#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ng6 s SER 2 N 0.00 3.45 0.20 6.12 1.04 -1.26 -4.80 113.70 118.45 1ng6 s SER 2 Ca 0.00 1.35 -0.11 0.00 0.48 0.00 0.00 55.95 57.67 1ng6 s SER 2 Cb 0.00 -2.03 0.14 0.00 0.10 0.00 0.00 66.02 64.23 1ng6 s SER 2 CO 0.00 -2.63 1.85 0.25 0.98 0.00 0.00 173.24 173.69 1ng6 h LEU 3 N -1.55 0.72 -0.76 2.42 5.85 -2.03 -0.09 115.31 119.89 1ng6 h LEU 3 Ca -0.50 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.11 1ng6 h LEU 3 Cb 1.29 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.14 1ng6 h LEU 3 CO 0.57 0.51 -0.05 -0.07 -0.34 0.00 0.00 178.44 179.06 1ng6 h LEU 4 N 0.86 0.87 -0.81 2.25 3.38 -1.99 0.04 115.31 119.91 1ng6 h LEU 4 Ca 0.25 -0.25 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 1ng6 h LEU 4 Cb -0.05 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 1ng6 h LEU 4 CO -0.08 0.97 -0.09 -0.33 0.09 0.00 0.00 178.44 179.00 1ng6 h GLU 5 N 0.81 0.80 -0.20 1.13 5.08 -1.80 -0.65 114.58 119.74 1ng6 h GLU 5 Ca 0.14 -0.26 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 1ng6 h GLU 5 Cb 0.56 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1ng6 h GLU 5 CO 0.03 0.86 0.05 -0.09 -1.00 0.00 0.00 179.01 178.86 1ng6 h ARG 6 N 0.72 0.33 -0.66 2.33 2.43 -0.59 -1.26 114.38 117.69 1ng6 h ARG 6 Ca 0.13 -0.08 -0.04 0.00 -0.81 0.00 0.00 59.98 59.18 1ng6 h ARG 6 Cb 0.57 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.05 1ng6 h ARG 6 CO 0.04 0.45 0.26 -0.07 -1.51 0.00 0.00 179.97 179.14 1ng6 h LEU 7 N 0.14 0.91 -0.68 3.80 3.38 -0.82 -0.50 115.31 121.54 1ng6 h LEU 7 Ca 0.06 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 1ng6 h LEU 7 Cb 0.28 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1ng6 h LEU 7 CO 0.00 0.84 0.27 0.78 0.09 0.00 0.00 178.44 180.42 1ng6 h ASN 8 N 0.93 0.93 -0.51 -0.43 2.35 -1.01 0.80 115.58 118.63 1ng6 h ASN 8 Ca 0.22 -0.17 -0.02 0.00 -0.55 0.00 0.00 56.30 55.78 1ng6 h ASN 8 Cb 0.21 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 1ng6 h ASN 8 CO -0.02 0.84 0.22 -0.61 -1.65 0.00 0.00 177.43 176.22 1ng6 h GLN 9 N 0.96 0.74 -0.24 0.81 4.15 -0.91 -2.66 115.11 117.97 1ng6 h GLN 9 Ca 0.23 -0.12 -0.10 0.00 0.77 0.00 0.00 58.65 59.42 1ng6 h GLN 9 Cb 0.20 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.75 1ng6 h GLN 9 CO -0.02 0.64 -0.28 -0.44 -1.93 0.00 0.00 178.83 176.80 1ng6 h ASP 10 N 0.68 0.47 -0.42 -0.69 3.32 -0.78 -1.99 116.42 117.01 1ng6 h ASP 10 Ca 0.17 -0.17 0.06 0.00 0.02 0.00 0.00 57.03 57.12 1ng6 h ASP 10 Cb 0.16 -0.13 -0.05 0.00 0.22 0.00 0.00 39.33 39.53 1ng6 h ASP 10 CO -0.02 0.74 0.11 0.24 -1.72 0.00 0.00 179.24 178.60 1ng6 h MET 11 N 0.41 0.25 -0.53 3.56 2.86 -0.51 0.11 114.93 121.08 1ng6 h MET 11 Ca 0.06 -0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.63 1ng6 h MET 11 Cb 0.70 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.28 1ng6 h MET 11 CO 0.05 0.17 0.15 0.87 1.06 0.00 0.00 176.91 179.21 1ng6 h LYS 12 N 0.26 0.84 -0.53 1.72 1.57 -1.21 -1.46 116.57 117.76 1ng6 h LYS 12 Ca 0.20 -0.19 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1ng6 h LYS 12 Cb 0.23 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.40 1ng6 h LYS 12 CO -0.24 0.78 0.31 1.25 -0.57 0.00 0.00 179.45 180.99 1ng6 h LEU 13 N 0.74 0.64 -0.76 2.94 5.85 -0.64 -0.62 115.31 123.46 1ng6 h LEU 13 Ca 0.17 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 1ng6 h LEU 13 Cb 0.31 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.17 1ng6 h LEU 13 CO -0.00 0.51 -0.15 1.88 -0.34 0.00 0.00 178.44 180.34 1ng6 h TYR 14 N 0.71 0.00 -0.07 1.25 0.05 -0.69 0.92 116.97 119.13 1ng6 h TYR 14 Ca 0.19 0.00 -0.22 0.00 0.05 0.00 0.00 58.73 58.75 1ng6 h TYR 14 Cb -0.00 0.00 0.01 0.00 1.01 0.00 0.00 36.73 37.75 1ng6 h TYR 14 CO -0.02 0.15 -0.81 0.52 -1.05 0.00 0.00 178.16 176.95 1ng6 h MET 15 N 0.00 0.68 -0.10 4.88 2.86 -0.86 0.12 114.93 122.51 1ng6 h MET 15 Ca -0.00 -0.63 -0.03 0.00 -2.06 0.00 0.00 59.70 56.97 1ng6 h MET 15 Cb 0.84 0.15 -0.00 0.00 0.06 0.00 0.00 31.60 32.65 1ng6 h MET 15 CO 0.02 1.23 -0.07 -0.22 1.06 0.00 0.00 176.91 178.93 1ng6 h LYS 16 N 0.35 0.23 -0.14 1.72 3.64 -0.87 -3.12 116.57 118.37 1ng6 h LYS 16 Ca -0.08 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 1ng6 h LYS 16 Cb 1.46 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.27 1ng6 h LYS 16 CO 0.16 0.61 0.00 0.09 -2.27 0.00 0.00 179.45 178.04 1ng6 n ASN 17 N -4.69 0.94 -3.67 4.20 3.02 0.30 -4.94 115.26 110.43 1ng6 n ASN 17 Ca -0.07 -1.81 -0.21 0.00 -0.03 0.00 0.00 54.58 52.46 1ng6 n ASN 17 Cb 0.30 -0.09 0.04 0.00 -0.61 0.00 0.00 39.78 39.41 1ng6 n ASN 17 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1ng6 n ARG 18 N -0.06 -5.14 -3.44 3.52 1.74 -0.68 -4.94 116.66 107.66 1ng6 n ARG 18 Ca 0.10 0.65 -0.41 0.00 -0.77 0.00 0.00 57.85 57.42 1ng6 n ARG 18 Cb 0.18 -5.27 -0.03 0.00 -1.02 0.00 0.00 32.46 26.32 1ng6 n ARG 18 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1ng6 n GLU 19 N -4.26 3.24 -0.10 5.56 -0.58 0.35 -4.92 120.64 119.92 1ng6 n GLU 19 Ca -0.30 -4.48 -0.05 0.00 -0.42 0.00 0.00 57.16 51.91 1ng6 n GLU 19 Cb 0.68 -2.49 0.02 0.00 -0.57 0.00 0.00 31.44 29.08 1ng6 n GLU 19 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 1ng6 h LYS 20 N 6.25 0.14 -0.82 3.49 3.64 -1.92 -0.57 116.57 126.78 1ng6 h LYS 20 Ca 0.18 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1ng6 h LYS 20 Cb 0.82 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.57 1ng6 h LYS 20 CO 0.97 0.09 0.51 -0.44 -2.27 0.00 0.00 179.45 178.32 1ng6 h ASP 21 N 0.15 0.97 -0.43 4.20 3.32 -1.97 -1.53 116.42 121.13 1ng6 h ASP 21 Ca 0.17 -0.05 -0.08 0.00 0.02 0.00 0.00 57.03 57.10 1ng6 h ASP 21 Cb 0.22 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 1ng6 h ASP 21 CO -0.26 0.74 -0.03 0.11 -1.72 0.00 0.00 179.24 178.08 1ng6 h LYS 22 N 1.12 0.78 -0.44 3.56 1.57 -1.88 -2.81 116.57 118.47 1ng6 h LYS 22 Ca 0.30 -0.26 0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1ng6 h LYS 22 Cb -0.07 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 1ng6 h LYS 22 CO -0.06 0.86 0.29 1.25 -0.57 0.00 0.00 179.45 181.22 1ng6 h LEU 23 N 0.61 0.49 0.02 2.94 5.85 -0.78 -1.48 115.31 122.96 1ng6 h LEU 23 Ca 0.12 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.83 1ng6 h LEU 23 Cb 0.53 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 1ng6 h LEU 23 CO 0.03 0.35 -0.04 0.74 -0.34 0.00 0.00 178.44 179.18 1ng6 h THR 24 N 0.58 0.89 -0.21 1.05 2.02 -1.23 -1.15 112.91 114.86 1ng6 h THR 24 Ca 0.16 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.37 1ng6 h THR 24 Cb -0.06 0.89 -0.03 0.00 -1.74 0.00 0.00 68.15 67.22 1ng6 h THR 24 CO -0.04 0.00 0.05 0.58 0.37 0.00 0.00 175.52 176.47 1ng6 h VAL 25 N -0.08 0.91 -0.54 3.16 2.07 -1.37 -1.22 116.25 119.19 1ng6 h VAL 25 Ca 0.01 -0.05 0.04 0.00 0.82 0.00 0.00 66.70 67.53 1ng6 h VAL 25 Cb 0.10 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 30.59 1ng6 h VAL 25 CO -0.03 0.02 0.29 0.58 0.02 0.00 0.00 177.57 178.46 1ng6 h VAL 26 N 0.13 1.00 0.00 2.57 2.07 -1.01 -0.62 116.25 120.39 1ng6 h VAL 26 Ca 0.10 -0.20 -0.11 0.00 0.82 0.00 0.00 66.70 67.31 1ng6 h VAL 26 Cb 0.09 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 1ng6 h VAL 26 CO -0.12 0.10 -0.51 0.08 0.02 0.00 0.00 177.57 177.14 1ng6 h ARG 27 N 0.57 0.00 -0.25 1.57 0.11 -1.04 -1.53 114.38 113.82 1ng6 h ARG 27 Ca 0.23 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 60.23 1ng6 h ARG 27 Cb 0.10 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.17 1ng6 h ARG 27 CO -0.14 0.51 -0.15 0.52 0.10 0.00 0.00 179.97 180.82 1ng6 h MET 28 N 0.00 0.55 -0.48 0.08 2.86 -0.76 -1.08 114.93 116.10 1ng6 h MET 28 Ca -0.01 -0.25 -0.04 0.00 -2.06 0.00 0.00 59.70 57.34 1ng6 h MET 28 Cb 1.15 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.78 1ng6 h MET 28 CO 0.07 0.81 0.12 0.28 1.06 0.00 0.00 176.91 179.26 1ng6 h VAL 29 N 0.27 1.23 -0.41 -2.22 2.07 -1.07 -1.72 116.25 114.41 1ng6 h VAL 29 Ca 0.05 -0.81 0.04 0.00 0.82 0.00 0.00 66.70 66.80 1ng6 h VAL 29 Cb 0.66 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 31.25 1ng6 h VAL 29 CO 0.04 0.29 0.18 0.50 0.02 0.00 0.00 177.57 178.61 1ng6 h LYS 30 N 0.64 0.37 -1.00 1.57 3.64 -1.18 -1.62 116.57 118.99 1ng6 h LYS 30 Ca 0.15 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.54 1ng6 h LYS 30 Cb 0.31 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 31.99 1ng6 h LYS 30 CO 0.00 0.24 0.66 0.00 -2.27 0.00 0.00 179.45 178.08 1ng6 h ALA 31 N 1.24 1.31 -0.62 5.00 0.00 -0.91 -0.91 119.26 124.36 1ng6 h ALA 31 Ca 0.18 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1ng6 h ALA 31 Cb 0.12 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 1ng6 h ALA 31 CO -0.15 0.58 0.17 0.77 0.00 0.00 0.00 179.25 180.62 1ng6 h SER 32 N 1.29 0.89 -0.52 0.00 0.02 -0.62 0.20 113.55 114.81 1ng6 h SER 32 Ca 0.39 -0.16 -0.10 0.00 -0.84 0.00 0.00 61.79 61.07 1ng6 h SER 32 Cb -0.05 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.24 1ng6 h SER 32 CO -0.11 0.86 -0.07 -0.07 -1.14 0.00 0.00 176.83 176.29 1ng6 h LEU 33 N 0.92 0.97 -0.54 5.07 3.38 -0.58 -1.74 115.31 122.78 1ng6 h LEU 33 Ca 0.20 -0.34 -0.14 0.00 0.09 0.00 0.00 57.88 57.69 1ng6 h LEU 33 Cb 0.30 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1ng6 h LEU 33 CO -0.00 1.08 -0.31 1.56 0.09 0.00 0.00 178.44 180.85 1ng6 h GLN 34 N 0.84 0.84 -0.25 1.13 4.20 -0.73 -2.89 115.11 118.25 1ng6 h GLN 34 Ca 0.14 -0.40 -0.09 0.00 0.06 0.00 0.00 58.65 58.36 1ng6 h GLN 34 Cb 0.63 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.38 1ng6 h GLN 34 CO 0.04 1.03 -0.25 -0.91 -0.67 0.00 0.00 178.83 178.08 1ng6 h ASN 35 N 0.71 0.48 -0.57 1.46 2.35 -0.48 -1.48 115.58 118.05 1ng6 h ASN 35 Ca 0.08 -0.16 -0.11 0.00 -0.55 0.00 0.00 56.30 55.55 1ng6 h ASN 35 Cb 0.87 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 39.09 1ng6 h ASN 35 CO 0.08 0.73 -0.07 -0.08 -1.65 0.00 0.00 177.43 176.43 1ng6 h GLU 36 N 0.42 1.06 -0.33 0.81 4.57 -1.22 -0.19 114.58 119.70 1ng6 h GLU 36 Ca 0.06 -0.38 -0.11 0.00 -1.18 0.00 0.00 59.36 57.76 1ng6 h GLU 36 Cb 0.66 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.16 1ng6 h GLU 36 CO 0.05 1.07 -0.26 0.00 -1.18 0.00 0.00 179.01 178.69 1ng6 h ALA 37 N 0.95 0.93 -0.42 2.92 0.00 -1.29 -2.11 119.26 120.24 1ng6 h ALA 37 Ca 0.15 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 1ng6 h ALA 37 Cb 0.65 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1ng6 h ALA 37 CO 0.04 0.61 0.07 0.82 0.00 0.00 0.00 179.25 180.80 1ng6 h ILE 38 N 0.57 1.24 -0.66 0.00 2.04 -0.98 -0.28 117.51 119.45 1ng6 h ILE 38 Ca 0.08 -0.88 0.08 0.00 1.00 0.00 0.00 64.86 65.14 1ng6 h ILE 38 Cb 0.74 0.99 -0.06 0.00 -0.74 0.00 0.00 36.82 37.75 1ng6 h ILE 38 CO 0.06 0.30 0.33 0.50 0.00 0.00 0.00 178.15 179.34 1ng6 h LYS 39 N 0.56 0.56 -0.05 2.37 3.64 -0.77 -0.01 116.57 122.87 1ng6 h LYS 39 Ca 0.13 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1ng6 h LYS 39 Cb 0.37 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 1ng6 h LYS 39 CO 0.01 0.37 0.00 1.28 -2.27 0.00 0.00 179.45 178.84 1ng6 n LEU 40 N -4.87 0.71 -3.76 5.20 4.77 -0.82 -4.95 117.00 113.29 1ng6 n LEU 40 Ca 0.09 -0.28 -0.30 0.00 -0.03 0.00 0.00 56.01 55.50 1ng6 n LEU 40 Cb 0.23 -0.03 0.03 0.00 -2.33 0.00 0.00 43.42 41.32 1ng6 n LEU 40 CO 0.26 0.14 -0.12 0.29 -1.33 0.00 0.00 177.39 176.63 1ng6 n LYS 41 N -0.36 -2.01 -3.88 3.23 4.76 -0.02 -5.00 118.16 114.87 1ng6 n LYS 41 Ca 0.17 0.45 -0.09 0.00 -2.87 0.00 0.00 58.31 55.97 1ng6 n LYS 41 Cb 0.20 -4.27 -0.07 0.00 -1.84 0.00 0.00 35.03 29.04 1ng6 n LYS 41 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 1ng6 s LYS 42 N -6.16 0.86 0.22 1.97 -2.85 -0.55 -5.03 119.74 108.20 1ng6 s LYS 42 Ca 0.32 -0.99 -0.08 0.00 -1.00 0.00 0.00 55.97 54.21 1ng6 s LYS 42 Cb -0.12 0.34 0.26 0.00 -2.06 0.00 0.00 37.83 36.25 1ng6 s LYS 42 CO 0.87 -0.27 1.83 -0.44 0.10 0.00 0.00 175.35 177.44 1ng6 h ASP 43 N 2.75 0.70 -3.07 0.03 5.19 -1.95 -3.40 116.42 116.67 1ng6 h ASP 43 Ca -0.34 0.02 -0.12 0.00 -0.62 0.00 0.00 57.03 55.96 1ng6 h ASP 43 Cb 1.20 -0.13 -0.02 0.00 0.18 0.00 0.00 39.33 40.56 1ng6 h ASP 43 CO 0.56 0.46 0.06 -1.54 -3.12 0.00 0.00 179.24 175.66 1ng6 n SER 44 N -4.69 -1.53 -4.79 6.45 3.41 -1.26 -5.00 113.62 106.21 1ng6 n SER 44 Ca 0.09 -2.43 -0.22 0.00 -0.26 0.00 0.00 58.87 56.05 1ng6 n SER 44 Cb 0.15 2.65 -0.05 0.00 -0.26 0.00 0.00 64.21 66.70 1ng6 n SER 44 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1ng6 s LEU 45 N 0.00 3.57 0.76 1.04 1.43 -1.26 -4.92 118.68 119.30 1ng6 s LEU 45 Ca 0.18 -0.45 -0.11 0.00 -1.03 0.00 0.00 54.13 52.72 1ng6 s LEU 45 Cb -0.03 -2.11 0.05 0.00 0.03 0.00 0.00 46.19 44.13 1ng6 s LEU 45 CO 0.13 -0.14 1.08 0.42 0.23 0.00 0.00 176.35 178.07 1ng6 s THR 46 N -2.25 3.39 0.39 5.49 -4.23 -1.26 -4.85 115.64 112.33 1ng6 s THR 46 Ca 0.35 0.45 0.17 0.00 -1.18 0.00 0.00 61.69 61.48 1ng6 s THR 46 Cb -0.06 -3.19 0.17 0.00 1.34 0.00 0.00 72.50 70.75 1ng6 s THR 46 CO 0.24 -0.59 1.93 -0.33 -0.54 0.00 0.00 174.62 175.33 1ng6 h GLU 47 N -0.97 0.00 -0.12 3.99 5.08 -1.99 -1.47 114.58 119.10 1ng6 h GLU 47 Ca -0.46 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 57.72 1ng6 h GLU 47 Cb 1.25 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.49 1ng6 h GLU 47 CO 0.58 0.26 -0.68 -0.44 -1.00 0.00 0.00 179.01 177.73 1ng6 h ASP 48 N 0.00 0.58 0.02 1.42 3.32 -2.00 -2.23 116.42 117.53 1ng6 h ASP 48 Ca -0.00 -0.36 -0.08 0.00 0.02 0.00 0.00 57.03 56.61 1ng6 h ASP 48 Cb 0.49 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 1ng6 h ASP 48 CO 0.03 1.09 -0.23 -0.33 -1.72 0.00 0.00 179.24 178.09 1ng6 h GLU 49 N 0.35 0.35 -0.52 3.56 5.08 -1.71 -2.20 114.58 119.50 1ng6 h GLU 49 Ca -0.02 -0.12 -0.10 0.00 -1.00 0.00 0.00 59.36 58.13 1ng6 h GLU 49 Cb 1.25 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.45 1ng6 h GLU 49 CO 0.12 0.57 -0.05 0.93 -1.00 0.00 0.00 179.01 179.57 1ng6 h GLU 50 N 0.32 0.95 -0.89 2.33 5.08 -1.08 -2.40 114.58 118.89 1ng6 h GLU 50 Ca 0.05 -0.33 0.02 0.00 -1.00 0.00 0.00 59.36 58.10 1ng6 h GLU 50 Cb 0.58 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.71 1ng6 h GLU 50 CO 0.04 0.99 0.59 -0.07 -1.00 0.00 0.00 179.01 179.56 1ng6 h LEU 51 N 0.82 0.99 -0.61 1.33 3.38 -0.95 -0.15 115.31 120.12 1ng6 h LEU 51 Ca 0.14 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 1ng6 h LEU 51 Cb 0.60 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 1ng6 h LEU 51 CO 0.04 0.70 0.20 0.74 0.09 0.00 0.00 178.44 180.21 1ng6 h THR 52 N 1.16 1.24 -0.23 0.22 2.02 -1.10 -0.41 112.91 115.82 1ng6 h THR 52 Ca 0.34 -0.81 -0.03 0.00 0.77 0.00 0.00 66.41 66.68 1ng6 h THR 52 Cb -0.06 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 1ng6 h THR 52 CO -0.09 0.31 0.04 0.58 0.37 0.00 0.00 175.52 176.73 1ng6 h VAL 53 N 0.86 1.22 -0.68 3.16 2.07 -0.90 -1.18 116.25 120.81 1ng6 h VAL 53 Ca 0.20 -0.73 0.01 0.00 0.82 0.00 0.00 66.70 67.00 1ng6 h VAL 53 Cb 0.27 1.27 -0.04 0.00 -1.52 0.00 0.00 31.29 31.27 1ng6 h VAL 53 CO -0.01 0.23 0.44 -0.07 0.02 0.00 0.00 177.57 178.19 1ng6 h LEU 54 N 0.19 0.76 -1.23 2.57 3.38 -0.83 -0.06 115.31 120.08 1ng6 h LEU 54 Ca 0.07 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 1ng6 h LEU 54 Cb 0.31 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1ng6 h LEU 54 CO 0.00 0.54 0.02 0.28 0.09 0.00 0.00 178.44 179.37 1ng6 h SER 55 N 0.90 0.51 -0.34 -0.43 0.02 -0.92 -1.18 113.55 112.10 1ng6 h SER 55 Ca 0.26 -0.09 -0.12 0.00 -0.84 0.00 0.00 61.79 61.00 1ng6 h SER 55 Cb -0.07 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.33 1ng6 h SER 55 CO -0.07 0.56 -0.24 -0.09 -1.14 0.00 0.00 176.83 175.85 1ng6 h ARG 56 N 0.52 0.76 -0.75 3.45 2.43 -0.40 -0.89 114.38 119.50 1ng6 h ARG 56 Ca 0.11 -0.37 -0.02 0.00 -0.81 0.00 0.00 59.98 58.90 1ng6 h ARG 56 Cb 0.31 -0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.82 1ng6 h ARG 56 CO 0.01 0.99 0.40 0.93 -1.51 0.00 0.00 179.97 180.79 1ng6 h GLU 57 N 0.53 1.05 -0.25 0.20 4.39 -0.59 -0.58 114.58 119.33 1ng6 h GLU 57 Ca 0.07 -0.12 -0.06 0.00 0.34 0.00 0.00 59.36 59.58 1ng6 h GLU 57 Cb 0.80 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 29.24 1ng6 h GLU 57 CO 0.07 0.78 -0.08 1.25 -1.16 0.00 0.00 179.01 179.87 1ng6 h LEU 58 N 1.05 0.50 -0.61 1.33 5.85 -1.03 -2.86 115.31 119.54 1ng6 h LEU 58 Ca 0.26 -0.38 -0.04 0.00 0.84 0.00 0.00 57.88 58.57 1ng6 h LEU 58 Cb 0.04 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 1ng6 h LEU 58 CO -0.04 0.76 0.24 0.50 -0.34 0.00 0.00 178.44 179.56 1ng6 h LYS 59 N 0.23 0.92 -0.84 1.25 3.64 -0.81 -0.73 116.57 120.23 1ng6 h LYS 59 Ca 0.06 -0.17 0.09 0.00 -1.27 0.00 0.00 60.65 59.36 1ng6 h LYS 59 Cb 0.55 -0.15 -0.07 0.00 -0.41 0.00 0.00 32.23 32.15 1ng6 h LYS 59 CO 0.03 0.78 0.50 1.96 -2.27 0.00 0.00 179.45 180.45 1ng6 h GLN 60 N 0.85 0.82 -0.26 1.90 4.20 -1.09 0.94 115.11 122.48 1ng6 h GLN 60 Ca 0.20 -0.05 -0.20 0.00 0.06 0.00 0.00 58.65 58.67 1ng6 h GLN 60 Cb 0.21 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.81 1ng6 h GLN 60 CO -0.02 0.55 -0.61 0.00 -0.67 0.00 0.00 178.83 178.08 1ng6 h ARG 61 N 0.85 0.87 -0.87 1.46 3.08 -1.22 -1.47 114.38 117.08 1ng6 h ARG 61 Ca 0.40 -0.59 -0.01 0.00 0.07 0.00 0.00 59.98 59.85 1ng6 h ARG 61 Cb 0.32 0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.41 1ng6 h ARG 61 CO -0.23 1.22 0.49 0.87 -1.07 0.00 0.00 179.97 181.25 1ng6 h LYS 62 N 0.65 1.20 -0.64 0.04 1.57 -0.39 -0.45 116.57 118.55 1ng6 h LYS 62 Ca -0.00 -0.13 -0.08 0.00 -1.87 0.00 0.00 60.65 58.57 1ng6 h LYS 62 Cb 1.22 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 33.27 1ng6 h LYS 62 CO 0.13 0.87 0.10 -0.44 -0.57 0.00 0.00 179.45 179.55 1ng6 h ASP 63 N 1.20 1.02 -0.65 0.86 3.32 -0.74 -2.71 116.42 118.73 1ng6 h ASP 63 Ca 0.31 -0.26 -0.07 0.00 0.02 0.00 0.00 57.03 57.03 1ng6 h ASP 63 Cb 0.00 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.26 1ng6 h ASP 63 CO -0.05 1.02 0.13 0.28 -1.72 0.00 0.00 179.24 178.90 1ng6 h SER 64 N 0.98 1.00 -0.45 6.45 0.02 -0.67 -1.92 113.55 118.97 1ng6 h SER 64 Ca 0.20 -0.25 0.02 0.00 -0.84 0.00 0.00 61.79 60.92 1ng6 h SER 64 Cb 0.44 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.68 1ng6 h SER 64 CO 0.01 0.99 0.27 0.25 -1.14 0.00 0.00 176.83 177.22 1ng6 h LEU 65 N 0.97 0.44 -0.64 5.07 6.46 -0.95 0.59 115.31 127.25 1ng6 h LEU 65 Ca 0.20 0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.93 1ng6 h LEU 65 Cb 0.40 -0.09 -0.03 0.00 -0.73 0.00 0.00 40.66 40.21 1ng6 h LEU 65 CO 0.01 0.32 0.29 -0.61 -0.62 0.00 0.00 178.44 177.82 1ng6 h GLN 66 N 0.55 0.94 -0.58 1.25 5.75 -1.31 -0.66 115.11 121.05 1ng6 h GLN 66 Ca 0.18 -0.15 -0.08 0.00 -0.15 0.00 0.00 58.65 58.45 1ng6 h GLN 66 Cb 0.00 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 28.36 1ng6 h GLN 66 CO -0.08 0.77 0.05 0.93 -2.65 0.00 0.00 178.83 177.85 1ng6 h GLU 67 N 0.89 0.96 0.00 1.69 5.08 -0.79 -0.16 114.58 122.26 1ng6 h GLU 67 Ca 0.22 -0.26 -0.11 0.00 -1.00 0.00 0.00 59.36 58.21 1ng6 h GLU 67 Cb 0.15 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1ng6 h GLU 67 CO -0.02 0.92 -0.51 0.74 -1.00 0.00 0.00 179.01 179.13 1ng6 h PHE 68 N 0.89 0.00 -0.23 4.33 0.04 -0.63 -1.03 116.94 120.31 1ng6 h PHE 68 Ca 0.17 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.89 1ng6 h PHE 68 Cb 0.46 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.60 1ng6 h PHE 68 CO 0.03 0.51 -0.05 1.03 -0.60 0.00 0.00 178.31 179.24 1ng6 h SER 69 N 0.00 0.45 -0.96 2.17 0.87 -0.59 -1.09 113.55 114.39 1ng6 h SER 69 Ca -0.01 -0.36 0.06 0.00 -1.23 0.00 0.00 61.79 60.26 1ng6 h SER 69 Cb 0.93 -0.12 -0.06 0.00 -0.44 0.00 0.00 62.40 62.71 1ng6 h SER 69 CO 0.07 0.70 0.63 0.78 -0.53 0.00 0.00 176.83 178.47 1ng6 h ASN 70 N 0.19 1.00 0.67 6.23 2.35 -0.72 -1.27 115.58 124.03 1ng6 h ASN 70 Ca 0.06 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 1ng6 h ASN 70 Cb 0.50 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.66 1ng6 h ASN 70 CO 0.02 0.65 0.00 0.00 -1.65 0.00 0.00 177.43 176.45 1ng6 n ALA 71 N -2.38 2.28 -2.40 -0.83 0.00 -0.42 -4.91 120.51 111.85 1ng6 n ALA 71 Ca 0.14 -0.11 -0.15 0.00 0.00 0.00 0.00 53.44 53.33 1ng6 n ALA 71 Cb 0.17 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.19 1ng6 n ALA 71 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1ng6 n ASN 72 N -1.38 -4.50 -4.25 0.00 4.13 -0.48 -4.95 115.26 103.83 1ng6 n ASN 72 Ca 0.10 -0.06 -0.42 0.00 1.68 0.00 0.00 54.58 55.88 1ng6 n ASN 72 Cb 0.25 -3.58 -0.02 0.00 -1.54 0.00 0.00 39.78 34.88 1ng6 n ASN 72 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1ng6 s ARG 73 N -4.87 3.86 0.51 3.52 1.81 -0.68 -4.87 118.95 118.22 1ng6 s ARG 73 Ca 0.05 -3.25 0.23 0.00 -1.72 0.00 0.00 55.73 51.04 1ng6 s ARG 73 Cb -0.02 -4.33 1.36 0.00 -0.45 0.00 0.00 34.95 31.50 1ng6 s ARG 73 CO 0.06 -1.25 2.07 -0.07 -0.68 0.00 0.00 175.30 175.44 1ng6 h LEU 74 N 6.41 0.00 -0.83 2.53 3.38 -1.93 -1.10 115.31 123.77 1ng6 h LEU 74 Ca 0.17 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.06 1ng6 h LEU 74 Cb 0.85 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 1ng6 h LEU 74 CO 0.96 0.12 -0.02 -2.24 0.09 0.00 0.00 178.44 177.35 1ng6 h ASP 75 N 0.00 0.83 0.44 -0.43 2.03 -1.96 0.21 116.42 117.54 1ng6 h ASP 75 Ca -0.00 -0.22 -0.22 0.00 -0.73 0.00 0.00 57.03 55.86 1ng6 h ASP 75 Cb 0.28 -0.22 -0.00 0.00 -0.83 0.00 0.00 39.33 38.55 1ng6 h ASP 75 CO 0.02 0.91 -0.93 -0.07 -1.03 0.00 0.00 179.24 178.13 1ng6 h LEU 76 N 0.79 0.43 -0.44 0.15 3.38 -1.71 -1.90 115.31 116.01 1ng6 h LEU 76 Ca 0.15 -0.35 0.01 0.00 0.09 0.00 0.00 57.88 57.78 1ng6 h LEU 76 Cb 0.50 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1ng6 h LEU 76 CO 0.03 1.15 0.29 0.58 0.09 0.00 0.00 178.44 180.58 1ng6 h VAL 77 N 0.18 1.10 -0.66 1.22 2.07 -0.91 -1.17 116.25 118.09 1ng6 h VAL 77 Ca -0.07 -0.20 -0.05 0.00 0.82 0.00 0.00 66.70 67.20 1ng6 h VAL 77 Cb 1.57 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.78 1ng6 h VAL 77 CO 0.15 0.11 0.23 0.44 0.02 0.00 0.00 177.57 178.52 1ng6 h ASP 78 N 0.59 0.91 -0.19 0.57 3.32 -0.87 -0.44 116.42 120.31 1ng6 h ASP 78 Ca 0.16 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 1ng6 h ASP 78 Cb -0.06 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.25 1ng6 h ASP 78 CO -0.04 0.84 0.07 0.50 -1.72 0.00 0.00 179.24 178.89 1ng6 h LYS 79 N 0.96 0.29 -0.31 3.56 3.64 -0.84 -1.93 116.57 121.94 1ng6 h LYS 79 Ca 0.22 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.45 1ng6 h LYS 79 Cb 0.24 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 1ng6 h LYS 79 CO -0.01 0.38 -0.20 0.28 -2.27 0.00 0.00 179.45 177.63 1ng6 h VAL 80 N 0.14 1.26 -0.64 2.00 2.07 -1.04 -2.39 116.25 117.64 1ng6 h VAL 80 Ca 0.06 -1.21 -0.00 0.00 0.82 0.00 0.00 66.70 66.37 1ng6 h VAL 80 Cb 0.20 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 1ng6 h VAL 80 CO -0.00 0.39 0.39 -0.61 0.02 0.00 0.00 177.57 177.75 1ng6 h GLN 81 N 0.51 0.87 -0.56 1.57 5.75 -0.90 -0.82 115.11 121.52 1ng6 h GLN 81 Ca 0.08 -0.08 -0.02 0.00 -0.15 0.00 0.00 58.65 58.48 1ng6 h GLN 81 Cb 0.63 -0.18 -0.03 0.00 1.07 0.00 0.00 27.48 28.97 1ng6 h GLN 81 CO 0.04 0.62 0.25 0.87 -2.65 0.00 0.00 178.83 177.97 1ng6 h LYS 82 N 0.87 0.80 -0.57 1.69 1.57 -1.02 -0.97 116.57 118.94 1ng6 h LYS 82 Ca 0.23 -0.11 -0.10 0.00 -1.87 0.00 0.00 60.65 58.80 1ng6 h LYS 82 Cb -0.02 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 1ng6 h LYS 82 CO -0.04 0.63 -0.04 0.93 -0.57 0.00 0.00 179.45 180.36 1ng6 h GLU 83 N 0.79 1.02 -0.47 3.15 5.08 -0.86 -2.17 114.58 121.12 1ng6 h GLU 83 Ca 0.19 -0.34 -0.04 0.00 -1.00 0.00 0.00 59.36 58.17 1ng6 h GLU 83 Cb 0.11 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1ng6 h GLU 83 CO -0.02 1.02 0.12 -0.07 -1.00 0.00 0.00 179.01 179.07 1ng6 h LEU 84 N 0.93 0.70 -1.30 1.33 3.38 -0.43 0.69 115.31 120.60 1ng6 h LEU 84 Ca 0.16 -0.22 0.04 0.00 0.09 0.00 0.00 57.88 57.95 1ng6 h LEU 84 Cb 0.59 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 1ng6 h LEU 84 CO 0.04 0.74 0.50 0.44 0.09 0.00 0.00 178.44 180.24 1ng6 h ASP 85 N 0.62 0.77 -0.01 -0.43 3.32 -1.01 -0.90 116.42 118.79 1ng6 h ASP 85 Ca 0.15 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.12 1ng6 h ASP 85 Cb 0.30 -0.18 0.01 0.00 0.22 0.00 0.00 39.33 39.68 1ng6 h ASP 85 CO -0.00 0.52 -0.27 0.40 -1.72 0.00 0.00 179.24 178.17 1ng6 h ILE 86 N 0.89 1.53 -0.66 0.35 2.04 -1.07 -3.34 117.51 117.25 1ng6 h ILE 86 Ca 0.31 -1.93 -0.03 0.00 1.00 0.00 0.00 64.86 64.21 1ng6 h ILE 86 Cb 0.10 2.72 -0.03 0.00 -0.74 0.00 0.00 36.82 38.86 1ng6 h ILE 86 CO -0.09 0.53 0.29 0.25 0.00 0.00 0.00 178.15 179.13 1ng6 h LEU 87 N -0.46 0.87 -2.43 1.44 5.85 -0.60 -2.75 115.31 117.23 1ng6 h LEU 87 Ca -0.03 -0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.61 1ng6 h LEU 87 Cb 1.01 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.82 1ng6 h LEU 87 CO 0.05 0.75 0.15 -0.33 -0.34 0.00 0.00 178.44 178.73 1ng6 h GLU 88 N 0.94 0.00 0.00 1.25 5.08 -1.28 -0.71 114.58 119.86 1ng6 h GLU 88 Ca 0.23 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.56 1ng6 h GLU 88 Cb 0.14 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 1ng6 h GLU 88 CO -0.03 0.00 -0.12 0.28 -1.00 0.00 0.00 179.01 178.15 1ng6 h VAL 89 N 0.00 0.45 -0.02 3.13 2.07 -1.64 -2.68 116.25 117.56 1ng6 h VAL 89 Ca 0.03 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 66.95 1ng6 h VAL 89 Cb 0.34 1.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 1ng6 h VAL 89 CO -0.00 0.12 -0.13 -1.22 0.02 0.00 0.00 177.57 176.36 1ng6 n TYR 90 N -3.48 0.00 -4.45 1.57 4.01 -0.27 -4.95 117.16 109.59 1ng6 n TYR 90 Ca -0.01 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.48 1ng6 n TYR 90 Cb 0.27 -0.02 -0.10 0.00 -0.31 0.00 0.00 39.34 39.19 1ng6 n TYR 90 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1ng6 s LEU 91 N -2.16 2.76 0.98 7.72 1.43 -1.01 -5.13 118.68 123.27 1ng6 s LEU 91 Ca 0.28 -1.02 -0.12 0.00 -1.03 0.00 0.00 54.13 52.24 1ng6 s LEU 91 Cb 0.20 -1.19 0.18 0.00 0.03 0.00 0.00 46.19 45.41 1ng6 s LEU 91 CO 0.39 -0.07 1.10 -2.16 0.23 0.00 0.00 176.35 175.84 1ng6 s PRO 92 N -3.59 0.58 0.24 1.29 0.04 -1.26 -4.89 135.00 127.41 1ng6 s PRO 92 Ca 0.32 0.54 -0.31 0.00 0.04 0.00 0.00 61.00 61.58 1ng6 s PRO 92 Cb -0.03 -1.75 -0.13 0.00 0.04 0.00 0.00 34.50 32.63 1ng6 s PRO 92 CO 0.17 -2.63 1.48 -1.91 0.04 0.00 0.00 177.00 174.14 1ng6 n GLU 93 N -4.11 2.22 -2.77 4.56 2.13 -1.26 -4.81 120.64 116.60 1ng6 n GLU 93 Ca 0.05 0.79 -0.38 0.00 0.66 0.00 0.00 57.16 58.28 1ng6 n GLU 93 Cb 0.57 -2.49 -0.06 0.00 0.27 0.00 0.00 31.44 29.72 1ng6 n GLU 93 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 1ng6 s GLN 94 N -0.23 4.72 -0.04 5.31 -1.52 -1.26 -4.64 119.66 122.00 1ng6 s GLN 94 Ca 0.69 1.41 -0.18 0.00 -1.95 0.00 0.00 55.36 55.33 1ng6 s GLN 94 Cb -0.61 -3.05 -0.05 0.00 -0.22 0.00 0.00 33.01 29.08 1ng6 s GLN 94 CO 0.47 0.40 0.48 -0.51 -0.25 0.00 0.00 175.29 175.89 1ng6 s LEU 95 N -1.61 4.39 0.70 2.90 1.43 0.41 -5.05 118.68 121.86 1ng6 s LEU 95 Ca 0.45 0.97 -0.11 0.00 -1.03 0.00 0.00 54.13 54.41 1ng6 s LEU 95 Cb -0.22 -2.72 0.01 0.00 0.03 0.00 0.00 46.19 43.30 1ng6 s LEU 95 CO 0.28 0.15 1.07 -0.94 0.23 0.00 0.00 176.35 177.14 1ng6 s SER 96 N -0.25 5.21 0.37 2.29 1.04 -1.26 -4.78 113.70 116.32 1ng6 s SER 96 Ca 0.26 1.69 0.07 0.00 0.48 0.00 0.00 55.95 58.45 1ng6 s SER 96 Cb -0.17 -2.51 0.78 0.00 0.10 0.00 0.00 66.02 64.23 1ng6 s SER 96 CO 0.13 -1.56 1.95 -0.08 0.98 0.00 0.00 173.24 174.67 1ng6 h GLU 97 N -0.69 0.69 -0.55 4.02 4.81 -1.99 0.51 114.58 121.39 1ng6 h GLU 97 Ca -0.44 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 58.67 1ng6 h GLU 97 Cb 1.22 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 30.42 1ng6 h GLU 97 CO 0.56 0.46 0.04 0.93 -0.73 0.00 0.00 179.01 180.26 1ng6 h GLU 98 N 0.71 0.94 -0.58 1.92 5.08 -1.99 0.66 114.58 121.32 1ng6 h GLU 98 Ca 0.32 -0.28 -0.08 0.00 -1.00 0.00 0.00 59.36 58.32 1ng6 h GLU 98 Cb 0.32 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1ng6 h GLU 98 CO -0.11 0.93 0.03 0.93 -1.00 0.00 0.00 179.01 179.80 1ng6 h GLU 99 N 0.82 0.99 -0.38 2.33 5.08 -1.55 -1.98 114.58 119.90 1ng6 h GLU 99 Ca 0.16 -0.28 -0.06 0.00 -1.00 0.00 0.00 59.36 58.18 1ng6 h GLU 99 Cb 0.48 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1ng6 h GLU 99 CO 0.02 0.95 -0.00 1.25 -1.00 0.00 0.00 179.01 180.23 1ng6 h LEU 100 N 0.91 0.66 -0.92 1.33 5.85 -0.67 -2.64 115.31 119.83 1ng6 h LEU 100 Ca 0.17 -0.31 0.05 0.00 0.84 0.00 0.00 57.88 58.63 1ng6 h LEU 100 Cb 0.49 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.28 1ng6 h LEU 100 CO 0.02 0.81 0.59 0.03 -0.34 0.00 0.00 178.44 179.56 1ng6 h ARG 101 N 0.49 1.09 -0.53 1.25 3.08 -0.63 0.99 114.38 120.13 1ng6 h ARG 101 Ca 0.11 -0.07 0.03 0.00 0.07 0.00 0.00 59.98 60.12 1ng6 h ARG 101 Cb 0.48 -0.25 -0.04 0.00 0.08 0.00 0.00 29.97 30.24 1ng6 h ARG 101 CO 0.02 0.72 0.31 1.15 -1.07 0.00 0.00 179.97 181.11 1ng6 h THR 102 N 1.13 1.05 -0.51 2.04 2.02 -1.20 -0.78 112.91 116.66 1ng6 h THR 102 Ca 0.38 -0.21 -0.11 0.00 0.77 0.00 0.00 66.41 67.24 1ng6 h THR 102 Cb 0.06 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 66.83 1ng6 h THR 102 CO -0.14 0.11 -0.12 0.40 0.37 0.00 0.00 175.52 176.15 1ng6 h ILE 103 N 0.62 1.27 -0.23 3.11 2.04 -0.95 -0.70 117.51 122.66 1ng6 h ILE 103 Ca 0.21 -1.26 0.01 0.00 1.00 0.00 0.00 64.86 64.83 1ng6 h ILE 103 Cb 0.03 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 1ng6 h ILE 103 CO -0.10 0.44 0.12 0.58 0.00 0.00 0.00 178.15 179.19 1ng6 h VAL 104 N 0.85 1.01 -0.49 1.67 2.07 -0.34 -0.39 116.25 120.62 1ng6 h VAL 104 Ca 0.13 -0.09 -0.03 0.00 0.82 0.00 0.00 66.70 67.54 1ng6 h VAL 104 Cb 0.66 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 1ng6 h VAL 104 CO 0.05 0.05 0.19 0.78 0.02 0.00 0.00 177.57 178.65 1ng6 h ASN 105 N 0.26 0.69 -0.84 0.57 2.35 -0.98 -0.99 115.58 116.63 1ng6 h ASN 105 Ca 0.09 -0.17 0.02 0.00 -0.55 0.00 0.00 56.30 55.68 1ng6 h ASN 105 Cb 0.01 -0.18 -0.04 0.00 0.05 0.00 0.00 38.32 38.16 1ng6 h ASN 105 CO -0.06 0.67 0.55 -0.08 -1.65 0.00 0.00 177.43 176.87 1ng6 h GLU 106 N 0.66 1.08 -0.14 0.81 4.22 -0.84 -0.36 114.58 120.01 1ng6 h GLU 106 Ca 0.16 -0.06 -0.12 0.00 0.08 0.00 0.00 59.36 59.42 1ng6 h GLU 106 Cb 0.21 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1ng6 h GLU 106 CO -0.01 0.71 -0.39 1.15 -2.18 0.00 0.00 179.01 178.29 1ng6 h THR 107 N 1.11 1.36 -0.74 0.32 2.02 -0.86 -1.59 112.91 114.53 1ng6 h THR 107 Ca 0.32 -1.68 0.03 0.00 0.77 0.00 0.00 66.41 65.84 1ng6 h THR 107 Cb -0.09 2.07 -0.04 0.00 -1.74 0.00 0.00 68.15 68.35 1ng6 h THR 107 CO -0.08 0.51 0.47 0.40 0.37 0.00 0.00 175.52 177.18 1ng6 h ILE 108 N 0.12 1.11 0.21 3.11 2.04 -1.01 -2.60 117.51 120.49 1ng6 h ILE 108 Ca -0.01 -0.31 -0.01 0.00 1.00 0.00 0.00 64.86 65.52 1ng6 h ILE 108 Cb 1.01 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 37.21 1ng6 h ILE 108 CO 0.08 0.17 -0.10 0.00 0.00 0.00 0.00 178.15 178.30 1ng6 h ALA 109 N 1.31 -0.28 0.00 1.87 0.00 -0.96 -2.44 119.26 118.76 1ng6 h ALA 109 Ca 0.29 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 1ng6 h ALA 109 Cb -0.00 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1ng6 h ALA 109 CO -0.10 -0.61 -0.23 1.05 0.00 0.00 0.00 179.25 179.35 1ng6 h GLU 110 N -0.37 0.00 -0.24 0.00 4.11 -1.14 -2.78 114.58 114.17 1ng6 h GLU 110 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.40 1ng6 h GLU 110 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1ng6 h GLU 110 CO 0.05 0.23 0.00 1.33 0.07 0.00 0.00 179.01 180.68 1ng6 n VAL 111 N -4.20 0.31 -1.76 -1.06 0.24 -0.99 -4.94 118.33 105.92 1ng6 n VAL 111 Ca -0.02 -0.50 -0.10 0.00 -2.04 0.00 0.00 64.34 61.69 1ng6 n VAL 111 Cb 0.29 0.63 -0.02 0.00 -1.47 0.00 0.00 33.84 33.26 1ng6 n VAL 111 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ng6 n GLY 112 N 1.27 0.50 3.86 7.63 0.00 -1.05 -5.02 105.19 112.39 1ng6 n GLY 112 Ca 0.17 -0.54 -0.31 0.00 0.00 0.00 0.00 46.02 45.34 1ng6 n GLY 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ng6 s ALA 113 N -2.42 3.15 0.00 4.61 0.00 -0.93 -4.98 121.76 121.20 1ng6 s ALA 113 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 51.96 51.91 1ng6 s ALA 113 Cb 0.00 -3.00 0.00 0.00 0.00 0.00 0.00 23.12 20.12 1ng6 s ALA 113 CO 0.00 -0.42 0.00 -1.13 0.00 0.00 0.00 175.76 174.21 1ng6 n SER 114 N -2.13 0.00 -4.74 0.00 3.41 -1.26 -4.76 113.62 104.14 1ng6 n SER 114 Ca 0.05 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.40 1ng6 n SER 114 Cb 0.54 0.03 -0.07 0.00 -0.26 0.00 0.00 64.21 64.45 1ng6 n SER 114 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1ng6 s SER 115 N -2.27 4.33 0.63 4.04 1.04 -1.26 -0.49 113.70 119.72 1ng6 s SER 115 Ca 0.00 -1.20 0.42 0.00 0.48 0.00 0.00 55.95 55.65 1ng6 s SER 115 Cb 0.00 -0.29 2.17 0.00 0.10 0.00 0.00 66.02 68.00 1ng6 s SER 115 CO 0.00 -0.61 2.27 0.11 0.98 0.00 0.00 173.24 175.98 1ng6 h LYS 116 N 1.41 0.00 0.00 4.02 1.57 -1.27 0.53 116.57 122.83 1ng6 h LYS 116 Ca -0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 1ng6 h LYS 116 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.57 1ng6 h LYS 116 CO 0.71 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 179.59 1ng6 h ALA 117 N 2.00 1.00 -0.33 3.86 0.00 -1.95 -1.22 119.26 122.62 1ng6 h ALA 117 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ng6 h ALA 117 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1ng6 h ALA 117 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.00 1ng6 n ASP 118 N -2.94 2.82 -0.15 0.00 8.00 0.18 -4.57 116.55 119.90 1ng6 n ASP 118 Ca -0.02 -1.91 -0.03 0.00 0.71 0.00 0.00 54.79 53.55 1ng6 n ASP 118 Cb 0.14 -0.21 0.04 0.00 -0.02 0.00 0.00 41.12 41.07 1ng6 n ASP 118 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 1ng6 h MET 119 N 3.62 0.06 -0.54 -1.24 1.85 -1.33 -1.90 114.93 115.46 1ng6 h MET 119 Ca 0.00 -0.00 0.10 0.00 -0.61 0.00 0.00 59.70 59.18 1ng6 h MET 119 Cb 0.80 -0.01 -0.08 0.00 0.43 0.00 0.00 31.60 32.74 1ng6 h MET 119 CO 0.00 0.04 0.09 0.78 -0.40 0.00 0.00 176.91 177.42 1ng6 h GLY 120 N 0.07 0.65 1.19 1.39 0.00 -1.82 0.11 103.07 104.67 1ng6 h GLY 120 Ca 0.23 -0.01 -0.09 0.00 0.00 0.00 0.00 47.33 47.46 1ng6 h GLY 120 CO -0.43 -0.10 -0.01 1.70 0.00 0.00 0.00 176.54 177.70 1ng6 h LYS 121 N 0.22 0.97 -0.19 4.80 3.64 -1.77 -1.89 116.57 122.35 1ng6 h LYS 121 Ca 0.28 -0.30 -0.07 0.00 -1.27 0.00 0.00 60.65 59.29 1ng6 h LYS 121 Cb 0.40 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1ng6 h LYS 121 CO -0.38 0.96 -0.14 0.28 -2.27 0.00 0.00 179.45 177.91 1ng6 h VAL 122 N 0.89 1.32 -0.56 2.00 2.07 -0.60 -2.66 116.25 118.72 1ng6 h VAL 122 Ca 0.16 -1.26 -0.03 0.00 0.82 0.00 0.00 66.70 66.40 1ng6 h VAL 122 Cb 0.54 1.74 -0.03 0.00 -1.52 0.00 0.00 31.29 32.02 1ng6 h VAL 122 CO 0.03 0.38 0.24 0.24 0.02 0.00 0.00 177.57 178.48 1ng6 h MET 123 N 0.10 0.80 -0.28 1.57 2.86 -0.75 0.06 114.93 119.28 1ng6 h MET 123 Ca 0.04 -0.11 -0.10 0.00 -2.06 0.00 0.00 59.70 57.47 1ng6 h MET 123 Cb 0.66 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.16 1ng6 h MET 123 CO 0.04 0.64 -0.25 0.78 1.06 0.00 0.00 176.91 179.18 1ng6 h GLY 124 N 0.91 0.58 1.89 8.32 0.00 -1.30 -2.28 103.07 111.19 1ng6 h GLY 124 Ca 0.19 -0.48 -0.21 0.00 0.00 0.00 0.00 47.33 46.83 1ng6 h GLY 124 CO -0.02 0.44 -1.02 0.00 0.00 0.00 0.00 176.54 175.94 1ng6 h ALA 125 N 1.26 0.43 0.09 3.60 0.00 -1.07 -3.37 119.26 120.19 1ng6 h ALA 125 Ca 0.07 -0.91 -0.29 0.00 0.00 0.00 0.00 54.91 53.78 1ng6 h ALA 125 Cb 0.69 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1ng6 h ALA 125 CO 0.05 1.21 -1.44 0.97 0.00 0.00 0.00 179.25 180.04 1ng6 h ILE 126 N 0.00 1.24 -0.95 0.00 2.10 -0.93 -3.38 117.51 115.59 1ng6 h ILE 126 Ca -0.04 -2.91 0.15 0.00 1.08 0.00 0.00 64.86 63.14 1ng6 h ILE 126 Cb 1.75 2.75 -0.09 0.00 -1.09 0.00 0.00 36.82 40.14 1ng6 h ILE 126 CO 0.12 0.81 0.56 0.24 -1.08 0.00 0.00 178.15 178.80 1ng6 h MET 127 N 0.05 0.77 0.00 2.19 2.86 -1.57 0.41 114.93 119.64 1ng6 h MET 127 Ca -0.20 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.39 1ng6 h MET 127 Cb 1.97 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 33.46 1ng6 h MET 127 CO 0.15 0.51 -0.01 -1.35 1.06 0.00 0.00 176.91 177.27 1ng6 h PRO 128 N 0.79 0.00 0.00 -0.22 0.11 -1.78 0.33 132.00 131.24 1ng6 h PRO 128 Ca 0.51 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 66.48 1ng6 h PRO 128 Cb 0.67 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.76 1ng6 h PRO 128 CO -0.33 0.01 -1.14 0.87 -0.21 0.00 0.00 178.00 177.19 1ng6 h LYS 129 N 0.00 0.00 0.00 1.05 1.57 -1.15 -3.41 116.57 114.63 1ng6 h LYS 129 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1ng6 h LYS 129 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1ng6 h LYS 129 CO 0.00 0.32 -0.03 1.33 -0.57 0.00 0.00 179.45 180.50 1ng6 n VAL 130 N -2.96 0.00 -1.63 0.50 0.24 -0.90 -4.96 118.33 108.61 1ng6 n VAL 130 Ca -0.06 -0.41 -0.48 0.00 -2.04 0.00 0.00 64.34 61.36 1ng6 n VAL 130 Cb 0.79 0.98 -0.04 0.00 -1.47 0.00 0.00 33.84 34.09 1ng6 n VAL 130 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 1ng6 n LYS 131 N -0.86 1.71 -0.16 7.34 2.85 0.07 -0.37 118.16 128.73 1ng6 n LYS 131 Ca 0.00 0.61 0.00 0.00 -1.05 0.00 0.00 58.31 57.87 1ng6 n LYS 131 Cb 0.00 -2.28 0.00 0.00 -0.65 0.00 0.00 35.03 32.10 1ng6 n LYS 131 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1ng6 n GLY 132 N 2.64 2.36 0.17 2.58 0.00 -1.26 -4.79 105.19 106.89 1ng6 n GLY 132 Ca 0.16 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.26 1ng6 n GLY 132 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ng6 n LYS 133 N -2.00 1.33 -3.49 1.61 5.02 0.50 -4.25 118.16 116.88 1ng6 n LYS 133 Ca 0.00 -0.36 -0.15 0.00 -2.02 0.00 0.00 58.31 55.78 1ng6 n LYS 133 Cb 0.00 -1.34 -0.04 0.00 -0.02 0.00 0.00 35.03 33.63 1ng6 n LYS 133 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ng6 s ALA 134 N -2.43 -1.59 0.19 7.82 0.00 -1.19 -0.44 121.76 124.12 1ng6 s ALA 134 Ca 0.10 0.81 -0.30 0.00 0.00 0.00 0.00 51.96 52.56 1ng6 s ALA 134 Cb 0.14 0.45 -0.09 0.00 0.00 0.00 0.00 23.12 23.62 1ng6 s ALA 134 CO 0.62 -0.56 1.39 0.34 0.00 0.00 0.00 175.76 177.54 1ng6 s ASP 135 N -2.01 6.78 0.31 0.00 2.15 -1.26 -4.88 116.67 117.76 1ng6 s ASP 135 Ca -0.05 2.48 0.08 0.00 0.43 0.00 0.00 52.55 55.49 1ng6 s ASP 135 Cb -0.01 -2.61 0.85 0.00 -0.30 0.00 0.00 42.92 40.86 1ng6 s ASP 135 CO -0.02 -0.63 1.73 1.23 -0.17 0.00 0.00 175.17 177.31 1ng6 h GLY 136 N 5.77 1.86 0.82 2.66 0.00 -1.93 -1.34 103.07 110.90 1ng6 h GLY 136 Ca -0.44 -0.31 0.02 0.00 0.00 0.00 0.00 47.33 46.60 1ng6 h GLY 136 CO 0.81 -0.22 0.08 1.76 0.00 0.00 0.00 176.54 178.97 1ng6 h SER 137 N 0.59 0.09 -0.65 0.19 0.02 -2.00 -1.95 113.55 109.85 1ng6 h SER 137 Ca 0.63 0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 61.56 1ng6 h SER 137 Cb 1.16 0.01 -0.03 0.00 0.14 0.00 0.00 62.40 63.68 1ng6 h SER 137 CO -0.47 0.08 0.26 0.25 -1.14 0.00 0.00 176.83 175.81 1ng6 h LEU 138 N 0.18 0.90 0.43 5.07 5.85 -1.65 -0.65 115.31 125.44 1ng6 h LEU 138 Ca 0.10 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 1ng6 h LEU 138 Cb 0.06 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 1ng6 h LEU 138 CO -0.10 0.83 -0.35 0.40 -0.34 0.00 0.00 178.44 178.88 1ng6 h ILE 139 N 0.92 0.29 -0.98 4.05 2.04 -1.16 0.14 117.51 122.82 1ng6 h ILE 139 Ca 0.22 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.14 1ng6 h ILE 139 Cb 0.21 0.29 -0.07 0.00 -0.74 0.00 0.00 36.82 36.51 1ng6 h ILE 139 CO -0.02 0.00 0.63 0.78 0.00 0.00 0.00 178.15 179.55 1ng6 h ASN 140 N -0.77 1.00 -0.14 1.72 2.35 -1.29 -1.49 115.58 116.96 1ng6 h ASN 140 Ca -0.04 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.72 1ng6 h ASN 140 Cb 0.67 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.83 1ng6 h ASN 140 CO -0.01 0.64 0.07 0.50 -1.65 0.00 0.00 177.43 176.97 1ng6 h LYS 141 N 1.13 0.20 -0.21 0.81 3.64 -0.55 -1.25 116.57 120.34 1ng6 h LYS 141 Ca 0.42 -0.03 -0.14 0.00 -1.27 0.00 0.00 60.65 59.63 1ng6 h LYS 141 Cb 0.19 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 1ng6 h LYS 141 CO -0.17 0.23 -0.46 -0.07 -2.27 0.00 0.00 179.45 176.71 1ng6 h LEU 142 N 0.11 0.58 0.04 5.20 3.38 -0.42 -1.82 115.31 122.38 1ng6 h LEU 142 Ca 0.05 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.74 1ng6 h LEU 142 Cb 0.10 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1ng6 h LEU 142 CO -0.01 0.96 -0.02 0.58 0.09 0.00 0.00 178.44 180.04 1ng6 h VAL 143 N 0.43 1.18 -0.49 1.22 2.07 -1.23 -2.23 116.25 117.20 1ng6 h VAL 143 Ca 0.03 -0.72 0.07 0.00 0.82 0.00 0.00 66.70 66.89 1ng6 h VAL 143 Cb 0.98 1.66 -0.06 0.00 -1.52 0.00 0.00 31.29 32.35 1ng6 h VAL 143 CO 0.09 0.18 0.18 -1.28 0.02 0.00 0.00 177.57 176.76 1ng6 h SER 144 N -0.37 0.19 -0.26 0.57 0.87 -1.20 -2.23 113.55 111.13 1ng6 h SER 144 Ca -0.01 0.06 -0.04 0.00 -1.23 0.00 0.00 61.79 60.58 1ng6 h SER 144 Cb 0.34 0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.32 1ng6 h SER 144 CO 0.01 0.13 0.06 0.28 -0.53 0.00 0.00 176.83 176.78 1ng6 h SER 145 N 0.36 0.46 1.35 6.23 0.02 -1.29 -2.33 113.55 118.35 1ng6 h SER 145 Ca 0.24 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1ng6 h SER 145 Cb 0.25 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.67 1ng6 h SER 145 CO -0.24 0.49 -0.07 1.67 -1.14 0.00 0.00 176.83 177.54 1ng6 n GLN 146 N -4.33 0.23 -3.48 3.45 -0.06 -0.84 -4.79 117.38 107.55 1ng6 n GLN 146 Ca 0.02 0.18 -0.35 0.00 -2.00 0.00 0.00 57.00 54.85 1ng6 n GLN 146 Cb 0.20 -1.76 -0.06 0.00 -4.06 0.00 0.00 30.24 24.57 1ng6 n GLN 146 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 1ng6 s LEU 147 N -4.32 4.34 0.00 1.69 1.43 -0.88 -4.98 118.68 115.97 1ng6 s LEU 147 Ca 0.11 0.91 0.30 0.00 -1.03 0.00 0.00 54.13 54.42 1ng6 s LEU 147 Cb 0.13 -3.11 1.82 0.00 0.03 0.00 0.00 46.19 45.06 1ng6 s LEU 147 CO 0.60 0.14 2.15 -1.54 0.23 0.00 0.00 176.35 177.93