#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 3.57 0.00 -2.82 0.04 -1.26 -4.94 135.00 129.59 1rd9 s PRO 2 Ca 0.00 1.78 0.22 0.00 0.04 0.00 0.00 61.00 63.04 1rd9 s PRO 2 Cb 0.00 -2.27 -0.11 0.00 0.04 0.00 0.00 34.50 32.16 1rd9 s PRO 2 CO 0.00 -0.71 0.96 1.04 0.04 0.00 0.00 177.00 178.32 1rd9 n GLN 3 N -0.78 0.07 -3.86 4.56 1.13 -1.26 -4.97 117.38 112.28 1rd9 n GLN 3 Ca 0.09 -0.01 -0.08 0.00 -1.94 0.00 0.00 57.00 55.05 1rd9 n GLN 3 Cb 0.49 -1.51 -0.03 0.00 0.11 0.00 0.00 30.24 29.30 1rd9 n GLN 3 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1rd9 s ASN 4 N -3.18 -0.23 0.36 1.08 2.20 -1.26 -5.06 114.94 108.84 1rd9 s ASN 4 Ca 0.07 -0.64 0.05 0.00 -0.94 0.00 0.00 52.86 51.40 1rd9 s ASN 4 Cb 0.16 0.67 0.67 0.00 -2.00 0.00 0.00 41.25 40.75 1rd9 s ASN 4 CO 0.84 -1.24 1.91 -0.29 -2.94 0.00 0.00 177.10 175.39 1rd9 h ILE 5 N 2.09 1.18 -0.20 0.54 2.10 -1.96 -1.97 117.51 119.29 1rd9 h ILE 5 Ca -0.23 -0.67 -0.08 0.00 1.08 0.00 0.00 64.86 64.96 1rd9 h ILE 5 Cb 1.25 0.89 -0.00 0.00 -1.09 0.00 0.00 36.82 37.87 1rd9 h ILE 5 CO 0.29 0.23 -0.17 0.74 -1.08 0.00 0.00 178.15 178.16 1rd9 h THR 6 N 0.48 1.32 -0.65 2.19 2.02 -1.99 -0.65 112.91 115.64 1rd9 h THR 6 Ca 0.11 -1.31 -0.07 0.00 0.77 0.00 0.00 66.41 65.92 1rd9 h THR 6 Cb 0.26 1.73 -0.03 0.00 -1.74 0.00 0.00 68.15 68.37 1rd9 h THR 6 CO 0.00 0.40 0.15 0.44 0.37 0.00 0.00 175.52 176.88 1rd9 h ASP 7 N 0.15 0.98 -0.16 4.18 3.32 -1.95 -1.93 116.42 121.00 1rd9 h ASP 7 Ca 0.04 -0.20 -0.00 0.00 0.02 0.00 0.00 57.03 56.88 1rd9 h ASP 7 Cb 0.70 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 1rd9 h ASP 7 CO 0.04 0.95 0.09 0.25 -1.72 0.00 0.00 179.24 178.85 1rd9 h LEU 8 N 0.99 0.20 -1.22 1.55 6.46 -1.24 -2.88 115.31 119.18 1rd9 h LEU 8 Ca 0.21 -0.08 0.01 0.00 -0.12 0.00 0.00 57.88 57.90 1rd9 h LEU 8 Cb 0.36 -0.05 -0.04 0.00 -0.73 0.00 0.00 40.66 40.20 1rd9 h LEU 8 CO 0.00 0.22 0.53 0.00 -0.62 0.00 0.00 178.44 178.57 1rd9 n ALA 10 N -2.41 1.61 1.26 0.00 0.00 -0.75 -2.24 120.51 117.97 1rd9 n ALA 10 Ca 0.09 -0.05 0.14 0.00 0.00 0.00 0.00 53.44 53.63 1rd9 n ALA 10 Cb 0.03 -1.20 0.67 0.00 0.00 0.00 0.00 19.45 18.96 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 -1.45 0.28 -4.39 0.00 1.02 -0.65 -4.86 120.64 110.59 1rd9 n GLU 11 Ca 0.04 -0.02 -0.29 0.00 -0.02 0.00 0.00 57.16 56.87 1rd9 n GLU 11 Cb 0.13 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 29.93 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 -2.73 2.31 0.60 -0.32 1.51 -0.95 -5.14 117.35 112.63 1rd9 s TYR 12 Ca 0.23 -0.38 -0.10 0.00 -1.01 0.00 0.00 57.07 55.81 1rd9 s TYR 12 Cb 0.20 -1.24 -0.03 0.00 -0.11 0.00 0.00 41.96 40.78 1rd9 s TYR 12 CO 0.50 0.36 0.99 -1.01 -1.11 0.00 0.00 175.55 175.28 1rd9 s HIS 13 N -1.15 3.59 -1.46 2.71 3.76 -1.26 -4.25 115.29 117.23 1rd9 s HIS 13 Ca 0.15 1.18 -0.06 0.00 -0.15 0.00 0.00 55.06 56.18 1rd9 s HIS 13 Cb -0.10 -2.68 0.03 0.00 1.11 0.00 0.00 32.58 30.94 1rd9 s HIS 13 CO 0.07 -0.66 0.56 0.09 -0.85 0.00 0.00 174.74 173.94 1rd9 n ASN 14 N -2.69 -5.31 -4.42 1.40 5.03 -1.26 -4.96 115.26 103.06 1rd9 n ASN 14 Ca 0.05 -0.31 -0.22 0.00 0.87 0.00 0.00 54.58 54.97 1rd9 n ASN 14 Cb 0.54 -4.32 -0.10 0.00 -1.02 0.00 0.00 39.78 34.89 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 -3.09 2.21 0.11 3.41 -4.23 -1.26 -0.69 115.64 112.10 1rd9 s THR 15 Ca 0.33 -2.33 -0.15 0.00 -1.18 0.00 0.00 61.69 58.36 1rd9 s THR 15 Cb -0.16 -2.20 0.03 0.00 1.34 0.00 0.00 72.50 71.51 1rd9 s THR 15 CO 0.40 -0.46 0.37 0.00 -0.54 0.00 0.00 174.62 174.39 1rd9 s GLN 16 N -3.53 1.01 -0.13 3.99 -2.07 -0.29 -4.89 119.66 113.76 1rd9 s GLN 16 Ca 0.27 -0.70 -0.17 0.00 -1.82 0.00 0.00 55.36 52.93 1rd9 s GLN 16 Cb -0.04 0.44 -0.04 0.00 -1.09 0.00 0.00 33.01 32.28 1rd9 s GLN 16 CO 0.12 -0.38 0.45 0.42 -1.32 0.00 0.00 175.29 174.58 1rd9 s ILE 17 N -3.63 5.21 -0.18 3.63 -1.09 -1.26 -1.13 121.20 122.74 1rd9 s ILE 17 Ca 0.02 0.88 -0.07 0.00 -2.23 0.00 0.00 60.65 59.26 1rd9 s ILE 17 Cb 0.02 -3.79 -0.04 0.00 -1.58 0.00 0.00 42.46 37.07 1rd9 s ILE 17 CO -0.11 0.33 0.05 -1.00 -1.23 0.00 0.00 174.94 172.99 1rd9 s HIS 18 N 0.64 3.21 -0.27 3.97 3.76 -0.04 -4.99 115.29 121.57 1rd9 s HIS 18 Ca 0.24 0.00 -0.11 0.00 -0.15 0.00 0.00 55.06 55.05 1rd9 s HIS 18 Cb -0.15 -2.07 -0.05 0.00 1.11 0.00 0.00 32.58 31.42 1rd9 s HIS 18 CO 0.09 0.10 0.18 0.99 -0.85 0.00 0.00 174.74 175.25 1rd9 s THR 19 N 0.44 5.28 -0.21 1.30 2.01 -1.26 -1.22 115.64 121.98 1rd9 s THR 19 Ca 0.02 0.16 -0.08 0.00 0.31 0.00 0.00 61.69 62.10 1rd9 s THR 19 Cb -0.13 -3.50 -0.10 0.00 0.01 0.00 0.00 72.50 68.78 1rd9 s THR 19 CO 0.01 0.28 -0.25 0.18 -0.69 0.00 0.00 174.62 174.15 1rd9 n LEU 20 N 4.82 1.85 -4.16 4.42 7.99 0.41 -5.00 117.00 127.32 1rd9 n LEU 20 Ca -0.14 0.17 -0.33 0.00 -0.01 0.00 0.00 56.01 55.70 1rd9 n LEU 20 Cb 0.52 -0.64 -0.05 0.00 -0.11 0.00 0.00 43.42 43.14 1rd9 n LEU 20 CO 0.34 0.54 -0.35 0.59 -1.51 0.00 0.00 177.39 176.99 1rd9 n ASN 21 N -3.73 -0.55 -3.47 -1.43 3.02 0.15 -4.95 115.26 104.29 1rd9 n ASN 21 Ca -0.40 -1.21 -0.14 0.00 -0.03 0.00 0.00 54.58 52.80 1rd9 n ASN 21 Cb 0.81 -2.02 -0.04 0.00 -0.61 0.00 0.00 39.78 37.92 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 -4.19 -0.58 0.75 6.41 2.15 -0.86 -4.91 116.67 115.44 1rd9 s ASP 22 Ca 0.11 0.31 -0.11 0.00 0.43 0.00 0.00 52.55 53.30 1rd9 s ASP 22 Cb -0.06 0.55 0.04 0.00 -0.30 0.00 0.00 42.92 43.15 1rd9 s ASP 22 CO 0.96 -0.77 1.08 -1.59 -0.17 0.00 0.00 175.17 174.68 1rd9 s LYS 23 N -2.53 2.46 0.18 4.34 -2.85 -1.26 -0.93 119.74 119.15 1rd9 s LYS 23 Ca -0.04 0.86 -0.30 0.00 -1.00 0.00 0.00 55.97 55.49 1rd9 s LYS 23 Cb -0.01 -1.94 -0.08 0.00 -2.06 0.00 0.00 37.83 33.74 1rd9 s LYS 23 CO -0.03 -1.41 1.16 0.42 0.10 0.00 0.00 175.35 175.59 1rd9 s ILE 24 N -3.06 3.71 -0.04 3.79 1.01 -1.26 -4.68 121.20 120.67 1rd9 s ILE 24 Ca 0.60 1.44 -0.07 0.00 0.00 0.00 0.00 60.65 62.62 1rd9 s ILE 24 Cb -0.15 -3.92 -0.29 0.00 0.01 0.00 0.00 42.46 38.12 1rd9 s ILE 24 CO 0.55 0.23 0.69 0.15 0.00 0.00 0.00 174.94 176.56 1rd9 h PHE 25 N 5.27 0.56 -3.18 3.97 3.57 -0.96 -3.48 116.94 122.70 1rd9 h PHE 25 Ca -0.44 -0.41 -0.12 0.00 3.53 0.00 0.00 57.97 60.52 1rd9 h PHE 25 Cb 1.21 -0.02 -0.20 0.00 2.79 0.00 0.00 35.95 39.73 1rd9 h PHE 25 CO 0.63 1.56 -0.33 -1.54 -2.23 0.00 0.00 178.31 176.39 1rd9 s SER 26 N -7.10 -0.13 -0.08 0.41 1.04 -1.10 -4.98 113.70 101.76 1rd9 s SER 26 Ca -0.14 -0.01 0.01 0.00 0.48 0.00 0.00 55.95 56.29 1rd9 s SER 26 Cb 0.06 0.28 0.02 0.00 0.10 0.00 0.00 66.02 66.48 1rd9 s SER 26 CO 0.84 -0.44 -0.11 -0.47 0.98 0.00 0.00 173.24 174.05 1rd9 s TYR 27 N -1.42 1.48 -0.02 5.02 5.04 -1.26 -1.97 117.35 124.22 1rd9 s TYR 27 Ca -0.13 -0.62 0.04 0.00 -2.44 0.00 0.00 57.07 53.92 1rd9 s TYR 27 Cb -0.06 -1.13 -0.01 0.00 0.35 0.00 0.00 41.96 41.11 1rd9 s TYR 27 CO 0.03 -0.37 -0.15 0.99 -1.34 0.00 0.00 175.55 174.72 1rd9 s THR 28 N 1.04 1.18 0.00 4.34 2.01 0.01 -5.01 115.64 119.21 1rd9 s THR 28 Ca -0.07 -0.61 -0.00 0.00 0.31 0.00 0.00 61.69 61.31 1rd9 s THR 28 Cb -0.15 -1.00 -0.00 0.00 0.01 0.00 0.00 72.50 71.37 1rd9 s THR 28 CO -0.01 0.34 -0.00 -0.70 -0.69 0.00 0.00 174.62 173.56 1rd9 s GLU 29 N -0.17 0.05 -0.01 4.92 2.12 -1.26 -0.89 118.70 123.45 1rd9 s GLU 29 Ca 0.02 -0.08 0.04 0.00 0.36 0.00 0.00 54.97 55.30 1rd9 s GLU 29 Cb -0.08 0.02 -0.01 0.00 0.26 0.00 0.00 34.13 34.32 1rd9 s GLU 29 CO 0.00 -0.01 -0.12 0.45 -0.54 0.00 0.00 175.26 175.04 1rd9 s SER 30 N -0.21 1.44 0.00 -1.70 0.15 -0.67 -5.01 113.70 107.70 1rd9 s SER 30 Ca -0.02 -0.22 0.12 0.00 0.70 0.00 0.00 55.95 56.53 1rd9 s SER 30 Cb -0.01 -0.21 0.18 0.00 -1.71 0.00 0.00 66.02 64.26 1rd9 s SER 30 CO -0.00 0.14 1.02 0.00 1.20 0.00 0.00 173.24 175.60 1rd9 n LEU 31 N 2.88 2.36 -4.78 3.45 -0.00 -1.26 -3.20 117.00 116.45 1rd9 n LEU 31 Ca -0.15 -1.31 -0.41 0.00 -0.00 0.00 0.00 56.01 54.14 1rd9 n LEU 31 Cb 0.55 -0.08 -0.00 0.00 -0.00 0.00 0.00 43.42 43.89 1rd9 n LEU 31 CO 0.25 0.50 1.12 0.00 -0.00 0.00 0.00 177.39 179.25 1rd9 s ALA 32 N -1.04 3.57 0.21 1.47 0.00 -1.26 -4.83 121.76 119.87 1rd9 s ALA 32 Ca 0.18 1.54 -0.32 0.00 0.00 0.00 0.00 51.96 53.36 1rd9 s ALA 32 Cb 0.12 -3.59 -0.12 0.00 0.00 0.00 0.00 23.12 19.52 1rd9 s ALA 32 CO 0.16 -1.00 1.71 0.41 0.00 0.00 0.00 175.76 177.04 1rd9 n GLY 33 N 0.51 1.50 3.08 0.00 0.00 -1.26 -1.20 105.19 107.83 1rd9 n GLY 33 Ca 0.01 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.64 1rd9 n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1rd9 n LYS 34 N 3.85 -0.30 -2.58 1.61 4.76 -1.26 -4.84 118.16 119.40 1rd9 n LYS 34 Ca 0.16 0.07 -0.11 0.00 -2.87 0.00 0.00 58.31 55.56 1rd9 n LYS 34 Cb 0.35 -3.54 0.03 0.00 -1.84 0.00 0.00 35.03 30.03 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 -1.75 2.14 -2.66 1.97 5.12 -0.34 -4.97 116.66 116.16 1rd9 n ARG 35 Ca 0.00 -3.70 -0.43 0.00 -1.93 0.00 0.00 57.85 51.79 1rd9 n ARG 35 Cb 0.07 -1.71 -0.01 0.00 -1.16 0.00 0.00 32.46 29.65 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 -3.51 3.84 0.24 5.56 8.01 -1.17 -4.33 118.70 127.35 1rd9 s GLU 36 Ca 0.35 -1.79 -0.05 0.00 0.01 0.00 0.00 54.97 53.48 1rd9 s GLU 36 Cb 0.39 -5.35 -0.02 0.00 -4.31 0.00 0.00 34.13 24.84 1rd9 s GLU 36 CO -0.02 -2.12 0.30 0.00 0.01 0.00 0.00 175.26 173.42 1rd9 s MET 37 N 3.91 1.43 0.06 1.61 0.23 -1.19 -4.22 119.30 121.13 1rd9 s MET 37 Ca 0.48 -1.54 0.06 0.00 -1.03 0.00 0.00 55.69 53.66 1rd9 s MET 37 Cb 0.01 0.36 -0.03 0.00 -1.53 0.00 0.00 34.83 33.64 1rd9 s MET 37 CO -0.00 -0.54 -0.18 0.00 -2.03 0.00 0.00 175.02 172.27 1rd9 s ALA 38 N -3.95 1.51 -0.04 3.16 0.00 -1.19 -1.67 121.76 119.58 1rd9 s ALA 38 Ca 0.32 -1.01 0.03 0.00 0.00 0.00 0.00 51.96 51.30 1rd9 s ALA 38 Cb 0.03 -0.24 0.01 0.00 0.00 0.00 0.00 23.12 22.92 1rd9 s ALA 38 CO 0.13 0.30 -0.12 0.42 0.00 0.00 0.00 175.76 176.49 1rd9 s ILE 39 N -0.95 1.04 0.16 0.00 1.01 -0.07 -0.85 121.20 121.55 1rd9 s ILE 39 Ca 0.04 -0.47 0.10 0.00 0.00 0.00 0.00 60.65 60.32 1rd9 s ILE 39 Cb -0.09 -0.93 -0.04 0.00 0.01 0.00 0.00 42.46 41.41 1rd9 s ILE 39 CO 0.02 0.32 -0.21 0.27 0.00 0.00 0.00 174.94 175.34 1rd9 s ILE 40 N 0.36 2.00 0.17 2.92 -4.36 0.15 -0.81 121.20 121.63 1rd9 s ILE 40 Ca -0.08 -1.87 0.04 0.00 -0.26 0.00 0.00 60.65 58.48 1rd9 s ILE 40 Cb -0.12 -1.89 -0.05 0.00 1.25 0.00 0.00 42.46 41.65 1rd9 s ILE 40 CO 0.02 -0.17 -0.06 0.42 0.24 0.00 0.00 174.94 175.39 1rd9 s THR 41 N -1.69 1.01 0.32 8.37 -4.23 -0.83 -1.26 115.64 117.34 1rd9 s THR 41 Ca 0.15 -2.03 0.10 0.00 -1.18 0.00 0.00 61.69 58.74 1rd9 s THR 41 Cb -0.08 -2.01 -0.06 0.00 1.34 0.00 0.00 72.50 71.70 1rd9 s THR 41 CO 0.07 -0.60 -0.13 -0.36 -0.54 0.00 0.00 174.62 173.06 1rd9 s PHE 42 N -3.43 2.37 0.29 3.99 0.08 -0.43 -0.27 117.98 120.58 1rd9 s PHE 42 Ca 0.20 -0.44 0.35 0.00 0.12 0.00 0.00 56.93 57.16 1rd9 s PHE 42 Cb 0.04 -1.26 1.64 0.00 -0.57 0.00 0.00 43.02 42.87 1rd9 s PHE 42 CO 0.03 0.63 2.09 1.57 -0.10 0.00 0.00 175.22 179.44 1rd9 h LYS 43 N 2.10 0.00 0.00 0.44 2.10 -1.89 -0.16 116.57 119.15 1rd9 h LYS 43 Ca -0.41 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.24 1rd9 h LYS 43 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 1rd9 h LYS 43 CO 0.67 0.03 0.00 0.27 -2.00 0.00 0.00 179.45 178.42 1rd9 n ASN 44 N -3.17 0.00 0.00 7.07 0.23 -1.26 -4.87 115.26 113.26 1rd9 n ASN 44 Ca -0.01 -0.78 0.00 0.00 -0.53 0.00 0.00 54.58 53.26 1rd9 n ASN 44 Cb 0.24 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.94 1rd9 n ASN 44 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1rd9 n GLY 45 N 0.40 0.81 3.76 4.83 0.00 -0.07 -5.05 105.19 109.87 1rd9 n GLY 45 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1rd9 n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rd9 s ALA 46 N -2.35 3.51 -0.02 4.61 0.00 -1.25 -4.81 121.76 121.45 1rd9 s ALA 46 Ca 0.00 1.19 0.04 0.00 0.00 0.00 0.00 51.96 53.19 1rd9 s ALA 46 Cb 0.00 -3.47 -0.01 0.00 0.00 0.00 0.00 23.12 19.64 1rd9 s ALA 46 CO 0.00 -0.57 -0.15 0.99 0.00 0.00 0.00 175.76 176.02 1rd9 s THR 47 N -0.65 1.24 0.03 0.00 2.01 -1.26 -1.31 115.64 115.69 1rd9 s THR 47 Ca 0.52 -0.64 0.00 0.00 0.31 0.00 0.00 61.69 61.88 1rd9 s THR 47 Cb -0.38 -1.05 -0.02 0.00 0.01 0.00 0.00 72.50 71.06 1rd9 s THR 47 CO 0.46 0.36 -0.04 -0.36 -0.69 0.00 0.00 174.62 174.35 1rd9 s PHE 48 N -0.16 0.37 0.22 4.92 0.08 -0.38 -4.13 117.98 118.90 1rd9 s PHE 48 Ca 0.02 -0.60 0.11 0.00 0.12 0.00 0.00 56.93 56.58 1rd9 s PHE 48 Cb -0.08 -0.26 -0.05 0.00 -0.57 0.00 0.00 43.02 42.07 1rd9 s PHE 48 CO 0.00 -0.19 -0.21 1.14 -0.10 0.00 0.00 175.22 175.86 1rd9 s GLN 49 N -1.82 1.64 -0.34 0.44 -2.07 -0.46 -0.67 119.66 116.38 1rd9 s GLN 49 Ca -0.12 -1.57 -0.12 0.00 -1.82 0.00 0.00 55.36 51.74 1rd9 s GLN 49 Cb -0.08 -1.86 -0.01 0.00 -1.09 0.00 0.00 33.01 29.97 1rd9 s GLN 49 CO -0.02 0.38 0.21 0.08 -1.32 0.00 0.00 175.29 174.63 1rd9 s VAL 50 N -1.93 4.98 0.68 3.63 1.01 -0.03 -0.60 120.40 128.14 1rd9 s VAL 50 Ca 0.24 -0.40 -0.17 0.00 0.00 0.00 0.00 61.98 61.66 1rd9 s VAL 50 Cb -0.07 -3.59 -0.00 0.00 0.00 0.00 0.00 36.38 32.71 1rd9 s VAL 50 CO 0.12 -0.04 1.12 -0.62 0.00 0.00 0.00 175.10 175.68 1rd9 n GLU 51 N 5.06 0.77 -1.77 2.72 1.02 -1.26 -3.14 120.64 124.04 1rd9 n GLU 51 Ca -0.13 0.32 -0.41 0.00 -0.02 0.00 0.00 57.16 56.92 1rd9 n GLU 51 Cb 0.49 -2.36 -0.01 0.00 -0.02 0.00 0.00 31.44 29.54 1rd9 n GLU 51 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1rd9 s VAL 52 N -1.63 2.04 0.23 2.62 1.01 -1.26 -4.87 120.40 118.54 1rd9 s VAL 52 Ca 0.78 0.04 -0.32 0.00 0.00 0.00 0.00 61.98 62.48 1rd9 s VAL 52 Cb -0.37 -3.02 -0.12 0.00 0.00 0.00 0.00 36.38 32.87 1rd9 s VAL 52 CO 0.46 0.01 1.63 -2.65 0.00 0.00 0.00 175.10 174.55 1rd9 n PRO 53 N 1.94 2.59 -2.41 2.72 -0.02 -1.26 -4.96 135.00 133.60 1rd9 n PRO 53 Ca 0.07 0.93 -0.05 0.00 -2.02 0.00 0.00 63.50 62.43 1rd9 n PRO 53 Cb 0.38 -2.73 -0.01 0.00 -0.02 0.00 0.00 33.50 31.12 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 3.17 2.69 0.33 -1.23 0.00 -1.26 -5.04 105.19 103.85 1rd9 n GLY 54 Ca 0.13 -1.44 0.16 0.00 0.00 0.00 0.00 46.02 44.88 1rd9 n GLY 54 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1rd9 h SER 55 N 0.71 0.00 0.89 1.61 0.02 -2.03 -1.49 113.55 113.26 1rd9 h SER 55 Ca -0.10 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 1rd9 h SER 55 Cb 0.43 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.97 1rd9 h SER 55 CO 0.13 0.00 0.00 0.06 -1.14 0.00 0.00 176.83 175.88 1rd9 h GLN 56 N 0.00 0.00 -5.87 3.45 -0.00 -1.97 -3.44 115.11 107.29 1rd9 h GLN 56 Ca 0.10 0.00 -0.62 0.00 -0.00 0.00 0.00 58.65 58.14 1rd9 h GLN 56 Cb 0.51 0.00 -0.06 0.00 -0.00 0.00 0.00 27.48 27.92 1rd9 h GLN 56 CO -0.00 0.00 -0.27 -1.01 -0.00 0.00 0.00 178.83 177.55 1rd9 s HIS 57 N -3.32 3.66 0.55 0.06 3.76 -0.56 -5.10 115.29 114.34 1rd9 s HIS 57 Ca 0.05 0.86 -0.03 0.00 -0.15 0.00 0.00 55.06 55.78 1rd9 s HIS 57 Cb 0.10 -2.24 0.01 0.00 1.11 0.00 0.00 32.58 31.56 1rd9 s HIS 57 CO 0.44 0.59 0.82 0.96 -0.85 0.00 0.00 174.74 176.70 1rd9 s ILE 58 N -0.80 3.51 0.35 0.60 -4.36 -1.26 -4.91 121.20 114.32 1rd9 s ILE 58 Ca 0.21 -0.28 0.05 0.00 -0.26 0.00 0.00 60.65 60.38 1rd9 s ILE 58 Cb -0.15 -3.36 0.29 0.00 1.25 0.00 0.00 42.46 40.49 1rd9 s ILE 58 CO 0.10 -0.32 1.93 -0.78 0.24 0.00 0.00 174.94 176.12 1rd9 h ASP 59 N 0.01 0.72 0.87 4.36 3.58 -1.98 -0.60 116.42 123.37 1rd9 h ASP 59 Ca -0.45 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.01 1rd9 h ASP 59 Cb 1.27 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 42.17 1rd9 h ASP 59 CO 0.58 0.45 0.00 0.77 -2.88 0.00 0.00 179.24 178.16 1rd9 h SER 60 N 0.81 0.00 1.81 2.28 4.64 -2.05 -2.48 113.55 118.56 1rd9 h SER 60 Ca 0.35 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.67 1rd9 h SER 60 Cb 0.32 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1rd9 h SER 60 CO -0.13 0.00 -0.00 1.56 -0.87 0.00 0.00 176.83 177.39 1rd9 h GLN 61 N 0.00 0.00 -0.40 4.77 4.20 -1.48 -3.38 115.11 118.82 1rd9 h GLN 61 Ca 0.00 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.72 1rd9 h GLN 61 Cb 0.43 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.19 1rd9 h GLN 61 CO 0.00 0.00 0.25 0.87 -0.67 0.00 0.00 178.83 179.28 1rd9 h LYS 62 N 0.00 0.49 -0.26 1.46 1.79 -1.52 0.10 116.57 118.63 1rd9 h LYS 62 Ca -0.00 -0.03 -0.11 0.00 -2.18 0.00 0.00 60.65 58.33 1rd9 h LYS 62 Cb 0.91 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 31.44 1rd9 h LYS 62 CO 0.00 0.32 -0.30 0.87 -1.08 0.00 0.00 179.45 179.26 1rd9 h LYS 63 N 0.50 0.53 -0.13 3.15 1.57 -1.78 -2.83 116.57 117.59 1rd9 h LYS 63 Ca 0.15 -0.22 -0.15 0.00 -1.87 0.00 0.00 60.65 58.56 1rd9 h LYS 63 Cb -0.02 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 1rd9 h LYS 63 CO -0.06 0.78 -0.57 0.00 -0.57 0.00 0.00 179.45 179.03 1rd9 h ALA 64 N 1.22 0.79 -0.18 3.86 0.00 -1.52 -1.14 119.26 122.29 1rd9 h ALA 64 Ca 0.06 -0.52 0.01 0.00 0.00 0.00 0.00 54.91 54.46 1rd9 h ALA 64 Cb 0.75 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1rd9 h ALA 64 CO 0.06 0.70 0.10 0.82 0.00 0.00 0.00 179.25 180.93 1rd9 h ILE 65 N 0.30 1.01 -0.84 0.00 2.04 -0.73 -0.34 117.51 118.95 1rd9 h ILE 65 Ca 0.00 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.79 1rd9 h ILE 65 Cb 1.08 0.79 -0.04 0.00 -0.74 0.00 0.00 36.82 37.91 1rd9 h ILE 65 CO 0.10 0.04 0.54 -0.33 0.00 0.00 0.00 178.15 178.50 1rd9 h GLU 66 N 0.21 1.12 -0.67 2.37 4.39 -1.27 -2.34 114.58 118.38 1rd9 h GLU 66 Ca 0.07 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 1rd9 h GLU 66 Cb 0.00 -0.25 -0.03 0.00 -0.10 0.00 0.00 28.75 28.37 1rd9 h GLU 66 CO -0.04 0.76 0.37 -0.09 -1.16 0.00 0.00 179.01 178.85 1rd9 h ARG 67 N 1.15 0.93 -0.65 2.33 2.43 -0.99 -2.19 114.38 117.39 1rd9 h ARG 67 Ca 0.31 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 1rd9 h ARG 67 Cb -0.10 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.23 1rd9 h ARG 67 CO -0.06 0.70 0.41 1.98 -1.51 0.00 0.00 179.97 181.49 1rd9 h MET 68 N 0.92 0.88 -0.68 0.20 4.05 -0.70 0.12 114.93 119.71 1rd9 h MET 68 Ca 0.24 -0.07 -0.06 0.00 -0.28 0.00 0.00 59.70 59.53 1rd9 h MET 68 Cb 0.03 -0.19 -0.03 0.00 -0.80 0.00 0.00 31.60 30.61 1rd9 h MET 68 CO -0.04 0.61 0.19 0.87 0.23 0.00 0.00 176.91 178.77 1rd9 h LYS 69 N 0.89 1.07 -0.56 0.39 1.57 -1.20 -0.50 116.57 118.22 1rd9 h LYS 69 Ca 0.24 -0.23 0.04 0.00 -1.87 0.00 0.00 60.65 58.82 1rd9 h LYS 69 Cb -0.06 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.05 1rd9 h LYS 69 CO -0.05 0.93 0.31 -0.44 -0.57 0.00 0.00 179.45 179.63 1rd9 h ASP 70 N 1.02 0.47 -0.47 0.86 3.32 -0.71 -1.96 116.42 118.95 1rd9 h ASP 70 Ca 0.22 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.28 1rd9 h ASP 70 Cb 0.32 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 1rd9 h ASP 70 CO -0.00 0.32 0.23 0.74 -1.72 0.00 0.00 179.24 178.81 1rd9 h THR 71 N 0.60 1.18 -0.39 0.35 2.02 -0.21 -1.77 112.91 114.69 1rd9 h THR 71 Ca 0.24 -0.50 -0.14 0.00 0.77 0.00 0.00 66.41 66.79 1rd9 h THR 71 Cb 0.11 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.17 1rd9 h THR 71 CO -0.15 0.20 -0.30 -0.07 0.37 0.00 0.00 175.52 175.57 1rd9 h LEU 72 N 0.61 0.88 -0.03 2.58 3.38 -0.95 0.19 115.31 121.98 1rd9 h LEU 72 Ca 0.16 -0.36 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 1rd9 h LEU 72 Cb 0.10 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 1rd9 h LEU 72 CO -0.02 1.11 0.02 -0.09 0.09 0.00 0.00 178.44 179.55 1rd9 h ARG 73 N 0.71 0.04 -0.12 1.13 2.43 -1.24 0.44 114.38 117.77 1rd9 h ARG 73 Ca 0.08 -0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.09 1rd9 h ARG 73 Cb 0.86 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.39 1rd9 h ARG 73 CO 0.08 0.07 -0.59 0.97 -1.51 0.00 0.00 179.97 178.99 1rd9 h ILE 74 N -0.00 1.35 -0.37 1.20 6.09 -1.16 -0.75 117.51 123.87 1rd9 h ILE 74 Ca 0.01 -1.90 0.02 0.00 -1.37 0.00 0.00 64.86 61.63 1rd9 h ILE 74 Cb 0.04 1.90 -0.03 0.00 0.47 0.00 0.00 36.82 39.20 1rd9 h ILE 74 CO -0.00 0.57 0.19 0.00 -3.07 0.00 0.00 178.15 175.85 1rd9 h ALA 75 N 1.07 0.46 0.00 0.18 0.00 -0.85 -1.38 119.26 118.75 1rd9 h ALA 75 Ca -0.00 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1rd9 h ALA 75 Cb 1.11 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1rd9 h ALA 75 CO 0.10 -0.17 -0.04 -0.92 0.00 0.00 0.00 179.25 178.22 1rd9 h TYR 76 N 0.40 -0.11 0.00 0.00 3.20 -0.54 -1.28 116.97 118.64 1rd9 h TYR 76 Ca 0.15 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.97 1rd9 h TYR 76 Cb 0.04 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 1rd9 h TYR 76 CO -0.09 -0.07 -0.27 -0.07 -1.64 0.00 0.00 178.16 176.02 1rd9 h LEU 77 N -0.08 0.00 -0.77 2.82 3.38 -0.98 -2.47 115.31 117.22 1rd9 h LEU 77 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1rd9 h LEU 77 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1rd9 h LEU 77 CO -0.04 0.27 -0.28 0.35 0.09 0.00 0.00 178.44 178.82 1rd9 n THR 78 N -3.65 0.00 -2.79 0.22 -2.24 -0.53 -4.95 114.28 100.33 1rd9 n THR 78 Ca -0.01 -0.20 -0.19 0.00 -2.27 0.00 0.00 64.05 61.38 1rd9 n THR 78 Cb 0.39 0.72 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 -0.27 -3.67 -2.27 -0.78 1.02 -0.57 -4.95 120.64 109.16 1rd9 n GLU 79 Ca 0.12 0.81 -0.41 0.00 -0.02 0.00 0.00 57.16 57.66 1rd9 n GLU 79 Cb 0.40 -5.39 -0.03 0.00 -0.02 0.00 0.00 31.44 26.40 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 -3.05 3.48 0.03 0.62 0.00 -0.70 -4.74 121.76 117.40 1rd9 s ALA 80 Ca 0.21 1.08 -0.30 0.00 0.00 0.00 0.00 51.96 52.94 1rd9 s ALA 80 Cb -0.09 -3.44 -0.06 0.00 0.00 0.00 0.00 23.12 19.53 1rd9 s ALA 80 CO 0.26 -0.46 1.30 0.21 0.00 0.00 0.00 175.76 177.06 1rd9 s LYS 81 N -0.76 4.35 -0.21 0.00 2.20 -1.26 -4.24 119.74 119.82 1rd9 s LYS 81 Ca 0.52 1.88 -0.22 0.00 -0.36 0.00 0.00 55.97 57.79 1rd9 s LYS 81 Cb -0.36 -3.43 -0.02 0.00 -1.51 0.00 0.00 37.83 32.51 1rd9 s LYS 81 CO 0.42 -0.42 0.67 0.08 -0.36 0.00 0.00 175.35 175.74 1rd9 s VAL 82 N 1.66 4.98 -0.01 4.02 1.01 -0.11 -3.44 120.40 128.51 1rd9 s VAL 82 Ca 0.61 1.27 -0.01 0.00 0.00 0.00 0.00 61.98 63.85 1rd9 s VAL 82 Cb -0.31 -3.98 -0.01 0.00 0.00 0.00 0.00 36.38 32.08 1rd9 s VAL 82 CO 0.27 0.06 0.18 -0.08 0.00 0.00 0.00 175.10 175.54 1rd9 h GLU 83 N 7.57 -0.04 -4.80 2.72 4.81 -1.02 0.61 114.58 124.43 1rd9 h GLU 83 Ca -0.29 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 58.64 1rd9 h GLU 83 Cb 1.13 0.01 -0.19 0.00 0.63 0.00 0.00 28.75 30.33 1rd9 h GLU 83 CO 0.79 -0.03 -0.74 0.15 -0.73 0.00 0.00 179.01 178.46 1rd9 s LYS 84 N -1.51 0.70 -0.09 1.92 1.02 -1.15 -0.45 119.74 120.18 1rd9 s LYS 84 Ca -0.01 -0.97 0.04 0.00 0.02 0.00 0.00 55.97 55.05 1rd9 s LYS 84 Cb 0.00 -0.43 -0.01 0.00 -0.52 0.00 0.00 37.83 36.88 1rd9 s LYS 84 CO 0.02 0.07 -0.21 -0.51 -0.92 0.00 0.00 175.35 173.80 1rd9 s LEU 85 N -2.03 2.29 -0.17 3.17 1.43 -0.36 -0.95 118.68 122.04 1rd9 s LEU 85 Ca -0.02 -0.46 -0.16 0.00 -1.03 0.00 0.00 54.13 52.46 1rd9 s LEU 85 Cb -0.06 -1.46 -0.04 0.00 0.03 0.00 0.00 46.19 44.66 1rd9 s LEU 85 CO -0.00 0.20 0.41 0.00 0.23 0.00 0.00 176.35 177.19 1rd9 s VAL 87 N 1.04 0.86 -0.09 0.00 -7.23 -0.29 -0.19 120.40 114.50 1rd9 s VAL 87 Ca 0.21 -1.43 -0.26 0.00 -1.81 0.00 0.00 61.98 58.69 1rd9 s VAL 87 Cb -0.15 -1.11 -0.03 0.00 0.56 0.00 0.00 36.38 35.66 1rd9 s VAL 87 CO 0.08 -0.45 0.84 0.26 -0.31 0.00 0.00 175.10 175.52 1rd9 s TRP 88 N -1.95 3.54 -1.69 2.82 0.51 0.47 -1.13 118.94 121.50 1rd9 s TRP 88 Ca -0.00 1.38 0.21 0.00 -2.12 0.00 0.00 56.10 55.58 1rd9 s TRP 88 Cb -0.06 -2.98 0.67 0.00 -0.81 0.00 0.00 33.47 30.28 1rd9 s TRP 88 CO 0.00 -0.08 1.57 0.27 -0.51 0.00 0.00 176.95 178.20 1rd9 n ASN 89 N 4.42 4.21 -1.85 2.95 0.23 0.14 -1.75 115.26 123.61 1rd9 n ASN 89 Ca 0.03 -2.14 0.00 0.00 -0.53 0.00 0.00 54.58 51.94 1rd9 n ASN 89 Cb 0.50 -0.52 0.32 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 1.47 4.97 -4.07 0.53 6.94 -1.26 -4.91 115.26 118.93 1rd9 n ASN 90 Ca 0.25 -2.99 -0.11 0.00 -0.02 0.00 0.00 54.58 51.71 1rd9 n ASN 90 Cb 0.71 -0.70 -0.11 0.00 -2.36 0.00 0.00 39.78 37.32 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 -2.70 0.56 -0.10 -3.83 -0.14 -1.26 -5.10 119.74 107.19 1rd9 s LYS 91 Ca 0.50 -0.91 0.00 0.00 -1.36 0.00 0.00 55.97 54.21 1rd9 s LYS 91 Cb 0.39 -0.15 0.02 0.00 -1.68 0.00 0.00 37.83 36.42 1rd9 s LYS 91 CO 0.13 -0.00 -0.09 0.99 -0.76 0.00 0.00 175.35 175.63 1rd9 s THR 92 N -2.15 1.05 0.94 2.17 2.01 -1.26 -2.72 115.64 115.67 1rd9 s THR 92 Ca -0.05 -0.34 -0.10 0.00 0.31 0.00 0.00 61.69 61.51 1rd9 s THR 92 Cb -0.05 -1.04 0.16 0.00 0.01 0.00 0.00 72.50 71.59 1rd9 s THR 92 CO -0.02 0.36 1.13 -2.84 -0.69 0.00 0.00 174.62 172.56 1rd9 s PRO 93 N 1.40 0.81 0.35 4.92 0.02 -1.26 -5.05 135.00 136.18 1rd9 s PRO 93 Ca -0.01 1.47 -0.27 0.00 0.02 0.00 0.00 61.00 62.21 1rd9 s PRO 93 Cb -0.13 -1.71 -0.12 0.00 0.02 0.00 0.00 34.50 32.55 1rd9 s PRO 93 CO -0.05 -2.75 1.09 0.72 -0.33 0.00 0.00 177.00 175.69 1rd9 n HIS 94 N -4.31 1.54 -3.84 6.54 8.25 -1.10 -4.48 115.22 117.82 1rd9 n HIS 94 Ca 0.11 0.61 -0.36 0.00 -0.26 0.00 0.00 57.72 57.83 1rd9 n HIS 94 Cb 0.52 -2.29 -0.10 0.00 1.12 0.00 0.00 29.99 29.24 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 -1.14 3.44 0.07 -1.41 0.00 -0.72 -1.35 121.76 120.66 1rd9 s ALA 95 Ca 0.59 -0.86 -0.31 0.00 0.00 0.00 0.00 51.96 51.38 1rd9 s ALA 95 Cb -0.62 -2.09 -0.07 0.00 0.00 0.00 0.00 23.12 20.34 1rd9 s ALA 95 CO 0.60 -0.07 1.40 0.42 0.00 0.00 0.00 175.76 178.11 1rd9 s ILE 96 N 0.82 3.46 -0.15 0.00 1.01 0.23 -0.40 121.20 126.17 1rd9 s ILE 96 Ca 0.05 0.99 0.09 0.00 0.00 0.00 0.00 60.65 61.78 1rd9 s ILE 96 Cb -0.13 -3.63 -0.16 0.00 0.01 0.00 0.00 42.46 38.54 1rd9 s ILE 96 CO 0.02 0.05 -0.01 0.00 0.00 0.00 0.00 174.94 175.00 1rd9 n ALA 97 N 4.47 1.64 -3.33 9.38 0.00 0.73 -4.84 120.51 128.56 1rd9 n ALA 97 Ca 0.12 -0.90 -0.13 0.00 0.00 0.00 0.00 53.44 52.53 1rd9 n ALA 97 Cb 0.43 -0.01 -0.04 0.00 0.00 0.00 0.00 19.45 19.82 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 -2.35 -1.41 -0.00 0.00 0.00 -0.87 -4.97 121.76 112.16 1rd9 s ALA 98 Ca -0.12 0.57 0.02 0.00 0.00 0.00 0.00 51.96 52.43 1rd9 s ALA 98 Cb 0.05 0.52 -0.01 0.00 0.00 0.00 0.00 23.12 23.68 1rd9 s ALA 98 CO 0.54 -0.58 -0.08 -1.50 0.00 0.00 0.00 175.76 174.14 1rd9 s ILE 99 N -2.83 0.61 -0.02 0.00 2.07 -1.26 -1.29 121.20 118.48 1rd9 s ILE 99 Ca -0.03 -0.40 0.07 0.00 -1.41 0.00 0.00 60.65 58.88 1rd9 s ILE 99 Cb -0.00 -0.53 -0.02 0.00 0.13 0.00 0.00 42.46 42.04 1rd9 s ILE 99 CO -0.05 0.12 -0.24 -0.94 -1.91 0.00 0.00 174.94 171.92 1rd9 s SER 100 N -0.31 2.85 -0.09 4.50 1.04 -0.13 -5.01 113.70 116.56 1rd9 s SER 100 Ca 0.02 -0.44 0.04 0.00 0.48 0.00 0.00 55.95 56.05 1rd9 s SER 100 Cb -0.04 -0.35 0.00 0.00 0.10 0.00 0.00 66.02 65.74 1rd9 s SER 100 CO -0.00 0.29 -0.22 -0.04 0.98 0.00 0.00 173.24 174.25 1rd9 s MET 101 N -0.54 2.85 0.03 4.02 -1.94 -1.26 -0.50 119.30 121.96 1rd9 s MET 101 Ca 0.09 -0.81 -0.23 0.00 -1.71 0.00 0.00 55.69 53.02 1rd9 s MET 101 Cb -0.10 -2.17 0.05 0.00 2.01 0.00 0.00 34.83 34.62 1rd9 s MET 101 CO -0.01 0.16 0.53 0.00 -0.01 0.00 0.00 175.02 175.69 1rd9 s ALA 102 N 0.38 -1.35 0.00 3.03 0.00 -1.22 -4.87 121.76 117.73 1rd9 s ALA 102 Ca -0.18 0.66 0.00 0.00 0.00 0.00 0.00 51.96 52.44 1rd9 s ALA 102 Cb -0.18 0.32 0.00 0.00 0.00 0.00 0.00 23.12 23.27 1rd9 s ALA 102 CO 0.08 -0.48 0.00 0.09 0.00 0.00 0.00 175.76 175.46