#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rf2 n PRO 2 N 0.00 2.42 0.16 -0.78 -0.02 -1.26 -4.91 135.00 130.61 1rf2 n PRO 2 Ca 0.00 0.85 0.09 0.00 -2.02 0.00 0.00 63.50 62.42 1rf2 n PRO 2 Cb 0.00 -2.59 0.08 0.00 -0.02 0.00 0.00 33.50 30.97 1rf2 n PRO 2 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 1rf2 h GLN 3 N 2.64 0.00 -2.63 -0.52 1.08 -2.01 -3.49 115.11 110.17 1rf2 h GLN 3 Ca -0.50 0.00 0.12 0.00 -1.45 0.00 0.00 58.65 56.82 1rf2 h GLN 3 Cb 1.26 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.64 1rf2 h GLN 3 CO 0.63 0.13 0.42 0.54 -0.95 0.00 0.00 178.83 179.59 1rf2 s ASN 4 N -6.02 -0.12 0.33 1.46 2.20 -1.26 -5.05 114.94 106.48 1rf2 s ASN 4 Ca 0.04 -0.65 0.07 0.00 -0.94 0.00 0.00 52.86 51.38 1rf2 s ASN 4 Cb 0.07 0.60 0.58 0.00 -2.00 0.00 0.00 41.25 40.50 1rf2 s ASN 4 CO 0.73 -1.16 1.79 -0.29 -2.94 0.00 0.00 177.10 175.23 1rf2 h ILE 5 N 2.00 1.25 -0.22 0.54 2.10 -1.96 -1.70 117.51 119.52 1rf2 h ILE 5 Ca -0.25 -1.18 -0.02 0.00 1.08 0.00 0.00 64.86 64.49 1rf2 h ILE 5 Cb 1.23 1.43 -0.01 0.00 -1.09 0.00 0.00 36.82 38.39 1rf2 h ILE 5 CO 0.30 0.36 0.06 0.74 -1.08 0.00 0.00 178.15 178.53 1rf2 h THR 6 N 0.25 1.20 -0.56 2.19 2.02 -1.99 0.10 112.91 116.12 1rf2 h THR 6 Ca 0.04 -0.63 -0.08 0.00 0.77 0.00 0.00 66.41 66.51 1rf2 h THR 6 Cb 0.61 1.20 -0.02 0.00 -1.74 0.00 0.00 68.15 68.20 1rf2 h THR 6 CO 0.04 0.20 0.04 0.44 0.37 0.00 0.00 175.52 176.62 1rf2 h ASP 7 N 0.18 0.90 -0.15 4.18 3.32 -1.93 -1.84 116.42 121.08 1rf2 h ASP 7 Ca 0.07 -0.22 -0.02 0.00 0.02 0.00 0.00 57.03 56.88 1rf2 h ASP 7 Cb 0.25 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 1rf2 h ASP 7 CO -0.00 0.93 0.03 0.25 -1.72 0.00 0.00 179.24 178.73 1rf2 h LEU 8 N 0.87 0.24 -1.20 1.55 6.46 -1.15 -2.99 115.31 119.09 1rf2 h LEU 8 Ca 0.17 -0.25 0.07 0.00 -0.12 0.00 0.00 57.88 57.75 1rf2 h LEU 8 Cb 0.45 -0.06 -0.06 0.00 -0.73 0.00 0.00 40.66 40.26 1rf2 h LEU 8 CO 0.02 0.43 0.56 0.00 -0.62 0.00 0.00 178.44 178.83 1rf2 n ALA 10 N -2.41 1.57 0.77 0.00 0.00 -0.71 -2.54 120.51 117.20 1rf2 n ALA 10 Ca 0.13 0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.71 1rf2 n ALA 10 Cb 0.23 -1.27 0.50 0.00 0.00 0.00 0.00 19.45 18.90 1rf2 n ALA 10 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1rf2 n GLU 11 N -1.80 0.05 -4.44 0.00 1.02 -0.63 -4.85 120.64 109.99 1rf2 n GLU 11 Ca 0.02 0.13 -0.30 0.00 -0.02 0.00 0.00 57.16 56.99 1rf2 n GLU 11 Cb 0.17 -1.56 -0.12 0.00 -0.02 0.00 0.00 31.44 29.90 1rf2 n GLU 11 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1rf2 s TYR 12 N -3.03 2.48 0.56 -0.32 1.51 -1.05 -5.13 117.35 112.36 1rf2 s TYR 12 Ca 0.11 -0.30 -0.14 0.00 -1.01 0.00 0.00 57.07 55.73 1rf2 s TYR 12 Cb 0.15 -1.35 -0.06 0.00 -0.11 0.00 0.00 41.96 40.58 1rf2 s TYR 12 CO 0.45 0.33 1.00 -1.01 -1.11 0.00 0.00 175.55 175.22 1rf2 s HIS 13 N -1.06 3.53 -1.56 2.71 3.76 -1.26 -4.15 115.29 117.27 1rf2 s HIS 13 Ca 0.16 1.38 0.00 0.00 -0.15 0.00 0.00 55.06 56.45 1rf2 s HIS 13 Cb -0.10 -2.76 0.00 0.00 1.11 0.00 0.00 32.58 30.83 1rf2 s HIS 13 CO 0.08 -0.51 0.00 0.09 -0.85 0.00 0.00 174.74 173.55 1rf2 n ASN 14 N -2.10 -5.27 -4.62 1.40 3.02 -1.26 -4.96 115.26 101.47 1rf2 n ASN 14 Ca 0.06 -0.01 -0.23 0.00 -0.03 0.00 0.00 54.58 54.37 1rf2 n ASN 14 Cb 0.54 -4.34 -0.08 0.00 -0.61 0.00 0.00 39.78 35.29 1rf2 n ASN 14 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1rf2 s THR 15 N -2.90 3.32 0.09 3.41 -4.23 -1.26 -0.91 115.64 113.16 1rf2 s THR 15 Ca 0.00 -1.96 -0.15 0.00 -1.18 0.00 0.00 61.69 58.40 1rf2 s THR 15 Cb 0.00 -2.76 0.03 0.00 1.34 0.00 0.00 72.50 71.10 1rf2 s THR 15 CO 0.00 -0.37 0.35 0.00 -0.54 0.00 0.00 174.62 174.07 1rf2 s GLN 16 N -3.61 0.97 -0.13 3.99 -2.07 -0.33 -4.90 119.66 113.58 1rf2 s GLN 16 Ca 0.31 -0.67 -0.16 0.00 -1.82 0.00 0.00 55.36 53.02 1rf2 s GLN 16 Cb -0.06 0.42 -0.05 0.00 -1.09 0.00 0.00 33.01 32.23 1rf2 s GLN 16 CO 0.19 -0.35 0.38 0.42 -1.32 0.00 0.00 175.29 174.61 1rf2 s ILE 17 N -3.43 5.23 -0.21 3.63 -1.09 -1.26 -1.14 121.20 122.93 1rf2 s ILE 17 Ca 0.01 0.75 -0.07 0.00 -2.23 0.00 0.00 60.65 59.10 1rf2 s ILE 17 Cb 0.02 -3.72 -0.04 0.00 -1.58 0.00 0.00 42.46 37.14 1rf2 s ILE 17 CO -0.09 0.38 0.06 -1.00 -1.23 0.00 0.00 174.94 173.06 1rf2 s HIS 18 N 0.40 3.16 -0.36 3.97 3.76 0.03 -4.99 115.29 121.27 1rf2 s HIS 18 Ca 0.21 -0.16 -0.13 0.00 -0.15 0.00 0.00 55.06 54.83 1rf2 s HIS 18 Cb -0.14 -2.15 -0.00 0.00 1.11 0.00 0.00 32.58 31.39 1rf2 s HIS 18 CO 0.07 -0.09 0.25 0.99 -0.85 0.00 0.00 174.74 175.11 1rf2 s THR 19 N 0.97 5.17 -0.23 1.30 2.01 -1.26 -1.07 115.64 122.53 1rf2 s THR 19 Ca 0.04 -0.39 -0.05 0.00 0.31 0.00 0.00 61.69 61.59 1rf2 s THR 19 Cb -0.14 -3.72 -0.12 0.00 0.01 0.00 0.00 72.50 68.52 1rf2 s THR 19 CO 0.03 -0.10 -0.25 0.18 -0.69 0.00 0.00 174.62 173.79 1rf2 n LEU 20 N 5.10 2.29 -4.08 4.42 7.99 0.07 -5.01 117.00 127.79 1rf2 n LEU 20 Ca -0.12 0.09 -0.37 0.00 -0.01 0.00 0.00 56.01 55.60 1rf2 n LEU 20 Cb 0.49 -0.72 -0.02 0.00 -0.11 0.00 0.00 43.42 43.05 1rf2 n LEU 20 CO 0.38 0.67 -0.25 0.59 -1.51 0.00 0.00 177.39 177.26 1rf2 n ASN 21 N -3.61 -2.28 -3.48 -1.43 3.02 -0.02 -4.95 115.26 102.51 1rf2 n ASN 21 Ca -0.43 -1.22 -0.13 0.00 -0.03 0.00 0.00 54.58 52.78 1rf2 n ASN 21 Cb 0.87 -2.06 -0.03 0.00 -0.61 0.00 0.00 39.78 37.94 1rf2 n ASN 21 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1rf2 s ASP 22 N -3.89 -0.53 0.73 6.41 2.15 -0.64 -4.91 116.67 116.00 1rf2 s ASP 22 Ca 0.28 0.24 -0.11 0.00 0.43 0.00 0.00 52.55 53.39 1rf2 s ASP 22 Cb -0.14 0.51 0.03 0.00 -0.30 0.00 0.00 42.92 43.02 1rf2 s ASP 22 CO 0.96 -0.73 1.08 -1.59 -0.17 0.00 0.00 175.17 174.71 1rf2 s LYS 23 N -2.65 2.55 0.12 4.34 -2.85 -1.26 -0.82 119.74 119.18 1rf2 s LYS 23 Ca -0.02 1.11 -0.31 0.00 -1.00 0.00 0.00 55.97 55.76 1rf2 s LYS 23 Cb -0.01 -1.94 -0.08 0.00 -2.06 0.00 0.00 37.83 33.75 1rf2 s LYS 23 CO -0.04 -1.41 1.31 0.42 0.10 0.00 0.00 175.35 175.73 1rf2 s ILE 24 N -2.91 3.48 0.00 3.79 1.01 -1.26 -4.67 121.20 120.64 1rf2 s ILE 24 Ca 0.60 1.10 -0.09 0.00 0.00 0.00 0.00 60.65 62.27 1rf2 s ILE 24 Cb -0.16 -3.71 -0.31 0.00 0.01 0.00 0.00 42.46 38.29 1rf2 s ILE 24 CO 0.54 0.11 0.86 0.15 0.00 0.00 0.00 174.94 176.60 1rf2 h PHE 25 N 6.38 0.68 -3.61 3.97 3.57 -1.05 -3.47 116.94 123.40 1rf2 h PHE 25 Ca -0.43 -0.49 -0.14 0.00 3.53 0.00 0.00 57.97 60.44 1rf2 h PHE 25 Cb 1.21 -0.03 -0.20 0.00 2.79 0.00 0.00 35.95 39.72 1rf2 h PHE 25 CO 0.65 1.51 -0.52 -1.54 -2.23 0.00 0.00 178.31 176.18 1rf2 s SER 26 N -7.25 0.08 -0.06 0.41 1.04 -0.98 -4.97 113.70 101.96 1rf2 s SER 26 Ca -0.11 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.03 1rf2 s SER 26 Cb 0.06 0.19 0.02 0.00 0.10 0.00 0.00 66.02 66.39 1rf2 s SER 26 CO 0.88 -0.38 -0.05 -0.47 0.98 0.00 0.00 173.24 174.20 1rf2 s TYR 27 N -1.58 0.91 -0.02 5.02 5.04 -1.26 -1.90 117.35 123.54 1rf2 s TYR 27 Ca -0.14 -0.30 0.04 0.00 -2.44 0.00 0.00 57.07 54.23 1rf2 s TYR 27 Cb -0.07 -0.81 -0.00 0.00 0.35 0.00 0.00 41.96 41.42 1rf2 s TYR 27 CO 0.00 -0.27 -0.13 0.99 -1.34 0.00 0.00 175.55 174.80 1rf2 s THR 28 N 1.23 1.08 0.00 4.34 2.01 0.21 -5.01 115.64 119.49 1rf2 s THR 28 Ca -0.06 -0.55 -0.02 0.00 0.31 0.00 0.00 61.69 61.37 1rf2 s THR 28 Cb -0.14 -0.92 -0.01 0.00 0.01 0.00 0.00 72.50 71.44 1rf2 s THR 28 CO -0.02 0.31 0.04 -1.83 -0.69 0.00 0.00 174.62 172.43 1rf2 s GLU 29 N -0.05 0.26 -0.00 4.92 -1.05 -1.26 -0.75 118.70 120.77 1rf2 s GLU 29 Ca -0.00 -0.32 0.04 0.00 -0.15 0.00 0.00 54.97 54.54 1rf2 s GLU 29 Cb -0.08 0.10 -0.01 0.00 -0.44 0.00 0.00 34.13 33.70 1rf2 s GLU 29 CO 0.01 -0.05 -0.13 0.45 0.95 0.00 0.00 175.26 176.48 1rf2 s SER 30 N -0.92 1.54 0.00 0.83 0.15 -0.56 -5.01 113.70 109.74 1rf2 s SER 30 Ca -0.10 -0.27 0.10 0.00 0.70 0.00 0.00 55.95 56.39 1rf2 s SER 30 Cb -0.06 -0.16 0.23 0.00 -1.71 0.00 0.00 66.02 64.32 1rf2 s SER 30 CO -0.00 0.14 1.12 0.00 1.20 0.00 0.00 173.24 175.70 1rf2 n LEU 31 N 2.63 2.57 -4.77 3.45 -0.00 -1.26 -2.83 117.00 116.80 1rf2 n LEU 31 Ca -0.15 -1.69 -0.40 0.00 -0.00 0.00 0.00 56.01 53.78 1rf2 n LEU 31 Cb 0.55 -0.15 -0.01 0.00 -0.00 0.00 0.00 43.42 43.82 1rf2 n LEU 31 CO 0.24 0.61 0.97 0.00 -0.00 0.00 0.00 177.39 179.22 1rf2 s ALA 32 N -0.96 3.30 0.18 1.47 0.00 -1.26 -4.81 121.76 119.67 1rf2 s ALA 32 Ca 0.19 1.26 -0.33 0.00 0.00 0.00 0.00 51.96 53.08 1rf2 s ALA 32 Cb 0.11 -3.50 -0.13 0.00 0.00 0.00 0.00 23.12 19.61 1rf2 s ALA 32 CO 0.14 -0.83 1.69 0.41 0.00 0.00 0.00 175.76 177.17 1rf2 n GLY 33 N 0.67 1.41 3.10 0.00 0.00 -1.26 -1.01 105.19 108.10 1rf2 n GLY 33 Ca 0.03 0.64 0.00 0.00 0.00 0.00 0.00 46.02 46.69 1rf2 n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1rf2 n LYS 34 N 3.92 -0.46 -2.56 1.61 4.76 -1.26 -4.82 118.16 119.35 1rf2 n LYS 34 Ca 0.17 0.12 -0.10 0.00 -2.87 0.00 0.00 58.31 55.62 1rf2 n LYS 34 Cb 0.33 -3.78 0.03 0.00 -1.84 0.00 0.00 35.03 29.77 1rf2 n LYS 34 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1rf2 n ARG 35 N -1.51 2.31 -2.61 1.97 5.12 -0.18 -4.96 116.66 116.80 1rf2 n ARG 35 Ca 0.00 -3.74 -0.41 0.00 -1.93 0.00 0.00 57.85 51.77 1rf2 n ARG 35 Cb 0.12 -1.79 -0.03 0.00 -1.16 0.00 0.00 32.46 29.59 1rf2 n ARG 35 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1rf2 s GLU 36 N -3.63 3.54 0.24 5.56 8.01 -1.13 -4.29 118.70 127.01 1rf2 s GLU 36 Ca 0.35 -1.10 -0.14 0.00 0.01 0.00 0.00 54.97 54.09 1rf2 s GLU 36 Cb 0.37 -5.16 0.00 0.00 -4.31 0.00 0.00 34.13 25.03 1rf2 s GLU 36 CO -0.02 -2.14 0.51 0.00 0.01 0.00 0.00 175.26 173.62 1rf2 s MET 37 N 4.76 1.54 0.09 1.61 0.23 -1.13 -4.14 119.30 122.27 1rf2 s MET 37 Ca 0.43 -1.16 0.08 0.00 -1.03 0.00 0.00 55.69 54.00 1rf2 s MET 37 Cb -0.02 0.49 -0.03 0.00 -1.53 0.00 0.00 34.83 33.74 1rf2 s MET 37 CO -0.07 -0.65 -0.20 0.00 -2.03 0.00 0.00 175.02 172.07 1rf2 s ALA 38 N -3.98 1.69 -0.04 3.16 0.00 -1.17 -1.49 121.76 119.92 1rf2 s ALA 38 Ca 0.19 -1.19 0.02 0.00 0.00 0.00 0.00 51.96 50.98 1rf2 s ALA 38 Cb -0.01 -0.23 0.01 0.00 0.00 0.00 0.00 23.12 22.89 1rf2 s ALA 38 CO 0.07 0.33 -0.10 0.42 0.00 0.00 0.00 175.76 176.47 1rf2 s ILE 39 N -1.16 0.94 0.18 0.00 1.01 0.07 -1.06 121.20 121.19 1rf2 s ILE 39 Ca 0.05 -0.41 0.11 0.00 0.00 0.00 0.00 60.65 60.40 1rf2 s ILE 39 Cb -0.10 -0.85 -0.04 0.00 0.01 0.00 0.00 42.46 41.47 1rf2 s ILE 39 CO 0.04 0.30 -0.24 0.27 0.00 0.00 0.00 174.94 175.31 1rf2 s ILE 40 N 0.41 2.30 0.19 2.92 -4.36 0.08 -0.62 121.20 122.12 1rf2 s ILE 40 Ca -0.08 -1.99 0.04 0.00 -0.26 0.00 0.00 60.65 58.36 1rf2 s ILE 40 Cb -0.12 -2.09 -0.05 0.00 1.25 0.00 0.00 42.46 41.45 1rf2 s ILE 40 CO 0.02 -0.11 -0.04 0.42 0.24 0.00 0.00 174.94 175.47 1rf2 s THR 41 N -1.62 1.05 0.34 8.37 -4.23 -0.80 -1.31 115.64 117.44 1rf2 s THR 41 Ca 0.20 -2.04 0.09 0.00 -1.18 0.00 0.00 61.69 58.75 1rf2 s THR 41 Cb -0.08 -2.13 -0.05 0.00 1.34 0.00 0.00 72.50 71.58 1rf2 s THR 41 CO 0.09 -0.50 0.06 -0.36 -0.54 0.00 0.00 174.62 173.37 1rf2 s PHE 42 N -3.41 2.62 0.37 3.99 0.08 -0.66 -0.42 117.98 120.56 1rf2 s PHE 42 Ca 0.23 -0.41 0.07 0.00 0.12 0.00 0.00 56.93 56.95 1rf2 s PHE 42 Cb 0.04 -1.54 0.79 0.00 -0.57 0.00 0.00 43.02 41.74 1rf2 s PHE 42 CO 0.05 0.43 1.94 1.57 -0.10 0.00 0.00 175.22 179.11 1rf2 h LYS 43 N 1.70 0.69 0.00 0.44 2.10 -1.90 0.18 116.57 119.78 1rf2 h LYS 43 Ca -0.43 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 1rf2 h LYS 43 Cb 1.25 -0.15 0.00 0.00 -0.90 0.00 0.00 32.23 32.43 1rf2 h LYS 43 CO 0.65 0.45 0.00 0.27 -2.00 0.00 0.00 179.45 178.82 1rf2 n ASN 44 N -4.49 0.17 0.00 7.07 0.23 -1.26 -4.88 115.26 112.10 1rf2 n ASN 44 Ca 0.12 0.56 0.00 0.00 -0.53 0.00 0.00 54.58 54.73 1rf2 n ASN 44 Cb 0.29 -0.59 0.00 0.00 -2.08 0.00 0.00 39.78 37.40 1rf2 n ASN 44 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1rf2 n GLY 45 N -0.79 2.82 3.68 4.83 0.00 0.05 -5.07 105.19 110.71 1rf2 n GLY 45 Ca 0.01 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.59 1rf2 n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rf2 n ALA 46 N -1.32 1.33 -2.54 4.61 0.00 -1.25 -4.66 120.51 116.67 1rf2 n ALA 46 Ca 0.00 0.41 -0.29 0.00 0.00 0.00 0.00 53.44 53.56 1rf2 n ALA 46 Cb 0.00 -2.31 -0.16 0.00 0.00 0.00 0.00 19.45 16.98 1rf2 n ALA 46 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1rf2 s THR 47 N 0.12 1.84 0.04 0.00 2.01 -1.26 -1.65 115.64 116.74 1rf2 s THR 47 Ca 0.70 -0.97 0.01 0.00 0.31 0.00 0.00 61.69 61.73 1rf2 s THR 47 Cb -0.64 -1.54 -0.03 0.00 0.01 0.00 0.00 72.50 70.31 1rf2 s THR 47 CO 0.47 0.52 -0.05 -0.36 -0.69 0.00 0.00 174.62 174.51 1rf2 s PHE 48 N -0.36 0.51 0.19 4.92 0.08 -0.43 -4.03 117.98 118.86 1rf2 s PHE 48 Ca 0.04 -0.63 0.11 0.00 0.12 0.00 0.00 56.93 56.57 1rf2 s PHE 48 Cb -0.11 -0.33 -0.04 0.00 -0.57 0.00 0.00 43.02 41.97 1rf2 s PHE 48 CO 0.01 -0.17 -0.22 1.14 -0.10 0.00 0.00 175.22 175.87 1rf2 s GLN 49 N -2.05 1.45 -0.32 0.44 -2.07 -0.38 -0.74 119.66 116.00 1rf2 s GLN 49 Ca -0.08 -1.49 -0.12 0.00 -1.82 0.00 0.00 55.36 51.84 1rf2 s GLN 49 Cb -0.06 -1.71 -0.03 0.00 -1.09 0.00 0.00 33.01 30.12 1rf2 s GLN 49 CO -0.02 0.36 0.22 0.08 -1.32 0.00 0.00 175.29 174.61 1rf2 s VAL 50 N -1.77 5.29 0.66 3.63 1.01 -0.23 -0.62 120.40 128.38 1rf2 s VAL 50 Ca 0.19 -0.06 -0.17 0.00 0.00 0.00 0.00 61.98 61.94 1rf2 s VAL 50 Cb -0.07 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.67 1rf2 s VAL 50 CO 0.09 0.10 1.22 -1.61 0.00 0.00 0.00 175.10 174.90 1rf2 s GLU 51 N 1.74 2.53 0.28 2.72 2.02 -1.26 -3.05 118.70 123.68 1rf2 s GLU 51 Ca 0.06 1.83 -0.30 0.00 0.02 0.00 0.00 54.97 56.58 1rf2 s GLU 51 Cb -0.17 -1.87 -0.12 0.00 0.10 0.00 0.00 34.13 32.07 1rf2 s GLU 51 CO 0.11 -1.55 1.57 0.28 0.02 0.00 0.00 175.26 175.68 1rf2 n VAL 52 N -2.17 0.97 -1.81 2.63 0.31 -1.26 -4.88 118.33 112.12 1rf2 n VAL 52 Ca 0.14 -0.24 -0.42 0.00 -0.01 0.00 0.00 64.34 63.81 1rf2 n VAL 52 Cb 0.50 -1.88 -0.03 0.00 -0.91 0.00 0.00 33.84 31.52 1rf2 n VAL 52 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1rf2 s PRO 53 N -0.42 4.15 0.00 5.55 0.02 -1.26 -4.95 135.00 138.09 1rf2 s PRO 53 Ca 0.65 2.52 0.00 0.00 0.02 0.00 0.00 61.00 64.19 1rf2 s PRO 53 Cb -0.52 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 30.92 1rf2 s PRO 53 CO 0.48 -0.67 0.00 0.41 -0.33 0.00 0.00 177.00 176.89 1rf2 n GLY 54 N 3.37 3.17 0.11 0.52 0.00 -1.26 -5.04 105.19 106.06 1rf2 n GLY 54 Ca 0.13 -1.37 0.11 0.00 0.00 0.00 0.00 46.02 44.88 1rf2 n GLY 54 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1rf2 n SER 55 N -2.10 0.56 0.06 1.61 3.41 -1.26 -1.45 113.62 114.45 1rf2 n SER 55 Ca 0.00 0.64 0.11 0.00 -0.26 0.00 0.00 58.87 59.37 1rf2 n SER 55 Cb 0.00 -0.76 0.45 0.00 -0.26 0.00 0.00 64.21 63.64 1rf2 n SER 55 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rf2 n GLN 56 N -2.13 0.11 -3.78 4.33 0.00 -1.26 -4.79 117.38 109.87 1rf2 n GLN 56 Ca 0.02 0.23 -0.37 0.00 0.00 0.00 0.00 57.00 56.89 1rf2 n GLN 56 Cb 0.21 -1.67 -0.06 0.00 0.00 0.00 0.00 30.24 28.72 1rf2 n GLN 56 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 1rf2 s HIS 57 N -3.11 3.57 0.55 2.61 3.76 -0.53 -5.10 115.29 117.05 1rf2 s HIS 57 Ca 0.09 0.55 -0.07 0.00 -0.15 0.00 0.00 55.06 55.48 1rf2 s HIS 57 Cb 0.12 -2.06 -0.03 0.00 1.11 0.00 0.00 32.58 31.73 1rf2 s HIS 57 CO 0.43 0.60 0.90 0.96 -0.85 0.00 0.00 174.74 176.78 1rf2 s ILE 58 N -0.65 4.57 0.24 0.60 -4.36 -1.26 -4.91 121.20 115.43 1rf2 s ILE 58 Ca 0.15 0.39 -0.04 0.00 -0.26 0.00 0.00 60.65 60.89 1rf2 s ILE 58 Cb -0.12 -3.78 0.21 0.00 1.25 0.00 0.00 42.46 40.01 1rf2 s ILE 58 CO 0.04 -0.87 1.77 0.44 0.24 0.00 0.00 174.94 176.57 1rf2 h ASP 59 N -0.06 0.50 0.25 4.36 3.32 -1.98 -0.14 116.42 122.67 1rf2 h ASP 59 Ca -0.46 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 56.66 1rf2 h ASP 59 Cb 1.21 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.75 1rf2 h ASP 59 CO 0.62 0.25 -0.04 0.77 -1.72 0.00 0.00 179.24 179.11 1rf2 h SER 60 N 0.62 0.00 1.21 6.45 4.64 -2.04 -1.77 113.55 122.66 1rf2 h SER 60 Ca 0.40 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.71 1rf2 h SER 60 Cb 0.49 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1rf2 h SER 60 CO -0.31 0.04 -0.07 1.56 -0.87 0.00 0.00 176.83 177.18 1rf2 h GLN 61 N 0.00 0.00 -0.13 4.77 4.20 -1.39 -3.35 115.11 119.21 1rf2 h GLN 61 Ca -0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 1rf2 h GLN 61 Cb 0.18 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 1rf2 h GLN 61 CO 0.01 0.07 0.08 0.87 -0.67 0.00 0.00 178.83 179.19 1rf2 h LYS 62 N 0.00 0.18 -0.44 1.46 1.79 -1.37 0.44 116.57 118.64 1rf2 h LYS 62 Ca -0.00 -0.02 -0.05 0.00 -2.18 0.00 0.00 60.65 58.40 1rf2 h LYS 62 Cb 0.70 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.29 1rf2 h LYS 62 CO 0.01 0.16 0.04 1.57 -1.08 0.00 0.00 179.45 180.15 1rf2 h LYS 63 N 0.15 0.68 -0.08 3.15 2.10 -1.75 -2.65 116.57 118.17 1rf2 h LYS 63 Ca 0.05 -0.15 -0.15 0.00 -2.00 0.00 0.00 60.65 58.40 1rf2 h LYS 63 Cb 0.02 -0.10 -0.01 0.00 -0.90 0.00 0.00 32.23 31.25 1rf2 h LYS 63 CO -0.01 0.67 -0.59 0.00 -2.00 0.00 0.00 179.45 177.52 1rf2 h ALA 64 N 1.40 0.85 -0.40 0.07 0.00 -1.47 -1.14 119.26 118.56 1rf2 h ALA 64 Ca 0.14 -0.54 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 1rf2 h ALA 64 Cb 0.34 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1rf2 h ALA 64 CO 0.01 0.72 0.14 0.82 0.00 0.00 0.00 179.25 180.93 1rf2 h ILE 65 N 0.19 1.21 -0.58 0.00 2.04 -0.61 -0.45 117.51 119.32 1rf2 h ILE 65 Ca -0.00 -0.68 -0.01 0.00 1.00 0.00 0.00 64.86 65.17 1rf2 h ILE 65 Cb 1.10 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 38.05 1rf2 h ILE 65 CO 0.09 0.24 0.33 -0.33 0.00 0.00 0.00 178.15 178.49 1rf2 h GLU 66 N 0.50 0.79 -0.72 2.37 4.39 -1.29 -2.28 114.58 118.35 1rf2 h GLU 66 Ca 0.13 -0.08 0.03 0.00 0.34 0.00 0.00 59.36 59.78 1rf2 h GLU 66 Cb 0.24 -0.16 -0.05 0.00 -0.10 0.00 0.00 28.75 28.68 1rf2 h GLU 66 CO -0.01 0.58 0.45 -0.09 -1.16 0.00 0.00 179.01 178.78 1rf2 h ARG 67 N 0.78 0.84 -0.93 2.33 2.43 -0.97 -2.17 114.38 116.68 1rf2 h ARG 67 Ca 0.21 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.31 1rf2 h ARG 67 Cb 0.01 -0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 29.32 1rf2 h ARG 67 CO -0.04 0.56 0.54 1.98 -1.51 0.00 0.00 179.97 181.50 1rf2 h MET 68 N 0.87 1.28 -0.56 0.20 4.05 -0.72 0.16 114.93 120.22 1rf2 h MET 68 Ca 0.29 -0.13 -0.10 0.00 -0.28 0.00 0.00 59.70 59.48 1rf2 h MET 68 Cb 0.03 -0.26 -0.02 0.00 -0.80 0.00 0.00 31.60 30.55 1rf2 h MET 68 CO -0.12 0.91 -0.05 0.87 0.23 0.00 0.00 176.91 178.76 1rf2 h LYS 69 N 1.29 1.00 -0.44 0.39 1.57 -1.20 0.28 116.57 119.46 1rf2 h LYS 69 Ca 0.33 -0.33 0.04 0.00 -1.87 0.00 0.00 60.65 58.83 1rf2 h LYS 69 Cb -0.02 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.16 1rf2 h LYS 69 CO -0.06 1.01 0.20 -0.44 -0.57 0.00 0.00 179.45 179.58 1rf2 h ASP 70 N 0.90 0.26 -0.43 0.86 3.32 -0.69 -2.25 116.42 118.40 1rf2 h ASP 70 Ca 0.15 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 1rf2 h ASP 70 Cb 0.59 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.11 1rf2 h ASP 70 CO 0.04 0.19 0.21 0.74 -1.72 0.00 0.00 179.24 178.70 1rf2 h THR 71 N 0.40 1.17 -0.78 0.35 2.02 -0.43 -2.09 112.91 113.55 1rf2 h THR 71 Ca 0.19 -0.49 -0.04 0.00 0.77 0.00 0.00 66.41 66.85 1rf2 h THR 71 Cb 0.13 0.70 -0.03 0.00 -1.74 0.00 0.00 68.15 67.21 1rf2 h THR 71 CO -0.16 0.19 0.32 -0.07 0.37 0.00 0.00 175.52 176.17 1rf2 h LEU 72 N 0.56 1.06 0.07 2.58 3.38 -0.86 0.32 115.31 122.43 1rf2 h LEU 72 Ca 0.15 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1rf2 h LEU 72 Cb 0.11 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.58 1rf2 h LEU 72 CO -0.02 0.94 -0.04 -0.09 0.09 0.00 0.00 178.44 179.32 1rf2 h ARG 73 N 1.12 -0.10 -0.42 1.13 2.43 -1.23 -0.20 114.38 117.12 1rf2 h ARG 73 Ca 0.26 0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.33 1rf2 h ARG 73 Cb 0.20 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 1rf2 h ARG 73 CO -0.02 0.07 -0.17 0.97 -1.51 0.00 0.00 179.97 179.31 1rf2 h ILE 74 N -0.25 1.27 -0.52 1.20 6.09 -1.30 -1.14 117.51 122.87 1rf2 h ILE 74 Ca -0.01 -1.26 0.03 0.00 -1.37 0.00 0.00 64.86 62.25 1rf2 h ILE 74 Cb 0.21 1.12 -0.04 0.00 0.47 0.00 0.00 36.82 38.59 1rf2 h ILE 74 CO 0.02 0.43 0.29 0.00 -3.07 0.00 0.00 178.15 175.81 1rf2 h ALA 75 N 1.11 0.66 0.03 0.18 0.00 -0.85 -0.57 119.26 119.82 1rf2 h ALA 75 Ca 0.11 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.04 1rf2 h ALA 75 Cb 0.67 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1rf2 h ALA 75 CO 0.05 -0.03 -0.13 -0.92 0.00 0.00 0.00 179.25 178.22 1rf2 h TYR 76 N 0.57 -0.33 0.00 0.00 3.20 -0.69 -1.65 116.97 118.06 1rf2 h TYR 76 Ca 0.22 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.03 1rf2 h TYR 76 Cb 0.07 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.48 1rf2 h TYR 76 CO -0.08 -0.20 -0.29 -0.07 -1.64 0.00 0.00 178.16 175.88 1rf2 h LEU 77 N -0.23 0.00 -1.16 2.82 3.38 -0.97 -2.36 115.31 116.79 1rf2 h LEU 77 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1rf2 h LEU 77 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1rf2 h LEU 77 CO -0.11 0.29 0.00 0.35 0.09 0.00 0.00 178.44 179.07 1rf2 n THR 78 N -4.12 0.02 -2.98 0.22 -2.24 -0.24 -4.94 114.28 100.00 1rf2 n THR 78 Ca -0.02 -0.31 -0.21 0.00 -2.27 0.00 0.00 64.05 61.25 1rf2 n THR 78 Cb 0.35 0.67 0.01 0.00 -2.10 0.00 0.00 70.33 69.25 1rf2 n THR 78 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1rf2 n GLU 79 N 0.40 -3.66 -2.09 -0.78 1.02 -0.70 -4.93 120.64 109.91 1rf2 n GLU 79 Ca 0.18 0.73 -0.42 0.00 -0.02 0.00 0.00 57.16 57.63 1rf2 n GLU 79 Cb 0.40 -5.48 -0.03 0.00 -0.02 0.00 0.00 31.44 26.31 1rf2 n GLU 79 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1rf2 s ALA 80 N -2.99 3.63 0.06 0.62 0.00 -0.75 -4.75 121.76 117.58 1rf2 s ALA 80 Ca 0.26 1.22 -0.31 0.00 0.00 0.00 0.00 51.96 53.13 1rf2 s ALA 80 Cb -0.12 -3.55 -0.08 0.00 0.00 0.00 0.00 23.12 19.36 1rf2 s ALA 80 CO 0.32 -0.67 1.63 0.21 0.00 0.00 0.00 175.76 177.25 1rf2 s LYS 81 N 0.61 4.21 -0.14 0.00 2.20 -1.26 -4.31 119.74 121.04 1rf2 s LYS 81 Ca 0.64 2.29 -0.24 0.00 -0.36 0.00 0.00 55.97 58.30 1rf2 s LYS 81 Cb -0.40 -3.60 -0.02 0.00 -1.51 0.00 0.00 37.83 32.30 1rf2 s LYS 81 CO 0.34 -0.72 0.76 0.08 -0.36 0.00 0.00 175.35 175.45 1rf2 s VAL 82 N 2.63 4.96 -0.05 4.02 1.01 -0.00 -3.43 120.40 129.53 1rf2 s VAL 82 Ca 0.73 1.50 -0.01 0.00 0.00 0.00 0.00 61.98 64.20 1rf2 s VAL 82 Cb -0.39 -4.07 -0.00 0.00 0.00 0.00 0.00 36.38 31.91 1rf2 s VAL 82 CO 0.32 0.11 -0.01 -0.08 0.00 0.00 0.00 175.10 175.43 1rf2 h GLU 83 N 7.19 0.00 -4.58 2.72 4.81 -1.12 0.25 114.58 123.86 1rf2 h GLU 83 Ca -0.33 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 58.64 1rf2 h GLU 83 Cb 1.15 0.00 -0.19 0.00 0.63 0.00 0.00 28.75 30.34 1rf2 h GLU 83 CO 0.80 0.00 -0.72 0.15 -0.73 0.00 0.00 179.01 178.50 1rf2 s LYS 84 N -1.33 0.60 -0.05 1.92 1.02 -1.11 -0.75 119.74 120.05 1rf2 s LYS 84 Ca -0.01 -0.91 0.06 0.00 0.02 0.00 0.00 55.97 55.13 1rf2 s LYS 84 Cb 0.00 -0.26 -0.02 0.00 -0.52 0.00 0.00 37.83 37.04 1rf2 s LYS 84 CO 0.02 0.03 -0.23 -0.51 -0.92 0.00 0.00 175.35 173.74 1rf2 s LEU 85 N -1.97 2.21 -0.22 3.17 1.43 -0.23 -1.10 118.68 121.98 1rf2 s LEU 85 Ca -0.04 -0.44 -0.14 0.00 -1.03 0.00 0.00 54.13 52.48 1rf2 s LEU 85 Cb -0.06 -1.41 -0.04 0.00 0.03 0.00 0.00 46.19 44.71 1rf2 s LEU 85 CO -0.01 0.28 0.30 0.00 0.23 0.00 0.00 176.35 177.14 1rf2 s VAL 87 N 1.19 0.78 -0.13 0.00 -7.23 -0.30 -0.28 120.40 114.45 1rf2 s VAL 87 Ca 0.14 -1.41 -0.24 0.00 -1.81 0.00 0.00 61.98 58.65 1rf2 s VAL 87 Cb -0.14 -1.07 -0.02 0.00 0.56 0.00 0.00 36.38 35.70 1rf2 s VAL 87 CO 0.06 -0.48 0.76 0.26 -0.31 0.00 0.00 175.10 175.40 1rf2 s TRP 88 N -2.01 3.48 -2.15 2.82 0.51 0.69 -1.18 118.94 121.10 1rf2 s TRP 88 Ca -0.01 1.23 0.23 0.00 -2.12 0.00 0.00 56.10 55.43 1rf2 s TRP 88 Cb -0.06 -2.91 0.59 0.00 -0.81 0.00 0.00 33.47 30.28 1rf2 s TRP 88 CO -0.00 -0.10 1.51 0.27 -0.51 0.00 0.00 176.95 178.12 1rf2 n ASN 89 N 4.61 3.84 -0.96 2.95 0.23 -0.09 -1.61 115.26 124.23 1rf2 n ASN 89 Ca 0.02 -2.00 0.05 0.00 -0.53 0.00 0.00 54.58 52.11 1rf2 n ASN 89 Cb 0.50 -0.43 0.19 0.00 -2.08 0.00 0.00 39.78 37.96 1rf2 n ASN 89 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1rf2 n ASN 90 N 1.63 2.73 -4.22 0.53 6.94 -1.26 -4.87 115.26 116.74 1rf2 n ASN 90 Ca 0.23 -2.24 -0.16 0.00 -0.02 0.00 0.00 54.58 52.39 1rf2 n ASN 90 Cb 0.62 -0.43 -0.11 0.00 -2.36 0.00 0.00 39.78 37.51 1rf2 n ASN 90 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1rf2 s LYS 91 N -1.70 0.97 -0.07 -3.83 -0.14 -1.25 -5.10 119.74 108.61 1rf2 s LYS 91 Ca 0.27 -1.24 0.01 0.00 -1.36 0.00 0.00 55.97 53.64 1rf2 s LYS 91 Cb 0.17 -0.73 0.02 0.00 -1.68 0.00 0.00 37.83 35.61 1rf2 s LYS 91 CO 0.13 0.13 -0.07 0.99 -0.76 0.00 0.00 175.35 175.77 1rf2 s THR 92 N -2.41 0.79 0.91 2.17 2.01 -1.26 -2.74 115.64 115.10 1rf2 s THR 92 Ca 0.09 -0.22 -0.12 0.00 0.31 0.00 0.00 61.69 61.75 1rf2 s THR 92 Cb -0.03 -0.80 0.07 0.00 0.01 0.00 0.00 72.50 71.75 1rf2 s THR 92 CO 0.02 0.30 0.69 -2.65 -0.69 0.00 0.00 174.62 172.29 1rf2 n PRO 93 N 4.37 -0.25 -1.65 4.92 -0.02 -1.26 -5.06 135.00 136.05 1rf2 n PRO 93 Ca -0.19 -0.02 -0.40 0.00 -2.02 0.00 0.00 63.50 60.88 1rf2 n PRO 93 Cb 0.51 -2.05 0.03 0.00 -0.02 0.00 0.00 33.50 31.96 1rf2 n PRO 93 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1rf2 n HIS 94 N -3.65 1.46 -3.70 6.00 8.25 -1.11 -4.47 115.22 117.99 1rf2 n HIS 94 Ca 0.09 0.49 -0.36 0.00 -0.26 0.00 0.00 57.72 57.68 1rf2 n HIS 94 Cb 0.53 -2.26 -0.09 0.00 1.12 0.00 0.00 29.99 29.29 1rf2 n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1rf2 s ALA 95 N -1.33 3.61 0.01 -1.41 0.00 -0.63 -1.24 121.76 120.76 1rf2 s ALA 95 Ca 0.67 -0.83 -0.30 0.00 0.00 0.00 0.00 51.96 51.50 1rf2 s ALA 95 Cb -0.48 -2.25 -0.05 0.00 0.00 0.00 0.00 23.12 20.33 1rf2 s ALA 95 CO 0.53 -0.08 1.29 0.42 0.00 0.00 0.00 175.76 177.92 1rf2 s ILE 96 N 0.83 3.92 -0.20 0.00 1.01 0.21 -0.22 121.20 126.74 1rf2 s ILE 96 Ca 0.07 1.32 0.09 0.00 0.00 0.00 0.00 60.65 62.14 1rf2 s ILE 96 Cb -0.13 -3.85 -0.19 0.00 0.01 0.00 0.00 42.46 38.31 1rf2 s ILE 96 CO 0.02 0.04 -0.06 0.00 0.00 0.00 0.00 174.94 174.94 1rf2 n ALA 97 N 4.79 1.53 -3.41 9.38 0.00 0.62 -4.84 120.51 128.58 1rf2 n ALA 97 Ca 0.11 -1.10 -0.14 0.00 0.00 0.00 0.00 53.44 52.31 1rf2 n ALA 97 Cb 0.45 -0.09 -0.04 0.00 0.00 0.00 0.00 19.45 19.77 1rf2 n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rf2 s ALA 98 N -2.45 -1.56 0.01 0.00 0.00 -0.93 -4.98 121.76 111.86 1rf2 s ALA 98 Ca -0.19 0.72 0.02 0.00 0.00 0.00 0.00 51.96 52.51 1rf2 s ALA 98 Cb 0.07 0.52 -0.01 0.00 0.00 0.00 0.00 23.12 23.70 1rf2 s ALA 98 CO 0.64 -0.59 -0.08 -1.50 0.00 0.00 0.00 175.76 174.23 1rf2 s ILE 99 N -2.75 0.59 -0.02 0.00 2.07 -1.26 -1.02 121.20 118.81 1rf2 s ILE 99 Ca -0.04 -0.57 0.06 0.00 -1.41 0.00 0.00 60.65 58.70 1rf2 s ILE 99 Cb -0.01 -0.54 -0.01 0.00 0.13 0.00 0.00 42.46 42.03 1rf2 s ILE 99 CO -0.04 -0.01 -0.20 -0.94 -1.91 0.00 0.00 174.94 171.84 1rf2 s SER 100 N -0.64 2.36 -0.06 4.50 1.04 -0.25 -5.00 113.70 115.64 1rf2 s SER 100 Ca -0.01 -0.37 0.05 0.00 0.48 0.00 0.00 55.95 56.11 1rf2 s SER 100 Cb -0.05 -0.29 -0.01 0.00 0.10 0.00 0.00 66.02 65.78 1rf2 s SER 100 CO 0.00 0.24 -0.22 -0.04 0.98 0.00 0.00 173.24 174.20 1rf2 s MET 101 N -0.45 2.44 -0.09 4.02 -1.94 -1.26 -0.63 119.30 121.39 1rf2 s MET 101 Ca 0.07 -0.80 -0.21 0.00 -1.71 0.00 0.00 55.69 53.04 1rf2 s MET 101 Cb -0.08 -2.01 0.05 0.00 2.01 0.00 0.00 34.83 34.80 1rf2 s MET 101 CO -0.01 0.28 0.50 0.00 -0.01 0.00 0.00 175.02 175.78 1rf2 s ALA 102 N 0.05 -1.26 -2.00 3.03 0.00 -1.22 -4.86 121.76 115.50 1rf2 s ALA 102 Ca -0.08 1.02 0.09 0.00 0.00 0.00 0.00 51.96 53.00 1rf2 s ALA 102 Cb -0.14 -0.26 0.56 0.00 0.00 0.00 0.00 23.12 23.28 1rf2 s ALA 102 CO 0.05 -0.29 1.01 0.27 0.00 0.00 0.00 175.76 176.80