#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 -0.78 0.00 -1.46 0.00 -2.05 -3.45 119.26 111.52 3kd7 h ALA 9 Ca 0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3kd7 h ALA 9 Cb 0.00 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 3kd7 h ALA 9 CO 0.00 -0.77 -0.40 -0.85 0.00 0.00 0.00 179.25 177.23 3kd7 n GLU 10 N -2.60 0.00 0.51 0.00 0.28 -1.26 -4.87 120.64 112.70 3kd7 n GLU 10 Ca -0.02 -0.83 -0.20 0.00 -0.16 0.00 0.00 57.16 55.95 3kd7 n GLU 10 Cb 0.07 -0.22 -0.09 0.00 1.43 0.00 0.00 31.44 32.63 3kd7 n GLU 10 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3kd7 h ALA 11 N 0.12 -1.35 -1.09 -1.84 0.00 -2.00 -2.15 119.26 110.96 3kd7 h ALA 11 Ca -0.07 -0.28 0.31 0.00 0.00 0.00 0.00 54.91 54.87 3kd7 h ALA 11 Cb 1.34 0.50 -0.11 0.00 0.00 0.00 0.00 17.79 19.52 3kd7 h ALA 11 CO -0.01 -1.25 0.68 -1.49 0.00 0.00 0.00 179.25 177.18 3kd7 h TRP 12 N -1.29 0.72 0.27 0.00 4.06 -1.89 0.20 115.95 118.02 3kd7 h TRP 12 Ca -0.13 0.03 -0.01 0.00 2.06 0.00 0.00 58.89 60.83 3kd7 h TRP 12 Cb 0.99 -0.20 0.00 0.00 -1.00 0.00 0.00 29.16 28.95 3kd7 h TRP 12 CO 0.01 -0.04 -0.13 -0.22 -3.56 0.00 0.00 178.44 174.50 3kd7 h LYS 13 N 0.34 -0.35 -0.39 0.49 3.64 -1.68 -1.58 116.57 117.04 3kd7 h LYS 13 Ca 0.67 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 60.06 3kd7 h LYS 13 Cb 1.74 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 33.62 3kd7 h LYS 13 CO -0.40 -0.13 0.18 -0.91 -2.27 0.00 0.00 179.45 175.91 3kd7 h ASN 14 N -0.50 0.48 -0.09 4.20 2.35 -0.04 0.12 115.58 122.10 3kd7 h ASN 14 Ca -0.04 -0.04 -0.09 0.00 -0.55 0.00 0.00 56.30 55.58 3kd7 h ASN 14 Cb 0.38 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 3kd7 h ASN 14 CO 0.06 0.43 -0.22 -0.07 -1.65 0.00 0.00 177.43 175.97 3kd7 h LEU 15 N 0.54 0.51 -0.49 1.61 4.07 -0.85 -1.80 115.31 118.90 3kd7 h LEU 15 Ca 0.14 -0.17 -0.12 0.00 0.08 0.00 0.00 57.88 57.81 3kd7 h LEU 15 Cb 0.08 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 41.67 3kd7 h LEU 15 CO -0.02 0.74 -0.15 1.23 -1.08 0.00 0.00 178.44 179.16 3kd7 h GLY 16 N 1.00 1.04 0.80 0.83 0.00 -0.22 -2.95 103.07 103.58 3kd7 h GLY 16 Ca 0.07 -0.88 0.04 0.00 0.00 0.00 0.00 47.33 46.56 3kd7 h GLY 16 CO 0.05 0.81 0.40 3.43 0.00 0.00 0.00 176.54 181.22 3kd7 h ASN 17 N 0.82 0.63 -0.58 0.19 2.35 -0.36 0.56 115.58 119.20 3kd7 h ASN 17 Ca 0.12 0.01 -0.08 0.00 -0.55 0.00 0.00 56.30 55.80 3kd7 h ASN 17 Cb 0.72 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.94 3kd7 h ASN 17 CO 0.05 0.43 0.05 0.00 -1.65 0.00 0.00 177.43 176.31 3kd7 h ALA 18 N 1.31 0.78 0.00 -0.83 0.00 -1.37 -1.44 119.26 117.71 3kd7 h ALA 18 Ca 0.28 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3kd7 h ALA 18 Cb 0.08 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3kd7 h ALA 18 CO -0.13 0.57 -0.25 1.88 0.00 0.00 0.00 179.25 181.31 3kd7 h TYR 19 N 0.89 0.00 -0.29 0.00 -1.99 -1.28 -1.92 116.97 112.37 3kd7 h TYR 19 Ca 0.17 0.00 -0.16 0.00 2.00 0.00 0.00 58.73 60.74 3kd7 h TYR 19 Cb 0.48 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.21 3kd7 h TYR 19 CO 0.04 0.25 -0.46 -0.92 -0.00 0.00 0.00 178.16 177.06 3kd7 h TYR 20 N 0.00 0.95 0.00 4.88 3.20 -0.48 0.26 116.97 125.77 3kd7 h TYR 20 Ca -0.00 -0.31 -0.08 0.00 3.14 0.00 0.00 58.73 61.48 3kd7 h TYR 20 Cb 0.72 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.79 3kd7 h TYR 20 CO 0.00 1.09 -0.37 0.87 -1.64 0.00 0.00 178.16 178.11 3kd7 h LYS 21 N 0.62 0.00 -0.47 1.82 1.79 -0.85 -2.78 116.57 116.71 3kd7 h LYS 21 Ca 0.03 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 3kd7 h LYS 21 Cb 1.04 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.69 3kd7 h LYS 21 CO 0.10 0.37 0.00 1.04 -1.08 0.00 0.00 179.45 179.88 3kd7 n GLN 22 N -3.61 2.09 -2.09 3.15 6.02 -0.76 -4.91 117.38 117.27 3kd7 n GLN 22 Ca -0.01 -1.36 -0.16 0.00 -0.01 0.00 0.00 57.00 55.47 3kd7 n GLN 22 Cb 0.48 -1.42 -0.02 0.00 1.02 0.00 0.00 30.24 30.30 3kd7 n GLN 22 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kd7 n GLY 23 N 0.89 0.18 3.10 1.08 0.00 -1.05 -4.97 105.19 104.42 3kd7 n GLY 23 Ca 0.12 -0.23 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.42 5.14 -0.05 1.61 -1.08 0.07 -4.91 116.67 115.04 3kd7 s ASP 24 Ca 0.00 -2.08 0.20 0.00 -0.52 0.00 0.00 52.55 50.15 3kd7 s ASP 24 Cb 0.00 -1.78 -0.31 0.00 -1.46 0.00 0.00 42.92 39.37 3kd7 s ASP 24 CO 0.00 -0.50 0.40 -1.22 0.52 0.00 0.00 175.17 174.37 3kd7 n TYR 25 N 4.49 0.00 -0.08 -5.34 4.02 -1.26 -2.90 117.16 116.09 3kd7 n TYR 25 Ca -0.01 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.76 3kd7 n TYR 25 Cb 0.41 -0.52 -0.05 0.00 -0.02 0.00 0.00 39.34 39.17 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 0.54 -0.04 -0.72 -0.00 -1.92 -1.76 115.11 111.20 3kd7 h GLN 26 Ca -0.06 -0.26 -0.09 0.00 -0.00 0.00 0.00 58.65 58.24 3kd7 h GLN 26 Cb 1.07 -0.00 -0.01 0.00 0.00 0.00 0.00 27.48 28.53 3kd7 h GLN 26 CO 0.00 0.83 -0.40 0.87 0.00 0.00 0.00 178.83 180.13 3kd7 h LYS 27 N 0.25 0.09 0.29 1.69 1.57 -1.93 -1.97 116.57 116.57 3kd7 h LYS 27 Ca 0.05 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3kd7 h LYS 27 Cb 0.70 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.01 3kd7 h LYS 27 CO 0.05 0.48 -0.14 0.00 -0.57 0.00 0.00 179.45 179.27 3kd7 h ALA 28 N 1.52 -0.38 -0.60 3.86 0.00 -1.47 -2.12 119.26 120.06 3kd7 h ALA 28 Ca 0.01 -0.16 0.11 0.00 0.00 0.00 0.00 54.91 54.87 3kd7 h ALA 28 Cb 0.75 0.15 -0.08 0.00 0.00 0.00 0.00 17.79 18.60 3kd7 h ALA 28 CO 0.06 -0.60 0.14 0.82 0.00 0.00 0.00 179.25 179.66 3kd7 h ILE 29 N -0.61 0.65 -0.83 0.00 2.04 -1.28 0.27 117.51 117.76 3kd7 h ILE 29 Ca -0.04 -0.09 0.15 0.00 1.00 0.00 0.00 64.86 65.87 3kd7 h ILE 29 Cb 0.44 0.36 -0.09 0.00 -0.74 0.00 0.00 36.82 36.78 3kd7 h ILE 29 CO 0.06 0.05 0.41 -0.08 0.00 0.00 0.00 178.15 178.59 3kd7 h GLU 30 N 0.27 0.57 0.00 2.37 4.81 -1.26 0.12 114.58 121.46 3kd7 h GLU 30 Ca 0.31 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.51 3kd7 h GLU 30 Cb 0.46 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.71 3kd7 h GLU 30 CO -0.39 0.37 -0.62 0.66 -0.73 0.00 0.00 179.01 178.30 3kd7 n TYR 31 N -4.90 0.08 0.05 0.92 4.01 -0.52 -3.04 117.16 113.76 3kd7 n TYR 31 Ca 0.17 0.02 -0.05 0.00 -0.16 0.00 0.00 57.90 57.88 3kd7 n TYR 31 Cb 0.43 -0.28 -0.10 0.00 -0.31 0.00 0.00 39.34 39.08 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 0.00 -0.17 -0.72 0.99 0.28 -3.19 116.97 114.16 3kd7 h TYR 32 Ca 0.00 0.00 -0.20 0.00 2.00 0.00 0.00 58.73 60.53 3kd7 h TYR 32 Cb 0.55 0.00 0.01 0.00 1.00 0.00 0.00 36.73 38.29 3kd7 h TYR 32 CO 0.00 0.88 -0.66 1.96 -0.00 0.00 0.00 178.16 180.33 3kd7 h GLN 33 N 0.00 0.75 -0.98 4.88 4.20 -0.85 -2.80 115.11 120.30 3kd7 h GLN 33 Ca -0.10 -0.58 0.05 0.00 0.06 0.00 0.00 58.65 58.08 3kd7 h GLN 33 Cb 1.76 0.11 -0.06 0.00 0.30 0.00 0.00 27.48 29.59 3kd7 h GLN 33 CO 0.10 1.19 0.64 0.87 -0.67 0.00 0.00 178.83 180.96 3kd7 h LYS 34 N 0.46 1.15 -0.76 1.46 1.79 -1.67 -1.84 116.57 117.17 3kd7 h LYS 34 Ca -0.04 -0.07 -0.04 0.00 -2.18 0.00 0.00 60.65 58.32 3kd7 h LYS 34 Cb 1.29 -0.26 -0.03 0.00 -1.58 0.00 0.00 32.23 31.65 3kd7 h LYS 34 CO 0.14 0.76 0.30 0.00 -1.08 0.00 0.00 179.45 179.57 3kd7 h ALA 35 N 1.45 1.09 0.00 3.86 0.00 -1.53 -2.61 119.26 121.51 3kd7 h ALA 35 Ca 0.41 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 3kd7 h ALA 35 Cb 0.09 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 3kd7 h ALA 35 CO -0.14 0.65 -0.10 -0.07 0.00 0.00 0.00 179.25 179.58 3kd7 h LEU 36 N 1.11 0.00 -0.12 0.00 3.38 -1.13 0.20 115.31 118.74 3kd7 h LEU 36 Ca 0.25 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.06 3kd7 h LEU 36 Cb 0.22 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.97 3kd7 h LEU 36 CO -0.02 0.10 -0.56 -0.33 0.09 0.00 0.00 178.44 177.72 3kd7 h GLU 37 N 0.00 0.60 0.00 1.13 5.08 -1.00 -2.95 114.58 117.44 3kd7 h GLU 37 Ca -0.00 -0.48 -0.02 0.00 -1.00 0.00 0.00 59.36 57.86 3kd7 h GLU 37 Cb 0.70 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.04 3kd7 h GLU 37 CO 0.01 1.10 -0.18 -0.07 -1.00 0.00 0.00 179.01 178.88 3kd7 h LEU 38 N 0.24 0.00 -6.44 1.33 3.38 -1.32 -3.44 115.31 109.07 3kd7 h LEU 38 Ca -0.04 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.96 3kd7 h LEU 38 Cb 1.20 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 41.72 3kd7 h LEU 38 CO 0.12 0.10 -0.28 -0.62 0.09 0.00 0.00 178.44 177.85 3kd7 s ASP 39 N -6.19 -0.95 0.00 -0.43 2.15 0.67 -5.00 116.67 106.92 3kd7 s ASP 39 Ca 0.06 0.96 0.24 0.00 0.43 0.00 0.00 52.55 54.24 3kd7 s ASP 39 Cb 0.06 1.95 0.28 0.00 -0.30 0.00 0.00 42.92 44.92 3kd7 s ASP 39 CO 0.69 -0.25 1.32 -2.65 -0.17 0.00 0.00 175.17 174.11 3kd7 n PRO 40 N 5.42 2.35 -0.00 4.34 -0.02 -1.12 -3.49 135.00 142.48 3kd7 n PRO 40 Ca -0.05 -1.98 0.08 0.00 -2.02 0.00 0.00 63.50 59.53 3kd7 n PRO 40 Cb 0.50 -1.47 -0.11 0.00 -0.02 0.00 0.00 33.50 32.40 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 1.34 0.92 -4.56 2.55 3.02 -1.26 -4.92 115.26 112.35 3kd7 n ASN 41 Ca 0.16 -0.53 -0.38 0.00 -0.03 0.00 0.00 54.58 53.79 3kd7 n ASN 41 Cb 0.59 1.31 -0.03 0.00 -0.61 0.00 0.00 39.78 41.04 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 -3.11 5.09 0.41 6.41 2.47 -1.26 -4.85 114.94 120.11 3kd7 s ASN 42 Ca 0.01 0.67 0.07 0.00 0.42 0.00 0.00 52.86 54.03 3kd7 s ASN 42 Cb 0.12 -2.52 0.86 0.00 -1.45 0.00 0.00 41.25 38.26 3kd7 s ASN 42 CO 0.69 -2.45 2.04 0.00 -3.72 0.00 0.00 177.10 173.66 3kd7 h ALA 43 N 16.08 1.73 -0.42 1.71 0.00 -1.91 -2.10 119.26 134.35 3kd7 h ALA 43 Ca -0.26 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 3kd7 h ALA 43 Cb 1.19 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 3kd7 h ALA 43 CO 1.18 0.23 0.03 1.03 0.00 0.00 0.00 179.25 181.72 3kd7 h SER 44 N 0.57 0.63 -0.25 0.00 0.87 -1.92 -1.95 113.55 111.50 3kd7 h SER 44 Ca 0.18 -0.13 -0.15 0.00 -1.23 0.00 0.00 61.79 60.47 3kd7 h SER 44 Cb 0.02 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 61.81 3kd7 h SER 44 CO -0.04 0.68 -0.38 0.00 -0.53 0.00 0.00 176.83 176.56 3kd7 h ALA 45 N 1.40 0.70 -0.44 6.23 0.00 -1.78 0.53 119.26 125.90 3kd7 h ALA 45 Ca 0.13 -0.44 -0.09 0.00 0.00 0.00 0.00 54.91 54.51 3kd7 h ALA 45 Cb 0.35 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3kd7 h ALA 45 CO 0.01 0.66 -0.10 -1.49 0.00 0.00 0.00 179.25 178.33 3kd7 h TRP 46 N 0.65 0.86 0.04 0.00 4.06 -1.43 -1.44 115.95 118.69 3kd7 h TRP 46 Ca 0.06 -0.15 -0.00 0.00 2.06 0.00 0.00 58.89 60.85 3kd7 h TRP 46 Cb 0.93 -0.22 0.00 0.00 -1.00 0.00 0.00 29.16 28.87 3kd7 h TRP 46 CO 0.05 0.85 -0.02 -0.92 -3.56 0.00 0.00 178.44 174.84 3kd7 h TYR 47 N 0.71 -0.05 -0.57 0.49 3.20 -1.13 -1.31 116.97 118.31 3kd7 h TYR 47 Ca 0.12 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.98 3kd7 h TYR 47 Cb 0.58 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.84 3kd7 h TYR 47 CO 0.03 0.22 0.30 -0.91 -1.64 0.00 0.00 178.16 176.15 3kd7 h ASN 48 N -0.32 0.70 -0.34 -2.11 2.35 -0.87 -0.83 115.58 114.17 3kd7 h ASN 48 Ca -0.01 -0.06 -0.08 0.00 -0.55 0.00 0.00 56.30 55.61 3kd7 h ASN 48 Cb 0.29 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.46 3kd7 h ASN 48 CO 0.01 0.58 -0.06 0.25 -1.65 0.00 0.00 177.43 176.56 3kd7 h LEU 49 N 0.80 0.72 -1.26 1.61 5.85 -1.22 -2.37 115.31 119.44 3kd7 h LEU 49 Ca 0.20 -0.19 -0.05 0.00 0.84 0.00 0.00 57.88 58.68 3kd7 h LEU 49 Cb 0.04 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 3kd7 h LEU 49 CO -0.03 0.83 -0.04 1.23 -0.34 0.00 0.00 178.44 180.08 3kd7 h GLY 50 N 0.97 0.49 1.36 3.75 0.00 -0.02 -2.49 103.07 107.12 3kd7 h GLY 50 Ca 0.13 -0.29 -0.11 0.00 0.00 0.00 0.00 47.33 47.05 3kd7 h GLY 50 CO 0.03 0.27 -0.23 3.43 0.00 0.00 0.00 176.54 180.05 3kd7 h ASN 51 N 0.43 0.75 0.41 0.19 2.35 -0.89 -2.76 115.58 116.07 3kd7 h ASN 51 Ca 0.09 -0.27 -0.02 0.00 -0.55 0.00 0.00 56.30 55.55 3kd7 h ASN 51 Cb 0.35 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.52 3kd7 h ASN 51 CO 0.01 0.96 -0.19 0.00 -1.65 0.00 0.00 177.43 176.56 3kd7 h ALA 52 N 1.10 -0.54 -0.09 -0.83 0.00 -0.99 -1.62 119.26 116.27 3kd7 h ALA 52 Ca 0.09 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 3kd7 h ALA 52 Cb 0.73 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 3kd7 h ALA 52 CO 0.06 -0.74 -0.12 1.88 0.00 0.00 0.00 179.25 180.33 3kd7 h TYR 53 N -0.67 0.15 -0.14 0.00 -1.99 -1.58 -1.58 116.97 111.16 3kd7 h TYR 53 Ca -0.06 -0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.65 3kd7 h TYR 53 Cb 0.49 -0.04 -0.01 0.00 2.00 0.00 0.00 36.73 39.17 3kd7 h TYR 53 CO -0.02 0.27 0.04 -0.92 -0.00 0.00 0.00 178.16 177.53 3kd7 h TYR 54 N 0.14 0.23 -0.02 4.88 3.20 -1.35 0.11 116.97 124.16 3kd7 h TYR 54 Ca 0.03 -0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.83 3kd7 h TYR 54 Cb 0.30 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 3kd7 h TYR 54 CO 0.00 0.36 -0.21 -0.22 -1.64 0.00 0.00 178.16 176.46 3kd7 h LYS 55 N 0.03 0.03 0.00 1.82 1.63 -0.93 -1.18 116.57 117.97 3kd7 h LYS 55 Ca 0.04 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.84 3kd7 h LYS 55 Cb 0.25 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.87 3kd7 h LYS 55 CO -0.00 0.24 0.00 1.04 -3.45 0.00 0.00 179.45 177.28 3kd7 n GLN 56 N -4.28 0.11 -0.77 1.90 6.02 -0.63 -4.89 117.38 114.85 3kd7 n GLN 56 Ca -0.02 0.25 0.00 0.00 -0.01 0.00 0.00 57.00 57.22 3kd7 n GLN 56 Cb 0.28 -1.68 0.00 0.00 1.02 0.00 0.00 30.24 29.86 3kd7 n GLN 56 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kd7 n GLY 57 N 0.54 0.80 3.50 1.08 0.00 -0.45 -4.98 105.19 105.68 3kd7 n GLY 57 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 3kd7 n GLY 57 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kd7 s ASP 58 N -2.67 6.91 0.21 1.61 -1.08 0.36 -4.81 116.67 117.19 3kd7 s ASP 58 Ca 0.00 -2.61 0.07 0.00 -0.52 0.00 0.00 52.55 49.49 3kd7 s ASP 58 Cb 0.00 -2.46 0.12 0.00 -1.46 0.00 0.00 42.92 39.12 3kd7 s ASP 58 CO 0.00 -0.95 1.47 1.88 0.52 0.00 0.00 175.17 178.09 3kd7 h TYR 59 N 7.70 0.10 -0.34 -5.34 0.99 -1.88 -2.69 116.97 115.52 3kd7 h TYR 59 Ca 0.32 -0.05 0.05 0.00 2.00 0.00 0.00 58.73 61.05 3kd7 h TYR 59 Cb 0.91 -0.01 -0.05 0.00 1.00 0.00 0.00 36.73 38.57 3kd7 h TYR 59 CO 1.20 0.81 0.04 1.96 -0.00 0.00 0.00 178.16 182.18 3kd7 h GLN 60 N 0.04 0.15 -0.12 4.88 4.20 -1.92 -1.92 115.11 120.43 3kd7 h GLN 60 Ca -0.02 -0.01 -0.16 0.00 0.06 0.00 0.00 58.65 58.53 3kd7 h GLN 60 Cb 1.36 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 29.10 3kd7 h GLN 60 CO 0.11 0.10 -0.60 0.87 -0.67 0.00 0.00 178.83 178.64 3kd7 h LYS 61 N 0.15 0.39 -0.14 1.46 1.57 -1.93 -2.89 116.57 115.18 3kd7 h LYS 61 Ca 0.16 -0.26 0.01 0.00 -1.87 0.00 0.00 60.65 58.69 3kd7 h LYS 61 Cb 0.20 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 3kd7 h LYS 61 CO -0.24 0.87 0.07 0.00 -0.57 0.00 0.00 179.45 179.58 3kd7 h ALA 62 N 1.07 0.17 -0.26 3.86 0.00 -1.13 0.20 119.26 123.17 3kd7 h ALA 62 Ca -0.00 0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.97 3kd7 h ALA 62 Cb 1.12 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.84 3kd7 h ALA 62 CO 0.10 -0.37 -0.10 0.82 0.00 0.00 0.00 179.25 179.70 3kd7 h ILE 63 N 0.15 0.67 -0.49 0.00 2.04 -1.38 0.17 117.51 118.66 3kd7 h ILE 63 Ca 0.06 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.97 3kd7 h ILE 63 Cb 0.01 0.67 -0.05 0.00 -0.74 0.00 0.00 36.82 36.71 3kd7 h ILE 63 CO -0.04 0.00 0.21 -0.08 0.00 0.00 0.00 178.15 178.24 3kd7 h GLU 64 N -0.05 0.40 0.00 2.37 4.81 -1.20 -0.95 114.58 119.97 3kd7 h GLU 64 Ca 0.13 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.24 3kd7 h GLU 64 Cb 0.25 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 3kd7 h GLU 64 CO -0.30 0.26 -0.58 1.88 -0.73 0.00 0.00 179.01 179.54 3kd7 h TYR 65 N 0.41 0.00 -0.24 0.92 0.05 -0.32 -3.15 116.97 114.64 3kd7 h TYR 65 Ca 0.23 0.00 -0.15 0.00 0.05 0.00 0.00 58.73 58.85 3kd7 h TYR 65 Cb 0.20 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.93 3kd7 h TYR 65 CO -0.13 0.43 -0.48 1.88 -1.05 0.00 0.00 178.16 178.81 3kd7 h TYR 66 N 0.00 0.79 -0.82 4.88 0.99 -0.43 -3.21 116.97 119.17 3kd7 h TYR 66 Ca -0.02 -0.26 -0.04 0.00 2.00 0.00 0.00 58.73 60.41 3kd7 h TYR 66 Cb 1.35 -0.16 -0.04 0.00 1.00 0.00 0.00 36.73 38.89 3kd7 h TYR 66 CO 0.00 1.00 0.35 0.37 -0.00 0.00 0.00 178.16 179.88 3kd7 h GLN 67 N 0.51 1.21 0.00 4.88 4.15 -1.14 -0.89 115.11 123.84 3kd7 h GLN 67 Ca 0.03 -0.21 -0.06 0.00 0.77 0.00 0.00 58.65 59.18 3kd7 h GLN 67 Cb 1.03 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 28.50 3kd7 h GLN 67 CO 0.10 0.96 -0.28 0.87 -1.93 0.00 0.00 178.83 178.55 3kd7 h LYS 68 N 1.19 0.00 0.00 1.69 1.57 -1.62 0.40 116.57 119.80 3kd7 h LYS 68 Ca 0.28 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.91 3kd7 h LYS 68 Cb 0.19 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 3kd7 h LYS 68 CO -0.03 0.28 -0.71 0.00 -0.57 0.00 0.00 179.45 178.43 3kd7 h ALA 69 N 1.72 0.63 0.04 3.86 0.00 -1.35 -3.09 119.26 121.06 3kd7 h ALA 69 Ca -0.00 -0.65 -0.23 0.00 0.00 0.00 0.00 54.91 54.03 3kd7 h ALA 69 Cb 0.59 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3kd7 h ALA 69 CO 0.04 0.89 -1.09 -0.07 0.00 0.00 0.00 179.25 179.01 3kd7 h LEU 70 N 0.00 0.12 -1.22 0.00 3.38 -0.63 -2.05 115.31 114.91 3kd7 h LEU 70 Ca -0.01 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.78 3kd7 h LEU 70 Cb 1.43 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.13 3kd7 h LEU 70 CO 0.09 1.11 -0.23 -0.33 0.09 0.00 0.00 178.44 179.17 3kd7 h GLU 71 N 0.02 0.00 0.00 1.13 5.08 -0.96 -2.95 114.58 116.90 3kd7 h GLU 71 Ca -0.05 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.08 3kd7 h GLU 71 Cb 1.84 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 31.04 3kd7 h GLU 71 CO 0.15 0.23 -2.23 1.28 -1.00 0.00 0.00 179.01 177.44 3kd7 n LEU 72 N -3.46 0.00 -3.46 1.33 4.77 -1.17 -4.86 117.00 110.16 3kd7 n LEU 72 Ca -0.00 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.86 3kd7 n LEU 72 Cb 0.41 0.31 -0.10 0.00 -2.33 0.00 0.00 43.42 41.71 3kd7 n LEU 72 CO 0.33 0.31 -0.09 -0.62 -1.33 0.00 0.00 177.39 175.99 3kd7 s ASP 73 N -5.09 0.45 0.00 -1.43 2.15 -0.77 -4.98 116.67 106.99 3kd7 s ASP 73 Ca -0.09 0.26 0.21 0.00 0.43 0.00 0.00 52.55 53.36 3kd7 s ASP 73 Cb 0.09 0.93 0.36 0.00 -0.30 0.00 0.00 42.92 44.00 3kd7 s ASP 73 CO 0.85 -0.29 1.32 -0.81 -0.17 0.00 0.00 175.17 176.06 3kd7 n PRO 74 N 5.36 2.32 0.00 4.34 -0.04 -1.12 -3.74 135.00 142.12 3kd7 n PRO 74 Ca -0.05 -2.13 0.12 0.00 -0.04 0.00 0.00 63.50 61.41 3kd7 n PRO 74 Cb 0.50 -1.45 0.30 0.00 -0.04 0.00 0.00 33.50 32.80 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 1.30 0.93 -4.57 3.54 4.13 -1.26 -4.79 115.26 114.53 3kd7 n ASN 75 Ca 0.17 -0.74 -0.42 0.00 1.68 0.00 0.00 54.58 55.27 3kd7 n ASN 75 Cb 0.55 0.23 -0.03 0.00 -1.54 0.00 0.00 39.78 38.99 3kd7 n ASN 75 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 3kd7 s ASN 76 N -2.67 6.34 0.21 6.41 3.84 -1.26 -4.89 114.94 122.92 3kd7 s ASN 76 Ca 0.19 0.05 -0.02 0.00 0.21 0.00 0.00 52.86 53.29 3kd7 s ASN 76 Cb 0.18 -2.55 0.16 0.00 -0.55 0.00 0.00 41.25 38.49 3kd7 s ASN 76 CO 0.59 -1.58 1.55 0.00 -2.79 0.00 0.00 177.10 174.87 3kd7 h ALA 77 N 9.89 0.77 0.00 1.71 0.00 -1.89 -3.02 119.26 126.73 3kd7 h ALA 77 Ca -0.26 -0.47 -0.03 0.00 0.00 0.00 0.00 54.91 54.15 3kd7 h ALA 77 Cb 1.06 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 3kd7 h ALA 77 CO 1.20 0.67 -0.14 0.87 0.00 0.00 0.00 179.25 181.85 3kd7 h LYS 78 N 0.45 0.00 0.12 0.00 1.57 -1.91 0.16 116.57 116.97 3kd7 h LYS 78 Ca 0.03 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.53 3kd7 h LYS 78 Cb 1.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.31 3kd7 h LYS 78 CO 0.09 0.14 -1.23 0.00 -0.57 0.00 0.00 179.45 177.88 3kd7 h ALA 79 N 1.86 0.11 -0.27 3.86 0.00 -1.94 -2.50 119.26 120.37 3kd7 h ALA 79 Ca -0.00 -0.88 -0.08 0.00 0.00 0.00 0.00 54.91 53.94 3kd7 h ALA 79 Cb 0.41 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3kd7 h ALA 79 CO 0.02 0.98 -0.16 -1.49 0.00 0.00 0.00 179.25 178.60 3kd7 h TRP 80 N 0.07 0.67 -0.51 0.00 4.06 -1.25 -2.64 115.95 116.36 3kd7 h TRP 80 Ca -0.13 -0.17 -0.03 0.00 2.06 0.00 0.00 58.89 60.62 3kd7 h TRP 80 Cb 1.96 -0.15 -0.02 0.00 -1.00 0.00 0.00 29.16 29.95 3kd7 h TRP 80 CO 0.06 0.84 0.21 -0.92 -3.56 0.00 0.00 178.44 175.07 3kd7 h TYR 81 N 0.30 0.77 0.00 0.49 3.20 -0.78 -2.03 116.97 118.93 3kd7 h TYR 81 Ca 0.06 -0.06 -0.12 0.00 3.14 0.00 0.00 58.73 61.75 3kd7 h TYR 81 Cb 0.68 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.70 3kd7 h TYR 81 CO 0.06 0.64 -0.58 0.00 -1.64 0.00 0.00 178.16 176.64 3kd7 h ARG 82 N 0.68 0.00 -0.09 1.82 3.08 -1.51 -0.58 114.38 117.78 3kd7 h ARG 82 Ca 0.17 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.09 3kd7 h ARG 82 Cb 0.19 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 3kd7 h ARG 82 CO -0.01 0.58 -0.51 -0.09 -1.07 0.00 0.00 179.97 178.86 3kd7 h ARG 83 N 0.00 0.23 -0.30 0.04 2.43 -1.47 -1.26 114.38 114.06 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 1.43 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.97 3kd7 h ARG 83 CO 0.08 0.69 0.19 0.78 -1.51 0.00 0.00 179.97 180.19 3kd7 h GLY 84 N 1.36 0.43 1.44 2.80 0.00 -0.96 0.20 103.07 108.34 3kd7 h GLY 84 Ca 0.01 -0.18 0.01 0.00 0.00 0.00 0.00 47.33 47.16 3kd7 h GLY 84 CO 0.08 0.17 0.38 3.43 0.00 0.00 0.00 176.54 180.60 3kd7 h ASN 85 N 0.39 0.65 -0.14 0.19 2.35 -0.95 -0.68 115.58 117.39 3kd7 h ASN 85 Ca 0.11 -0.02 -0.18 0.00 -0.55 0.00 0.00 56.30 55.66 3kd7 h ASN 85 Cb -0.00 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.20 3kd7 h ASN 85 CO -0.02 0.47 -0.56 0.00 -1.65 0.00 0.00 177.43 175.67 3kd7 h ALA 86 N 1.64 0.56 -0.30 -0.83 0.00 -0.79 -0.73 119.26 118.81 3kd7 h ALA 86 Ca 0.21 -0.52 -0.14 0.00 0.00 0.00 0.00 54.91 54.46 3kd7 h ALA 86 Cb -0.09 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3kd7 h ALA 86 CO -0.05 0.69 -0.38 1.88 0.00 0.00 0.00 179.25 181.39 3kd7 h TYR 87 N 0.56 0.82 -0.41 0.00 0.99 -0.67 -2.70 116.97 115.56 3kd7 h TYR 87 Ca 0.01 -0.24 -0.02 0.00 2.00 0.00 0.00 58.73 60.48 3kd7 h TYR 87 Cb 1.15 -0.18 -0.02 0.00 1.00 0.00 0.00 36.73 38.68 3kd7 h TYR 87 CO 0.06 0.97 0.18 -0.92 -0.00 0.00 0.00 178.16 178.45 3kd7 h TYR 88 N 0.57 0.61 -0.14 4.88 3.20 -1.04 0.23 116.97 125.29 3kd7 h TYR 88 Ca 0.05 -0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.85 3kd7 h TYR 88 Cb 0.91 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.99 3kd7 h TYR 88 CO 0.04 0.52 -0.05 0.87 -1.64 0.00 0.00 178.16 177.91 3kd7 h LYS 89 N 0.53 0.21 0.06 1.82 1.79 -1.04 -2.72 116.57 117.23 3kd7 h LYS 89 Ca 0.14 -0.03 -0.25 0.00 -2.18 0.00 0.00 60.65 58.32 3kd7 h LYS 89 Cb 0.15 -0.04 0.01 0.00 -1.58 0.00 0.00 32.23 30.78 3kd7 h LYS 89 CO -0.01 0.28 -1.09 1.96 -1.08 0.00 0.00 179.45 179.51 3kd7 h GLN 90 N 0.21 0.39 0.00 3.15 4.20 -1.35 -3.48 115.11 118.23 3kd7 h GLN 90 Ca 0.05 -0.51 0.00 0.00 0.06 0.00 0.00 58.65 58.25 3kd7 h GLN 90 Cb 0.23 0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.18 3kd7 h GLN 90 CO 0.01 1.18 0.00 0.41 -0.67 0.00 0.00 178.83 179.76 3kd7 n GLY 91 N 1.21 1.00 3.48 3.46 0.00 -0.88 -5.07 105.19 108.39 3kd7 n GLY 91 Ca -0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 3kd7 n GLY 91 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kd7 s ASP 92 N -0.17 6.70 0.15 1.61 -1.08 0.02 -4.83 116.67 119.07 3kd7 s ASP 92 Ca 0.00 -2.14 0.08 0.00 -0.52 0.00 0.00 52.55 49.97 3kd7 s ASP 92 Cb 0.00 -2.44 -0.10 0.00 -1.46 0.00 0.00 42.92 38.92 3kd7 s ASP 92 CO 0.00 -1.09 1.34 1.88 0.52 0.00 0.00 175.17 177.82 3kd7 h TYR 93 N 8.63 0.00 0.49 -5.34 -1.99 -1.90 -2.83 116.97 114.03 3kd7 h TYR 93 Ca 0.21 -0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.93 3kd7 h TYR 93 Cb 0.99 -0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.70 3kd7 h TYR 93 CO 1.19 0.93 -0.39 1.96 -0.00 0.00 0.00 178.16 181.85 3kd7 h GLN 94 N 0.00 -0.84 0.00 4.88 1.08 -1.94 -1.22 115.11 117.06 3kd7 h GLN 94 Ca -0.01 0.06 -0.03 0.00 -1.45 0.00 0.00 58.65 57.22 3kd7 h GLN 94 Cb 1.64 0.19 -0.00 0.00 -0.05 0.00 0.00 27.48 29.26 3kd7 h GLN 94 CO 0.12 -0.56 -0.15 0.87 -0.95 0.00 0.00 178.83 178.16 3kd7 h LYS 95 N -0.87 0.00 0.23 1.46 1.57 -1.95 -2.25 116.57 114.76 3kd7 h LYS 95 Ca -0.05 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 3kd7 h LYS 95 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.06 3kd7 h LYS 95 CO -0.00 0.15 -0.11 0.00 -0.57 0.00 0.00 179.45 178.91 3kd7 h ALA 96 N 1.85 -0.31 -0.50 3.86 0.00 -1.29 -2.31 119.26 120.56 3kd7 h ALA 96 Ca -0.00 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 54.82 3kd7 h ALA 96 Cb 0.43 0.12 -0.09 0.00 0.00 0.00 0.00 17.79 18.25 3kd7 h ALA 96 CO 0.02 -0.48 -0.10 0.82 0.00 0.00 0.00 179.25 179.51 3kd7 h ILE 97 N -0.71 0.53 -0.72 0.00 2.04 -0.97 0.36 117.51 118.04 3kd7 h ILE 97 Ca -0.03 -0.01 0.03 0.00 1.00 0.00 0.00 64.86 65.85 3kd7 h ILE 97 Cb 0.49 0.50 -0.05 0.00 -0.74 0.00 0.00 36.82 37.02 3kd7 h ILE 97 CO 0.05 0.00 0.45 -0.08 0.00 0.00 0.00 178.15 178.58 3kd7 h GLU 98 N 0.02 0.85 -0.22 2.37 4.81 -1.45 -0.93 114.58 120.03 3kd7 h GLU 98 Ca 0.24 -0.05 -0.17 0.00 -0.13 0.00 0.00 59.36 59.25 3kd7 h GLU 98 Cb 0.37 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.55 3kd7 h GLU 98 CO -0.49 0.56 -0.53 -0.44 -0.73 0.00 0.00 179.01 177.38 3kd7 h ASP 99 N 0.88 0.72 -0.35 1.04 5.19 -0.84 -2.93 116.42 120.14 3kd7 h ASP 99 Ca 0.29 -0.38 -0.03 0.00 -0.62 0.00 0.00 57.03 56.30 3kd7 h ASP 99 Cb 0.03 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.32 3kd7 h ASP 99 CO -0.12 1.12 0.11 1.88 -3.12 0.00 0.00 179.24 179.11 3kd7 h TYR 100 N 0.50 0.56 -0.82 4.55 0.99 -0.56 -1.67 116.97 120.52 3kd7 h TYR 100 Ca 0.01 -0.06 0.02 0.00 2.00 0.00 0.00 58.73 60.71 3kd7 h TYR 100 Cb 1.09 -0.16 -0.04 0.00 1.00 0.00 0.00 36.73 38.62 3kd7 h TYR 100 CO 0.05 0.55 0.54 1.96 -0.00 0.00 0.00 178.16 181.25 3kd7 h GLN 101 N 0.41 1.04 -0.05 4.88 4.20 -1.20 -0.97 115.11 123.43 3kd7 h GLN 101 Ca 0.11 -0.06 -0.11 0.00 0.06 0.00 0.00 58.65 58.65 3kd7 h GLN 101 Cb 0.25 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 3kd7 h GLN 101 CO -0.00 0.69 -0.47 -0.22 -0.67 0.00 0.00 178.83 178.16 3kd7 h LYS 102 N 1.07 0.12 0.00 1.46 1.63 -1.44 -0.49 116.57 118.92 3kd7 h LYS 102 Ca 0.31 -0.06 -0.08 0.00 -0.85 0.00 0.00 60.65 59.97 3kd7 h LYS 102 Cb -0.06 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.56 3kd7 h LYS 102 CO -0.09 0.57 -0.37 0.00 -3.45 0.00 0.00 179.45 176.11 3kd7 h ALA 103 N 1.43 1.04 0.00 5.00 0.00 -0.46 -3.23 119.26 123.04 3kd7 h ALA 103 Ca 0.00 -0.34 -0.25 0.00 0.00 0.00 0.00 54.91 54.33 3kd7 h ALA 103 Cb 0.87 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 3kd7 h ALA 103 CO 0.07 0.46 -1.80 1.28 0.00 0.00 0.00 179.25 179.26 3kd7 n LEU 104 N -3.59 0.59 0.17 0.00 4.77 -0.45 -4.11 117.00 114.37 3kd7 n LEU 104 Ca -0.00 0.27 0.12 0.00 -0.03 0.00 0.00 56.01 56.36 3kd7 n LEU 104 Cb 0.49 0.21 0.60 0.00 -2.33 0.00 0.00 43.42 42.39 3kd7 n LEU 104 CO 0.37 0.31 0.86 -0.33 -1.33 0.00 0.00 177.39 177.26 3kd7 h GLU 105 N 0.00 0.00 -0.74 3.23 5.08 -1.10 -2.88 114.58 118.17 3kd7 h GLU 105 Ca -0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 3kd7 h GLU 105 Cb 1.86 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.11 3kd7 h GLU 105 CO 0.05 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.34 3kd7 n LEU 106 N -2.30 2.09 0.00 1.33 4.77 -1.25 -5.10 117.00 116.54 3kd7 n LEU 106 Ca -0.01 -1.05 0.03 0.00 -0.03 0.00 0.00 56.01 54.95 3kd7 n LEU 106 Cb 0.09 -0.47 0.16 0.00 -2.33 0.00 0.00 43.42 40.87 3kd7 n LEU 106 CO 0.13 0.34 0.39 0.47 -1.33 0.00 0.00 177.39 177.39