#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 0.54 0.14 1.61 1.74 -1.26 -4.17 116.66 115.26 3h1k n ARG 11 Ca 0.00 0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 56.91 3h1k n ARG 11 Cb 0.00 -1.22 -0.10 0.00 -1.02 0.00 0.00 32.46 30.12 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 0.37 -1.53 -0.10 0.55 5.85 -2.05 -0.74 115.31 117.66 3h1k h LEU 12 Ca 0.00 0.16 0.02 0.00 0.84 0.00 0.00 57.88 58.89 3h1k h LEU 12 Cb 0.22 0.56 -0.03 0.00 0.37 0.00 0.00 40.66 41.78 3h1k h LEU 12 CO 0.00 -0.57 -0.23 0.24 -0.34 0.00 0.00 178.44 177.54 3h1k h MET 13 N -0.79 -0.20 -0.72 1.25 2.86 -2.00 -1.02 114.93 114.31 3h1k h MET 13 Ca -0.01 0.01 0.16 0.00 -2.06 0.00 0.00 59.70 57.80 3h1k h MET 13 Cb 0.78 0.05 -0.13 0.00 0.06 0.00 0.00 31.60 32.35 3h1k h MET 13 CO -0.25 -0.13 -0.05 0.22 1.06 0.00 0.00 176.91 177.76 3h1k h ASP 14 N -0.21 -0.43 -0.68 1.22 1.82 -1.85 0.48 116.42 116.76 3h1k h ASP 14 Ca 0.02 0.19 0.13 0.00 -0.39 0.00 0.00 57.03 56.99 3h1k h ASP 14 Cb 0.26 0.36 -0.10 0.00 0.68 0.00 0.00 39.33 40.54 3h1k h ASP 14 CO -0.21 -0.19 0.19 0.03 -1.61 0.00 0.00 179.24 177.46 3h1k h ARG 15 N 0.07 0.31 0.61 0.28 3.08 -0.35 -0.69 114.38 117.68 3h1k h ARG 15 Ca 0.38 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.38 3h1k h ARG 15 Cb 0.63 -0.07 0.01 0.00 0.08 0.00 0.00 29.97 30.62 3h1k h ARG 15 CO -0.66 0.20 -0.29 0.82 -1.07 0.00 0.00 179.97 178.97 3h1k h ILE 16 N 0.32 0.00 -0.96 2.04 2.04 0.11 -0.88 117.51 120.18 3h1k h ILE 16 Ca 0.37 -0.15 0.31 0.00 1.00 0.00 0.00 64.86 66.39 3h1k h ILE 16 Cb 0.58 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.50 3h1k h ILE 16 CO -0.43 0.00 0.41 0.03 0.00 0.00 0.00 178.15 178.16 3h1k h ARG 17 N -0.97 0.20 -0.36 2.37 3.08 -0.75 0.85 114.38 118.79 3h1k h ARG 17 Ca -0.08 -0.01 -0.09 0.00 0.07 0.00 0.00 59.98 59.86 3h1k h ARG 17 Cb 0.63 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 3h1k h ARG 17 CO 0.14 0.13 -0.14 -0.22 -1.07 0.00 0.00 179.97 178.81 3h1k h LYS 18 N 0.21 0.73 0.00 0.04 3.64 -1.06 -0.77 116.57 119.36 3h1k h LYS 18 Ca 0.69 -0.31 0.00 0.00 -1.27 0.00 0.00 60.65 59.76 3h1k h LYS 18 Cb 1.56 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.35 3h1k h LYS 18 CO -0.68 0.91 0.00 1.87 -2.27 0.00 0.00 179.45 179.28 3h1k n TRP 19 N -4.33 0.00 -0.29 1.91 -0.00 0.28 -2.15 117.44 112.85 3h1k n TRP 19 Ca -0.02 0.00 0.20 0.00 -0.00 0.00 0.00 57.50 57.68 3h1k n TRP 19 Cb 0.38 -0.26 0.38 0.00 -0.00 0.00 0.00 31.31 31.81 3h1k n TRP 19 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 177.69 178.67 3h1k n TYR 20 N -1.45 0.78 -0.24 5.87 9.36 0.02 0.17 117.16 131.66 3h1k n TYR 20 Ca 0.00 1.04 0.03 0.00 3.32 0.00 0.00 57.90 62.30 3h1k n TYR 20 Cb 0.00 -1.29 0.16 0.00 -0.63 0.00 0.00 39.34 37.58 3h1k n TYR 20 CO 0.00 0.00 0.00 -0.92 0.22 0.00 0.00 176.86 176.16 3h1k h TYR 21 N 0.00 0.49 0.00 2.98 3.20 -0.75 0.49 116.97 123.38 3h1k h TYR 21 Ca 0.63 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 62.49 3h1k h TYR 21 Cb 1.51 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 39.66 3h1k h TYR 21 CO -0.24 0.09 -0.22 -0.91 -1.64 0.00 0.00 178.16 175.24 3h1k h ASN 22 N 0.45 0.00 0.17 -2.11 2.35 0.22 -2.76 115.58 113.89 3h1k h ASN 22 Ca 0.38 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.12 3h1k h ASN 22 Cb 0.53 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.90 3h1k h ASN 22 CO -0.37 0.19 -0.08 0.00 -1.65 0.00 0.00 177.43 175.52 3h1k h ALA 23 N 1.81 -0.23 -0.61 -0.83 0.00 0.30 -3.09 119.26 116.62 3h1k h ALA 23 Ca -0.00 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 3h1k h ALA 23 Cb 1.15 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 3h1k h ALA 23 CO 0.02 -0.46 0.20 0.00 0.00 0.00 0.00 179.25 179.02 3h1k h ALA 24 N 0.19 1.22 -6.12 0.00 0.00 -0.31 -3.48 119.26 110.77 3h1k h ALA 24 Ca -0.02 -0.18 -0.41 0.00 0.00 0.00 0.00 54.91 54.29 3h1k h ALA 24 Cb 0.42 -0.24 0.07 0.00 0.00 0.00 0.00 17.79 18.04 3h1k h ALA 24 CO 0.04 0.56 -0.89 0.41 0.00 0.00 0.00 179.25 179.37 3h1k n GLY 25 N -0.93 -0.68 0.12 0.00 0.00 -1.04 -4.88 105.19 97.77 3h1k n GLY 25 Ca 0.05 0.32 0.12 0.00 0.00 0.00 0.00 46.02 46.51 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 -4.12 0.00 -0.14 1.61 1.16 -1.26 -3.45 117.46 111.26 3h1k n PHE 26 Ca -0.19 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.29 3h1k n PHE 26 Cb 0.64 -0.15 -0.01 0.00 -1.61 0.00 0.00 39.48 38.34 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 0.57 0.72 -1.50 5.98 -1.07 -1.88 -1.88 115.58 116.52 3h1k h ASN 27 Ca 0.00 -0.32 0.44 0.00 0.07 0.00 0.00 56.30 56.49 3h1k h ASN 27 Cb 0.53 -0.19 -0.07 0.00 -2.07 0.00 0.00 38.32 36.51 3h1k h ASN 27 CO 0.00 0.86 1.06 0.11 0.07 0.00 0.00 177.43 179.53 3h1k h LYS 28 N 0.56 0.03 0.00 4.14 1.57 -1.90 4.10 116.57 125.07 3h1k h LYS 28 Ca 0.11 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3h1k h LYS 28 Cb 0.50 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.80 3h1k h LYS 28 CO 0.02 0.02 -0.44 0.66 -0.57 0.00 0.00 179.45 179.15 3h1k n TYR 29 N -4.17 0.02 -0.71 -1.35 4.02 -0.77 -0.91 117.16 113.29 3h1k n TYR 29 Ca 0.34 0.01 0.00 0.00 -0.01 0.00 0.00 57.90 58.24 3h1k n TYR 29 Cb 1.54 -0.30 0.00 0.00 -0.02 0.00 0.00 39.34 40.56 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 1.49 0.70 3.95 2.72 0.00 1.35 -4.44 105.19 110.97 3h1k n GLY 30 Ca 0.06 -0.64 -0.24 0.00 0.00 0.00 0.00 46.02 45.20 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 3.09 0.14 0.99 1.43 -0.80 -4.94 118.68 118.59 3h1k s LEU 31 Ca 0.00 0.29 0.09 0.00 -1.03 0.00 0.00 54.13 53.48 3h1k s LEU 31 Cb 0.00 -3.06 -0.04 0.00 0.03 0.00 0.00 46.19 43.12 3h1k s LEU 31 CO 0.00 -1.31 -0.14 -0.04 0.23 0.00 0.00 176.35 175.10 3h1k s MET 32 N -4.99 1.93 0.12 1.70 -1.94 -1.26 -4.40 119.30 110.47 3h1k s MET 32 Ca 0.58 -1.19 -0.25 0.00 -1.71 0.00 0.00 55.69 53.11 3h1k s MET 32 Cb -0.11 -2.16 -0.07 0.00 2.01 0.00 0.00 34.83 34.51 3h1k s MET 32 CO 0.42 0.47 1.44 -0.09 -0.01 0.00 0.00 175.02 177.24 3h1k h ARG 33 N 3.42 -0.09 0.00 2.03 2.43 -1.95 0.46 114.38 120.67 3h1k h ARG 33 Ca -0.48 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 3h1k h ARG 33 Cb 1.18 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 3h1k h ARG 33 CO 0.50 -0.06 0.00 -0.25 -1.51 0.00 0.00 179.97 178.65 3h1k n ASP 34 N -4.82 0.00 -0.03 -3.80 9.92 -1.26 -1.66 116.55 114.91 3h1k n ASP 34 Ca 0.00 0.13 -0.16 0.00 -0.53 0.00 0.00 54.79 54.24 3h1k n ASP 34 Cb 0.23 -0.20 -0.13 0.00 -0.64 0.00 0.00 41.12 40.38 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 0.19 0.00 -2.24 3.32 -0.46 -3.22 116.42 114.01 3h1k h ASP 35 Ca 0.00 -0.90 0.00 0.00 0.02 0.00 0.00 57.03 56.15 3h1k h ASP 35 Cb 0.02 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.51 3h1k h ASP 35 CO 0.00 1.07 0.01 0.35 -1.72 0.00 0.00 179.24 178.94 3h1k n THR 36 N -4.47 1.79 -1.67 0.35 -2.24 -0.66 -4.77 114.28 102.61 3h1k n THR 36 Ca -0.11 0.55 -0.45 0.00 -2.27 0.00 0.00 64.05 61.76 3h1k n THR 36 Cb 0.56 -1.55 -0.04 0.00 -2.10 0.00 0.00 70.33 67.21 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 -1.64 3.20 -4.73 3.22 4.77 -1.22 -4.90 117.00 115.70 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 0.01 -1.44 -0.03 0.00 -2.33 0.00 0.00 43.42 39.63 3h1k n LEU 37 CO 0.02 -0.24 1.00 -0.47 -1.33 0.00 0.00 177.39 176.37 3h1k s TYR 38 N 0.89 3.26 -1.33 -1.77 5.04 -1.26 -4.91 117.35 117.26 3h1k s TYR 38 Ca 0.78 1.15 -0.17 0.00 -2.44 0.00 0.00 57.07 56.39 3h1k s TYR 38 Cb -0.66 -3.62 0.04 0.00 0.35 0.00 0.00 41.96 38.08 3h1k s TYR 38 CO 0.38 -1.99 1.96 0.39 -1.34 0.00 0.00 175.55 174.95 3h1k n GLU 39 N 3.02 2.90 -1.93 4.97 1.02 -1.26 -4.81 120.64 124.55 3h1k n GLU 39 Ca 0.08 -2.90 -0.30 0.00 -0.02 0.00 0.00 57.16 54.02 3h1k n GLU 39 Cb 0.43 -3.40 0.17 0.00 -0.02 0.00 0.00 31.44 28.62 3h1k n GLU 39 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 3h1k s ASP 40 N 3.96 3.28 0.25 1.62 -4.77 -1.26 -4.64 116.67 115.11 3h1k s ASP 40 Ca 0.52 0.32 -0.04 0.00 -3.30 0.00 0.00 52.55 50.05 3h1k s ASP 40 Cb 0.08 -0.42 0.49 0.00 -1.09 0.00 0.00 42.92 41.98 3h1k s ASP 40 CO 0.02 -2.63 1.68 0.44 0.70 0.00 0.00 175.17 175.37 3h1k h ASP 41 N -1.57 0.01 0.01 2.11 5.19 -1.99 0.24 116.42 120.43 3h1k h ASP 41 Ca -0.45 0.15 -0.00 0.00 -0.62 0.00 0.00 57.03 56.12 3h1k h ASP 41 Cb 1.25 0.20 -0.00 0.00 0.18 0.00 0.00 39.33 40.96 3h1k h ASP 41 CO 0.41 -0.05 -0.01 0.44 -3.12 0.00 0.00 179.24 176.92 3h1k h ASP 42 N 0.27 -0.02 -0.92 6.45 3.45 -1.97 -2.08 116.42 121.61 3h1k h ASP 42 Ca 0.43 0.00 0.23 0.00 0.43 0.00 0.00 57.03 58.12 3h1k h ASP 42 Cb 0.75 0.01 -0.17 0.00 -0.56 0.00 0.00 39.33 39.35 3h1k h ASP 42 CO -0.52 -0.01 -0.03 0.58 -1.57 0.00 0.00 179.24 177.69 3h1k h VAL 43 N -0.02 0.12 -0.88 -1.35 2.07 -1.82 0.75 116.25 115.12 3h1k h VAL 43 Ca -0.00 -0.01 0.22 0.00 0.82 0.00 0.00 66.70 67.72 3h1k h VAL 43 Cb 0.01 0.08 -0.13 0.00 -1.52 0.00 0.00 31.29 29.74 3h1k h VAL 43 CO 0.00 0.01 0.36 0.11 0.02 0.00 0.00 177.57 178.07 3h1k h LYS 44 N 0.04 0.36 0.49 1.57 1.79 -0.69 -1.22 116.57 118.90 3h1k h LYS 44 Ca 0.52 -0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 58.94 3h1k h LYS 44 Cb 0.98 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.55 3h1k h LYS 44 CO -0.86 0.24 -0.23 1.49 -1.08 0.00 0.00 179.45 179.01 3h1k h GLU 45 N 0.37 -0.63 -0.61 3.15 4.57 0.12 -3.23 114.58 118.31 3h1k h GLU 45 Ca 0.55 0.04 0.08 0.00 -1.18 0.00 0.00 59.36 58.85 3h1k h GLU 45 Cb 1.05 0.14 -0.10 0.00 -0.16 0.00 0.00 28.75 29.67 3h1k h GLU 45 CO -0.54 -0.36 -0.48 0.00 -1.18 0.00 0.00 179.01 176.45 3h1k h ALA 46 N -0.97 -0.45 -1.09 2.92 0.00 -0.63 0.79 119.26 119.83 3h1k h ALA 46 Ca -0.07 0.09 0.34 0.00 0.00 0.00 0.00 54.91 55.27 3h1k h ALA 46 Cb 0.56 1.06 -0.13 0.00 0.00 0.00 0.00 17.79 19.28 3h1k h ALA 46 CO 0.11 -0.89 0.66 -0.07 0.00 0.00 0.00 179.25 179.06 3h1k h LEU 47 N -0.23 0.44 -1.47 0.00 3.38 -1.35 0.72 115.31 116.79 3h1k h LEU 47 Ca 0.16 0.15 -0.06 0.00 0.09 0.00 0.00 57.88 58.23 3h1k h LEU 47 Cb 0.55 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 3h1k h LEU 47 CO -0.71 -0.09 -0.27 0.11 0.09 0.00 0.00 178.44 177.57 3h1k h LYS 48 N 0.28 0.00 0.00 1.13 1.57 -0.86 -2.57 116.57 116.13 3h1k h LYS 48 Ca 0.72 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 59.44 3h1k h LYS 48 Cb 1.86 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.16 3h1k h LYS 48 CO -0.49 0.27 -0.29 0.00 -0.57 0.00 0.00 179.45 178.37 3h1k h ARG 49 N 0.00 0.00 -6.39 3.15 3.08 0.63 -3.47 114.38 111.38 3h1k h ARG 49 Ca -0.00 0.00 -0.63 0.00 0.07 0.00 0.00 59.98 59.41 3h1k h ARG 49 Cb 0.48 0.00 0.08 0.00 0.08 0.00 0.00 29.97 30.61 3h1k h ARG 49 CO 0.03 0.29 0.38 1.28 -1.07 0.00 0.00 179.97 180.89 3h1k n LEU 50 N -3.22 1.96 -4.73 3.04 4.77 -0.97 -4.87 117.00 112.98 3h1k n LEU 50 Ca 0.02 1.14 -0.42 0.00 -0.03 0.00 0.00 56.01 56.72 3h1k n LEU 50 Cb 0.60 -1.27 -0.02 0.00 -2.33 0.00 0.00 43.42 40.40 3h1k n LEU 50 CO 0.37 -1.06 1.29 -2.84 -1.33 0.00 0.00 177.39 173.82 3h1k s PRO 51 N -0.28 4.15 0.00 3.23 0.02 -1.26 -4.67 135.00 136.19 3h1k s PRO 51 Ca 0.73 2.54 0.00 0.00 0.02 0.00 0.00 61.00 64.29 3h1k s PRO 51 Cb -0.81 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 30.64 3h1k s PRO 51 CO 0.51 -0.67 0.00 -1.91 -0.33 0.00 0.00 177.00 174.60 3h1k n GLU 52 N 3.26 0.00 -0.01 5.54 4.07 -1.26 -1.25 120.64 130.99 3h1k n GLU 52 Ca 0.12 0.00 -0.08 0.00 -0.06 0.00 0.00 57.16 57.14 3h1k n GLU 52 Cb 0.37 0.00 -0.05 0.00 -0.06 0.00 0.00 31.44 31.70 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 -0.91 -1.06 4.31 3.04 -1.99 0.16 116.42 119.97 3h1k h ASP 53 Ca 0.00 0.11 0.28 0.00 -3.24 0.00 0.00 57.03 54.18 3h1k h ASP 53 Cb 0.00 0.36 -0.09 0.00 -1.04 0.00 0.00 39.33 38.55 3h1k h ASP 53 CO 0.00 -0.26 0.69 -0.07 -2.04 0.00 0.00 179.24 177.56 3h1k h LEU 54 N -0.31 0.40 0.14 0.15 3.38 -1.53 -0.43 115.31 117.11 3h1k h LEU 54 Ca 0.02 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3h1k h LEU 54 Cb 0.36 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3h1k h LEU 54 CO -0.23 0.06 -0.07 0.22 0.09 0.00 0.00 178.44 178.52 3h1k h TYR 55 N 0.35 -0.17 -0.43 1.13 3.20 -0.91 -1.99 116.97 118.15 3h1k h TYR 55 Ca 0.60 -0.00 0.12 0.00 3.14 0.00 0.00 58.73 62.59 3h1k h TYR 55 Cb 1.61 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 39.92 3h1k h TYR 55 CO -0.00 0.29 0.31 -0.91 -1.64 0.00 0.00 178.16 176.20 3h1k h ASN 56 N -0.75 0.02 0.15 -2.11 2.35 0.45 -0.68 115.58 115.01 3h1k h ASN 56 Ca -0.02 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.72 3h1k h ASN 56 Cb 0.53 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.90 3h1k h ASN 56 CO 0.03 0.01 -0.07 -0.33 -1.65 0.00 0.00 177.43 175.42 3h1k h GLU 57 N 0.02 -0.19 -0.86 0.81 5.08 -1.13 -3.02 114.58 115.29 3h1k h GLU 57 Ca 0.20 0.01 0.22 0.00 -1.00 0.00 0.00 59.36 58.80 3h1k h GLU 57 Cb 0.79 0.04 -0.13 0.00 0.50 0.00 0.00 28.75 29.95 3h1k h GLU 57 CO -0.01 0.25 0.25 -0.09 -1.00 0.00 0.00 179.01 178.41 3h1k h ARG 58 N -0.85 0.24 0.03 2.33 1.12 -0.55 -2.00 114.38 114.69 3h1k h ARG 58 Ca -0.02 -0.01 -0.00 0.00 -1.11 0.00 0.00 59.98 58.83 3h1k h ARG 58 Cb 0.53 -0.05 -0.00 0.00 -0.01 0.00 0.00 29.97 30.44 3h1k h ARG 58 CO 0.03 0.16 -0.04 1.98 -3.11 0.00 0.00 179.97 178.99 3h1k h MET 59 N 0.25 -0.06 -0.83 0.20 4.05 -1.17 -2.78 114.93 114.59 3h1k h MET 59 Ca 0.53 0.00 0.14 0.00 -0.28 0.00 0.00 59.70 60.10 3h1k h MET 59 Cb 1.04 0.01 -0.15 0.00 -0.80 0.00 0.00 31.60 31.70 3h1k h MET 59 CO -0.61 -0.04 -0.32 0.35 0.23 0.00 0.00 176.91 176.52 3h1k h PHE 60 N -0.07 -0.83 -0.88 1.39 3.57 -1.31 0.16 116.94 118.98 3h1k h PHE 60 Ca -0.00 0.09 0.18 0.00 3.53 0.00 0.00 57.97 61.77 3h1k h PHE 60 Cb 0.06 0.49 -0.17 0.00 2.79 0.00 0.00 35.95 39.12 3h1k h PHE 60 CO -0.17 -0.39 -0.19 0.00 -2.23 0.00 0.00 178.31 175.33 3h1k h ARG 61 N -0.05 0.01 0.34 1.11 3.08 -1.29 1.19 114.38 118.77 3h1k h ARG 61 Ca 0.33 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.37 3h1k h ARG 61 Cb 0.59 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.65 3h1k h ARG 61 CO -0.86 0.00 -0.16 0.82 -1.07 0.00 0.00 179.97 178.70 3h1k h ILE 62 N 0.01 0.61 -0.75 2.04 2.04 -0.48 0.10 117.51 121.07 3h1k h ILE 62 Ca 0.44 -0.62 0.18 0.00 1.00 0.00 0.00 64.86 65.85 3h1k h ILE 62 Cb 0.69 0.89 -0.04 0.00 -0.74 0.00 0.00 36.82 37.61 3h1k h ILE 62 CO -0.90 0.11 0.51 0.50 0.00 0.00 0.00 178.15 178.38 3h1k h LYS 63 N -0.83 0.25 0.09 2.37 3.64 0.10 0.39 116.57 122.58 3h1k h LYS 63 Ca -0.05 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 3h1k h LYS 63 Cb 0.52 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 3h1k h LYS 63 CO 0.08 0.17 -0.04 -0.09 -2.27 0.00 0.00 179.45 177.29 3h1k h ARG 64 N 0.26 -0.11 -0.71 1.90 2.43 0.16 -2.74 114.38 115.57 3h1k h ARG 64 Ca 0.37 0.01 0.10 0.00 -0.81 0.00 0.00 59.98 59.65 3h1k h ARG 64 Cb 1.07 0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 30.57 3h1k h ARG 64 CO -0.09 0.29 0.34 0.00 -1.51 0.00 0.00 179.97 179.01 3h1k h ALA 65 N 0.31 0.98 0.30 2.80 0.00 0.21 -1.14 119.26 122.71 3h1k h ALA 65 Ca -0.01 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3h1k h ALA 65 Cb 0.46 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3h1k h ALA 65 CO 0.02 -0.07 -0.15 -0.07 0.00 0.00 0.00 179.25 178.98 3h1k h LEU 66 N 0.57 -0.36 -1.65 0.00 3.38 -0.43 -0.02 115.31 116.81 3h1k h LEU 66 Ca 0.35 0.01 0.24 0.00 0.09 0.00 0.00 57.88 58.58 3h1k h LEU 66 Cb 0.40 0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.18 3h1k h LEU 66 CO -0.28 -0.25 0.64 -0.78 0.09 0.00 0.00 178.44 177.85 3h1k h ASP 67 N -0.41 0.28 0.08 -0.43 1.82 -1.09 0.32 116.42 116.98 3h1k h ASP 67 Ca -0.04 0.04 -0.00 0.00 -0.39 0.00 0.00 57.03 56.63 3h1k h ASP 67 Cb 0.32 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.32 3h1k h ASP 67 CO 0.07 0.09 -0.04 -0.07 -1.61 0.00 0.00 179.24 177.68 3h1k h LEU 68 N 0.26 -0.09 -1.19 2.28 3.38 -0.20 -2.23 115.31 117.53 3h1k h LEU 68 Ca 0.49 0.00 0.43 0.00 0.09 0.00 0.00 57.88 58.88 3h1k h LEU 68 Cb 1.45 0.02 -0.15 0.00 0.09 0.00 0.00 40.66 42.07 3h1k h LEU 68 CO -0.14 -0.04 0.70 -1.28 0.09 0.00 0.00 178.44 177.77 3h1k h SER 69 N -0.16 0.30 -0.34 -0.43 0.87 0.38 1.94 113.55 116.12 3h1k h SER 69 Ca -0.01 0.20 -0.14 0.00 -1.23 0.00 0.00 61.79 60.60 3h1k h SER 69 Cb 0.08 0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.22 3h1k h SER 69 CO 0.02 -0.29 -0.33 0.17 -0.53 0.00 0.00 176.83 175.87 3h1k h LEU 70 N 0.06 0.92 -0.87 2.23 8.10 -0.45 -2.77 115.31 122.52 3h1k h LEU 70 Ca 0.84 -0.39 -0.05 0.00 0.11 0.00 0.00 57.88 58.39 3h1k h LEU 70 Cb 2.40 -0.26 -0.01 0.00 -0.44 0.00 0.00 40.66 42.35 3h1k h LEU 70 CO -0.59 1.16 -0.23 0.11 -4.11 0.00 0.00 178.44 174.77 3h1k h LYS 71 N 0.73 0.00 -2.33 0.17 1.57 0.35 -3.47 116.57 113.59 3h1k h LYS 71 Ca 0.07 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.76 3h1k h LYS 71 Cb 0.89 0.00 0.04 0.00 0.08 0.00 0.00 32.23 33.24 3h1k h LYS 71 CO 0.08 0.23 -0.18 0.72 -0.57 0.00 0.00 179.45 179.74 3h1k n HIS 72 N -3.32 -0.71 -4.22 -1.35 8.25 0.13 -5.05 115.22 108.96 3h1k n HIS 72 Ca 0.01 0.26 -0.12 0.00 -0.26 0.00 0.00 57.72 57.61 3h1k n HIS 72 Cb 0.48 -2.13 -0.04 0.00 1.12 0.00 0.00 29.99 29.42 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 -1.67 0.57 -2.92 -0.41 5.12 -1.19 -5.02 116.66 111.15 3h1k n ARG 73 Ca -0.01 -1.72 -0.08 0.00 -1.93 0.00 0.00 57.85 54.11 3h1k n ARG 73 Cb 0.52 1.09 -0.02 0.00 -1.16 0.00 0.00 32.46 32.89 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 -0.41 0.00 -3.07 0.55 -5.35 -1.26 -4.27 119.36 105.54 3h1k n ILE 74 Ca -0.01 -1.01 -0.32 0.00 -0.27 0.00 0.00 62.75 61.15 3h1k n ILE 74 Cb 0.31 0.60 -0.05 0.00 -1.74 0.00 0.00 39.64 38.76 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 4.00 0.27 7.28 1.43 -0.08 -5.00 118.68 126.58 3h1k s LEU 75 Ca 0.16 1.23 -0.30 0.00 -1.03 0.00 0.00 54.13 54.20 3h1k s LEU 75 Cb -0.00 -4.06 -0.10 0.00 0.03 0.00 0.00 46.19 42.06 3h1k s LEU 75 CO 0.12 -0.25 1.47 -2.84 0.23 0.00 0.00 176.35 175.08 3h1k s PRO 76 N -3.20 4.23 0.27 1.29 0.02 -1.26 -4.77 135.00 131.57 3h1k s PRO 76 Ca 0.53 2.39 0.19 0.00 0.02 0.00 0.00 61.00 64.13 3h1k s PRO 76 Cb -0.10 -3.08 0.91 0.00 0.02 0.00 0.00 34.50 32.25 3h1k s PRO 76 CO 0.21 -0.47 0.96 1.17 -0.33 0.00 0.00 177.00 178.54 3h1k n LYS 77 N 2.08 -0.02 0.26 5.54 4.81 -1.26 0.12 118.16 129.69 3h1k n LYS 77 Ca 0.06 0.78 0.16 0.00 -0.87 0.00 0.00 58.31 58.44 3h1k n LYS 77 Cb 0.40 -1.52 0.61 0.00 0.02 0.00 0.00 35.03 34.54 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 -3.14 114.58 114.12 3h1k h GLU 78 Ca 0.54 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.40 3h1k h GLU 78 Cb 1.71 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.62 3h1k h GLU 78 CO -0.30 0.00 -0.91 1.04 -1.40 0.00 0.00 179.01 177.43 3h1k n GLN 79 N -3.05 0.24 -0.67 2.33 6.02 0.33 -4.97 117.38 117.61 3h1k n GLN 79 Ca 0.01 -0.15 -0.31 0.00 -0.01 0.00 0.00 57.00 56.54 3h1k n GLN 79 Cb 0.33 -1.49 0.17 0.00 1.02 0.00 0.00 30.24 30.28 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 -1.27 -0.66 -2.77 1.08 8.01 -1.19 -4.85 117.44 115.79 3h1k n TRP 80 Ca 0.05 0.20 -0.26 0.00 -1.31 0.00 0.00 57.50 56.17 3h1k n TRP 80 Cb 0.35 -1.80 -0.00 0.00 -2.01 0.00 0.00 31.31 27.84 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 -2.45 4.82 -0.08 -0.99 1.01 -1.25 -5.01 120.40 116.44 3h1k s VAL 81 Ca 0.62 0.03 0.05 0.00 0.00 0.00 0.00 61.98 62.68 3h1k s VAL 81 Cb -0.21 -3.82 -0.00 0.00 0.00 0.00 0.00 36.38 32.34 3h1k s VAL 81 CO 0.64 -0.75 -0.24 -0.54 0.00 0.00 0.00 175.10 174.21 3h1k s LYS 82 N -4.67 2.87 0.07 2.72 1.02 -1.26 -4.88 119.74 115.60 3h1k s LYS 82 Ca 0.46 -0.88 -0.01 0.00 0.02 0.00 0.00 55.97 55.56 3h1k s LYS 82 Cb -0.10 -2.26 0.12 0.00 -0.52 0.00 0.00 37.83 35.07 3h1k s LYS 82 CO 0.43 0.26 0.36 0.98 -0.92 0.00 0.00 175.35 176.46 3h1k n TYR 83 N 3.29 0.10 1.13 3.18 9.36 -1.26 0.23 117.16 133.19 3h1k n TYR 83 Ca -0.18 0.28 0.13 0.00 3.32 0.00 0.00 57.90 61.44 3h1k n TYR 83 Cb 0.53 -0.64 0.39 0.00 -0.63 0.00 0.00 39.34 38.99 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 -4.30 0.32 -0.15 2.98 0.00 -1.26 -3.60 120.64 114.63 3h1k n GLU 84 Ca 0.04 -0.16 0.10 0.00 0.00 0.00 0.00 57.16 57.14 3h1k n GLU 84 Cb 0.13 -1.50 0.18 0.00 0.00 0.00 0.00 31.44 30.25 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 -1.20 2.28 -2.55 3.44 1.02 0.62 -4.91 120.64 119.34 3h1k n GLU 85 Ca 0.09 -2.10 -0.43 0.00 -0.02 0.00 0.00 57.16 54.71 3h1k n GLU 85 Cb 0.33 -1.44 -0.02 0.00 -0.02 0.00 0.00 31.44 30.28 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 -1.38 7.10 -0.40 1.62 -1.08 -1.02 -4.83 116.67 116.68 3h1k s ASP 86 Ca 0.33 1.63 -0.17 0.00 -0.52 0.00 0.00 52.55 53.82 3h1k s ASP 86 Cb 0.20 -2.55 0.01 0.00 -1.46 0.00 0.00 42.92 39.12 3h1k s ASP 86 CO 0.27 -0.59 0.42 -1.59 0.52 0.00 0.00 175.17 174.20 3h1k s LYS 87 N 2.57 3.24 -0.68 4.34 -2.85 -1.26 -4.96 119.74 120.14 3h1k s LYS 87 Ca 0.51 -0.64 -0.05 0.00 -1.00 0.00 0.00 55.97 54.79 3h1k s LYS 87 Cb -0.21 -3.92 -0.09 0.00 -2.06 0.00 0.00 37.83 31.55 3h1k s LYS 87 CO 0.17 -0.76 2.30 -0.35 0.10 0.00 0.00 175.35 176.80 3h1k n PRO 88 N 5.56 1.96 0.10 1.78 -0.04 -1.26 -4.70 135.00 138.40 3h1k n PRO 88 Ca -0.08 -1.25 0.20 0.00 -0.04 0.00 0.00 63.50 62.33 3h1k n PRO 88 Cb 0.48 -2.27 0.74 0.00 -0.04 0.00 0.00 33.50 32.41 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 5.48 0.00 0.00 0.54 -0.00 -1.98 -3.03 116.97 117.97 3h1k h TYR 89 Ca 0.41 0.00 -0.34 0.00 0.00 0.00 0.00 58.73 58.80 3h1k h TYR 89 Cb 0.43 0.00 -0.06 0.00 0.00 0.00 0.00 36.73 37.09 3h1k h TYR 89 CO 1.80 0.00 -2.28 -0.11 -0.00 0.00 0.00 178.16 177.57 3h1k n LEU 90 N -3.65 1.08 -0.31 0.10 7.94 -1.26 -4.63 117.00 116.26 3h1k n LEU 90 Ca 0.07 -0.05 -0.08 0.00 -1.11 0.00 0.00 56.01 54.84 3h1k n LEU 90 Cb 0.62 -0.01 -0.07 0.00 0.53 0.00 0.00 43.42 44.49 3h1k n LEU 90 CO 0.26 0.61 0.37 1.21 -1.11 0.00 0.00 177.39 178.73 3h1k n GLU 91 N -2.86 -0.32 -0.05 1.96 2.13 -1.15 -0.26 120.64 120.09 3h1k n GLU 91 Ca -0.34 1.14 -0.09 0.00 0.66 0.00 0.00 57.16 58.53 3h1k n GLU 91 Cb 1.04 -1.67 -0.02 0.00 0.27 0.00 0.00 31.44 31.06 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 -0.28 -0.84 5.31 0.11 -1.83 0.29 132.00 134.76 3h1k h PRO 92 Ca 0.12 0.02 0.12 0.00 0.11 0.00 0.00 66.00 66.37 3h1k h PRO 92 Cb 0.30 0.06 -0.08 0.00 0.11 0.00 0.00 31.00 31.39 3h1k h PRO 92 CO -0.69 -0.19 0.45 1.88 -0.21 0.00 0.00 178.00 179.24 3h1k h TYR 93 N -0.29 0.81 0.29 0.65 -1.99 -0.89 -2.82 116.97 112.73 3h1k h TYR 93 Ca 0.14 0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.88 3h1k h TYR 93 Cb 0.51 -0.24 0.00 0.00 2.00 0.00 0.00 36.73 39.00 3h1k h TYR 93 CO -0.44 0.26 -0.14 1.25 -0.00 0.00 0.00 178.16 179.09 3h1k h LEU 94 N 0.71 -0.33 -0.67 3.88 5.85 0.18 -2.83 115.31 122.09 3h1k h LEU 94 Ca 0.43 0.01 0.11 0.00 0.84 0.00 0.00 57.88 59.27 3h1k h LEU 94 Cb 0.51 0.09 -0.11 0.00 0.37 0.00 0.00 40.66 41.52 3h1k h LEU 94 CO -0.31 -0.22 -0.24 0.29 -0.34 0.00 0.00 178.44 177.62 3h1k n LYS 95 N -3.14 -0.14 -0.15 1.25 4.76 0.78 0.87 118.16 122.38 3h1k n LYS 95 Ca -0.05 1.04 -0.03 0.00 -2.87 0.00 0.00 58.31 56.40 3h1k n LYS 95 Cb 0.16 -1.54 0.06 0.00 -1.84 0.00 0.00 35.03 31.86 3h1k n LYS 95 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 3h1k h GLU 96 N 0.00 0.30 0.10 1.97 4.57 -1.52 0.66 114.58 120.66 3h1k h GLU 96 Ca 0.25 -0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.43 3h1k h GLU 96 Cb 0.42 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.91 3h1k h GLU 96 CO -0.67 0.20 -0.24 0.28 -1.18 0.00 0.00 179.01 177.39 3h1k h VAL 97 N 0.31 0.46 -0.42 0.32 2.07 0.75 1.07 116.25 120.80 3h1k h VAL 97 Ca 0.23 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.79 3h1k h VAL 97 Cb 0.26 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 3h1k h VAL 97 CO -0.25 0.00 0.28 0.40 0.02 0.00 0.00 177.57 178.02 3h1k h ILE 98 N -0.43 1.02 -0.05 4.57 2.04 -0.15 0.11 117.51 124.62 3h1k h ILE 98 Ca 0.03 -0.14 -0.02 0.00 1.00 0.00 0.00 64.86 65.73 3h1k h ILE 98 Cb 0.47 0.56 -0.00 0.00 -0.74 0.00 0.00 36.82 37.11 3h1k h ILE 98 CO -0.15 0.08 -0.05 0.03 0.00 0.00 0.00 178.15 178.05 3h1k h ARG 99 N 0.42 0.13 -0.35 2.37 3.08 0.22 -0.82 114.38 119.42 3h1k h ARG 99 Ca 0.17 -0.07 0.06 0.00 0.07 0.00 0.00 59.98 60.22 3h1k h ARG 99 Cb 0.16 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.16 3h1k h ARG 99 CO -0.04 0.59 -0.01 0.93 -1.07 0.00 0.00 179.97 180.37 3h1k h GLU 100 N -0.33 0.08 0.16 0.04 5.08 0.21 -1.29 114.58 118.54 3h1k h GLU 100 Ca 0.01 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3h1k h GLU 100 Cb 0.57 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.80 3h1k h GLU 100 CO 0.01 0.05 -0.08 -0.09 -1.00 0.00 0.00 179.01 177.91 3h1k h ARG 101 N 0.09 -0.21 -0.96 2.33 2.43 -0.84 -2.13 114.38 115.08 3h1k h ARG 101 Ca 0.17 0.01 0.24 0.00 -0.81 0.00 0.00 59.98 59.59 3h1k h ARG 101 Cb 0.24 0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 29.77 3h1k h ARG 101 CO -0.29 0.02 0.64 1.25 -1.51 0.00 0.00 179.97 180.07 3h1k h LEU 102 N -0.42 0.34 0.16 3.80 6.46 -0.88 0.84 115.31 125.62 3h1k h LEU 102 Ca -0.02 0.05 -0.01 0.00 -0.12 0.00 0.00 57.88 57.78 3h1k h LEU 102 Cb 0.33 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.24 3h1k h LEU 102 CO 0.04 0.11 -0.08 -0.08 -0.62 0.00 0.00 178.44 177.81 3h1k h GLU 103 N 0.33 -0.21 -0.84 1.25 4.81 -0.85 -2.81 114.58 116.26 3h1k h GLU 103 Ca 0.51 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.82 3h1k h GLU 103 Cb 1.40 0.05 -0.10 0.00 0.63 0.00 0.00 28.75 30.73 3h1k h GLU 103 CO -0.18 -0.14 -0.49 0.54 -0.73 0.00 0.00 179.01 178.01 3h1k n ARG 104 N -2.77 -0.37 -0.28 1.92 1.74 -0.73 -1.20 116.66 114.97 3h1k n ARG 104 Ca -0.03 1.35 -0.02 0.00 -0.77 0.00 0.00 57.85 58.39 3h1k n ARG 104 Cb 0.09 -1.99 0.04 0.00 -1.02 0.00 0.00 32.46 29.58 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 -0.07 0.00 5.56 5.08 -0.94 0.13 114.58 124.34 3h1k h GLU 105 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3h1k h GLU 105 Cb 0.34 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.61 3h1k h GLU 105 CO -0.79 -0.05 0.00 0.00 -1.00 0.00 0.00 179.01 177.18 3h1k h ALA 106 N 1.33 1.00 0.00 3.43 0.00 -0.88 -2.78 119.26 121.36 3h1k h ALA 106 Ca 0.31 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.18 3h1k h ALA 106 Cb 0.58 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3h1k h ALA 106 CO -0.81 0.00 -0.80 2.35 0.00 0.00 0.00 179.25 179.99 3h1k h TRP 107 N 0.00 0.00 -0.01 0.00 2.91 0.16 -3.27 115.95 115.75 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 0.46 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.11 3h1k h TRP 107 CO 0.00 0.13 -0.06 0.09 -1.03 0.00 0.00 178.44 177.57 3h1k n ASN 108 N -2.85 0.60 -0.08 2.65 3.02 -0.81 -3.50 115.26 114.28 3h1k n ASN 108 Ca -0.00 -0.88 -0.22 0.00 -0.03 0.00 0.00 54.58 53.44 3h1k n ASN 108 Cb 0.61 -0.04 -0.12 0.00 -0.61 0.00 0.00 39.78 39.62 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 -0.71 0.62 0.00 3.52 5.02 -1.23 -5.12 118.16 120.25 3h1k n LYS 109 Ca 0.18 0.45 0.00 0.00 -2.02 0.00 0.00 58.31 56.92 3h1k n LYS 109 Cb 0.26 -1.71 0.00 0.00 -0.02 0.00 0.00 35.03 33.56 3h1k n LYS 109 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51