 0.00 46.02 46.36 3h1i n GLY 25 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 3h1i h PHE 26 N -0.75 0.00 0.00 1.61 -5.15 -1.88 -2.58 116.94 108.19 3h1i h PHE 26 Ca -0.44 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.33 3h1i h PHE 26 Cb 1.31 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.48 3h1i h PHE 26 CO 0.61 0.39 0.00 0.27 -2.00 0.00 0.00 178.31 177.58 3h1i n ASN 27 N -3.31 0.00 0.09 -0.68 6.94 -1.26 -0.01 115.26 117.04 3h1i n ASN 27 Ca 0.01 0.43 0.13 0.00 -0.02 0.00 0.00 54.58 55.13 3h1i n ASN 27 Cb 0.61 -0.45 0.39 0.00 -2.36 0.00 0.00 39.78 37.97 3h1i n ASN 27 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 3h1i n LYS 28 N -1.45 0.25 0.00 -3.83 5.02 -0.97 -1.68 118.16 115.51 3h1i n LYS 28 Ca 0.01 0.19 0.12 0.00 -2.02 0.00 0.00 58.31 56.61 3h1i n LYS 28 Cb 0.04 -1.78 0.15 0.00 -0.02 0.00 0.00 35.03 33.43 3h1i n LYS 28 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3h1i n TYR 29 N -2.21 0.00 -1.90 2.13 4.02 0.99 -1.57 117.16 118.62 3h1i n TYR 29 Ca 0.05 0.00 -0.03 0.00 -0.01 0.00 0.00 57.90 57.91 3h1i n TYR 29 Cb 0.43 -0.03 -0.00 0.00 -0.02 0.00 0.00 39.34 39.72 3h1i n TYR 29 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3h1i n GLY 30 N 1.37 0.30 3.91 2.72 0.00 -0.91 -4.57 105.19 108.01 3h1i n GLY 30 Ca 0.12 -0.79 -0.31 0.00 0.00 0.00 0.00 46.02 45.04 3h1i n GLY 30 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h1i s LEU 31 N -0.86 4.35 0.38 0.99 1.43 -1.21 -4.93 118.68 118.82 3h1i s LEU 31 Ca 0.00 0.27 -0.05 0.00 -1.03 0.00 0.00 54.13 53.33 3h1i s LEU 31 Cb 0.00 -2.90 -0.04 0.00 0.03 0.00 0.00 46.19 43.28 3h1i s LEU 31 CO 0.00 0.18 0.66 -0.04 0.23 0.00 0.00 176.35 177.38 3h1i s MET 32 N -2.43 3.59 0.00 1.70 -1.94 -1.26 -4.15 119.30 114.82 3h1i s MET 32 Ca 0.34 0.06 0.00 0.00 -1.71 0.00 0.00 55.69 54.38 3h1i s MET 32 Cb -0.13 -2.52 0.00 0.00 2.01 0.00 0.00 34.83 34.19 3h1i s MET 32 CO 0.27 0.03 0.87 -2.13 -0.01 0.00 0.00 175.02 174.04 3h1i n ARG 33 N -1.60 0.00 -0.10 2.03 0.63 -1.26 0.40 116.66 116.76 3h1i n ARG 33 Ca -0.01 0.74 0.25 0.00 -0.92 0.00 0.00 57.85 57.92 3h1i n ARG 33 Cb 0.55 -1.37 0.55 0.00 0.45 0.00 0.00 32.46 32.64 3h1i n ARG 33 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 3h1i h ASP 34 N 0.00 0.00 -0.15 6.15 5.19 -1.95 0.68 116.42 126.34 3h1i h ASP 34 Ca 0.00 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.40 3h1i h ASP 34 Cb 0.00 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 3h1i h ASP 34 CO 0.00 0.00 0.06 0.44 -3.12 0.00 0.00 179.24 176.62 3h1i h ASP 35 N 0.00 0.24 1.82 6.45 3.32 -0.41 -2.82 116.42 125.02 3h1i h ASP 35 Ca 0.38 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.42 3h1i h ASP 35 Cb 2.26 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 41.75 3h1i h ASP 35 CO -0.00 0.24 -0.16 0.71 -1.72 0.00 0.00 179.24 178.30 3h1i h THR 36 N 0.28 0.00 -0.98 0.35 1.35 0.55 -3.48 112.91 110.98 3h1i h THR 36 Ca 0.07 -0.98 -0.66 0.00 -0.55 0.00 0.00 66.41 64.29 3h1i h THR 36 Cb 0.09 1.90 0.11 0.00 -1.73 0.00 0.00 68.15 68.51 3h1i h THR 36 CO -0.01 0.00 -0.50 0.18 -0.25 0.00 0.00 175.52 174.95 3h1i n LEU 37 N -3.00 -1.18 -4.72 3.87 4.77 -1.07 -4.84 117.00 110.84 3h1i n LEU 37 Ca 0.03 1.10 -0.42 0.00 -0.03 0.00 0.00 56.01 56.70 3h1i n LEU 37 Cb 0.53 -0.93 -0.03 0.00 -2.33 0.00 0.00 43.42 40.66 3h1i n LEU 37 CO 0.35 -2.88 0.74 -0.47 -1.33 0.00 0.00 177.39 173.79 3h1i s TYR 38 N -0.94 3.62 -1.18 -1.77 5.04 -1.26 -4.94 117.35 115.92 3h1i s TYR 38 Ca 0.63 1.61 -0.22 0.00 -2.44 0.00 0.00 57.07 56.65 3h1i s TYR 38 Cb -0.92 -3.20 -0.05 0.00 0.35 0.00 0.00 41.96 38.14 3h1i s TYR 38 CO 0.55 -0.34 1.89 -1.21 -1.34 0.00 0.00 175.55 175.10 3h1i s GLU 39 N 0.74 2.78 0.68 4.97 2.02 -1.26 -4.88 118.70 123.74 3h1i s GLU 39 Ca 0.53 -1.24 -0.01 0.00 0.02 0.00 0.00 54.97 54.27 3h1i s GLU 39 Cb -0.24 -5.28 0.10 0.00 0.10 0.00 0.00 34.13 28.80 3h1i s GLU 39 CO 0.29 -3.61 0.94 0.16 0.02 0.00 0.00 175.26 173.07 3h1i s ASP 40 N 6.20 4.61 0.45 -0.19 1.47 -1.26 -4.69 116.67 123.26 3h1i s ASP 40 Ca 0.66 -0.19 0.29 0.00 1.18 0.00 0.00 52.55 54.49 3h1i s ASP 40 Cb -0.00 -0.34 1.38 0.00 -0.34 0.00 0.00 42.92 43.61 3h1i s ASP 40 CO 0.11 -1.67 1.69 0.44 0.68 0.00 0.00 175.17 176.42 3h1i h ASP 41 N -0.40 0.24 0.16 2.11 3.45 -1.98 0.42 116.42 120.42 3h1i h ASP 41 Ca -0.39 0.09 -0.01 0.00 0.43 0.00 0.00 57.03 57.15 3h1i h ASP 41 Cb 1.28 0.06 0.00 0.00 -0.56 0.00 0.00 39.33 40.11 3h1i h ASP 41 CO 0.45 -0.05 -0.08 0.44 -1.57 0.00 0.00 179.24 178.43 3h1i h ASP 42 N 0.16 -0.18 -0.70 6.45 3.45 -1.97 -2.98 116.42 120.65 3h1i h ASP 42 Ca 0.72 0.01 0.11 0.00 0.43 0.00 0.00 57.03 58.30 3h1i h ASP 42 Cb 2.30 0.05 -0.12 0.00 -0.56 0.00 0.00 39.33 40.99 3h1i h ASP 42 CO -0.28 0.20 -0.38 0.58 -1.57 0.00 0.00 179.24 177.80 3h1i h VAL 43 N -0.87 0.10 -0.94 -1.35 2.07 -1.73 0.55 116.25 114.08 3h1i h VAL 43 Ca -0.02 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.68 3h1i h VAL 43 Cb 0.16 0.10 -0.18 0.00 -1.52 0.00 0.00 31.29 29.86 3h1i h VAL 43 CO 0.04 0.00 -0.25 0.11 0.02 0.00 0.00 177.57 177.48 3h1i h LYS 44 N -0.14 -0.00 -0.38 1.57 1.57 -0.28 1.28 116.57 120.19 3h1i h LYS 44 Ca 0.24 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.98 3h1i h LYS 44 Cb 0.56 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 3h1i h LYS 44 CO -0.77 -0.00 0.06 1.49 -0.57 0.00 0.00 179.45 179.66 3h1i h GLU 45 N -0.00 0.64 0.17 3.15 4.57 0.10 -2.53 114.58 120.68 3h1i h GLU 45 Ca 0.44 -0.18 0.01 0.00 -1.18 0.00 0.00 59.36 58.45 3h1i h GLU 45 Cb 0.68 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 29.16 3h1i h GLU 45 CO -0.97 0.70 -0.43 0.00 -1.18 0.00 0.00 179.01 177.14 3h1i h ALA 46 N 0.91 -0.95 -1.18 2.92 0.00 0.46 -0.73 119.26 120.69 3h1i h ALA 46 Ca 0.12 -0.11 0.36 0.00 0.00 0.00 0.00 54.91 55.28 3h1i h ALA 46 Cb 0.38 0.78 -0.12 0.00 0.00 0.00 0.00 17.79 18.83 3h1i h ALA 46 CO 0.01 -1.04 0.75 -0.07 0.00 0.00 0.00 179.25 178.90 3h1i h LEU 47 N -0.66 0.34 -1.72 0.00 3.38 -0.30 1.04 115.31 117.39 3h1i h LEU 47 Ca -0.02 0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 3h1i h LEU 47 Cb 0.64 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.48 3h1i h LEU 47 CO -0.19 -0.09 -0.08 0.11 0.09 0.00 0.00 178.44 178.28 3h1i h LYS 48 N 0.21 0.00 0.00 1.13 1.57 -0.69 -2.65 116.57 116.15 3h1i h LYS 48 Ca 0.73 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.51 3h1i h LYS 48 Cb 2.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.41 3h1i h LYS 48 CO -0.40 0.08 -0.39 0.54 -0.57 0.00 0.00 179.45 178.70 3h1i n ARG 49 N -3.28 0.25 -1.73 3.15 1.74 0.36 -4.93 116.66 112.21 3h1i n ARG 49 Ca -0.01 0.12 -0.42 0.00 -0.77 0.00 0.00 57.85 56.77 3h1i n ARG 49 Cb 0.28 -1.70 -0.01 0.00 -1.02 0.00 0.00 32.46 30.01 3h1i n ARG 49 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3h1i n LEU 50 N -2.09 4.15 -4.74 0.55 4.77 -1.00 -4.94 117.00 113.69 3h1i n LEU 50 Ca 0.04 1.19 -0.38 0.00 -0.03 0.00 0.00 56.01 56.84 3h1i n LEU 50 Cb 0.43 -1.56 0.05 0.00 -2.33 0.00 0.00 43.42 40.01 3h1i n LEU 50 CO 0.34 -0.08 0.94 -2.84 -1.33 0.00 0.00 177.39 174.42 3h1i s PRO 51 N -1.36 2.90 0.27 3.23 0.02 -1.26 -4.80 135.00 133.99 3h1i s PRO 51 Ca 0.59 2.13 -0.00 0.00 0.02 0.00 0.00 61.00 63.74 3h1i s PRO 51 Cb -0.53 -2.07 0.50 0.00 0.02 0.00 0.00 34.50 32.43 3h1i s PRO 51 CO 0.57 -1.35 1.83 1.49 -0.33 0.00 0.00 177.00 179.22 3h1i h GLU 52 N 1.06 0.94 0.56 5.54 4.81 -1.99 -2.55 114.58 122.95 3h1i h GLU 52 Ca -0.51 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 58.64 3h1i h GLU 52 Cb 1.31 -0.21 0.01 0.00 0.63 0.00 0.00 28.75 30.49 3h1i h GLU 52 CO 0.55 0.62 -0.27 0.38 -0.73 0.00 0.00 179.01 179.57 3h1i h ASP 53 N 0.97 -0.63 0.00 1.04 3.04 -2.00 -1.47 116.42 117.37 3h1i h ASP 53 Ca 0.47 0.02 0.00 0.00 -3.24 0.00 0.00 57.03 54.28 3h1i h ASP 53 Cb 0.43 0.16 0.00 0.00 -1.04 0.00 0.00 39.33 38.88 3h1i h ASP 53 CO -0.25 -0.45 0.53 -0.07 -2.04 0.00 0.00 179.24 176.96 3h1i h LEU 54 N -0.76 0.00 0.00 0.15 3.38 -1.90 -1.58 115.31 114.60 3h1i h LEU 54 Ca -0.08 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 3h1i h LEU 54 Cb 0.57 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 3h1i h LEU 54 CO 0.13 0.00 -0.69 0.00 0.09 0.00 0.00 178.44 177.96 3h1i n TYR 55 N -2.23 0.88 -0.14 1.13 9.36 -0.97 -2.99 117.16 122.19 3h1i n TYR 55 Ca -0.01 0.38 0.21 0.00 3.32 0.00 0.00 57.90 61.80 3h1i n TYR 55 Cb 0.55 -0.82 0.61 0.00 -0.63 0.00 0.00 39.34 39.05 3h1i n TYR 55 CO 0.00 0.00 0.00 -0.91 0.22 0.00 0.00 176.86 176.17 3h1i h ASN 56 N -1.00 0.20 0.87 2.98 2.35 -0.43 -0.43 115.58 120.12 3h1i h ASN 56 Ca -0.07 0.02 -0.04 0.00 -0.55 0.00 0.00 56.30 55.65 3h1i h ASN 56 Cb 0.69 -0.02 0.01 0.00 0.05 0.00 0.00 38.32 39.04 3h1i h ASN 56 CO -0.04 0.09 -0.42 -0.33 -1.65 0.00 0.00 177.43 175.08 3h1i h GLU 57 N 0.20 -1.13 -0.75 0.81 5.08 -1.48 -1.65 114.58 115.67 3h1i h GLU 57 Ca 0.37 0.08 0.16 0.00 -1.00 0.00 0.00 59.36 58.97 3h1i h GLU 57 Cb 1.17 0.26 -0.14 0.00 0.50 0.00 0.00 28.75 30.54 3h1i h GLU 57 CO -0.07 -0.75 -0.10 -0.09 -1.00 0.00 0.00 179.01 176.99 3h1i h ARG 58 N -1.30 0.04 0.42 2.33 2.43 -1.09 -0.28 114.38 116.93 3h1i h ARG 58 Ca -0.12 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.04 3h1i h ARG 58 Cb 0.90 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.41 3h1i h ARG 58 CO 0.20 0.03 -0.48 1.98 -1.51 0.00 0.00 179.97 180.19 3h1i h MET 59 N 0.04 -0.89 -0.73 0.20 4.05 -1.02 -1.98 114.93 114.60 3h1i h MET 59 Ca 0.38 0.06 0.15 0.00 -0.28 0.00 0.00 59.70 60.01 3h1i h MET 59 Cb 0.63 0.20 -0.10 0.00 -0.80 0.00 0.00 31.60 31.53 3h1i h MET 59 CO -0.72 -0.59 0.24 0.35 0.23 0.00 0.00 176.91 176.42 3h1i h PHE 60 N -0.92 0.40 -1.00 1.39 3.57 -0.24 0.34 116.94 120.48 3h1i h PHE 60 Ca -0.04 0.04 0.21 0.00 3.53 0.00 0.00 57.97 61.71 3h1i h PHE 60 Cb 0.82 -0.07 -0.11 0.00 2.79 0.00 0.00 35.95 39.38 3h1i h PHE 60 CO -0.27 0.00 0.60 0.00 -2.23 0.00 0.00 178.31 176.41 3h1i h ARG 61 N 0.36 0.67 0.14 1.11 3.08 -0.49 0.87 114.38 120.11 3h1i h ARG 61 Ca 0.41 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.41 3h1i h ARG 61 Cb 0.65 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.55 3h1i h ARG 61 CO -0.44 0.44 -0.06 0.82 -1.07 0.00 0.00 179.97 179.66 3h1i h ILE 62 N 0.69 0.81 0.00 2.04 2.04 0.22 -2.04 117.51 121.27 3h1i h ILE 62 Ca 0.61 -1.23 0.00 0.00 1.00 0.00 0.00 64.86 65.23 3h1i h ILE 62 Cb 1.03 1.41 0.00 0.00 -0.74 0.00 0.00 36.82 38.52 3h1i h ILE 62 CO -0.42 0.23 0.24 0.50 0.00 0.00 0.00 178.15 178.69 3h1i h LYS 63 N -0.91 0.00 0.10 2.37 3.64 -0.11 0.81 116.57 122.47 3h1i h LYS 63 Ca -0.02 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.07 3h1i h LYS 63 Cb 0.51 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 3h1i h LYS 63 CO 0.03 0.00 -1.53 -0.09 -2.27 0.00 0.00 179.45 175.59 3h1i h ARG 64 N 0.00 0.21 -0.64 1.90 2.43 -0.81 -2.99 114.38 114.48 3h1i h ARG 64 Ca 0.00 -0.37 0.02 0.00 -0.81 0.00 0.00 59.98 58.83 3h1i h ARG 64 Cb 0.47 0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 30.12 3h1i h ARG 64 CO 0.00 1.17 0.41 0.00 -1.51 0.00 0.00 179.97 180.04 3h1i h ALA 65 N -0.08 0.83 0.29 2.80 0.00 0.11 0.57 119.26 123.78 3h1i h ALA 65 Ca -0.34 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 3h1i h ALA 65 Cb 1.76 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.33 3h1i h ALA 65 CO 0.03 0.19 -0.14 -0.07 0.00 0.00 0.00 179.25 179.25 3h1i h LEU 66 N 0.81 -0.33 -1.10 0.00 3.38 -0.11 0.29 115.31 118.25 3h1i h LEU 66 Ca 0.25 -0.01 0.22 0.00 0.09 0.00 0.00 57.88 58.43 3h1i h LEU 66 Cb -0.02 0.09 -0.11 0.00 0.09 0.00 0.00 40.66 40.71 3h1i h LEU 66 CO -0.09 -0.21 0.62 -0.78 0.09 0.00 0.00 178.44 178.07 3h1i h ASP 67 N -0.43 0.68 0.00 -0.43 1.82 -1.23 -0.69 116.42 116.14 3h1i h ASP 67 Ca -0.04 0.10 0.00 0.00 -0.39 0.00 0.00 57.03 56.70 3h1i h ASP 67 Cb 0.32 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.32 3h1i h ASP 67 CO 0.07 0.19 0.00 0.18 -1.61 0.00 0.00 179.24 178.07 3h1i n LEU 68 N -4.76 0.30 -0.19 2.28 4.77 0.13 -2.52 117.00 117.02 3h1i n LEU 68 Ca 0.24 0.62 0.21 0.00 -0.03 0.00 0.00 56.01 57.06 3h1i n LEU 68 Cb 0.68 -0.21 0.32 0.00 -2.33 0.00 0.00 43.42 41.88 3h1i n LEU 68 CO 0.21 -0.21 0.87 -0.24 -1.33 0.00 0.00 177.39 176.70 3h1i n SER 69 N -1.12 0.00 0.07 -1.43 2.88 0.03 0.40 113.62 114.45 3h1i n SER 69 Ca 0.00 0.53 0.05 0.00 -1.33 0.00 0.00 58.87 58.13 3h1i n SER 69 Cb 0.00 -0.19 -0.04 0.00 -0.75 0.00 0.00 64.21 63.23 3h1i n SER 69 CO 0.00 0.00 0.00 0.17 -1.23 0.00 0.00 175.04 173.98 3h1i h LEU 70 N 0.00 0.00 0.00 2.46 8.10 -1.13 -3.26 115.31 121.48 3h1i h LEU 70 Ca 0.37 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.36 3h1i h LEU 70 Cb 2.06 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 42.28 3h1i h LEU 70 CO -0.00 0.31 -0.80 0.29 -4.11 0.00 0.00 178.44 174.13 3h1i n LYS 71 N -2.82 0.13 -1.91 0.17 5.02 1.33 -4.95 118.16 115.13 3h1i n LYS 71 Ca -0.05 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.19 3h1i n LYS 71 Cb 0.70 -1.55 -0.01 0.00 -0.02 0.00 0.00 35.03 34.16 3h1i n LYS 71 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3h1i n HIS 72 N -1.71 -0.22 -4.67 2.13 8.25 -0.22 -5.03 115.22 113.75 3h1i n HIS 72 Ca 0.04 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.19 3h1i n HIS 72 Cb 0.38 -1.75 -0.07 0.00 1.12 0.00 0.00 29.99 29.66 3h1i n HIS 72 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3h1i s ARG 73 N -3.90 2.13 0.14 -0.41 1.81 -1.23 -4.99 118.95 112.49 3h1i s ARG 73 Ca 0.00 -2.35 0.03 0.00 -1.72 0.00 0.00 55.73 51.68 3h1i s ARG 73 Cb 0.00 -1.08 -0.01 0.00 -0.45 0.00 0.00 34.95 33.41 3h1i s ARG 73 CO 0.00 -0.47 0.10 0.44 -0.68 0.00 0.00 175.30 174.69 3h1i n ILE 74 N -1.15 0.00 -3.20 1.52 -5.35 -1.26 -4.13 119.36 105.79 3h1i n ILE 74 Ca -0.15 -0.97 -0.34 0.00 -0.27 0.00 0.00 62.75 61.03 3h1i n ILE 74 Cb 0.66 0.46 -0.06 0.00 -1.74 0.00 0.00 39.64 38.95 3h1i n ILE 74 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3h1i s LEU 75 N 0.00 4.23 0.19 7.28 1.43 -0.61 -5.00 118.68 126.19 3h1i s LEU 75 Ca 0.14 1.25 -0.32 0.00 -1.03 0.00 0.00 54.13 54.17 3h1i s LEU 75 Cb 0.01 -3.71 -0.11 0.00 0.03 0.00 0.00 46.19 42.41 3h1i s LEU 75 CO 0.10 -0.05 1.67 -2.84 0.23 0.00 0.00 176.35 175.46 3h1i s PRO 76 N -2.42 4.16 0.08 1.29 0.02 -1.26 -4.77 135.00 132.10 3h1i s PRO 76 Ca 0.46 2.52 0.02 0.00 0.02 0.00 0.00 61.00 64.03 3h1i s PRO 76 Cb -0.13 -3.11 0.25 0.00 0.02 0.00 0.00 34.50 31.52 3h1i s PRO 76 CO 0.19 -0.70 0.38 1.17 -0.33 0.00 0.00 177.00 177.71 3h1i n LYS 77 N 4.01 -0.02 -0.27 5.54 4.81 -1.26 0.34 118.16 131.30 3h1i n LYS 77 Ca 0.15 0.35 0.09 0.00 -0.87 0.00 0.00 58.31 58.03 3h1i n LYS 77 Cb 0.36 -0.59 0.23 0.00 0.02 0.00 0.00 35.03 35.06 3h1i n LYS 77 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 3h1i h GLU 78 N 0.00 0.31 -0.51 1.64 3.07 -2.03 -0.85 114.58 116.21 3h1i h GLU 78 Ca 0.17 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.01 3h1i h GLU 78 Cb 0.41 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.25 3h1i h GLU 78 CO -0.21 0.20 0.00 1.04 -1.40 0.00 0.00 179.01 178.64 3h1i n GLN 79 N -5.12 2.29 -1.36 2.33 6.02 0.15 -4.92 117.38 116.77 3h1i n GLN 79 Ca 0.17 -1.53 -0.32 0.00 -0.01 0.00 0.00 57.00 55.31 3h1i n GLN 79 Cb 0.54 -1.49 0.08 0.00 1.02 0.00 0.00 30.24 30.39 3h1i n GLN 79 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 3h1i s TRP 80 N -1.61 2.56 -0.03 1.08 0.52 -0.33 -4.67 118.94 116.46 3h1i s TRP 80 Ca 0.28 1.56 -0.24 0.00 0.02 0.00 0.00 56.10 57.72 3h1i s TRP 80 Cb 0.17 -3.09 -0.04 0.00 -1.15 0.00 0.00 33.47 29.36 3h1i s TRP 80 CO 0.16 -1.81 0.74 0.08 0.02 0.00 0.00 176.95 176.14 3h1i s VAL 81 N -2.75 4.96 -0.10 4.03 1.01 -0.67 -5.01 120.40 121.86 3h1i s VAL 81 Ca 0.63 1.53 -0.18 0.00 0.00 0.00 0.00 61.98 63.96 3h1i s VAL 81 Cb -0.18 -4.08 -0.04 0.00 0.00 0.00 0.00 36.38 32.08 3h1i s VAL 81 CO 0.53 0.27 0.49 -0.54 0.00 0.00 0.00 175.10 175.85 3h1i s LYS 82 N 0.60 4.32 0.07 2.72 1.02 -1.26 -4.83 119.74 122.37 3h1i s LYS 82 Ca 0.39 0.49 -0.13 0.00 0.02 0.00 0.00 55.97 56.74 3h1i s LYS 82 Cb -0.19 -3.42 -0.03 0.00 -0.52 0.00 0.00 37.83 33.68 3h1i s LYS 82 CO 0.20 0.20 0.76 0.98 -0.92 0.00 0.00 175.35 176.58 3h1i n TYR 83 N 3.48 -0.18 0.26 3.18 9.36 -1.26 0.12 117.16 132.13 3h1i n TYR 83 Ca -0.07 0.52 0.14 0.00 3.32 0.00 0.00 57.90 61.81 3h1i n TYR 83 Cb 0.52 -0.48 0.71 0.00 -0.63 0.00 0.00 39.34 39.45 3h1i n TYR 83 CO 0.00 0.00 0.00 1.05 0.22 0.00 0.00 176.86 178.13 3h1i h GLU 84 N 0.00 0.00 -0.30 2.98 9.09 -2.00 -2.50 114.58 121.85 3h1i h GLU 84 Ca 0.07 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.48 3h1i h GLU 84 Cb 0.17 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.27 3h1i h GLU 84 CO -0.39 0.00 0.00 0.39 0.05 0.00 0.00 179.01 179.06 3h1i n GLU 85 N -2.51 2.44 -2.15 1.06 1.02 0.33 -4.93 120.64 115.91 3h1i n GLU 85 Ca -0.01 -2.19 -0.42 0.00 -0.02 0.00 0.00 57.16 54.52 3h1i n GLU 85 Cb 0.11 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 30.01 3h1i n GLU 85 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3h1i s ASP 86 N -1.58 6.79 -0.53 1.62 -1.08 -0.94 -4.90 116.67 116.05 3h1i s ASP 86 Ca 0.36 2.21 -0.19 0.00 -0.52 0.00 0.00 52.55 54.41 3h1i s ASP 86 Cb 0.22 -2.56 0.07 0.00 -1.46 0.00 0.00 42.92 39.19 3h1i s ASP 86 CO 0.31 -0.76 0.63 -1.59 0.52 0.00 0.00 175.17 174.27 3h1i s LYS 87 N 2.47 3.09 -0.81 4.34 -2.85 -1.26 -4.95 119.74 119.76 3h1i s LYS 87 Ca 0.66 -1.06 -0.24 0.00 -1.00 0.00 0.00 55.97 54.34 3h1i s LYS 87 Cb -0.34 -4.15 -0.17 0.00 -2.06 0.00 0.00 37.83 31.11 3h1i s LYS 87 CO 0.28 -1.30 1.89 -0.35 0.10 0.00 0.00 175.35 175.98 3h1i n PRO 88 N 6.13 1.23 0.27 1.78 -0.04 -1.26 -4.63 135.00 138.48 3h1i n PRO 88 Ca -0.08 -1.91 0.15 0.00 -0.04 0.00 0.00 63.50 61.61 3h1i n PRO 88 Cb 0.44 -3.18 0.73 0.00 -0.04 0.00 0.00 33.50 31.45 3h1i n PRO 88 CO 0.00 0.00 0.00 0.10 -0.04 0.00 0.00 175.50 175.56 3h1i h TYR 89 N 8.99 0.00 0.00 0.54 -0.00 -1.99 -3.32 116.97 121.20 3h1i h TYR 89 Ca 0.31 0.00 -0.16 0.00 0.00 0.00 0.00 58.73 58.88 3h1i h TYR 89 Cb 0.78 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 37.48 3h1i h TYR 89 CO 1.18 0.10 -1.64 -0.11 -0.00 0.00 0.00 178.16 177.69 3h1i n LEU 90 N -3.39 0.00 -0.29 0.10 7.94 -1.26 -4.71 117.00 115.40 3h1i n LEU 90 Ca -0.01 0.00 -0.08 0.00 -1.11 0.00 0.00 56.01 54.81 3h1i n LEU 90 Cb 0.27 0.22 -0.07 0.00 0.53 0.00 0.00 43.42 44.37 3h1i n LEU 90 CO 0.29 0.22 0.35 1.21 -1.11 0.00 0.00 177.39 178.35 3h1i n GLU 91 N -2.32 -0.30 0.06 1.96 4.07 -1.25 -0.45 120.64 122.41 3h1i n GLU 91 Ca -0.15 1.08 -0.12 0.00 -0.06 0.00 0.00 57.16 57.92 3h1i n GLU 91 Cb 0.77 -1.60 -0.07 0.00 -0.06 0.00 0.00 31.44 30.49 3h1i n GLU 91 CO 0.00 0.00 0.00 -1.00 -0.06 0.00 0.00 177.13 176.07 3h1i h PRO 92 N 0.00 -0.08 -0.33 5.31 0.13 -1.85 -1.64 132.00 133.53 3h1i h PRO 92 Ca 0.11 0.01 0.07 0.00 -0.87 0.00 0.00 66.00 65.31 3h1i h PRO 92 Cb 0.28 0.02 -0.08 0.00 0.13 0.00 0.00 31.00 31.34 3h1i h PRO 92 CO -0.64 -0.05 -0.36 1.88 -0.23 0.00 0.00 178.00 178.60 3h1i h TYR 93 N -0.08 -1.00 -0.07 1.56 -1.99 -1.21 -2.30 116.97 111.88 3h1i h TYR 93 Ca 0.00 0.06 0.01 0.00 2.00 0.00 0.00 58.73 60.80 3h1i h TYR 93 Cb 0.08 0.49 -0.03 0.00 2.00 0.00 0.00 36.73 39.27 3h1i h TYR 93 CO -0.09 -0.41 -0.24 1.25 -0.00 0.00 0.00 178.16 178.67 3h1i h LEU 94 N -0.31 -0.76 -0.88 3.88 5.85 -0.63 -1.92 115.31 120.54 3h1i h LEU 94 Ca 0.14 0.09 0.19 0.00 0.84 0.00 0.00 57.88 59.14 3h1i h LEU 94 Cb 0.56 0.30 -0.17 0.00 0.37 0.00 0.00 40.66 41.72 3h1i h LEU 94 CO -0.50 -0.21 -0.17 0.29 -0.34 0.00 0.00 178.44 177.50 3h1i n LYS 95 N -3.82 -0.08 0.17 1.25 4.76 -0.63 0.52 118.16 120.34 3h1i n LYS 95 Ca -0.03 1.37 -0.14 0.00 -2.87 0.00 0.00 58.31 56.64 3h1i n LYS 95 Cb 0.16 -2.06 -0.07 0.00 -1.84 0.00 0.00 35.03 31.22 3h1i n LYS 95 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 3h1i h GLU 96 N 0.00 -0.51 -0.45 1.97 4.57 -0.88 0.21 114.58 119.49 3h1i h GLU 96 Ca 0.45 0.03 0.04 0.00 -1.18 0.00 0.00 59.36 58.70 3h1i h GLU 96 Cb 0.73 0.12 -0.07 0.00 -0.16 0.00 0.00 28.75 29.37 3h1i h GLU 96 CO -0.89 -0.34 -0.38 0.28 -1.18 0.00 0.00 179.01 176.50 3h1i h VAL 97 N -0.53 0.00 -0.66 0.32 2.07 0.83 0.49 116.25 118.77 3h1i h VAL 97 Ca -0.01 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.64 3h1i h VAL 97 Cb 0.48 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.13 3h1i h VAL 97 CO -0.05 0.00 -0.17 0.40 0.02 0.00 0.00 177.57 177.77 3h1i h ILE 98 N -0.14 0.34 0.11 4.57 2.04 -0.89 -0.48 117.51 123.07 3h1i h ILE 98 Ca 0.07 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.95 3h1i h ILE 98 Cb 0.33 0.34 -0.05 0.00 -0.74 0.00 0.00 36.82 36.70 3h1i h ILE 98 CO -0.50 0.00 -0.41 -0.09 0.00 0.00 0.00 178.15 177.15 3h1i h ARG 99 N -0.00 -0.62 -0.58 2.37 2.43 0.29 0.94 114.38 119.20 3h1i h ARG 99 Ca 0.32 0.04 0.10 0.00 -0.81 0.00 0.00 59.98 59.62 3h1i h ARG 99 Cb 0.48 0.14 -0.11 0.00 -0.42 0.00 0.00 29.97 30.07 3h1i h ARG 99 CO -0.68 -0.41 -0.38 0.93 -1.51 0.00 0.00 179.97 177.91 3h1i h GLU 100 N -0.64 -0.19 0.15 0.20 5.08 0.13 -1.82 114.58 117.48 3h1i h GLU 100 Ca 0.02 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3h1i h GLU 100 Cb 0.67 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.94 3h1i h GLU 100 CO -0.24 -0.13 -0.31 -0.09 -1.00 0.00 0.00 179.01 177.23 3h1i h ARG 101 N -0.20 -0.49 -1.38 2.33 2.43 -0.33 -1.20 114.38 115.54 3h1i h ARG 101 Ca 0.21 0.03 0.46 0.00 -0.81 0.00 0.00 59.98 59.87 3h1i h ARG 101 Cb 0.56 0.11 -0.13 0.00 -0.42 0.00 0.00 29.97 30.09 3h1i h ARG 101 CO -0.68 -0.33 0.89 -0.07 -1.51 0.00 0.00 179.97 178.27 3h1i h LEU 102 N -0.51 0.21 -0.13 3.80 3.38 -0.11 1.12 115.31 123.07 3h1i h LEU 102 Ca -0.02 0.14 -0.11 0.00 0.09 0.00 0.00 57.88 57.98 3h1i h LEU 102 Cb 0.48 0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.37 3h1i h LEU 102 CO -0.13 -0.20 -0.34 -0.08 0.09 0.00 0.00 178.44 177.78 3h1i h GLU 103 N 0.05 0.46 -0.20 1.13 4.81 -0.55 -1.32 114.58 118.96 3h1i h GLU 103 Ca 0.85 -0.32 -0.01 0.00 -0.13 0.00 0.00 59.36 59.75 3h1i h GLU 103 Cb 2.74 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 32.16 3h1i h GLU 103 CO -0.42 0.93 0.08 0.00 -0.73 0.00 0.00 179.01 178.88 3h1i h ARG 104 N 0.06 0.30 0.33 1.92 3.08 0.20 -1.00 114.38 119.28 3h1i h ARG 104 Ca -0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.99 3h1i h ARG 104 Cb 0.95 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.92 3h1i h ARG 104 CO 0.07 0.36 -0.42 0.93 -1.07 0.00 0.00 179.97 179.85 3h1i h GLU 105 N 0.17 -0.77 -0.07 0.04 5.08 0.45 -2.44 114.58 117.05 3h1i h GLU 105 Ca 0.07 0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.42 3h1i h GLU 105 Cb 0.18 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 3h1i h GLU 105 CO -0.01 -0.51 -0.25 0.00 -1.00 0.00 0.00 179.01 177.24 3h1i h ALA 106 N -0.42 1.46 0.00 3.43 0.00 -1.27 -2.47 119.26 119.99 3h1i h ALA 106 Ca -0.02 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3h1i h ALA 106 Cb 0.74 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3h1i h ALA 106 CO -0.12 0.39 0.00 2.35 0.00 0.00 0.00 179.25 181.87 3h1i h TRP 107 N 0.11 0.00 -0.02 0.00 2.91 -0.80 -1.98 115.95 116.16 3h1i h TRP 107 Ca 0.02 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.04 3h1i h TRP 107 Cb 0.51 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.16 3h1i h TRP 107 CO 0.00 0.00 -0.01 0.09 -1.03 0.00 0.00 178.44 177.49 3h1i n ASN 108 N -3.07 1.90 -0.04 2.65 3.02 -0.93 -3.42 115.26 115.38 3h1i n ASN 108 Ca -0.01 -1.62 -0.06 0.00 -0.03 0.00 0.00 54.58 52.86 3h1i n ASN 108 Cb 0.21 0.01 -0.14 0.00 -0.61 0.00 0.00 39.78 39.26 3h1i n ASN 108 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3h1i n LYS 109 N 0.47 0.65 0.00 3.52 5.02 -0.76 -5.12 118.16 121.94 3h1i n LYS 109 Ca 0.17 0.14 0.00 0.00 -2.02 0.00 0.00 58.31 56.60 3h1i n LYS 109 Cb 0.42 -1.68 0.00 0.00 -0.02 0.00 0.00 35.03 33.75 3h1i n LYS 109 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51