#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kd7 h ALA 9 N 0.00 0.28 -0.42 -1.46 0.00 -2.02 -3.37 119.26 112.27 3kd7 h ALA 9 Ca 0.00 -1.25 -0.17 0.00 0.00 0.00 0.00 54.91 53.49 3kd7 h ALA 9 Cb 0.00 0.58 -0.10 0.00 0.00 0.00 0.00 17.79 18.27 3kd7 h ALA 9 CO 0.00 1.12 0.21 -0.85 0.00 0.00 0.00 179.25 179.74 3kd7 n GLU 10 N -3.60 2.08 -0.08 0.00 -0.00 -1.26 -4.20 120.64 113.58 3kd7 n GLU 10 Ca -0.28 -1.52 -0.13 0.00 -0.00 0.00 0.00 57.16 55.23 3kd7 n GLU 10 Cb 1.04 -1.69 -0.01 0.00 -0.00 0.00 0.00 31.44 30.78 3kd7 n GLU 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3kd7 h ALA 11 N 2.02 0.57 -0.27 -1.84 0.00 -2.02 -3.17 119.26 114.57 3kd7 h ALA 11 Ca 0.21 -0.48 -0.10 0.00 0.00 0.00 0.00 54.91 54.54 3kd7 h ALA 11 Cb 1.70 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.37 3kd7 h ALA 11 CO 0.45 0.68 -0.25 -1.49 0.00 0.00 0.00 179.25 178.63 3kd7 h TRP 12 N 0.67 0.59 -0.02 0.00 4.06 -1.88 -3.03 115.95 116.34 3kd7 h TRP 12 Ca 0.04 -0.13 0.02 0.00 2.06 0.00 0.00 58.89 60.88 3kd7 h TRP 12 Cb 1.05 -0.14 -0.03 0.00 -1.00 0.00 0.00 29.16 29.04 3kd7 h TRP 12 CO 0.06 0.73 -0.12 -0.22 -3.56 0.00 0.00 178.44 175.33 3kd7 h LYS 13 N 0.46 -0.19 0.00 0.49 3.64 -1.75 0.22 116.57 119.44 3kd7 h LYS 13 Ca 0.07 0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.38 3kd7 h LYS 13 Cb 0.69 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.54 3kd7 h LYS 13 CO 0.05 -0.13 -0.37 -0.91 -2.27 0.00 0.00 179.45 175.82 3kd7 h ASN 14 N -0.20 0.00 -0.25 4.20 2.35 -1.56 0.50 115.58 120.63 3kd7 h ASN 14 Ca 0.05 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.63 3kd7 h ASN 14 Cb 0.26 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.63 3kd7 h ASN 14 CO -0.14 0.37 -0.47 0.25 -1.65 0.00 0.00 177.43 175.79 3kd7 h LEU 15 N 0.00 0.89 -0.69 1.61 5.85 -1.39 -1.29 115.31 120.30 3kd7 h LEU 15 Ca -0.00 -0.44 -0.05 0.00 0.84 0.00 0.00 57.88 58.22 3kd7 h LEU 15 Cb 0.82 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 3kd7 h LEU 15 CO 0.05 1.22 0.24 1.23 -0.34 0.00 0.00 178.44 180.84 3kd7 h GLY 16 N 0.82 1.12 1.51 3.75 0.00 -0.07 -2.62 103.07 107.58 3kd7 h GLY 16 Ca 0.03 -0.64 -0.02 0.00 0.00 0.00 0.00 47.33 46.71 3kd7 h GLY 16 CO 0.10 0.60 0.22 3.43 0.00 0.00 0.00 176.54 180.90 3kd7 h ASN 17 N 0.99 0.58 -0.33 0.19 2.35 0.07 -1.43 115.58 118.00 3kd7 h ASN 17 Ca 0.22 -0.05 -0.08 0.00 -0.55 0.00 0.00 56.30 55.85 3kd7 h ASN 17 Cb 0.26 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 3kd7 h ASN 17 CO -0.01 0.50 -0.09 0.00 -1.65 0.00 0.00 177.43 176.18 3kd7 h ALA 18 N 1.60 0.45 -0.30 -0.83 0.00 -0.92 -1.55 119.26 117.71 3kd7 h ALA 18 Ca 0.16 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 3kd7 h ALA 18 Cb 0.07 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3kd7 h ALA 18 CO -0.02 0.30 -0.12 1.88 0.00 0.00 0.00 179.25 181.28 3kd7 h TYR 19 N 0.42 0.71 -0.28 0.00 -1.99 -1.35 -2.44 116.97 112.02 3kd7 h TYR 19 Ca 0.08 -0.17 0.07 0.00 2.00 0.00 0.00 58.73 60.71 3kd7 h TYR 19 Cb 0.59 -0.17 -0.07 0.00 2.00 0.00 0.00 36.73 39.08 3kd7 h TYR 19 CO 0.05 0.83 -0.20 -0.92 -0.00 0.00 0.00 178.16 177.93 3kd7 h TYR 20 N 0.37 -0.51 0.00 4.88 3.20 -0.73 -1.19 116.97 123.00 3kd7 h TYR 20 Ca 0.07 0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.95 3kd7 h TYR 20 Cb 0.64 0.27 -0.00 0.00 1.54 0.00 0.00 36.73 39.17 3kd7 h TYR 20 CO 0.06 -0.27 -0.13 0.87 -1.64 0.00 0.00 178.16 177.05 3kd7 h LYS 21 N -0.18 0.00 -0.86 1.82 1.79 -1.29 -2.58 116.57 115.28 3kd7 h LYS 21 Ca 0.15 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.62 3kd7 h LYS 21 Cb 0.41 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.06 3kd7 h LYS 21 CO -0.39 0.13 0.00 0.94 -1.08 0.00 0.00 179.45 179.05 3kd7 n GLN 22 N -3.45 2.03 0.00 3.15 7.27 -0.51 -4.85 117.38 121.02 3kd7 n GLN 22 Ca -0.01 -0.84 0.00 0.00 0.07 0.00 0.00 57.00 56.22 3kd7 n GLN 22 Cb 0.29 -1.69 0.00 0.00 2.41 0.00 0.00 30.24 31.26 3kd7 n GLN 22 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3kd7 n GLY 23 N 0.19 2.30 3.69 1.69 0.00 -0.97 -4.97 105.19 107.13 3kd7 n GLY 23 Ca 0.07 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 3kd7 n GLY 23 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kd7 s ASP 24 N 0.08 6.96 -0.00 1.61 -1.08 -0.87 -4.89 116.67 118.48 3kd7 s ASP 24 Ca 0.00 1.97 0.02 0.00 -0.52 0.00 0.00 52.55 54.02 3kd7 s ASP 24 Cb 0.00 -2.56 -0.02 0.00 -1.46 0.00 0.00 42.92 38.87 3kd7 s ASP 24 CO 0.00 -0.64 0.08 -1.22 0.52 0.00 0.00 175.17 173.91 3kd7 n TYR 25 N 5.19 0.00 -0.06 -5.34 4.02 -1.26 -2.14 117.16 117.57 3kd7 n TYR 25 Ca 0.12 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.85 3kd7 n TYR 25 Cb 0.45 -0.01 -0.06 0.00 -0.02 0.00 0.00 39.34 39.70 3kd7 n TYR 25 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 176.86 176.22 3kd7 h GLN 26 N 0.00 0.78 0.00 -0.72 -0.00 -1.94 -2.38 115.11 110.85 3kd7 h GLN 26 Ca 0.00 -0.53 -0.01 0.00 -0.00 0.00 0.00 58.65 58.11 3kd7 h GLN 26 Cb 0.06 0.08 -0.00 0.00 0.00 0.00 0.00 27.48 27.61 3kd7 h GLN 26 CO 0.00 1.16 -0.26 0.87 0.00 0.00 0.00 178.83 180.59 3kd7 h LYS 27 N 0.53 0.00 -0.22 1.69 1.79 -1.95 -3.06 116.57 115.34 3kd7 h LYS 27 Ca -0.00 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.41 3kd7 h LYS 27 Cb 1.16 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.81 3kd7 h LYS 27 CO 0.12 0.04 -0.08 0.00 -1.08 0.00 0.00 179.45 178.45 3kd7 h ALA 28 N 1.95 0.31 -0.54 3.86 0.00 -1.73 -3.03 119.26 120.08 3kd7 h ALA 28 Ca -0.00 -0.28 0.04 0.00 0.00 0.00 0.00 54.91 54.67 3kd7 h ALA 28 Cb 1.04 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 3kd7 h ALA 28 CO 0.01 0.13 0.29 0.82 0.00 0.00 0.00 179.25 180.50 3kd7 h ILE 29 N 0.17 0.98 -0.99 0.00 2.04 -1.47 -0.44 117.51 117.79 3kd7 h ILE 29 Ca 0.05 -0.19 0.15 0.00 1.00 0.00 0.00 64.86 65.87 3kd7 h ILE 29 Cb 0.56 0.37 -0.09 0.00 -0.74 0.00 0.00 36.82 36.92 3kd7 h ILE 29 CO 0.03 0.10 0.62 -0.08 0.00 0.00 0.00 178.15 178.82 3kd7 h GLU 30 N 0.56 0.86 0.00 2.37 4.81 -1.48 0.16 114.58 121.85 3kd7 h GLU 30 Ca 0.24 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 3kd7 h GLU 30 Cb 0.12 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.31 3kd7 h GLU 30 CO -0.15 0.57 -1.11 0.66 -0.73 0.00 0.00 179.01 178.25 3kd7 n TYR 31 N -4.66 0.43 0.04 0.92 4.01 -1.03 -2.70 117.16 114.16 3kd7 n TYR 31 Ca 0.20 0.12 -0.19 0.00 -0.16 0.00 0.00 57.90 57.88 3kd7 n TYR 31 Cb 0.44 -0.59 -0.09 0.00 -0.31 0.00 0.00 39.34 38.80 3kd7 n TYR 31 CO 0.00 0.00 0.00 1.88 -0.46 0.00 0.00 176.86 178.28 3kd7 h TYR 32 N 0.00 0.99 -0.53 -0.72 0.99 -0.22 -3.07 116.97 114.41 3kd7 h TYR 32 Ca 0.00 -0.52 -0.11 0.00 2.00 0.00 0.00 58.73 60.10 3kd7 h TYR 32 Cb 0.83 -0.12 -0.02 0.00 1.00 0.00 0.00 36.73 38.42 3kd7 h TYR 32 CO 0.00 1.35 -0.11 1.96 -0.00 0.00 0.00 178.16 181.37 3kd7 h GLN 33 N 0.39 1.00 0.00 4.88 4.20 -0.82 -2.68 115.11 122.09 3kd7 h GLN 33 Ca -0.11 -0.37 0.00 0.00 0.06 0.00 0.00 58.65 58.23 3kd7 h GLN 33 Cb 1.63 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 29.35 3kd7 h GLN 33 CO 0.19 1.05 0.00 1.63 -0.67 0.00 0.00 178.83 181.03 3kd7 n LYS 34 N -4.15 0.03 0.02 1.46 5.02 -1.10 -2.47 118.16 116.98 3kd7 n LYS 34 Ca 0.02 0.24 -0.18 0.00 -2.02 0.00 0.00 58.31 56.36 3kd7 n LYS 34 Cb 0.40 -1.55 -0.11 0.00 -0.02 0.00 0.00 35.03 33.75 3kd7 n LYS 34 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kd7 h ALA 35 N 2.54 0.09 -3.27 7.82 0.00 -1.37 -3.30 119.26 121.77 3kd7 h ALA 35 Ca 0.00 -0.62 -0.43 0.00 0.00 0.00 0.00 54.91 53.87 3kd7 h ALA 35 Cb 0.30 0.04 -0.38 0.00 0.00 0.00 0.00 17.79 17.76 3kd7 h ALA 35 CO 0.00 0.47 -0.76 -0.48 0.00 0.00 0.00 179.25 178.48 3kd7 s LEU 36 N -8.25 0.56 0.00 0.00 0.05 -1.03 0.11 118.68 110.12 3kd7 s LEU 36 Ca -0.12 -0.06 0.00 0.00 0.05 0.00 0.00 54.13 53.99 3kd7 s LEU 36 Cb 0.05 -0.40 0.00 0.00 -2.05 0.00 0.00 46.19 43.78 3kd7 s LEU 36 CO 0.86 -0.20 0.00 -1.84 -0.55 0.00 0.00 176.35 174.62 3kd7 n GLU 37 N 5.13 0.00 -0.48 1.48 0.00 -1.17 -4.69 120.64 120.91 3kd7 n GLU 37 Ca -0.07 0.00 0.39 0.00 0.00 0.00 0.00 57.16 57.48 3kd7 n GLU 37 Cb 0.50 0.00 0.68 0.00 0.00 0.00 0.00 31.44 32.62 3kd7 n GLU 37 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.13 178.50 3kd7 h LEU 38 N 0.00 0.20 -7.17 -1.84 -0.00 0.71 -3.34 115.31 103.87 3kd7 h LEU 38 Ca 0.00 0.12 -0.14 0.00 -0.00 0.00 0.00 57.88 57.87 3kd7 h LEU 38 Cb 0.00 0.11 -0.29 0.00 -0.00 0.00 0.00 40.66 40.49 3kd7 h LEU 38 CO 0.00 -0.17 -0.40 -0.62 -0.00 0.00 0.00 178.44 177.25 3kd7 s ASP 39 N -4.40 -0.15 0.01 0.17 2.15 0.09 -5.00 116.67 109.53 3kd7 s ASP 39 Ca -0.07 0.85 0.22 0.00 0.43 0.00 0.00 52.55 53.97 3kd7 s ASP 39 Cb 0.29 1.03 -0.20 0.00 -0.30 0.00 0.00 42.92 43.74 3kd7 s ASP 39 CO 0.83 -0.22 0.76 -2.65 -0.17 0.00 0.00 175.17 173.71 3kd7 n PRO 40 N 5.11 0.39 0.00 4.34 -0.02 -1.26 -3.69 135.00 139.86 3kd7 n PRO 40 Ca -0.12 -0.08 0.11 0.00 -2.02 0.00 0.00 63.50 61.40 3kd7 n PRO 40 Cb 0.51 -1.55 0.13 0.00 -0.02 0.00 0.00 33.50 32.57 3kd7 n PRO 40 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3kd7 n ASN 41 N -2.00 0.92 -4.55 2.55 3.02 -1.26 -4.87 115.26 109.06 3kd7 n ASN 41 Ca -0.00 -0.74 -0.38 0.00 -0.03 0.00 0.00 54.58 53.43 3kd7 n ASN 41 Cb 0.47 0.48 -0.03 0.00 -0.61 0.00 0.00 39.78 40.10 3kd7 n ASN 41 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3kd7 s ASN 42 N -2.85 5.14 0.35 6.41 3.84 -1.26 -4.86 114.94 121.71 3kd7 s ASN 42 Ca 0.13 0.53 0.03 0.00 0.21 0.00 0.00 52.86 53.76 3kd7 s ASN 42 Cb 0.17 -2.52 0.63 0.00 -0.55 0.00 0.00 41.25 38.98 3kd7 s ASN 42 CO 0.70 -2.44 1.99 0.00 -2.79 0.00 0.00 177.10 174.56 3kd7 h ALA 43 N 15.74 1.51 0.00 1.71 0.00 -1.91 -1.90 119.26 134.42 3kd7 h ALA 43 Ca -0.26 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.53 3kd7 h ALA 43 Cb 1.18 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3kd7 h ALA 43 CO 1.20 0.42 -0.22 1.03 0.00 0.00 0.00 179.25 181.67 3kd7 h SER 44 N 0.78 0.00 0.18 0.00 0.87 -1.91 -2.36 113.55 111.12 3kd7 h SER 44 Ca 0.20 0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 60.57 3kd7 h SER 44 Cb -0.01 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 61.94 3kd7 h SER 44 CO -0.04 0.22 -0.74 0.00 -0.53 0.00 0.00 176.83 175.75 3kd7 h ALA 45 N 1.78 0.54 -0.35 6.23 0.00 -1.75 -1.74 119.26 123.97 3kd7 h ALA 45 Ca -0.00 -0.61 -0.16 0.00 0.00 0.00 0.00 54.91 54.14 3kd7 h ALA 45 Cb 0.49 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 3kd7 h ALA 45 CO 0.03 0.75 -0.39 -1.49 0.00 0.00 0.00 179.25 178.14 3kd7 h TRP 46 N 0.33 1.07 0.16 0.00 4.06 -1.42 -2.34 115.95 117.81 3kd7 h TRP 46 Ca -0.04 -0.33 -0.01 0.00 2.06 0.00 0.00 58.89 60.58 3kd7 h TRP 46 Cb 1.33 -0.22 0.00 0.00 -1.00 0.00 0.00 29.16 29.27 3kd7 h TRP 46 CO 0.05 1.15 -0.08 -0.92 -3.56 0.00 0.00 178.44 175.08 3kd7 h TYR 47 N 0.68 -0.20 -0.59 0.49 3.20 -1.43 -1.82 116.97 117.31 3kd7 h TYR 47 Ca 0.05 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.89 3kd7 h TYR 47 Cb 0.99 0.07 -0.03 0.00 1.54 0.00 0.00 36.73 39.30 3kd7 h TYR 47 CO 0.07 -0.04 0.25 -0.91 -1.64 0.00 0.00 178.16 175.89 3kd7 h ASN 48 N -0.31 0.76 -0.67 -2.11 2.35 -1.36 -1.87 115.58 112.37 3kd7 h ASN 48 Ca -0.02 -0.09 -0.06 0.00 -0.55 0.00 0.00 56.30 55.58 3kd7 h ASN 48 Cb 0.25 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.39 3kd7 h ASN 48 CO 0.04 0.68 0.19 0.25 -1.65 0.00 0.00 177.43 176.93 3kd7 h LEU 49 N 0.84 1.00 -1.05 1.61 5.85 -1.36 -2.89 115.31 119.30 3kd7 h LEU 49 Ca 0.20 -0.22 0.02 0.00 0.84 0.00 0.00 57.88 58.72 3kd7 h LEU 49 Cb 0.14 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 40.85 3kd7 h LEU 49 CO -0.02 0.96 0.64 1.23 -0.34 0.00 0.00 178.44 180.91 3kd7 h GLY 50 N 0.99 1.39 0.76 3.75 0.00 -0.56 -2.73 103.07 106.66 3kd7 h GLY 50 Ca 0.21 -0.50 0.04 0.00 0.00 0.00 0.00 47.33 47.09 3kd7 h GLY 50 CO -0.00 0.47 0.33 3.43 0.00 0.00 0.00 176.54 180.77 3kd7 h ASN 51 N 1.29 0.50 0.11 0.19 2.35 -1.18 -0.29 115.58 118.54 3kd7 h ASN 51 Ca 0.37 0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 56.14 3kd7 h ASN 51 Cb -0.09 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.19 3kd7 h ASN 51 CO -0.09 0.34 -0.08 0.00 -1.65 0.00 0.00 177.43 175.95 3kd7 h ALA 52 N 1.30 -0.18 -0.57 -0.83 0.00 -1.37 0.14 119.26 117.75 3kd7 h ALA 52 Ca 0.25 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 3kd7 h ALA 52 Cb 0.12 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 3kd7 h ALA 52 CO -0.15 -0.61 0.35 1.88 0.00 0.00 0.00 179.25 180.73 3kd7 h TYR 53 N -0.19 0.75 -0.39 0.00 -1.99 -1.38 0.26 116.97 114.03 3kd7 h TYR 53 Ca -0.01 0.00 0.06 0.00 2.00 0.00 0.00 58.73 60.79 3kd7 h TYR 53 Cb 0.17 -0.25 -0.06 0.00 2.00 0.00 0.00 36.73 38.60 3kd7 h TYR 53 CO -0.09 0.51 0.04 -0.92 -0.00 0.00 0.00 178.16 177.70 3kd7 h TYR 54 N 0.77 0.06 -0.02 4.88 3.20 -0.80 0.28 116.97 125.35 3kd7 h TYR 54 Ca 0.21 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 62.00 3kd7 h TYR 54 Cb -0.03 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 3kd7 h TYR 54 CO -0.02 -0.03 -0.47 -0.22 -1.64 0.00 0.00 178.16 175.78 3kd7 h LYS 55 N 0.15 0.04 0.00 1.82 1.63 -0.19 -2.05 116.57 117.97 3kd7 h LYS 55 Ca 0.19 -0.02 -0.04 0.00 -0.85 0.00 0.00 60.65 59.93 3kd7 h LYS 55 Cb 0.24 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.87 3kd7 h LYS 55 CO -0.28 0.50 -0.17 1.96 -3.45 0.00 0.00 179.45 178.01 3kd7 h GLN 56 N 0.03 0.00 0.00 1.90 4.20 0.17 -3.47 115.11 117.94 3kd7 h GLN 56 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3kd7 h GLN 56 Cb 0.84 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.62 3kd7 h GLN 56 CO 0.06 0.17 0.00 0.41 -0.67 0.00 0.00 178.83 178.80 3kd7 n GLY 57 N -0.05 0.93 3.27 3.46 0.00 -0.12 -5.03 105.19 107.65 3kd7 n GLY 57 Ca -0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 3kd7 n GLY 57 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3kd7 n ASP 58 N 0.00 5.46 0.08 1.61 -0.08 0.80 -4.84 116.55 119.59 3kd7 n ASP 58 Ca 0.00 -3.08 -0.02 0.00 -1.51 0.00 0.00 54.79 50.18 3kd7 n ASP 58 Cb 0.00 -1.46 0.23 0.00 2.34 0.00 0.00 41.12 42.23 3kd7 n ASP 58 CO 0.00 0.00 0.00 1.88 0.12 0.00 0.00 177.20 179.20 3kd7 h TYR 59 N 6.53 0.32 -0.63 -0.67 -1.99 -1.88 -1.26 116.97 117.40 3kd7 h TYR 59 Ca 0.27 -0.08 0.03 0.00 2.00 0.00 0.00 58.73 60.95 3kd7 h TYR 59 Cb 0.80 -0.07 -0.04 0.00 2.00 0.00 0.00 36.73 39.42 3kd7 h TYR 59 CO 1.00 0.62 0.38 0.37 -0.00 0.00 0.00 178.16 180.53 3kd7 h GLN 60 N 0.23 0.72 -0.14 4.88 4.15 -1.96 -0.55 115.11 122.45 3kd7 h GLN 60 Ca 0.02 -0.04 -0.14 0.00 0.77 0.00 0.00 58.65 59.26 3kd7 h GLN 60 Cb 0.78 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.31 3kd7 h GLN 60 CO 0.06 0.48 -0.47 0.87 -1.93 0.00 0.00 178.83 177.84 3kd7 h LYS 61 N 0.74 0.56 -0.40 1.69 1.57 -1.90 -2.42 116.57 116.42 3kd7 h LYS 61 Ca 0.26 -0.42 0.08 0.00 -1.87 0.00 0.00 60.65 58.70 3kd7 h LYS 61 Cb 0.04 0.08 -0.08 0.00 0.08 0.00 0.00 32.23 32.35 3kd7 h LYS 61 CO -0.11 1.04 -0.15 0.00 -0.57 0.00 0.00 179.45 179.66 3kd7 h ALA 62 N 0.52 0.18 -0.69 3.86 0.00 -0.99 0.15 119.26 122.29 3kd7 h ALA 62 Ca -0.02 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3kd7 h ALA 62 Cb 1.10 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 19.25 3kd7 h ALA 62 CO 0.10 -0.51 0.37 0.82 0.00 0.00 0.00 179.25 180.03 3kd7 h ILE 63 N -0.07 1.22 -0.43 0.00 2.04 -1.15 0.23 117.51 119.35 3kd7 h ILE 63 Ca 0.19 -0.56 0.05 0.00 1.00 0.00 0.00 64.86 65.54 3kd7 h ILE 63 Cb 0.36 0.33 -0.04 0.00 -0.74 0.00 0.00 36.82 36.73 3kd7 h ILE 63 CO -0.44 0.24 0.17 -0.08 0.00 0.00 0.00 178.15 178.04 3kd7 h GLU 64 N 0.95 0.35 0.08 2.37 4.81 -0.80 -1.66 114.58 120.68 3kd7 h GLU 64 Ca 0.24 -0.02 -0.25 0.00 -0.13 0.00 0.00 59.36 59.20 3kd7 h GLU 64 Cb 0.06 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 3kd7 h GLU 64 CO -0.04 0.23 -1.15 1.88 -0.73 0.00 0.00 179.01 179.20 3kd7 h TYR 65 N 0.36 0.30 -0.70 0.92 0.05 -0.36 -3.20 116.97 114.33 3kd7 h TYR 65 Ca 0.19 -0.22 -0.07 0.00 0.05 0.00 0.00 58.73 58.69 3kd7 h TYR 65 Cb 0.16 -0.01 -0.03 0.00 1.01 0.00 0.00 36.73 37.85 3kd7 h TYR 65 CO -0.13 1.17 0.18 1.88 -1.05 0.00 0.00 178.16 180.21 3kd7 h TYR 66 N 0.05 1.17 -0.72 4.88 0.99 -0.48 -2.85 116.97 120.01 3kd7 h TYR 66 Ca -0.09 -0.14 0.02 0.00 2.00 0.00 0.00 58.73 60.53 3kd7 h TYR 66 Cb 1.89 -0.33 -0.04 0.00 1.00 0.00 0.00 36.73 39.25 3kd7 h TYR 66 CO 0.04 0.95 0.46 0.37 -0.00 0.00 0.00 178.16 179.98 3kd7 h GLN 67 N 1.06 0.89 0.00 4.88 4.15 -1.35 -1.97 115.11 122.76 3kd7 h GLN 67 Ca 0.22 -0.05 -0.04 0.00 0.77 0.00 0.00 58.65 59.54 3kd7 h GLN 67 Cb 0.36 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 27.85 3kd7 h GLN 67 CO 0.00 0.59 -0.21 0.87 -1.93 0.00 0.00 178.83 178.15 3kd7 h LYS 68 N 0.91 0.00 0.00 1.69 1.79 -1.53 0.99 116.57 120.42 3kd7 h LYS 68 Ca 0.28 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.63 3kd7 h LYS 68 Cb -0.03 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.60 3kd7 h LYS 68 CO -0.09 0.21 -0.56 0.00 -1.08 0.00 0.00 179.45 177.92 3kd7 h ALA 69 N 1.79 1.07 0.15 3.86 0.00 -1.14 -2.99 119.26 121.99 3kd7 h ALA 69 Ca -0.00 -0.51 -0.29 0.00 0.00 0.00 0.00 54.91 54.10 3kd7 h ALA 69 Cb 0.49 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.20 3kd7 h ALA 69 CO 0.03 0.70 -1.36 -0.07 0.00 0.00 0.00 179.25 178.55 3kd7 h LEU 70 N 0.00 0.48 -1.91 0.00 3.38 -0.72 -1.82 115.31 114.72 3kd7 h LEU 70 Ca -0.01 -0.55 -0.02 0.00 0.09 0.00 0.00 57.88 57.39 3kd7 h LEU 70 Cb 1.00 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.59 3kd7 h LEU 70 CO 0.07 1.44 -0.11 -0.33 0.09 0.00 0.00 178.44 179.60 3kd7 h GLU 71 N 0.08 0.00 0.02 1.13 5.08 -0.85 -2.57 114.58 117.48 3kd7 h GLU 71 Ca -0.18 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 57.79 3kd7 h GLU 71 Cb 2.02 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 31.21 3kd7 h GLU 71 CO 0.20 0.11 -2.38 1.28 -1.00 0.00 0.00 179.01 177.23 3kd7 n LEU 72 N -3.60 2.69 -3.56 1.33 4.77 -1.13 -4.84 117.00 112.65 3kd7 n LEU 72 Ca -0.02 -0.06 -0.29 0.00 -0.03 0.00 0.00 56.01 55.61 3kd7 n LEU 72 Cb 0.24 -0.83 -0.12 0.00 -2.33 0.00 0.00 43.42 40.37 3kd7 n LEU 72 CO 0.30 0.89 -0.29 -0.62 -1.33 0.00 0.00 177.39 176.33 3kd7 s ASP 73 N -6.53 3.24 0.00 -1.43 2.15 -0.69 -4.99 116.67 108.43 3kd7 s ASP 73 Ca -0.31 -2.33 0.24 0.00 0.43 0.00 0.00 52.55 50.58 3kd7 s ASP 73 Cb 0.08 -0.64 1.37 0.00 -0.30 0.00 0.00 42.92 43.43 3kd7 s ASP 73 CO 0.65 -0.30 1.79 -0.81 -0.17 0.00 0.00 175.17 176.33 3kd7 n PRO 74 N 3.88 0.65 0.01 4.34 -0.04 -0.98 -3.01 135.00 139.86 3kd7 n PRO 74 Ca 0.10 0.02 0.11 0.00 -0.04 0.00 0.00 63.50 63.69 3kd7 n PRO 74 Cb 0.36 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.42 3kd7 n PRO 74 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3kd7 n ASN 75 N -1.07 0.64 -4.56 3.54 3.02 -1.26 -4.76 115.26 110.81 3kd7 n ASN 75 Ca 0.16 -0.32 -0.29 0.00 -0.03 0.00 0.00 54.58 54.09 3kd7 n ASN 75 Cb 0.11 0.55 -0.05 0.00 -0.61 0.00 0.00 39.78 39.78 3kd7 n ASN 75 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3kd7 s ASN 76 N -3.43 5.41 0.51 6.41 3.84 -1.16 -4.80 114.94 121.70 3kd7 s ASN 76 Ca 0.08 -0.83 0.20 0.00 0.21 0.00 0.00 52.86 52.51 3kd7 s ASN 76 Cb 0.16 -2.56 1.30 0.00 -0.55 0.00 0.00 41.25 39.60 3kd7 s ASN 76 CO 0.76 -2.51 2.10 0.00 -2.79 0.00 0.00 177.10 174.67 3kd7 h ALA 77 N 10.99 1.71 -0.72 1.71 0.00 -1.89 -1.97 119.26 129.09 3kd7 h ALA 77 Ca 0.12 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3kd7 h ALA 77 Cb 1.01 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 3kd7 h ALA 77 CO 1.25 0.10 0.34 0.87 0.00 0.00 0.00 179.25 181.81 3kd7 h LYS 78 N 0.00 1.03 -0.09 0.00 1.57 -1.93 -0.49 116.57 116.66 3kd7 h LYS 78 Ca -0.00 -0.14 -0.17 0.00 -1.87 0.00 0.00 60.65 58.47 3kd7 h LYS 78 Cb 0.16 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 3kd7 h LYS 78 CO 0.01 0.80 -0.67 0.00 -0.57 0.00 0.00 179.45 179.02 3kd7 h ALA 79 N 1.35 0.68 -0.50 3.86 0.00 -1.76 -1.58 119.26 121.31 3kd7 h ALA 79 Ca 0.25 -0.58 -0.07 0.00 0.00 0.00 0.00 54.91 54.51 3kd7 h ALA 79 Cb 0.12 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3kd7 h ALA 79 CO -0.03 0.75 0.04 -1.49 0.00 0.00 0.00 179.25 178.52 3kd7 h TRP 80 N 0.27 0.92 -0.48 0.00 4.06 -1.29 -2.62 115.95 116.80 3kd7 h TRP 80 Ca -0.02 -0.14 -0.08 0.00 2.06 0.00 0.00 58.89 60.71 3kd7 h TRP 80 Cb 1.22 -0.25 -0.02 0.00 -1.00 0.00 0.00 29.16 29.12 3kd7 h TRP 80 CO 0.04 0.85 -0.03 -0.92 -3.56 0.00 0.00 178.44 174.82 3kd7 h TYR 81 N 0.72 0.95 0.00 0.49 3.20 -1.01 -2.57 116.97 118.76 3kd7 h TYR 81 Ca 0.15 -0.18 -0.11 0.00 3.14 0.00 0.00 58.73 61.73 3kd7 h TYR 81 Cb 0.45 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.46 3kd7 h TYR 81 CO 0.03 0.91 -0.54 0.00 -1.64 0.00 0.00 178.16 176.92 3kd7 h ARG 82 N 0.72 0.00 -0.08 1.82 3.08 -1.31 -0.54 114.38 118.07 3kd7 h ARG 82 Ca 0.13 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.05 3kd7 h ARG 82 Cb 0.55 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 3kd7 h ARG 82 CO 0.03 0.54 -0.52 -0.09 -1.07 0.00 0.00 179.97 178.86 3kd7 h ARG 83 N 0.00 0.23 -0.42 0.04 2.43 -1.52 -1.75 114.38 113.39 3kd7 h ARG 83 Ca -0.01 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 3kd7 h ARG 83 Cb 1.39 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.93 3kd7 h ARG 83 CO 0.07 0.70 0.27 0.78 -1.51 0.00 0.00 179.97 180.27 3kd7 h GLY 84 N 1.38 0.60 0.83 2.80 0.00 -0.99 -0.59 103.07 107.09 3kd7 h GLY 84 Ca 0.00 -0.24 0.04 0.00 0.00 0.00 0.00 47.33 47.14 3kd7 h GLY 84 CO 0.08 0.23 0.52 3.43 0.00 0.00 0.00 176.54 180.80 3kd7 h ASN 85 N 0.56 0.84 -0.14 0.19 2.35 -0.93 -0.81 115.58 117.64 3kd7 h ASN 85 Ca 0.15 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.88 3kd7 h ASN 85 Cb -0.03 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.15 3kd7 h ASN 85 CO -0.03 0.57 0.00 0.00 -1.65 0.00 0.00 177.43 176.32 3kd7 h ALA 86 N 1.36 0.19 -0.79 -0.83 0.00 -1.11 -1.74 119.26 116.34 3kd7 h ALA 86 Ca 0.34 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 55.15 3kd7 h ALA 86 Cb 0.06 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 3kd7 h ALA 86 CO -0.13 -0.11 0.51 1.88 0.00 0.00 0.00 179.25 181.40 3kd7 h TYR 87 N -0.01 0.77 -0.09 0.00 0.99 -0.97 -2.28 116.97 115.37 3kd7 h TYR 87 Ca 0.04 0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.78 3kd7 h TYR 87 Cb 0.37 -0.25 -0.00 0.00 1.00 0.00 0.00 36.73 37.85 3kd7 h TYR 87 CO 0.03 0.36 0.00 -0.92 -0.00 0.00 0.00 178.16 177.64 3kd7 h TYR 88 N 0.72 0.17 -0.83 4.88 3.20 -0.93 -0.77 116.97 123.41 3kd7 h TYR 88 Ca 0.36 -0.03 0.10 0.00 3.14 0.00 0.00 58.73 62.30 3kd7 h TYR 88 Cb 0.44 -0.04 -0.06 0.00 1.54 0.00 0.00 36.73 38.61 3kd7 h TYR 88 CO -0.00 0.40 0.54 0.87 -1.64 0.00 0.00 178.16 178.34 3kd7 h LYS 89 N -0.12 0.75 -0.02 1.82 1.79 -0.95 -1.01 116.57 118.83 3kd7 h LYS 89 Ca 0.02 -0.05 -0.10 0.00 -2.18 0.00 0.00 60.65 58.35 3kd7 h LYS 89 Cb 0.34 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 30.80 3kd7 h LYS 89 CO 0.00 0.50 -0.48 1.96 -1.08 0.00 0.00 179.45 180.36 3kd7 h GLN 90 N 0.78 0.04 0.00 3.15 4.20 -1.30 -3.47 115.11 118.50 3kd7 h GLN 90 Ca 0.39 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 59.08 3kd7 h GLN 90 Cb 0.46 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.24 3kd7 h GLN 90 CO -0.16 0.51 0.00 0.41 -0.67 0.00 0.00 178.83 178.92 3kd7 n GLY 91 N -0.14 0.65 2.98 3.46 0.00 -0.38 -5.02 105.19 106.74 3kd7 n GLY 91 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 3kd7 n GLY 91 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3kd7 n ASP 92 N 0.00 4.57 0.21 1.61 -0.08 -0.35 -4.80 116.55 117.72 3kd7 n ASP 92 Ca 0.00 -2.96 0.05 0.00 -1.51 0.00 0.00 54.79 50.37 3kd7 n ASP 92 Cb 0.00 -1.60 0.47 0.00 2.34 0.00 0.00 41.12 42.32 3kd7 n ASP 92 CO 0.00 0.00 0.00 1.88 0.12 0.00 0.00 177.20 179.20 3kd7 h TYR 93 N 6.26 0.00 0.23 -0.67 -1.99 -1.90 -2.13 116.97 116.77 3kd7 h TYR 93 Ca 0.47 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.20 3kd7 h TYR 93 Cb 0.69 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.41 3kd7 h TYR 93 CO 1.35 0.23 -0.20 1.96 -0.00 0.00 0.00 178.16 181.50 3kd7 h GLN 94 N 0.00 -0.43 0.00 4.88 1.08 -1.94 0.15 115.11 118.85 3kd7 h GLN 94 Ca -0.00 0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 57.20 3kd7 h GLN 94 Cb 0.40 0.10 -0.00 0.00 -0.05 0.00 0.00 27.48 27.93 3kd7 h GLN 94 CO 0.03 -0.29 -0.12 0.87 -0.95 0.00 0.00 178.83 178.37 3kd7 h LYS 95 N -0.44 0.00 0.21 1.46 1.79 -1.85 -1.03 116.57 116.70 3kd7 h LYS 95 Ca -0.01 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.45 3kd7 h LYS 95 Cb 0.40 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.06 3kd7 h LYS 95 CO -0.03 0.12 -0.10 0.00 -1.08 0.00 0.00 179.45 178.37 3kd7 h ALA 96 N 1.88 -0.28 -0.41 3.86 0.00 -0.98 -2.69 119.26 120.64 3kd7 h ALA 96 Ca -0.00 -0.20 0.08 0.00 0.00 0.00 0.00 54.91 54.79 3kd7 h ALA 96 Cb 0.37 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.20 3kd7 h ALA 96 CO 0.02 -0.34 -0.03 0.82 0.00 0.00 0.00 179.25 179.72 3kd7 h ILE 97 N -0.91 0.66 -0.52 0.00 2.04 -0.50 0.38 117.51 118.66 3kd7 h ILE 97 Ca -0.03 -0.03 0.10 0.00 1.00 0.00 0.00 64.86 65.91 3kd7 h ILE 97 Cb 0.50 0.58 -0.08 0.00 -0.74 0.00 0.00 36.82 37.07 3kd7 h ILE 97 CO 0.05 0.01 0.04 -0.08 0.00 0.00 0.00 178.15 178.17 3kd7 h GLU 98 N 0.08 0.15 -0.10 2.37 4.81 -1.30 -0.40 114.58 120.19 3kd7 h GLU 98 Ca 0.20 -0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 59.28 3kd7 h GLU 98 Cb 0.30 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 3kd7 h GLU 98 CO -0.36 0.10 -0.56 -0.44 -0.73 0.00 0.00 179.01 177.02 3kd7 h ASP 99 N 0.16 0.34 -0.41 1.04 5.19 -0.96 -3.01 116.42 118.77 3kd7 h ASP 99 Ca 0.27 -0.18 -0.14 0.00 -0.62 0.00 0.00 57.03 56.36 3kd7 h ASP 99 Cb 0.40 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 39.80 3kd7 h ASP 99 CO -0.41 0.83 -0.27 1.88 -3.12 0.00 0.00 179.24 178.16 3kd7 h TYR 100 N 0.23 1.09 -0.58 4.55 0.99 0.44 -2.74 116.97 120.96 3kd7 h TYR 100 Ca 0.00 -0.28 -0.09 0.00 2.00 0.00 0.00 58.73 60.36 3kd7 h TYR 100 Cb 1.06 -0.25 -0.02 0.00 1.00 0.00 0.00 36.73 38.52 3kd7 h TYR 100 CO 0.03 1.09 0.01 1.96 -0.00 0.00 0.00 178.16 181.24 3kd7 h GLN 101 N 0.80 0.99 -0.28 4.88 4.20 -1.10 -2.74 115.11 121.85 3kd7 h GLN 101 Ca 0.09 -0.29 -0.09 0.00 0.06 0.00 0.00 58.65 58.42 3kd7 h GLN 101 Cb 0.84 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.50 3kd7 h GLN 101 CO 0.07 0.97 -0.22 -0.22 -0.67 0.00 0.00 178.83 178.76 3kd7 h LYS 102 N 0.91 0.52 -0.28 1.46 1.63 -1.45 -2.47 116.57 116.90 3kd7 h LYS 102 Ca 0.17 -0.19 -0.14 0.00 -0.85 0.00 0.00 60.65 59.64 3kd7 h LYS 102 Cb 0.52 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.10 3kd7 h LYS 102 CO 0.03 0.71 -0.39 0.00 -3.45 0.00 0.00 179.45 176.34 3kd7 h ALA 103 N 1.30 0.80 0.00 5.00 0.00 -1.39 -3.17 119.26 121.79 3kd7 h ALA 103 Ca 0.07 -0.44 -0.05 0.00 0.00 0.00 0.00 54.91 54.50 3kd7 h ALA 103 Cb 0.64 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3kd7 h ALA 103 CO 0.05 0.65 -0.22 -0.07 0.00 0.00 0.00 179.25 179.65 3kd7 h LEU 104 N 0.54 0.00 -0.80 0.00 3.38 -1.27 -2.82 115.31 114.34 3kd7 h LEU 104 Ca 0.05 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.91 3kd7 h LEU 104 Cb 0.91 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 3kd7 h LEU 104 CO 0.08 0.22 -0.51 -0.33 0.09 0.00 0.00 178.44 178.00 3kd7 h GLU 105 N 0.00 0.00 0.00 1.13 5.08 -1.42 -3.33 114.58 116.04 3kd7 h GLU 105 Ca -0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 3kd7 h GLU 105 Cb 0.94 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.17 3kd7 h GLU 105 CO 0.03 0.51 -0.70 -0.07 -1.00 0.00 0.00 179.01 177.78 3kd7 h LEU 106 N 0.00 0.00 -1.76 1.33 3.38 -1.58 -3.52 115.31 113.16 3kd7 h LEU 106 Ca -0.01 -0.56 0.00 0.00 0.09 0.00 0.00 57.88 57.40 3kd7 h LEU 106 Cb 1.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.78 3kd7 h LEU 106 CO 0.07 1.19 0.00 0.47 0.09 0.00 0.00 178.44 180.25