#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1k n ARG 11 N 0.00 0.96 -0.02 1.61 1.74 -1.26 -4.30 116.66 115.39 3h1k n ARG 11 Ca 0.00 -0.09 -0.00 0.00 -0.77 0.00 0.00 57.85 56.99 3h1k n ARG 11 Cb 0.00 -1.25 -0.00 0.00 -1.02 0.00 0.00 32.46 30.19 3h1k n ARG 11 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3h1k h LEU 12 N 0.00 0.00 0.00 0.55 5.85 -2.07 -3.29 115.31 116.35 3h1k h LEU 12 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3h1k h LEU 12 Cb 0.52 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.55 3h1k h LEU 12 CO 0.00 0.17 0.00 1.15 -0.34 0.00 0.00 178.44 179.42 3h1k n MET 13 N -2.87 0.27 0.03 1.25 0.00 -1.26 0.61 117.12 115.14 3h1k n MET 13 Ca -0.01 0.04 0.13 0.00 0.00 0.00 0.00 57.70 57.86 3h1k n MET 13 Cb 0.03 -1.50 0.40 0.00 0.00 0.00 0.00 33.22 32.14 3h1k n MET 13 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 3h1k n ASP 14 N -1.06 0.40 -0.01 3.17 -0.08 -1.25 -3.09 116.55 114.63 3h1k n ASP 14 Ca 0.07 0.22 -0.21 0.00 -1.51 0.00 0.00 54.79 53.36 3h1k n ASP 14 Cb 0.04 -0.21 -0.14 0.00 2.34 0.00 0.00 41.12 43.15 3h1k n ASP 14 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 3h1k n ARG 15 N -1.73 0.74 -0.00 -0.67 1.74 0.20 -4.30 116.66 112.64 3h1k n ARG 15 Ca 0.06 0.28 -0.15 0.00 -0.77 0.00 0.00 57.85 57.27 3h1k n ARG 15 Cb 0.37 -1.70 -0.09 0.00 -1.02 0.00 0.00 32.46 30.02 3h1k n ARG 15 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 3h1k h ILE 16 N -0.04 0.03 -0.91 0.55 2.04 -1.50 -1.65 117.51 116.03 3h1k h ILE 16 Ca -0.43 0.00 0.26 0.00 1.00 0.00 0.00 64.86 65.69 3h1k h ILE 16 Cb 1.96 0.03 -0.15 0.00 -0.74 0.00 0.00 36.82 37.92 3h1k h ILE 16 CO 0.05 0.00 0.27 0.03 0.00 0.00 0.00 178.15 178.50 3h1k h ARG 17 N -0.58 0.19 -0.55 2.37 3.08 -1.75 1.09 114.38 118.24 3h1k h ARG 17 Ca 0.04 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 3h1k h ARG 17 Cb 0.68 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.66 3h1k h ARG 17 CO -0.42 0.13 0.32 -0.22 -1.07 0.00 0.00 179.97 178.70 3h1k h LYS 18 N 0.20 0.75 0.00 0.04 3.64 -1.51 0.32 116.57 120.01 3h1k h LYS 18 Ca 0.59 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.90 3h1k h LYS 18 Cb 1.24 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.91 3h1k h LYS 18 CO -0.68 0.56 0.00 1.87 -2.27 0.00 0.00 179.45 178.93 3h1k n TRP 19 N -4.64 0.00 -0.33 1.91 -0.00 0.35 -2.11 117.44 112.62 3h1k n TRP 19 Ca 0.03 0.00 0.25 0.00 -0.00 0.00 0.00 57.50 57.78 3h1k n TRP 19 Cb 0.07 -0.47 0.47 0.00 -0.00 0.00 0.00 31.31 31.38 3h1k n TRP 19 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 177.69 176.77 3h1k h TYR 20 N 0.00 0.61 -0.56 5.87 3.20 -0.55 0.84 116.97 126.37 3h1k h TYR 20 Ca 0.00 0.05 0.09 0.00 3.14 0.00 0.00 58.73 62.01 3h1k h TYR 20 Cb 0.00 -0.10 -0.07 0.00 1.54 0.00 0.00 36.73 38.10 3h1k h TYR 20 CO 0.01 -0.39 0.16 -0.92 -1.64 0.00 0.00 178.16 175.39 3h1k h TYR 21 N 0.08 0.26 0.00 -3.82 3.20 0.04 0.40 116.97 117.13 3h1k h TYR 21 Ca 0.74 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 62.60 3h1k h TYR 21 Cb 1.80 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 40.03 3h1k h TYR 21 CO -0.14 0.03 -0.20 -0.91 -1.64 0.00 0.00 178.16 175.30 3h1k h ASN 22 N 0.31 0.00 0.31 -2.11 2.35 0.11 -2.68 115.58 113.87 3h1k h ASN 22 Ca 0.29 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 56.02 3h1k h ASN 22 Cb 0.38 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.76 3h1k h ASN 22 CO -0.33 0.20 -0.15 0.00 -1.65 0.00 0.00 177.43 175.49 3h1k h ALA 23 N 1.80 -0.42 -0.96 -0.83 0.00 0.22 -3.10 119.26 115.97 3h1k h ALA 23 Ca -0.00 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.73 3h1k h ALA 23 Cb 1.05 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.96 3h1k h ALA 23 CO 0.03 -0.57 0.64 0.00 0.00 0.00 0.00 179.25 179.34 3h1k h ALA 24 N -0.21 1.31 -6.10 0.00 0.00 -0.40 -3.48 119.26 110.38 3h1k h ALA 24 Ca -0.04 -0.07 -0.41 0.00 0.00 0.00 0.00 54.91 54.39 3h1k h ALA 24 Cb 0.50 -0.39 0.09 0.00 0.00 0.00 0.00 17.79 17.99 3h1k h ALA 24 CO 0.07 0.64 -0.91 0.41 0.00 0.00 0.00 179.25 179.46 3h1k n GLY 25 N -1.38 -0.90 0.01 0.00 0.00 -1.01 -4.89 105.19 97.02 3h1k n GLY 25 Ca 0.11 0.42 0.11 0.00 0.00 0.00 0.00 46.02 46.67 3h1k n GLY 25 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3h1k n PHE 26 N -4.06 0.06 -0.20 1.61 1.16 -1.26 -3.65 117.46 111.12 3h1k n PHE 26 Ca -0.12 0.02 -0.09 0.00 -1.87 0.00 0.00 57.45 55.39 3h1k n PHE 26 Cb 0.61 -0.21 0.02 0.00 -1.61 0.00 0.00 39.48 38.29 3h1k n PHE 26 CO 0.00 0.00 0.00 -2.95 -1.87 0.00 0.00 176.76 171.94 3h1k h ASN 27 N 0.00 0.88 -1.06 5.98 -1.07 -1.89 -1.64 115.58 116.77 3h1k h ASN 27 Ca 0.00 -0.25 0.31 0.00 0.07 0.00 0.00 56.30 56.43 3h1k h ASN 27 Cb 0.55 -0.23 -0.04 0.00 -2.07 0.00 0.00 38.32 36.52 3h1k h ASN 27 CO 0.00 0.90 0.95 0.11 0.07 0.00 0.00 177.43 179.45 3h1k h LYS 28 N 0.82 0.00 0.00 4.14 1.57 -1.90 2.25 116.57 123.45 3h1k h LYS 28 Ca 0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 3h1k h LYS 28 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.69 3h1k h LYS 28 CO 0.01 0.00 -0.76 0.66 -0.57 0.00 0.00 179.45 178.78 3h1k n TYR 29 N -3.74 0.22 -0.41 -1.35 4.02 -0.66 -0.77 117.16 114.46 3h1k n TYR 29 Ca 0.23 0.06 0.00 0.00 -0.01 0.00 0.00 57.90 58.18 3h1k n TYR 29 Cb 1.29 -0.39 0.00 0.00 -0.02 0.00 0.00 39.34 40.22 3h1k n TYR 29 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3h1k n GLY 30 N 1.42 0.75 3.93 2.72 0.00 0.76 -4.41 105.19 110.35 3h1k n GLY 30 Ca 0.04 -0.44 -0.25 0.00 0.00 0.00 0.00 46.02 45.37 3h1k n GLY 30 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h1k s LEU 31 N 0.00 3.32 0.22 0.99 1.43 -0.96 -4.94 118.68 118.75 3h1k s LEU 31 Ca 0.00 0.50 0.08 0.00 -1.03 0.00 0.00 54.13 53.68 3h1k s LEU 31 Cb 0.00 -3.33 -0.04 0.00 0.03 0.00 0.00 46.19 42.85 3h1k s LEU 31 CO 0.00 -1.01 0.00 -0.04 0.23 0.00 0.00 176.35 175.53 3h1k s MET 32 N -4.86 2.35 0.08 1.70 -1.94 -1.26 -4.36 119.30 111.01 3h1k s MET 32 Ca 0.53 -1.26 -0.18 0.00 -1.71 0.00 0.00 55.69 53.07 3h1k s MET 32 Cb -0.10 -2.26 -0.06 0.00 2.01 0.00 0.00 34.83 34.42 3h1k s MET 32 CO 0.42 0.41 1.30 -0.09 -0.01 0.00 0.00 175.02 177.05 3h1k h ARG 33 N 2.26 -0.16 0.00 2.03 2.43 -1.95 0.18 114.38 119.18 3h1k h ARG 33 Ca -0.46 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 3h1k h ARG 33 Cb 1.23 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.81 3h1k h ARG 33 CO 0.59 -0.11 0.00 -0.25 -1.51 0.00 0.00 179.97 178.69 3h1k n ASP 34 N -4.19 0.00 -0.02 -3.80 9.92 -1.26 -1.65 116.55 115.55 3h1k n ASP 34 Ca -0.01 0.07 -0.16 0.00 -0.53 0.00 0.00 54.79 54.16 3h1k n ASP 34 Cb 0.18 -0.11 -0.13 0.00 -0.64 0.00 0.00 41.12 40.41 3h1k n ASP 34 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 3h1k h ASP 35 N 0.00 0.20 0.06 -2.24 3.32 -1.01 -3.24 116.42 113.51 3h1k h ASP 35 Ca 0.00 -0.95 0.00 0.00 0.02 0.00 0.00 57.03 56.10 3h1k h ASP 35 Cb 0.01 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.49 3h1k h ASP 35 CO 0.00 1.13 0.00 0.35 -1.72 0.00 0.00 179.24 179.00 3h1k n THR 36 N -4.43 1.80 -1.68 0.35 -2.24 -0.66 -4.78 114.28 102.65 3h1k n THR 36 Ca -0.11 0.49 -0.45 0.00 -2.27 0.00 0.00 64.05 61.70 3h1k n THR 36 Cb 0.60 -1.46 -0.04 0.00 -2.10 0.00 0.00 70.33 67.33 3h1k n THR 36 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3h1k n LEU 37 N -1.57 3.23 -4.71 3.22 4.77 -1.23 -4.91 117.00 115.80 3h1k n LEU 37 Ca 0.00 1.08 -0.42 0.00 -0.03 0.00 0.00 56.01 56.65 3h1k n LEU 37 Cb 0.02 -1.45 -0.03 0.00 -2.33 0.00 0.00 43.42 39.64 3h1k n LEU 37 CO 0.03 -0.23 1.02 -0.47 -1.33 0.00 0.00 177.39 176.40 3h1k s TYR 38 N 0.88 3.28 -1.17 -1.77 5.04 -1.26 -4.92 117.35 117.44 3h1k s TYR 38 Ca 0.78 1.04 -0.18 0.00 -2.44 0.00 0.00 57.07 56.26 3h1k s TYR 38 Cb -0.65 -3.61 -0.04 0.00 0.35 0.00 0.00 41.96 38.01 3h1k s TYR 38 CO 0.38 -2.09 2.01 0.39 -1.34 0.00 0.00 175.55 174.90 3h1k n GLU 39 N 3.99 2.31 -1.60 4.97 1.02 -1.26 -4.81 120.64 125.27 3h1k n GLU 39 Ca 0.11 -2.44 -0.27 0.00 -0.02 0.00 0.00 57.16 54.53 3h1k n GLU 39 Cb 0.43 -3.25 0.20 0.00 -0.02 0.00 0.00 31.44 28.80 3h1k n GLU 39 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3h1k n ASP 40 N 7.93 -0.35 -0.26 1.62 5.75 -1.26 -4.60 116.55 125.37 3h1k n ASP 40 Ca 0.50 -1.38 0.05 0.00 -0.01 0.00 0.00 54.79 53.96 3h1k n ASP 40 Cb 0.42 -0.94 0.19 0.00 -1.03 0.00 0.00 41.12 39.75 3h1k n ASP 40 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 3h1k h ASP 41 N -1.83 0.29 0.22 -1.12 5.19 -1.99 -0.12 116.42 117.05 3h1k h ASP 41 Ca -0.40 0.11 -0.01 0.00 -0.62 0.00 0.00 57.03 56.11 3h1k h ASP 41 Cb 1.11 0.09 -0.00 0.00 0.18 0.00 0.00 39.33 40.71 3h1k h ASP 41 CO 0.28 0.10 -0.13 0.44 -3.12 0.00 0.00 179.24 176.81 3h1k h ASP 42 N 0.45 -0.32 -0.82 6.45 3.45 -1.96 -2.27 116.42 121.39 3h1k h ASP 42 Ca 0.42 0.02 0.19 0.00 0.43 0.00 0.00 57.03 58.09 3h1k h ASP 42 Cb 0.64 0.09 -0.15 0.00 -0.56 0.00 0.00 39.33 39.36 3h1k h ASP 42 CO -0.41 -0.20 0.00 0.58 -1.57 0.00 0.00 179.24 177.65 3h1k h VAL 43 N -0.32 0.26 -0.82 -1.35 2.07 -1.84 0.52 116.25 114.78 3h1k h VAL 43 Ca -0.03 -0.03 0.20 0.00 0.82 0.00 0.00 66.70 67.66 3h1k h VAL 43 Cb 0.26 0.17 -0.13 0.00 -1.52 0.00 0.00 31.29 30.07 3h1k h VAL 43 CO 0.03 0.02 0.21 0.11 0.02 0.00 0.00 177.57 177.96 3h1k h LYS 44 N 0.08 0.24 0.51 1.57 1.79 -0.85 -1.20 116.57 118.71 3h1k h LYS 44 Ca 0.46 -0.01 -0.03 0.00 -2.18 0.00 0.00 60.65 58.89 3h1k h LYS 44 Cb 0.83 -0.05 0.01 0.00 -1.58 0.00 0.00 32.23 31.43 3h1k h LYS 44 CO -0.74 0.16 -0.25 1.49 -1.08 0.00 0.00 179.45 179.04 3h1k h GLU 45 N 0.25 -0.66 -0.58 3.15 4.57 0.61 -3.17 114.58 118.74 3h1k h GLU 45 Ca 0.49 0.05 0.07 0.00 -1.18 0.00 0.00 59.36 58.78 3h1k h GLU 45 Cb 0.92 0.15 -0.10 0.00 -0.16 0.00 0.00 28.75 29.56 3h1k h GLU 45 CO -0.59 -0.37 -0.53 0.00 -1.18 0.00 0.00 179.01 176.33 3h1k h ALA 46 N -0.90 -0.62 -1.11 2.92 0.00 -0.74 0.13 119.26 118.95 3h1k h ALA 46 Ca -0.07 0.05 0.38 0.00 0.00 0.00 0.00 54.91 55.27 3h1k h ALA 46 Cb 0.60 1.14 -0.15 0.00 0.00 0.00 0.00 17.79 19.38 3h1k h ALA 46 CO 0.12 -0.98 0.66 -0.07 0.00 0.00 0.00 179.25 178.98 3h1k h LEU 47 N -0.27 0.38 -1.53 0.00 3.38 -1.32 1.15 115.31 117.10 3h1k h LEU 47 Ca 0.12 0.18 -0.05 0.00 0.09 0.00 0.00 57.88 58.22 3h1k h LEU 47 Cb 0.55 0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 3h1k h LEU 47 CO -0.69 -0.21 -0.24 0.11 0.09 0.00 0.00 178.44 177.50 3h1k h LYS 48 N 0.18 0.00 0.00 1.13 1.57 -0.70 -2.63 116.57 116.12 3h1k h LYS 48 Ca 0.78 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.56 3h1k h LYS 48 Cb 2.09 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 34.40 3h1k h LYS 48 CO -0.56 0.24 -0.03 0.00 -0.57 0.00 0.00 179.45 178.53 3h1k h ARG 49 N 0.00 0.00 -6.49 3.15 3.08 0.16 -3.47 114.38 110.81 3h1k h ARG 49 Ca -0.00 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.44 3h1k h ARG 49 Cb 0.48 0.00 0.08 0.00 0.08 0.00 0.00 29.97 30.60 3h1k h ARG 49 CO 0.03 0.01 0.53 1.28 -1.07 0.00 0.00 179.97 180.76 3h1k n LEU 50 N -3.09 2.60 -4.76 3.04 4.77 -0.99 -4.89 117.00 113.68 3h1k n LEU 50 Ca 0.04 1.13 -0.41 0.00 -0.03 0.00 0.00 56.01 56.74 3h1k n LEU 50 Cb 0.54 -1.36 -0.01 0.00 -2.33 0.00 0.00 43.42 40.25 3h1k n LEU 50 CO 0.34 -0.71 1.19 -2.84 -1.33 0.00 0.00 177.39 174.04 3h1k s PRO 51 N -0.20 4.15 0.00 3.23 0.02 -1.26 -4.65 135.00 136.29 3h1k s PRO 51 Ca 0.72 2.52 -0.00 0.00 0.02 0.00 0.00 61.00 64.26 3h1k s PRO 51 Cb -0.72 -3.03 -0.00 0.00 0.02 0.00 0.00 34.50 30.77 3h1k s PRO 51 CO 0.49 -0.56 0.10 -1.91 -0.33 0.00 0.00 177.00 174.79 3h1k n GLU 52 N 1.78 -0.00 -0.01 5.54 4.07 -1.26 -1.66 120.64 129.09 3h1k n GLU 52 Ca 0.06 0.10 -0.03 0.00 -0.06 0.00 0.00 57.16 57.23 3h1k n GLU 52 Cb 0.38 -0.15 -0.02 0.00 -0.06 0.00 0.00 31.44 31.59 3h1k n GLU 52 CO 0.00 0.00 0.00 0.38 -0.06 0.00 0.00 177.13 177.45 3h1k h ASP 53 N 0.00 -0.38 -0.98 4.31 3.04 -1.99 0.12 116.42 120.55 3h1k h ASP 53 Ca 0.00 0.05 0.30 0.00 -3.24 0.00 0.00 57.03 54.14 3h1k h ASP 53 Cb 0.00 0.15 -0.15 0.00 -1.04 0.00 0.00 39.33 38.30 3h1k h ASP 53 CO -0.01 -0.10 0.51 -0.07 -2.04 0.00 0.00 179.24 177.53 3h1k h LEU 54 N -0.11 0.43 0.29 0.15 3.38 -1.68 -0.06 115.31 117.71 3h1k h LEU 54 Ca 0.01 0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 3h1k h LEU 54 Cb 0.14 0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3h1k h LEU 54 CO -0.10 -0.13 -0.14 0.22 0.09 0.00 0.00 178.44 178.38 3h1k h TYR 55 N 0.32 -0.36 -0.38 1.13 3.20 -0.71 -1.59 116.97 118.57 3h1k h TYR 55 Ca 0.69 -0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.67 3h1k h TYR 55 Cb 1.54 0.12 -0.02 0.00 1.54 0.00 0.00 36.73 39.91 3h1k h TYR 55 CO -0.06 -0.04 0.29 -0.91 -1.64 0.00 0.00 178.16 175.80 3h1k h ASN 56 N -0.71 0.00 0.16 -2.11 2.35 0.72 -1.24 115.58 114.75 3h1k h ASN 56 Ca -0.04 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.70 3h1k h ASN 56 Cb 0.49 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.86 3h1k h ASN 56 CO 0.07 0.00 -0.08 -0.33 -1.65 0.00 0.00 177.43 175.44 3h1k h GLU 57 N 0.00 -0.21 -0.96 0.81 5.08 -0.95 -2.92 114.58 115.43 3h1k h GLU 57 Ca 0.18 0.01 0.25 0.00 -1.00 0.00 0.00 59.36 58.81 3h1k h GLU 57 Cb 0.76 0.05 -0.13 0.00 0.50 0.00 0.00 28.75 29.92 3h1k h GLU 57 CO -0.00 0.23 0.51 -0.09 -1.00 0.00 0.00 179.01 178.66 3h1k h ARG 58 N -0.81 0.44 0.00 2.33 1.12 -0.48 -2.12 114.38 114.86 3h1k h ARG 58 Ca -0.02 -0.03 0.00 0.00 -1.11 0.00 0.00 59.98 58.82 3h1k h ARG 58 Cb 0.53 -0.10 0.00 0.00 -0.01 0.00 0.00 29.97 30.39 3h1k h ARG 58 CO 0.04 0.29 0.00 -0.12 -3.11 0.00 0.00 179.97 177.07 3h1k n MET 59 N -4.99 0.00 -0.33 0.20 1.56 -0.55 -2.56 117.12 110.46 3h1k n MET 59 Ca 0.26 0.51 0.06 0.00 -0.27 0.00 0.00 57.70 58.26 3h1k n MET 59 Cb 0.76 -1.41 0.15 0.00 2.15 0.00 0.00 33.22 34.87 3h1k n MET 59 CO 0.00 0.00 0.00 0.35 -0.73 0.00 0.00 175.97 175.59 3h1k h PHE 60 N 0.00 -0.42 -0.71 1.12 3.57 -1.26 0.20 116.94 119.45 3h1k h PHE 60 Ca 0.00 0.08 0.14 0.00 3.53 0.00 0.00 57.97 61.72 3h1k h PHE 60 Cb 0.00 0.33 -0.13 0.00 2.79 0.00 0.00 35.95 38.94 3h1k h PHE 60 CO 0.00 -0.40 -0.20 0.00 -2.23 0.00 0.00 178.31 175.48 3h1k h ARG 61 N 0.01 -0.02 0.13 1.11 3.08 -1.34 0.74 114.38 118.09 3h1k h ARG 61 Ca 0.46 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.51 3h1k h ARG 61 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.80 3h1k h ARG 61 CO -0.94 -0.01 -0.06 0.82 -1.07 0.00 0.00 179.97 178.70 3h1k h ILE 62 N -0.02 1.02 -0.52 2.04 2.04 -0.38 0.89 117.51 122.58 3h1k h ILE 62 Ca 0.33 -0.70 0.11 0.00 1.00 0.00 0.00 64.86 65.59 3h1k h ILE 62 Cb 0.53 1.46 -0.03 0.00 -0.74 0.00 0.00 36.82 38.04 3h1k h ILE 62 CO -0.74 0.17 0.35 0.50 0.00 0.00 0.00 178.15 178.43 3h1k h LYS 63 N -0.52 0.22 0.23 2.37 3.64 -0.34 0.21 116.57 122.38 3h1k h LYS 63 Ca -0.02 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 3h1k h LYS 63 Cb 0.41 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 3h1k h LYS 63 CO 0.03 0.15 -0.11 -0.09 -2.27 0.00 0.00 179.45 177.16 3h1k h ARG 64 N 0.23 -0.29 -0.65 1.90 2.43 0.69 -2.66 114.38 116.02 3h1k h ARG 64 Ca 0.24 0.02 0.14 0.00 -0.81 0.00 0.00 59.98 59.57 3h1k h ARG 64 Cb 0.65 0.07 -0.11 0.00 -0.42 0.00 0.00 29.97 30.16 3h1k h ARG 64 CO -0.05 0.08 -0.01 0.00 -1.51 0.00 0.00 179.97 178.49 3h1k h ALA 65 N -0.29 0.63 0.00 2.80 0.00 0.51 0.09 119.26 123.01 3h1k h ALA 65 Ca -0.03 0.21 0.01 0.00 0.00 0.00 0.00 54.91 55.10 3h1k h ALA 65 Cb 0.51 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 3h1k h ALA 65 CO 0.05 -0.40 -0.08 -0.07 0.00 0.00 0.00 179.25 178.75 3h1k h LEU 66 N 0.11 -0.24 -1.95 0.00 3.38 -0.69 0.46 115.31 116.38 3h1k h LEU 66 Ca 0.34 0.04 0.18 0.00 0.09 0.00 0.00 57.88 58.53 3h1k h LEU 66 Cb 0.56 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 3h1k h LEU 66 CO -0.57 -0.12 0.46 -0.78 0.09 0.00 0.00 178.44 177.52 3h1k h ASP 67 N -0.15 0.05 0.01 -0.43 1.82 -0.81 0.29 116.42 117.20 3h1k h ASP 67 Ca 0.03 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.68 3h1k h ASP 67 Cb 0.19 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.19 3h1k h ASP 67 CO -0.09 0.02 -0.01 -0.07 -1.61 0.00 0.00 179.24 177.49 3h1k h LEU 68 N 0.05 -0.01 -1.51 2.28 3.38 0.77 -2.58 115.31 117.69 3h1k h LEU 68 Ca 0.31 0.00 0.45 0.00 0.09 0.00 0.00 57.88 58.73 3h1k h LEU 68 Cb 1.16 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.80 3h1k h LEU 68 CO -0.02 -0.00 0.93 -1.28 0.09 0.00 0.00 178.44 178.16 3h1k h SER 69 N -0.03 0.20 -0.27 -0.43 0.87 0.16 1.93 113.55 115.98 3h1k h SER 69 Ca -0.00 0.11 -0.14 0.00 -1.23 0.00 0.00 61.79 60.53 3h1k h SER 69 Cb 0.01 0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 62.07 3h1k h SER 69 CO 0.00 -0.15 -0.39 0.17 -0.53 0.00 0.00 176.83 175.93 3h1k h LEU 70 N 0.07 0.81 -1.12 2.23 8.10 -0.54 -2.98 115.31 121.88 3h1k h LEU 70 Ca 0.83 -0.51 -0.06 0.00 0.11 0.00 0.00 57.88 58.25 3h1k h LEU 70 Cb 2.74 -0.23 -0.01 0.00 -0.44 0.00 0.00 40.66 42.72 3h1k h LEU 70 CO -0.35 1.16 -0.28 0.11 -4.11 0.00 0.00 178.44 174.98 3h1k h LYS 71 N 0.49 0.00 -1.94 0.17 1.57 0.32 -3.47 116.57 113.71 3h1k h LYS 71 Ca 0.03 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.74 3h1k h LYS 71 Cb 0.98 0.00 0.03 0.00 0.08 0.00 0.00 32.23 33.32 3h1k h LYS 71 CO 0.09 0.28 -0.13 0.72 -0.57 0.00 0.00 179.45 179.84 3h1k n HIS 72 N -3.49 -0.52 -3.93 -1.35 8.25 0.11 -5.06 115.22 109.23 3h1k n HIS 72 Ca -0.00 0.19 0.00 0.00 -0.26 0.00 0.00 57.72 57.64 3h1k n HIS 72 Cb 0.44 -1.80 0.00 0.00 1.12 0.00 0.00 29.99 29.75 3h1k n HIS 72 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3h1k n ARG 73 N -1.34 0.88 -2.60 -0.41 5.12 -1.21 -5.02 116.66 112.07 3h1k n ARG 73 Ca -0.00 0.00 -0.06 0.00 -1.93 0.00 0.00 57.85 55.86 3h1k n ARG 73 Cb 0.51 0.00 -0.01 0.00 -1.16 0.00 0.00 32.46 31.81 3h1k n ARG 73 CO 0.00 0.00 0.00 0.44 -1.93 0.00 0.00 177.63 176.14 3h1k n ILE 74 N 0.00 0.00 -3.13 0.55 -5.35 -1.26 -4.40 119.36 105.77 3h1k n ILE 74 Ca 0.00 -0.74 -0.33 0.00 -0.27 0.00 0.00 62.75 61.41 3h1k n ILE 74 Cb 0.00 0.50 -0.06 0.00 -1.74 0.00 0.00 39.64 38.34 3h1k n ILE 74 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3h1k s LEU 75 N 0.00 4.08 0.34 7.28 1.43 0.05 -5.01 118.68 126.85 3h1k s LEU 75 Ca 0.12 1.29 -0.29 0.00 -1.03 0.00 0.00 54.13 54.23 3h1k s LEU 75 Cb -0.01 -4.05 -0.11 0.00 0.03 0.00 0.00 46.19 42.05 3h1k s LEU 75 CO 0.09 -0.19 1.44 -2.84 0.23 0.00 0.00 176.35 175.08 3h1k s PRO 76 N -2.91 4.20 0.26 1.29 0.02 -1.26 -4.77 135.00 131.82 3h1k s PRO 76 Ca 0.53 2.44 0.16 0.00 0.02 0.00 0.00 61.00 64.15 3h1k s PRO 76 Cb -0.11 -3.02 0.91 0.00 0.02 0.00 0.00 34.50 32.30 3h1k s PRO 76 CO 0.18 -0.43 1.03 1.17 -0.33 0.00 0.00 177.00 178.61 3h1k n LYS 77 N 0.97 -0.03 0.24 5.54 4.81 -1.26 0.95 118.16 129.37 3h1k n LYS 77 Ca 0.02 0.88 0.11 0.00 -0.87 0.00 0.00 58.31 58.45 3h1k n LYS 77 Cb 0.40 -1.62 0.56 0.00 0.02 0.00 0.00 35.03 34.39 3h1k n LYS 77 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 3h1k h GLU 78 N 0.00 0.00 0.00 1.64 3.07 -2.03 -3.12 114.58 114.13 3h1k h GLU 78 Ca 0.56 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.42 3h1k h GLU 78 Cb 1.58 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.49 3h1k h GLU 78 CO -0.45 0.20 -0.82 1.04 -1.40 0.00 0.00 179.01 177.58 3h1k n GLN 79 N -3.52 0.10 -0.71 2.33 6.02 0.27 -4.96 117.38 116.91 3h1k n GLN 79 Ca -0.01 -0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.66 3h1k n GLN 79 Cb 0.35 -1.53 0.16 0.00 1.02 0.00 0.00 30.24 30.24 3h1k n GLN 79 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 3h1k n TRP 80 N -1.66 -0.83 -2.69 1.08 8.01 -1.18 -4.85 117.44 115.31 3h1k n TRP 80 Ca 0.04 0.22 -0.26 0.00 -1.31 0.00 0.00 57.50 56.19 3h1k n TRP 80 Cb 0.37 -1.80 0.01 0.00 -2.01 0.00 0.00 31.31 27.89 3h1k n TRP 80 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.69 176.76 3h1k s VAL 81 N -2.43 4.31 -0.06 -0.99 1.01 -1.25 -5.01 120.40 115.98 3h1k s VAL 81 Ca 0.61 -0.06 0.05 0.00 0.00 0.00 0.00 61.98 62.57 3h1k s VAL 81 Cb -0.21 -3.65 -0.00 0.00 0.00 0.00 0.00 36.38 32.52 3h1k s VAL 81 CO 0.65 -0.59 -0.21 -0.54 0.00 0.00 0.00 175.10 174.40 3h1k s LYS 82 N -4.75 2.29 0.12 2.72 1.02 -1.26 -4.89 119.74 114.99 3h1k s LYS 82 Ca 0.49 -0.76 0.01 0.00 0.02 0.00 0.00 55.97 55.73 3h1k s LYS 82 Cb -0.10 -1.90 0.31 0.00 -0.52 0.00 0.00 37.83 35.61 3h1k s LYS 82 CO 0.43 0.27 0.63 0.98 -0.92 0.00 0.00 175.35 176.74 3h1k n TYR 83 N 3.17 0.26 1.10 3.18 9.36 -1.26 0.13 117.16 133.10 3h1k n TYR 83 Ca -0.18 0.48 0.13 0.00 3.32 0.00 0.00 57.90 61.64 3h1k n TYR 83 Cb 0.52 -0.80 0.34 0.00 -0.63 0.00 0.00 39.34 38.77 3h1k n TYR 83 CO 0.00 0.00 0.00 -0.85 0.22 0.00 0.00 176.86 176.23 3h1k n GLU 84 N -4.38 0.30 -0.19 2.98 0.00 -1.26 -3.75 120.64 114.34 3h1k n GLU 84 Ca 0.10 -0.16 0.10 0.00 0.00 0.00 0.00 57.16 57.20 3h1k n GLU 84 Cb 0.31 -1.50 0.19 0.00 0.00 0.00 0.00 31.44 30.45 3h1k n GLU 84 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3h1k n GLU 85 N -1.21 2.36 -2.73 3.44 1.02 0.34 -4.92 120.64 118.93 3h1k n GLU 85 Ca 0.08 -2.16 -0.42 0.00 -0.02 0.00 0.00 57.16 54.64 3h1k n GLU 85 Cb 0.33 -1.44 -0.03 0.00 -0.02 0.00 0.00 31.44 30.29 3h1k n GLU 85 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3h1k s ASP 86 N -1.27 7.13 -0.30 1.62 -1.08 -1.03 -4.82 116.67 116.92 3h1k s ASP 86 Ca 0.34 1.40 -0.17 0.00 -0.52 0.00 0.00 52.55 53.59 3h1k s ASP 86 Cb 0.19 -2.53 -0.02 0.00 -1.46 0.00 0.00 42.92 39.11 3h1k s ASP 86 CO 0.27 -0.50 0.47 -0.54 0.52 0.00 0.00 175.17 175.38 3h1k s LYS 87 N 2.41 3.87 -1.08 4.34 -0.14 -1.26 -4.95 119.74 122.93 3h1k s LYS 87 Ca 0.44 0.04 -0.08 0.00 -1.36 0.00 0.00 55.97 55.02 3h1k s LYS 87 Cb -0.17 -3.72 -0.09 0.00 -1.68 0.00 0.00 37.83 32.17 3h1k s LYS 87 CO 0.13 -0.44 3.04 -0.35 -0.76 0.00 0.00 175.35 176.96 3h1k n PRO 88 N 5.55 3.31 0.00 -1.68 -0.04 -1.26 -4.73 135.00 136.16 3h1k n PRO 88 Ca -0.06 -2.10 0.23 0.00 -0.04 0.00 0.00 63.50 61.54 3h1k n PRO 88 Cb 0.50 -2.52 0.71 0.00 -0.04 0.00 0.00 33.50 32.15 3h1k n PRO 88 CO 0.00 0.00 0.00 0.10 -0.04 0.00 0.00 175.50 175.56 3h1k h TYR 89 N 4.28 0.00 0.00 0.54 -0.00 -1.98 -2.98 116.97 116.82 3h1k h TYR 89 Ca 0.64 0.00 -0.35 0.00 0.00 0.00 0.00 58.73 59.02 3h1k h TYR 89 Cb 0.63 0.00 -0.07 0.00 0.00 0.00 0.00 36.73 37.30 3h1k h TYR 89 CO 1.79 0.00 -2.32 -0.11 -0.00 0.00 0.00 178.16 177.52 3h1k n LEU 90 N -3.76 0.54 -0.33 0.10 7.94 -1.26 -4.64 117.00 115.60 3h1k n LEU 90 Ca 0.11 -0.02 -0.08 0.00 -1.11 0.00 0.00 56.01 54.91 3h1k n LEU 90 Cb 0.79 0.23 -0.08 0.00 0.53 0.00 0.00 43.42 44.90 3h1k n LEU 90 CO 0.29 0.55 0.37 1.21 -1.11 0.00 0.00 177.39 178.71 3h1k n GLU 91 N -2.80 -0.34 -0.02 1.96 2.13 -1.13 -0.47 120.64 119.97 3h1k n GLU 91 Ca -0.33 1.17 -0.11 0.00 0.66 0.00 0.00 57.16 58.55 3h1k n GLU 91 Cb 1.09 -1.73 -0.05 0.00 0.27 0.00 0.00 31.44 31.03 3h1k n GLU 91 CO 0.00 0.00 0.00 -1.35 -0.41 0.00 0.00 177.13 175.37 3h1k h PRO 92 N 0.00 -0.41 -0.96 5.31 0.11 -1.82 0.15 132.00 134.38 3h1k h PRO 92 Ca 0.13 0.03 0.14 0.00 0.11 0.00 0.00 66.00 66.40 3h1k h PRO 92 Cb 0.32 0.09 -0.08 0.00 0.11 0.00 0.00 31.00 31.44 3h1k h PRO 92 CO -0.73 -0.27 0.61 1.88 -0.21 0.00 0.00 178.00 179.27 3h1k h TYR 93 N -0.42 1.00 0.00 0.65 -1.99 -1.24 -2.82 116.97 112.15 3h1k h TYR 93 Ca 0.10 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.86 3h1k h TYR 93 Cb 0.59 -0.31 0.00 0.00 2.00 0.00 0.00 36.73 39.01 3h1k h TYR 93 CO -0.48 0.36 0.00 -0.11 -0.00 0.00 0.00 178.16 177.93 3h1k n LEU 94 N -4.61 0.03 -0.27 3.88 7.94 0.38 -2.73 117.00 121.61 3h1k n LEU 94 Ca 0.19 0.86 0.05 0.00 -1.11 0.00 0.00 56.01 56.00 3h1k n LEU 94 Cb 0.43 -0.48 0.12 0.00 0.53 0.00 0.00 43.42 44.02 3h1k n LEU 94 CO 0.27 -0.48 0.51 0.29 -1.11 0.00 0.00 177.39 176.87 3h1k n LYS 95 N -1.95 -0.07 -0.12 1.96 5.02 0.30 0.12 118.16 123.43 3h1k n LYS 95 Ca 0.00 1.17 -0.05 0.00 -2.02 0.00 0.00 58.31 57.42 3h1k n LYS 95 Cb 0.00 -1.76 0.03 0.00 -0.02 0.00 0.00 35.03 33.28 3h1k n LYS 95 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 3h1k h GLU 96 N 0.00 0.16 0.03 1.97 4.57 -1.55 0.49 114.58 120.24 3h1k h GLU 96 Ca 0.37 -0.01 0.03 0.00 -1.18 0.00 0.00 59.36 58.57 3h1k h GLU 96 Cb 0.58 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 29.09 3h1k h GLU 96 CO -0.77 0.11 -0.29 0.28 -1.18 0.00 0.00 179.01 177.16 3h1k h VAL 97 N 0.16 0.36 -0.45 0.32 2.07 0.12 0.78 116.25 119.61 3h1k h VAL 97 Ca 0.19 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.81 3h1k h VAL 97 Cb 0.25 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 3h1k h VAL 97 CO -0.28 0.00 0.31 0.40 0.02 0.00 0.00 177.57 178.02 3h1k h ILE 98 N -0.45 0.87 -0.01 4.57 2.04 -0.07 0.55 117.51 125.01 3h1k h ILE 98 Ca 0.05 -0.07 -0.07 0.00 1.00 0.00 0.00 64.86 65.77 3h1k h ILE 98 Cb 0.52 0.65 0.01 0.00 -0.74 0.00 0.00 36.82 37.26 3h1k h ILE 98 CO -0.23 0.04 -0.28 -0.09 0.00 0.00 0.00 178.15 177.59 3h1k h ARG 99 N 0.21 0.21 -0.41 2.37 2.43 0.23 -0.44 114.38 118.98 3h1k h ARG 99 Ca 0.21 -0.21 0.08 0.00 -0.81 0.00 0.00 59.98 59.24 3h1k h ARG 99 Cb 0.56 0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 30.10 3h1k h ARG 99 CO -0.04 0.93 -0.01 0.93 -1.51 0.00 0.00 179.97 180.27 3h1k h GLU 100 N -0.42 0.09 0.36 0.20 5.08 0.13 0.70 114.58 120.73 3h1k h GLU 100 Ca -0.03 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 3h1k h GLU 100 Cb 1.02 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.25 3h1k h GLU 100 CO 0.06 0.06 -0.17 -0.09 -1.00 0.00 0.00 179.01 177.87 3h1k h ARG 101 N 0.10 -0.46 -1.04 2.33 2.43 -0.97 -1.79 114.38 114.98 3h1k h ARG 101 Ca 0.20 0.03 0.27 0.00 -0.81 0.00 0.00 59.98 59.68 3h1k h ARG 101 Cb 0.29 0.11 -0.08 0.00 -0.42 0.00 0.00 29.97 29.86 3h1k h ARG 101 CO -0.34 -0.21 0.69 1.25 -1.51 0.00 0.00 179.97 179.85 3h1k h LEU 102 N -0.65 0.33 0.13 3.80 6.46 -0.61 0.85 115.31 125.62 3h1k h LEU 102 Ca -0.05 0.06 -0.01 0.00 -0.12 0.00 0.00 57.88 57.76 3h1k h LEU 102 Cb 0.47 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.40 3h1k h LEU 102 CO 0.08 0.07 -0.06 -0.08 -0.62 0.00 0.00 178.44 177.83 3h1k h GLU 103 N 0.30 -0.17 -0.97 1.25 4.81 -0.43 -2.84 114.58 116.52 3h1k h GLU 103 Ca 0.56 0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.90 3h1k h GLU 103 Cb 1.62 0.04 -0.12 0.00 0.63 0.00 0.00 28.75 30.92 3h1k h GLU 103 CO -0.21 -0.12 -0.55 0.54 -0.73 0.00 0.00 179.01 177.94 3h1k n ARG 104 N -2.64 -0.40 -0.26 1.92 1.74 -0.55 -1.43 116.66 115.03 3h1k n ARG 104 Ca -0.02 1.47 -0.08 0.00 -0.77 0.00 0.00 57.85 58.45 3h1k n ARG 104 Cb 0.07 -2.16 -0.04 0.00 -1.02 0.00 0.00 32.46 29.32 3h1k n ARG 104 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 3h1k h GLU 105 N 0.00 -0.16 0.00 5.56 5.08 -0.95 0.83 114.58 124.93 3h1k h GLU 105 Ca 0.18 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 3h1k h GLU 105 Cb 0.42 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.70 3h1k h GLU 105 CO -0.92 -0.11 0.00 0.00 -1.00 0.00 0.00 179.01 176.98 3h1k h ALA 106 N 0.69 1.00 0.00 3.43 0.00 -0.99 -2.50 119.26 120.90 3h1k h ALA 106 Ca 0.20 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.99 3h1k h ALA 106 Cb 0.55 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3h1k h ALA 106 CO -0.76 0.00 -0.94 2.35 0.00 0.00 0.00 179.25 179.89 3h1k h TRP 107 N 0.00 0.00 0.00 0.00 2.91 -0.06 -3.30 115.95 115.51 3h1k h TRP 107 Ca 0.00 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.02 3h1k h TRP 107 Cb 0.31 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 28.96 3h1k h TRP 107 CO 0.00 0.44 0.00 0.09 -1.03 0.00 0.00 178.44 177.94 3h1k n ASN 108 N -3.00 0.00 -0.11 2.65 3.02 -0.78 -3.56 115.26 113.48 3h1k n ASN 108 Ca -0.03 -1.12 -0.21 0.00 -0.03 0.00 0.00 54.58 53.18 3h1k n ASN 108 Cb 0.75 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.81 3h1k n ASN 108 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3h1k n LYS 109 N -0.93 0.56 0.00 3.52 5.02 -1.24 -5.12 118.16 119.96 3h1k n LYS 109 Ca 0.20 0.52 0.00 0.00 -2.02 0.00 0.00 58.31 57.02 3h1k n LYS 109 Cb 0.09 -1.70 0.00 0.00 -0.02 0.00 0.00 35.03 33.40 3h1k n LYS 109 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05