#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rd9 s PRO 2 N 0.00 3.82 0.19 -2.82 0.04 -1.26 -4.91 135.00 130.06 1rd9 s PRO 2 Ca 0.00 1.95 0.23 0.00 0.04 0.00 0.00 61.00 63.22 1rd9 s PRO 2 Cb 0.00 -2.56 0.18 0.00 0.04 0.00 0.00 34.50 32.16 1rd9 s PRO 2 CO 0.00 -0.55 1.21 1.96 0.04 0.00 0.00 177.00 179.67 1rd9 h GLN 3 N 2.31 0.00 -3.01 4.56 1.08 -2.02 -3.48 115.11 114.55 1rd9 h GLN 3 Ca -0.49 0.00 0.06 0.00 -1.45 0.00 0.00 58.65 56.77 1rd9 h GLN 3 Cb 1.25 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.63 1rd9 h GLN 3 CO 0.61 0.00 0.23 0.54 -0.95 0.00 0.00 178.83 179.26 1rd9 s ASN 4 N -4.96 -0.24 0.32 1.46 2.20 -1.26 -5.06 114.94 107.41 1rd9 s ASN 4 Ca 0.03 -0.65 0.08 0.00 -0.94 0.00 0.00 52.86 51.38 1rd9 s ASN 4 Cb 0.11 0.74 0.56 0.00 -2.00 0.00 0.00 41.25 40.65 1rd9 s ASN 4 CO 0.75 -1.37 1.76 -0.29 -2.94 0.00 0.00 177.10 175.00 1rd9 h ILE 5 N 2.00 1.29 -0.23 0.54 2.10 -1.96 -1.85 117.51 119.39 1rd9 h ILE 5 Ca -0.20 -1.39 -0.03 0.00 1.08 0.00 0.00 64.86 64.32 1rd9 h ILE 5 Cb 1.25 1.64 -0.01 0.00 -1.09 0.00 0.00 36.82 38.61 1rd9 h ILE 5 CO 0.24 0.41 0.02 0.74 -1.08 0.00 0.00 178.15 178.49 1rd9 h THR 6 N 0.15 1.24 -0.69 2.19 2.02 -1.99 -0.48 112.91 115.35 1rd9 h THR 6 Ca 0.02 -0.82 -0.05 0.00 0.77 0.00 0.00 66.41 66.32 1rd9 h THR 6 Cb 0.73 1.33 -0.03 0.00 -1.74 0.00 0.00 68.15 68.44 1rd9 h THR 6 CO 0.05 0.26 0.23 0.44 0.37 0.00 0.00 175.52 176.87 1rd9 h ASP 7 N 0.18 0.99 -0.00 4.18 3.32 -1.95 -2.54 116.42 120.60 1rd9 h ASP 7 Ca 0.07 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 56.95 1rd9 h ASP 7 Cb 0.36 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.66 1rd9 h ASP 7 CO 0.01 0.91 0.00 0.25 -1.72 0.00 0.00 179.24 178.69 1rd9 h LEU 8 N 1.02 0.00 -1.34 1.55 6.46 -1.21 -2.91 115.31 118.88 1rd9 h LEU 8 Ca 0.23 -0.02 0.07 0.00 -0.12 0.00 0.00 57.88 58.03 1rd9 h LEU 8 Cb 0.27 -0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 40.15 1rd9 h LEU 8 CO -0.01 0.02 0.50 0.00 -0.62 0.00 0.00 178.44 178.33 1rd9 n ALA 10 N -2.44 1.96 1.03 0.00 0.00 -0.97 -2.10 120.51 117.98 1rd9 n ALA 10 Ca 0.11 -0.08 0.14 0.00 0.00 0.00 0.00 53.44 53.61 1rd9 n ALA 10 Cb 0.24 -1.30 0.59 0.00 0.00 0.00 0.00 19.45 18.99 1rd9 n ALA 10 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1rd9 n GLU 11 N -1.33 0.03 -4.69 0.00 1.02 -0.61 -4.88 120.64 110.18 1rd9 n GLU 11 Ca 0.08 -0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.92 1rd9 n GLU 11 Cb 0.16 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 29.94 1rd9 n GLU 11 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1rd9 s TYR 12 N -2.97 2.31 0.62 -0.32 1.51 -0.89 -5.13 117.35 112.48 1rd9 s TYR 12 Ca 0.15 -0.40 -0.13 0.00 -1.01 0.00 0.00 57.07 55.68 1rd9 s TYR 12 Cb 0.19 -1.33 -0.03 0.00 -0.11 0.00 0.00 41.96 40.68 1rd9 s TYR 12 CO 0.54 0.21 1.04 -1.01 -1.11 0.00 0.00 175.55 175.22 1rd9 s HIS 13 N -0.91 3.28 -1.63 2.71 3.76 -1.26 -4.16 115.29 117.08 1rd9 s HIS 13 Ca 0.13 1.42 -0.03 0.00 -0.15 0.00 0.00 55.06 56.42 1rd9 s HIS 13 Cb -0.10 -2.85 0.00 0.00 1.11 0.00 0.00 32.58 30.74 1rd9 s HIS 13 CO 0.04 -0.90 0.45 0.09 -0.85 0.00 0.00 174.74 173.56 1rd9 n ASN 14 N -2.49 -6.12 -4.48 1.40 5.03 -1.26 -4.95 115.26 102.38 1rd9 n ASN 14 Ca 0.07 -0.22 -0.24 0.00 0.87 0.00 0.00 54.58 55.06 1rd9 n ASN 14 Cb 0.54 -4.98 -0.10 0.00 -1.02 0.00 0.00 39.78 34.21 1rd9 n ASN 14 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1rd9 s THR 15 N -3.15 2.42 0.07 3.41 -4.23 -1.26 -0.69 115.64 112.21 1rd9 s THR 15 Ca 0.23 -2.37 -0.17 0.00 -1.18 0.00 0.00 61.69 58.20 1rd9 s THR 15 Cb -0.10 -2.36 0.03 0.00 1.34 0.00 0.00 72.50 71.42 1rd9 s THR 15 CO 0.28 -0.37 0.39 0.00 -0.54 0.00 0.00 174.62 174.38 1rd9 s GLN 16 N -3.53 0.95 -0.15 3.99 -2.07 -0.58 -4.89 119.66 113.37 1rd9 s GLN 16 Ca 0.30 -0.50 -0.15 0.00 -1.82 0.00 0.00 55.36 53.19 1rd9 s GLN 16 Cb -0.04 0.42 -0.05 0.00 -1.09 0.00 0.00 33.01 32.26 1rd9 s GLN 16 CO 0.15 -0.34 0.33 0.42 -1.32 0.00 0.00 175.29 174.53 1rd9 s ILE 17 N -2.93 5.28 -0.20 3.63 -1.09 -1.26 -1.25 121.20 123.38 1rd9 s ILE 17 Ca -0.02 0.62 -0.06 0.00 -2.23 0.00 0.00 60.65 58.96 1rd9 s ILE 17 Cb 0.00 -3.67 -0.03 0.00 -1.58 0.00 0.00 42.46 37.18 1rd9 s ILE 17 CO -0.06 0.37 0.04 -1.00 -1.23 0.00 0.00 174.94 173.06 1rd9 s HIS 18 N 0.51 3.13 -0.39 3.97 3.76 -0.11 -4.99 115.29 121.17 1rd9 s HIS 18 Ca 0.18 -0.20 -0.12 0.00 -0.15 0.00 0.00 55.06 54.77 1rd9 s HIS 18 Cb -0.13 -2.10 0.03 0.00 1.11 0.00 0.00 32.58 31.49 1rd9 s HIS 18 CO 0.05 -0.07 0.24 0.99 -0.85 0.00 0.00 174.74 175.10 1rd9 s THR 19 N 0.79 4.75 -0.24 1.30 2.01 -1.26 -1.22 115.64 121.77 1rd9 s THR 19 Ca 0.02 -0.87 -0.03 0.00 0.31 0.00 0.00 61.69 61.12 1rd9 s THR 19 Cb -0.14 -3.69 -0.17 0.00 0.01 0.00 0.00 72.50 68.51 1rd9 s THR 19 CO 0.02 -0.30 -0.16 0.18 -0.69 0.00 0.00 174.62 173.68 1rd9 n LEU 20 N 5.04 2.73 -4.11 4.42 4.77 0.34 -5.01 117.00 125.19 1rd9 n LEU 20 Ca -0.11 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.50 1rd9 n LEU 20 Cb 0.46 -0.93 -0.03 0.00 -2.33 0.00 0.00 43.42 40.59 1rd9 n LEU 20 CO 0.38 0.85 -0.28 0.59 -1.33 0.00 0.00 177.39 177.61 1rd9 n ASN 21 N -3.49 -1.73 -3.48 -1.43 3.02 -0.40 -4.94 115.26 102.81 1rd9 n ASN 21 Ca -0.45 -1.19 -0.15 0.00 -0.03 0.00 0.00 54.58 52.76 1rd9 n ASN 21 Cb 0.97 -1.44 -0.04 0.00 -0.61 0.00 0.00 39.78 38.66 1rd9 n ASN 21 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1rd9 s ASP 22 N -3.92 -0.60 0.75 6.41 2.15 -0.72 -4.89 116.67 115.84 1rd9 s ASP 22 Ca 0.26 0.40 -0.12 0.00 0.43 0.00 0.00 52.55 53.52 1rd9 s ASP 22 Cb -0.14 0.55 0.05 0.00 -0.30 0.00 0.00 42.92 43.07 1rd9 s ASP 22 CO 0.90 -0.74 1.10 -1.59 -0.17 0.00 0.00 175.17 174.67 1rd9 s LYS 23 N -2.26 2.35 0.10 4.34 -2.85 -1.26 -0.95 119.74 119.21 1rd9 s LYS 23 Ca -0.05 1.23 -0.31 0.00 -1.00 0.00 0.00 55.97 55.84 1rd9 s LYS 23 Cb -0.00 -1.90 -0.08 0.00 -2.06 0.00 0.00 37.83 33.78 1rd9 s LYS 23 CO -0.00 -1.58 1.47 0.42 0.10 0.00 0.00 175.35 175.76 1rd9 s ILE 24 N -2.76 3.17 0.06 3.79 1.01 -1.26 -4.67 121.20 120.54 1rd9 s ILE 24 Ca 0.63 0.79 -0.14 0.00 0.00 0.00 0.00 60.65 61.92 1rd9 s ILE 24 Cb -0.18 -3.50 -0.28 0.00 0.01 0.00 0.00 42.46 38.50 1rd9 s ILE 24 CO 0.53 0.04 1.12 0.15 0.00 0.00 0.00 174.94 176.78 1rd9 h PHE 25 N 7.16 1.00 -3.40 3.97 3.57 -1.23 -3.48 116.94 124.53 1rd9 h PHE 25 Ca -0.42 -0.62 -0.15 0.00 3.53 0.00 0.00 57.97 60.32 1rd9 h PHE 25 Cb 1.20 -0.08 -0.22 0.00 2.79 0.00 0.00 35.95 39.64 1rd9 h PHE 25 CO 0.69 1.46 -0.46 -1.54 -2.23 0.00 0.00 178.31 176.22 1rd9 s SER 26 N -7.40 -0.05 -0.09 0.41 1.04 -1.03 -4.97 113.70 101.61 1rd9 s SER 26 Ca -0.09 -0.05 0.01 0.00 0.48 0.00 0.00 55.95 56.29 1rd9 s SER 26 Cb 0.06 0.26 0.02 0.00 0.10 0.00 0.00 66.02 66.46 1rd9 s SER 26 CO 0.93 -0.32 -0.09 -0.47 0.98 0.00 0.00 173.24 174.26 1rd9 s TYR 27 N -1.09 1.46 -0.02 5.02 5.04 -1.26 -1.75 117.35 124.74 1rd9 s TYR 27 Ca -0.12 -0.65 0.06 0.00 -2.44 0.00 0.00 57.07 53.92 1rd9 s TYR 27 Cb -0.06 -1.16 -0.02 0.00 0.35 0.00 0.00 41.96 41.08 1rd9 s TYR 27 CO 0.02 -0.42 -0.21 0.99 -1.34 0.00 0.00 175.55 174.59 1rd9 s THR 28 N 1.30 1.67 -0.00 4.34 2.01 0.10 -5.01 115.64 120.04 1rd9 s THR 28 Ca -0.03 -0.90 -0.05 0.00 0.31 0.00 0.00 61.69 61.03 1rd9 s THR 28 Cb -0.14 -1.39 -0.00 0.00 0.01 0.00 0.00 72.50 70.98 1rd9 s THR 28 CO -0.04 0.47 0.09 -1.83 -0.69 0.00 0.00 174.62 172.63 1rd9 s GLU 29 N -0.46 0.38 -0.00 4.92 -1.05 -1.26 -0.63 118.70 120.59 1rd9 s GLU 29 Ca 0.07 -0.35 0.04 0.00 -0.15 0.00 0.00 54.97 54.59 1rd9 s GLU 29 Cb -0.08 0.15 -0.01 0.00 -0.44 0.00 0.00 34.13 33.75 1rd9 s GLU 29 CO -0.01 -0.08 -0.13 0.45 0.95 0.00 0.00 175.26 176.45 1rd9 s SER 30 N -1.13 1.50 0.00 0.83 0.15 -0.75 -5.02 113.70 109.28 1rd9 s SER 30 Ca -0.12 -0.25 0.13 0.00 0.70 0.00 0.00 55.95 56.40 1rd9 s SER 30 Cb -0.07 -0.16 0.31 0.00 -1.71 0.00 0.00 66.02 64.39 1rd9 s SER 30 CO 0.01 0.14 1.23 0.00 1.20 0.00 0.00 173.24 175.82 1rd9 n LEU 31 N 2.68 2.90 -4.77 3.45 -0.00 -1.26 -2.92 117.00 117.08 1rd9 n LEU 31 Ca -0.14 -1.82 -0.37 0.00 -0.00 0.00 0.00 56.01 53.67 1rd9 n LEU 31 Cb 0.56 -0.22 0.00 0.00 -0.00 0.00 0.00 43.42 43.76 1rd9 n LEU 31 CO 0.24 0.70 0.87 0.00 -0.00 0.00 0.00 177.39 179.21 1rd9 s ALA 32 N -1.01 2.95 0.20 1.47 0.00 -1.26 -4.83 121.76 119.27 1rd9 s ALA 32 Ca 0.25 1.05 -0.31 0.00 0.00 0.00 0.00 51.96 52.94 1rd9 s ALA 32 Cb 0.13 -3.43 -0.10 0.00 0.00 0.00 0.00 23.12 19.72 1rd9 s ALA 32 CO 0.18 -0.84 1.55 0.20 0.00 0.00 0.00 175.76 176.86 1rd9 s GLY 33 N -1.23 1.74 0.00 0.00 0.00 -1.26 -1.10 107.32 105.47 1rd9 s GLY 33 Ca 0.65 1.39 0.00 0.00 0.00 0.00 0.00 44.72 46.76 1rd9 s GLY 33 CO 0.39 2.57 0.00 0.28 0.00 0.00 0.00 173.10 176.34 1rd9 n LYS 34 N 3.49 -0.58 -2.58 2.90 4.76 -1.26 -4.82 118.16 120.07 1rd9 n LYS 34 Ca 0.12 0.15 -0.08 0.00 -2.87 0.00 0.00 58.31 55.62 1rd9 n LYS 34 Cb 0.38 -3.83 0.04 0.00 -1.84 0.00 0.00 35.03 29.78 1rd9 n LYS 34 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1rd9 n ARG 35 N -1.39 2.29 -2.67 1.97 5.12 -0.26 -4.96 116.66 116.76 1rd9 n ARG 35 Ca 0.00 -3.71 -0.42 0.00 -1.93 0.00 0.00 57.85 51.79 1rd9 n ARG 35 Cb 0.15 -1.80 -0.03 0.00 -1.16 0.00 0.00 32.46 29.62 1rd9 n ARG 35 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1rd9 s GLU 36 N -3.70 3.58 0.24 5.56 8.01 -1.14 -4.32 118.70 126.92 1rd9 s GLU 36 Ca 0.35 -1.29 -0.15 0.00 0.01 0.00 0.00 54.97 53.89 1rd9 s GLU 36 Cb 0.36 -5.19 0.01 0.00 -4.31 0.00 0.00 34.13 25.00 1rd9 s GLU 36 CO -0.02 -2.07 0.52 0.00 0.01 0.00 0.00 175.26 173.70 1rd9 s MET 37 N 4.31 1.52 0.09 1.61 0.23 -1.15 -4.16 119.30 121.76 1rd9 s MET 37 Ca 0.42 -1.11 0.08 0.00 -1.03 0.00 0.00 55.69 54.05 1rd9 s MET 37 Cb -0.02 0.50 -0.03 0.00 -1.53 0.00 0.00 34.83 33.75 1rd9 s MET 37 CO -0.09 -0.65 -0.21 0.00 -2.03 0.00 0.00 175.02 172.04 1rd9 s ALA 38 N -3.96 1.80 -0.05 3.16 0.00 -1.20 -1.81 121.76 119.70 1rd9 s ALA 38 Ca 0.17 -1.21 0.02 0.00 0.00 0.00 0.00 51.96 50.94 1rd9 s ALA 38 Cb -0.01 -0.27 0.01 0.00 0.00 0.00 0.00 23.12 22.85 1rd9 s ALA 38 CO 0.05 0.37 -0.10 0.42 0.00 0.00 0.00 175.76 176.51 1rd9 s ILE 39 N -1.09 0.92 0.14 0.00 1.01 0.20 -1.18 121.20 121.20 1rd9 s ILE 39 Ca 0.07 -0.37 0.10 0.00 0.00 0.00 0.00 60.65 60.45 1rd9 s ILE 39 Cb -0.10 -0.85 -0.04 0.00 0.01 0.00 0.00 42.46 41.49 1rd9 s ILE 39 CO 0.04 0.30 -0.24 0.27 0.00 0.00 0.00 174.94 175.30 1rd9 s ILE 40 N 0.58 2.14 0.18 2.92 -4.36 -0.22 -0.72 121.20 121.72 1rd9 s ILE 40 Ca -0.11 -1.80 0.06 0.00 -0.26 0.00 0.00 60.65 58.54 1rd9 s ILE 40 Cb -0.14 -1.93 -0.05 0.00 1.25 0.00 0.00 42.46 41.60 1rd9 s ILE 40 CO 0.02 -0.03 -0.10 0.42 0.24 0.00 0.00 174.94 175.49 1rd9 s THR 41 N -1.32 1.37 0.35 8.37 -4.23 -0.72 -1.33 115.64 118.14 1rd9 s THR 41 Ca 0.14 -2.11 0.08 0.00 -1.18 0.00 0.00 61.69 58.62 1rd9 s THR 41 Cb -0.09 -2.01 -0.05 0.00 1.34 0.00 0.00 72.50 71.69 1rd9 s THR 41 CO 0.07 -0.62 0.12 -0.36 -0.54 0.00 0.00 174.62 173.29 1rd9 s PHE 42 N -3.21 2.65 0.50 3.99 0.08 -0.51 -0.70 117.98 120.79 1rd9 s PHE 42 Ca 0.21 -0.43 0.17 0.00 0.12 0.00 0.00 56.93 56.99 1rd9 s PHE 42 Cb 0.02 -1.66 1.23 0.00 -0.57 0.00 0.00 43.02 42.04 1rd9 s PHE 42 CO 0.04 0.34 2.10 -0.22 -0.10 0.00 0.00 175.22 177.38 1rd9 h LYS 43 N 1.58 0.08 0.00 0.44 3.64 -1.90 0.10 116.57 120.52 1rd9 h LYS 43 Ca -0.43 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 1rd9 h LYS 43 Cb 1.25 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 1rd9 h LYS 43 CO 0.65 0.06 0.00 0.27 -2.27 0.00 0.00 179.45 178.16 1rd9 n ASN 44 N -4.50 0.00 0.00 4.20 6.94 -1.26 -4.88 115.26 115.76 1rd9 n ASN 44 Ca 0.01 -0.71 0.00 0.00 -0.02 0.00 0.00 54.58 53.85 1rd9 n ASN 44 Cb 0.20 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.62 1rd9 n ASN 44 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1rd9 n GLY 45 N 0.31 1.99 3.73 4.83 0.00 0.35 -5.03 105.19 111.38 1rd9 n GLY 45 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1rd9 n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rd9 n ALA 46 N -1.48 2.41 -2.54 4.61 0.00 -1.26 -4.72 120.51 117.54 1rd9 n ALA 46 Ca 0.00 0.38 -0.23 0.00 0.00 0.00 0.00 53.44 53.59 1rd9 n ALA 46 Cb 0.00 -2.45 -0.15 0.00 0.00 0.00 0.00 19.45 16.85 1rd9 n ALA 46 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1rd9 s THR 47 N 0.11 1.23 0.00 0.00 2.01 -1.26 -1.43 115.64 116.31 1rd9 s THR 47 Ca 0.66 -0.68 -0.04 0.00 0.31 0.00 0.00 61.69 61.93 1rd9 s THR 47 Cb -0.52 -1.03 -0.00 0.00 0.01 0.00 0.00 72.50 70.96 1rd9 s THR 47 CO 0.47 0.34 0.08 -0.36 -0.69 0.00 0.00 174.62 174.46 1rd9 s PHE 48 N -0.38 0.08 0.16 4.92 0.08 -0.44 -3.95 117.98 118.45 1rd9 s PHE 48 Ca 0.06 -0.18 0.11 0.00 0.12 0.00 0.00 56.93 57.04 1rd9 s PHE 48 Cb -0.06 -0.08 -0.04 0.00 -0.57 0.00 0.00 43.02 42.27 1rd9 s PHE 48 CO -0.01 -0.22 -0.25 1.14 -0.10 0.00 0.00 175.22 175.79 1rd9 s GLN 49 N -1.16 1.50 -0.34 0.44 -2.07 -0.28 -1.05 119.66 116.70 1rd9 s GLN 49 Ca -0.13 -1.42 -0.15 0.00 -1.82 0.00 0.00 55.36 51.84 1rd9 s GLN 49 Cb -0.07 -1.89 -0.01 0.00 -1.09 0.00 0.00 33.01 29.94 1rd9 s GLN 49 CO 0.01 0.43 0.38 0.08 -1.32 0.00 0.00 175.29 174.86 1rd9 s VAL 50 N -1.38 5.15 0.63 3.63 1.01 -0.32 -0.58 120.40 128.54 1rd9 s VAL 50 Ca 0.18 0.11 -0.19 0.00 0.00 0.00 0.00 61.98 62.08 1rd9 s VAL 50 Cb -0.09 -3.83 -0.02 0.00 0.00 0.00 0.00 36.38 32.44 1rd9 s VAL 50 CO 0.08 -0.09 1.29 -1.61 0.00 0.00 0.00 175.10 174.78 1rd9 s GLU 51 N 2.06 2.69 0.25 2.72 2.02 -1.26 -3.23 118.70 123.94 1rd9 s GLU 51 Ca 0.13 2.05 -0.31 0.00 0.02 0.00 0.00 54.97 56.85 1rd9 s GLU 51 Cb -0.16 -1.91 -0.13 0.00 0.10 0.00 0.00 34.13 32.03 1rd9 s GLU 51 CO 0.12 -1.49 1.51 0.28 0.02 0.00 0.00 175.26 175.70 1rd9 n VAL 52 N -1.75 0.82 -1.71 2.63 0.31 -1.26 -4.89 118.33 112.48 1rd9 n VAL 52 Ca 0.15 -0.21 -0.43 0.00 -0.01 0.00 0.00 64.34 63.84 1rd9 n VAL 52 Cb 0.48 -1.68 -0.03 0.00 -0.91 0.00 0.00 33.84 31.70 1rd9 n VAL 52 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1rd9 n PRO 53 N 2.33 2.46 -2.61 5.55 -0.02 -1.26 -4.96 135.00 136.49 1rd9 n PRO 53 Ca 0.11 0.88 -0.06 0.00 -2.02 0.00 0.00 63.50 62.41 1rd9 n PRO 53 Cb 0.33 -2.64 -0.01 0.00 -0.02 0.00 0.00 33.50 31.16 1rd9 n PRO 53 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rd9 n GLY 54 N 2.72 2.35 0.07 -1.23 0.00 -1.26 -5.03 105.19 102.82 1rd9 n GLY 54 Ca 0.12 -1.40 0.09 0.00 0.00 0.00 0.00 46.02 44.84 1rd9 n GLY 54 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1rd9 n SER 55 N -1.72 0.35 0.10 1.61 3.41 -1.26 -1.24 113.62 114.87 1rd9 n SER 55 Ca -0.01 0.59 0.12 0.00 -0.26 0.00 0.00 58.87 59.32 1rd9 n SER 55 Cb 0.28 -0.67 0.45 0.00 -0.26 0.00 0.00 64.21 64.02 1rd9 n SER 55 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rd9 n GLN 56 N -1.90 0.18 -3.79 4.33 0.00 -1.26 -4.82 117.38 110.12 1rd9 n GLN 56 Ca 0.02 0.29 -0.34 0.00 0.00 0.00 0.00 57.00 56.98 1rd9 n GLN 56 Cb 0.19 -1.77 -0.05 0.00 0.00 0.00 0.00 30.24 28.60 1rd9 n GLN 56 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 1rd9 s HIS 57 N -3.18 3.56 0.35 2.61 3.76 -0.37 -5.10 115.29 116.91 1rd9 s HIS 57 Ca 0.08 0.50 0.02 0.00 -0.15 0.00 0.00 55.06 55.50 1rd9 s HIS 57 Cb 0.11 -1.94 -0.03 0.00 1.11 0.00 0.00 32.58 31.84 1rd9 s HIS 57 CO 0.47 0.60 0.53 0.96 -0.85 0.00 0.00 174.74 176.45 1rd9 s ILE 58 N -1.36 4.89 0.26 0.60 -4.36 -1.26 -4.91 121.20 115.06 1rd9 s ILE 58 Ca 0.30 -0.58 -0.01 0.00 -0.26 0.00 0.00 60.65 60.09 1rd9 s ILE 58 Cb -0.13 -3.77 0.24 0.00 1.25 0.00 0.00 42.46 40.05 1rd9 s ILE 58 CO 0.19 -0.47 1.76 -0.78 0.24 0.00 0.00 174.94 175.88 1rd9 h ASP 59 N 0.77 0.52 0.52 4.36 3.58 -1.99 -0.34 116.42 123.83 1rd9 h ASP 59 Ca -0.49 0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.05 1rd9 h ASP 59 Cb 1.23 0.01 0.00 0.00 1.72 0.00 0.00 39.33 42.29 1rd9 h ASP 59 CO 0.60 0.22 0.00 0.77 -2.88 0.00 0.00 179.24 177.95 1rd9 h SER 60 N 0.62 0.00 1.84 2.28 4.64 -2.05 -1.76 113.55 119.12 1rd9 h SER 60 Ca 0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.78 1rd9 h SER 60 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 1rd9 h SER 60 CO -0.36 0.00 0.00 1.56 -0.87 0.00 0.00 176.83 177.16 1rd9 h GLN 61 N 0.00 0.00 -0.04 4.77 4.20 -1.45 -3.38 115.11 119.21 1rd9 h GLN 61 Ca 0.00 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.73 1rd9 h GLN 61 Cb 0.26 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.01 1rd9 h GLN 61 CO 0.00 0.00 -0.09 0.87 -0.67 0.00 0.00 178.83 178.94 1rd9 h LYS 62 N 0.00 -0.13 -0.15 1.46 1.79 -1.36 0.54 116.57 118.72 1rd9 h LYS 62 Ca 0.00 0.01 -0.09 0.00 -2.18 0.00 0.00 60.65 58.39 1rd9 h LYS 62 Cb 0.92 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.59 1rd9 h LYS 62 CO 0.00 -0.08 -0.29 0.87 -1.08 0.00 0.00 179.45 178.87 1rd9 h LYS 63 N -0.13 0.29 -0.17 3.15 1.57 -1.77 -2.67 116.57 116.84 1rd9 h LYS 63 Ca 0.05 -0.11 -0.12 0.00 -1.87 0.00 0.00 60.65 58.59 1rd9 h LYS 63 Cb 0.20 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 1rd9 h LYS 63 CO -0.12 0.56 -0.43 0.00 -0.57 0.00 0.00 179.45 178.89 1rd9 h ALA 64 N 1.44 0.94 -0.27 3.86 0.00 -1.54 -0.37 119.26 123.34 1rd9 h ALA 64 Ca 0.04 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 1rd9 h ALA 64 Cb 0.65 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1rd9 h ALA 64 CO 0.05 0.63 0.12 0.82 0.00 0.00 0.00 179.25 180.87 1rd9 h ILE 65 N 0.33 1.15 -0.72 0.00 2.04 -0.65 -0.11 117.51 119.56 1rd9 h ILE 65 Ca 0.03 -0.44 -0.00 0.00 1.00 0.00 0.00 64.86 65.45 1rd9 h ILE 65 Cb 0.90 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 37.90 1rd9 h ILE 65 CO 0.08 0.15 0.44 -0.33 0.00 0.00 0.00 178.15 178.49 1rd9 h GLU 66 N 0.29 0.97 -0.94 2.37 4.39 -1.20 -2.43 114.58 118.02 1rd9 h GLU 66 Ca 0.09 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1rd9 h GLU 66 Cb 0.13 -0.21 -0.05 0.00 -0.10 0.00 0.00 28.75 28.53 1rd9 h GLU 66 CO -0.01 0.68 0.59 -0.09 -1.16 0.00 0.00 179.01 179.02 1rd9 h ARG 67 N 0.98 1.27 -0.74 2.33 2.43 -0.85 -2.00 114.38 117.79 1rd9 h ARG 67 Ca 0.26 -0.10 -0.04 0.00 -0.81 0.00 0.00 59.98 59.29 1rd9 h ARG 67 Cb -0.05 -0.27 -0.03 0.00 -0.42 0.00 0.00 29.97 29.19 1rd9 h ARG 67 CO -0.05 0.87 0.30 1.98 -1.51 0.00 0.00 179.97 181.56 1rd9 h MET 68 N 1.29 1.10 -0.65 0.20 4.05 -0.63 0.76 114.93 121.06 1rd9 h MET 68 Ca 0.34 -0.19 -0.07 0.00 -0.28 0.00 0.00 59.70 59.50 1rd9 h MET 68 Cb -0.10 -0.18 -0.03 0.00 -0.80 0.00 0.00 31.60 30.50 1rd9 h MET 68 CO -0.07 0.89 0.12 0.87 0.23 0.00 0.00 176.91 178.95 1rd9 h LYS 69 N 1.06 1.05 -0.47 0.39 1.57 -1.13 -0.65 116.57 118.38 1rd9 h LYS 69 Ca 0.25 -0.27 0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1rd9 h LYS 69 Cb 0.20 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 1rd9 h LYS 69 CO -0.02 0.96 0.30 -0.44 -0.57 0.00 0.00 179.45 179.67 1rd9 h ASP 70 N 0.99 0.50 -0.42 0.86 3.32 -0.60 -2.14 116.42 118.92 1rd9 h ASP 70 Ca 0.20 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.22 1rd9 h ASP 70 Cb 0.41 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 1rd9 h ASP 70 CO 0.01 0.35 0.18 0.74 -1.72 0.00 0.00 179.24 178.80 1rd9 h THR 71 N 0.60 1.19 -0.77 0.35 2.02 -0.24 -2.45 112.91 113.61 1rd9 h THR 71 Ca 0.18 -0.58 -0.05 0.00 0.77 0.00 0.00 66.41 66.73 1rd9 h THR 71 Cb -0.02 0.80 -0.03 0.00 -1.74 0.00 0.00 68.15 67.15 1rd9 h THR 71 CO -0.07 0.22 0.28 -0.07 0.37 0.00 0.00 175.52 176.25 1rd9 h LEU 72 N 0.53 1.08 -0.18 2.58 3.38 -1.04 0.78 115.31 122.44 1rd9 h LEU 72 Ca 0.14 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1rd9 h LEU 72 Cb 0.17 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1rd9 h LEU 72 CO -0.01 0.97 0.05 -0.09 0.09 0.00 0.00 178.44 179.45 1rd9 h ARG 73 N 1.12 0.28 -0.09 1.13 2.43 -1.22 0.63 114.38 118.67 1rd9 h ARG 73 Ca 0.25 -0.07 -0.14 0.00 -0.81 0.00 0.00 59.98 59.22 1rd9 h ARG 73 Cb 0.25 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 1rd9 h ARG 73 CO -0.02 0.41 -0.56 0.97 -1.51 0.00 0.00 179.97 179.27 1rd9 h ILE 74 N 0.10 1.37 -0.48 1.20 2.10 -1.31 -0.73 117.51 119.76 1rd9 h ILE 74 Ca 0.06 -1.87 -0.01 0.00 1.08 0.00 0.00 64.86 64.11 1rd9 h ILE 74 Cb 0.25 1.92 -0.02 0.00 -1.09 0.00 0.00 36.82 37.88 1rd9 h ILE 74 CO -0.00 0.56 0.26 0.00 -1.08 0.00 0.00 178.15 177.89 1rd9 h ALA 75 N 1.21 0.62 -0.10 0.18 0.00 -0.71 -0.73 119.26 119.72 1rd9 h ALA 75 Ca 0.00 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1rd9 h ALA 75 Cb 1.05 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 1rd9 h ALA 75 CO 0.09 0.14 -0.01 -0.92 0.00 0.00 0.00 179.25 178.55 1rd9 h TYR 76 N 0.63 -0.03 0.00 0.00 3.20 -0.48 -1.58 116.97 118.72 1rd9 h TYR 76 Ca 0.17 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.97 1rd9 h TYR 76 Cb 0.06 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 1rd9 h TYR 76 CO -0.02 -0.03 -0.35 -0.07 -1.64 0.00 0.00 178.16 176.05 1rd9 h LEU 77 N 0.02 0.00 -0.92 2.82 3.38 -0.87 -2.59 115.31 117.14 1rd9 h LEU 77 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1rd9 h LEU 77 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1rd9 h LEU 77 CO -0.09 0.35 -0.13 0.35 0.09 0.00 0.00 178.44 179.01 1rd9 n THR 78 N -3.69 0.00 -2.94 0.22 -2.24 -0.30 -4.95 114.28 100.38 1rd9 n THR 78 Ca -0.01 -0.24 -0.22 0.00 -2.27 0.00 0.00 64.05 61.31 1rd9 n THR 78 Cb 0.45 0.65 0.02 0.00 -2.10 0.00 0.00 70.33 69.36 1rd9 n THR 78 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1rd9 n GLU 79 N 0.01 -4.23 -2.06 -0.78 1.02 -0.68 -4.94 120.64 108.99 1rd9 n GLU 79 Ca 0.15 0.88 -0.42 0.00 -0.02 0.00 0.00 57.16 57.76 1rd9 n GLU 79 Cb 0.39 -5.70 -0.03 0.00 -0.02 0.00 0.00 31.44 26.09 1rd9 n GLU 79 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1rd9 s ALA 80 N -3.12 3.64 0.08 0.62 0.00 -0.71 -4.73 121.76 117.55 1rd9 s ALA 80 Ca 0.26 1.25 -0.31 0.00 0.00 0.00 0.00 51.96 53.16 1rd9 s ALA 80 Cb -0.12 -3.56 -0.08 0.00 0.00 0.00 0.00 23.12 19.37 1rd9 s ALA 80 CO 0.32 -0.69 1.51 0.21 0.00 0.00 0.00 175.76 177.11 1rd9 s LYS 81 N 0.45 4.25 -0.15 0.00 2.20 -1.26 -4.29 119.74 120.94 1rd9 s LYS 81 Ca 0.63 2.18 -0.21 0.00 -0.36 0.00 0.00 55.97 58.22 1rd9 s LYS 81 Cb -0.40 -3.43 -0.03 0.00 -1.51 0.00 0.00 37.83 32.46 1rd9 s LYS 81 CO 0.36 -0.60 0.60 0.08 -0.36 0.00 0.00 175.35 175.43 1rd9 s VAL 82 N 1.94 5.07 -0.04 4.02 1.01 -0.12 -3.47 120.40 128.80 1rd9 s VAL 82 Ca 0.68 1.18 -0.01 0.00 0.00 0.00 0.00 61.98 63.83 1rd9 s VAL 82 Cb -0.38 -3.93 -0.00 0.00 0.00 0.00 0.00 36.38 32.07 1rd9 s VAL 82 CO 0.30 0.19 -0.01 -0.08 0.00 0.00 0.00 175.10 175.50 1rd9 h GLU 83 N 7.15 0.00 -4.86 2.72 4.81 -0.88 -0.83 114.58 122.69 1rd9 h GLU 83 Ca -0.36 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 58.56 1rd9 h GLU 83 Cb 1.16 0.00 -0.19 0.00 0.63 0.00 0.00 28.75 30.35 1rd9 h GLU 83 CO 0.76 0.00 -0.74 0.15 -0.73 0.00 0.00 179.01 178.46 1rd9 s LYS 84 N -1.28 0.74 -0.05 1.92 1.02 -1.14 -0.51 119.74 120.44 1rd9 s LYS 84 Ca -0.01 -1.02 0.06 0.00 0.02 0.00 0.00 55.97 55.02 1rd9 s LYS 84 Cb 0.00 -0.47 -0.01 0.00 -0.52 0.00 0.00 37.83 36.83 1rd9 s LYS 84 CO 0.02 0.08 -0.24 -0.51 -0.92 0.00 0.00 175.35 173.77 1rd9 s LEU 85 N -2.13 2.05 -0.21 3.17 1.43 -0.35 -1.11 118.68 121.53 1rd9 s LEU 85 Ca 0.00 -0.49 -0.13 0.00 -1.03 0.00 0.00 54.13 52.48 1rd9 s LEU 85 Cb -0.05 -1.31 -0.05 0.00 0.03 0.00 0.00 46.19 44.81 1rd9 s LEU 85 CO -0.00 0.24 0.27 0.00 0.23 0.00 0.00 176.35 177.09 1rd9 s VAL 87 N 1.01 1.03 -0.13 0.00 -7.23 -0.38 -0.21 120.40 114.48 1rd9 s VAL 87 Ca 0.13 -1.55 -0.26 0.00 -1.81 0.00 0.00 61.98 58.49 1rd9 s VAL 87 Cb -0.14 -1.28 -0.02 0.00 0.56 0.00 0.00 36.38 35.50 1rd9 s VAL 87 CO 0.05 -0.45 0.85 0.26 -0.31 0.00 0.00 175.10 175.51 1rd9 s TRP 88 N -2.08 3.48 -1.74 2.82 0.51 0.63 -1.53 118.94 121.04 1rd9 s TRP 88 Ca 0.04 1.35 0.21 0.00 -2.12 0.00 0.00 56.10 55.57 1rd9 s TRP 88 Cb -0.05 -3.02 0.61 0.00 -0.81 0.00 0.00 33.47 30.20 1rd9 s TRP 88 CO 0.01 -0.17 1.51 0.27 -0.51 0.00 0.00 176.95 178.06 1rd9 n ASN 89 N 4.88 3.90 -1.44 2.95 0.23 0.13 -1.82 115.26 124.09 1rd9 n ASN 89 Ca 0.04 -2.05 0.05 0.00 -0.53 0.00 0.00 54.58 52.10 1rd9 n ASN 89 Cb 0.49 -0.47 0.28 0.00 -2.08 0.00 0.00 39.78 38.01 1rd9 n ASN 89 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1rd9 n ASN 90 N 1.44 4.22 -4.10 0.53 6.94 -1.26 -4.87 115.26 118.15 1rd9 n ASN 90 Ca 0.23 -2.60 -0.11 0.00 -0.02 0.00 0.00 54.58 52.08 1rd9 n ASN 90 Cb 0.62 -0.61 -0.11 0.00 -2.36 0.00 0.00 39.78 37.33 1rd9 n ASN 90 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1rd9 s LYS 91 N -2.16 0.64 -0.07 -3.83 -0.14 -1.26 -5.10 119.74 107.83 1rd9 s LYS 91 Ca 0.38 -1.01 0.01 0.00 -1.36 0.00 0.00 55.97 53.99 1rd9 s LYS 91 Cb 0.28 -0.21 0.02 0.00 -1.68 0.00 0.00 37.83 36.25 1rd9 s LYS 91 CO 0.13 0.01 -0.07 0.99 -0.76 0.00 0.00 175.35 175.64 1rd9 s THR 92 N -2.43 0.82 0.91 2.17 2.01 -1.26 -2.88 115.64 114.98 1rd9 s THR 92 Ca -0.01 -0.25 -0.11 0.00 0.31 0.00 0.00 61.69 61.63 1rd9 s THR 92 Cb -0.03 -0.82 0.10 0.00 0.01 0.00 0.00 72.50 71.76 1rd9 s THR 92 CO -0.02 0.30 0.87 -2.65 -0.69 0.00 0.00 174.62 172.43 1rd9 n PRO 93 N 4.28 -0.32 -1.69 4.92 -0.02 -1.26 -5.04 135.00 135.87 1rd9 n PRO 93 Ca -0.20 -0.03 -0.42 0.00 -2.02 0.00 0.00 63.50 60.83 1rd9 n PRO 93 Cb 0.51 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 1rd9 n PRO 93 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1rd9 n HIS 94 N -3.88 2.06 -3.57 6.00 8.25 -1.14 -4.47 115.22 118.47 1rd9 n HIS 94 Ca 0.10 0.53 -0.37 0.00 -0.26 0.00 0.00 57.72 57.73 1rd9 n HIS 94 Cb 0.52 -2.37 -0.08 0.00 1.12 0.00 0.00 29.99 29.18 1rd9 n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1rd9 s ALA 95 N -1.16 3.60 0.03 -1.41 0.00 -0.76 -1.12 121.76 120.94 1rd9 s ALA 95 Ca 0.59 -0.71 -0.30 0.00 0.00 0.00 0.00 51.96 51.53 1rd9 s ALA 95 Cb -0.54 -2.41 -0.06 0.00 0.00 0.00 0.00 23.12 20.11 1rd9 s ALA 95 CO 0.59 -0.15 1.37 0.42 0.00 0.00 0.00 175.76 178.00 1rd9 s ILE 96 N 0.99 3.67 -0.18 0.00 1.01 0.26 -0.27 121.20 126.67 1rd9 s ILE 96 Ca 0.12 1.11 0.08 0.00 0.00 0.00 0.00 60.65 61.96 1rd9 s ILE 96 Cb -0.13 -3.71 -0.17 0.00 0.01 0.00 0.00 42.46 38.45 1rd9 s ILE 96 CO 0.05 0.03 -0.06 0.00 0.00 0.00 0.00 174.94 174.95 1rd9 n ALA 97 N 4.91 1.57 -3.18 9.38 0.00 0.71 -4.84 120.51 129.07 1rd9 n ALA 97 Ca 0.12 -0.99 -0.12 0.00 0.00 0.00 0.00 53.44 52.45 1rd9 n ALA 97 Cb 0.44 -0.04 -0.05 0.00 0.00 0.00 0.00 19.45 19.80 1rd9 n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rd9 s ALA 98 N -2.41 -1.16 0.02 0.00 0.00 -0.84 -4.98 121.76 112.40 1rd9 s ALA 98 Ca -0.18 0.29 0.03 0.00 0.00 0.00 0.00 51.96 52.11 1rd9 s ALA 98 Cb 0.06 0.56 -0.01 0.00 0.00 0.00 0.00 23.12 23.72 1rd9 s ALA 98 CO 0.58 -0.58 -0.11 -1.50 0.00 0.00 0.00 175.76 174.15 1rd9 s ILE 99 N -3.13 0.83 -0.01 0.00 2.07 -1.26 -1.08 121.20 118.63 1rd9 s ILE 99 Ca -0.01 -0.72 0.08 0.00 -1.41 0.00 0.00 60.65 58.59 1rd9 s ILE 99 Cb 0.00 -0.75 -0.02 0.00 0.13 0.00 0.00 42.46 41.82 1rd9 s ILE 99 CO -0.07 0.04 -0.24 -0.94 -1.91 0.00 0.00 174.94 171.82 1rd9 s SER 100 N -0.76 2.83 -0.10 4.50 1.04 -0.26 -5.00 113.70 115.95 1rd9 s SER 100 Ca 0.01 -0.46 0.03 0.00 0.48 0.00 0.00 55.95 56.01 1rd9 s SER 100 Cb -0.06 -0.30 0.01 0.00 0.10 0.00 0.00 66.02 65.76 1rd9 s SER 100 CO 0.00 0.28 -0.20 -0.04 0.98 0.00 0.00 173.24 174.26 1rd9 s MET 101 N -0.70 2.66 0.16 4.02 -1.94 -1.26 -0.28 119.30 121.95 1rd9 s MET 101 Ca 0.09 -0.74 -0.22 0.00 -1.71 0.00 0.00 55.69 53.12 1rd9 s MET 101 Cb -0.09 -2.07 0.06 0.00 2.01 0.00 0.00 34.83 34.74 1rd9 s MET 101 CO -0.00 0.10 0.57 0.00 -0.01 0.00 0.00 175.02 175.68 1rd9 s ALA 102 N 0.52 -1.48 -2.69 3.03 0.00 -1.23 -4.87 121.76 115.03 1rd9 s ALA 102 Ca -0.16 0.39 0.26 0.00 0.00 0.00 0.00 51.96 52.46 1rd9 s ALA 102 Cb -0.17 0.86 0.72 0.00 0.00 0.00 0.00 23.12 24.53 1rd9 s ALA 102 CO 0.06 -0.75 1.56 0.09 0.00 0.00 0.00 175.76 176.72