#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 1.15 0.00 -2.82 -0.02 -1.26 -4.93 135.00 127.12 1rf2 n PRO 2 Ca 0.00 0.44 0.10 0.00 -2.02 0.00 0.00 63.50 62.02 1rf2 n PRO 2 Cb 0.00 -2.33 -0.03 0.00 -0.02 0.00 0.00 33.50 31.12 1rf2 n PRO 2 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1rf2 n GLN 3 N -1.13 1.03 -3.80 -0.52 6.02 -1.26 -4.97 117.38 112.74 1rf2 n GLN 3 Ca 0.13 -0.71 -0.07 0.00 -0.01 0.00 0.00 57.00 56.34 1rf2 n GLN 3 Cb 0.46 -1.45 -0.02 0.00 1.02 0.00 0.00 30.24 30.25 1rf2 n GLN 3 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1rf2 s ASN 4 N -2.53 -0.28 0.38 1.08 2.20 -1.26 -5.05 114.94 109.48 1rf2 s ASN 4 Ca 0.15 -0.52 0.10 0.00 -0.94 0.00 0.00 52.86 51.65 1rf2 s ASN 4 Cb 0.17 0.69 0.77 0.00 -2.00 0.00 0.00 41.25 40.87 1rf2 s ASN 4 CO 0.62 -1.26 1.89 -0.29 -2.94 0.00 0.00 177.10 175.13 1rf2 h ILE 5 N 2.00 1.19 -0.26 0.54 2.10 -1.96 -2.04 117.51 119.09 1rf2 h ILE 5 Ca -0.21 -0.88 -0.08 0.00 1.08 0.00 0.00 64.86 64.77 1rf2 h ILE 5 Cb 1.25 1.31 -0.01 0.00 -1.09 0.00 0.00 36.82 38.29 1rf2 h ILE 5 CO 0.25 0.27 -0.15 0.74 -1.08 0.00 0.00 178.15 178.17 1rf2 h THR 6 N 0.18 1.30 -0.38 2.19 2.02 -1.99 0.31 112.91 116.55 1rf2 h THR 6 Ca 0.03 -1.26 -0.10 0.00 0.77 0.00 0.00 66.41 65.86 1rf2 h THR 6 Cb 0.44 1.55 -0.02 0.00 -1.74 0.00 0.00 68.15 68.38 1rf2 h THR 6 CO 0.03 0.39 -0.17 0.44 0.37 0.00 0.00 175.52 176.58 1rf2 h ASP 7 N 0.30 0.71 -0.26 4.18 3.32 -1.95 -2.27 116.42 120.44 1rf2 h ASP 7 Ca 0.06 -0.23 -0.03 0.00 0.02 0.00 0.00 57.03 56.85 1rf2 h ASP 7 Cb 0.67 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 1rf2 h ASP 7 CO 0.04 0.88 0.05 0.25 -1.72 0.00 0.00 179.24 178.75 1rf2 h LEU 8 N 0.63 0.41 -1.30 1.55 6.46 -1.23 -3.06 115.31 118.77 1rf2 h LEU 8 Ca 0.10 -0.25 0.01 0.00 -0.12 0.00 0.00 57.88 57.63 1rf2 h LEU 8 Cb 0.64 -0.11 -0.04 0.00 -0.73 0.00 0.00 40.66 40.42 1rf2 h LEU 8 CO 0.05 0.55 0.48 0.00 -0.62 0.00 0.00 178.44 178.89 1rf2 h ALA 10 N 1.56 1.00 0.00 0.00 0.00 -1.30 -2.50 119.26 118.01 1rf2 h ALA 10 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1rf2 h ALA 10 Cb -0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1rf2 h ALA 10 CO -0.06 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.58 1rf2 n GLU 11 N -2.48 0.49 -4.64 0.00 1.02 -0.72 -4.85 120.64 109.45 1rf2 n GLU 11 Ca 0.00 0.03 -0.28 0.00 -0.02 0.00 0.00 57.16 56.90 1rf2 n GLU 11 Cb 0.17 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 29.95 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 -2.43 2.10 0.55 -0.32 1.51 -0.94 -5.12 117.35 112.70 1rf2 s TYR 12 Ca 0.28 -0.40 -0.18 0.00 -1.01 0.00 0.00 57.07 55.76 1rf2 s TYR 12 Cb 0.18 -1.22 -0.05 0.00 -0.11 0.00 0.00 41.96 40.76 1rf2 s TYR 12 CO 0.37 0.17 1.09 -1.01 -1.11 0.00 0.00 175.55 175.06 1rf2 s HIS 13 N -0.90 2.79 -1.47 2.71 3.76 -1.26 -4.09 115.29 116.82 1rf2 s HIS 13 Ca 0.10 1.55 -0.04 0.00 -0.15 0.00 0.00 55.06 56.52 1rf2 s HIS 13 Cb -0.10 -3.17 0.00 0.00 1.11 0.00 0.00 32.58 30.42 1rf2 s HIS 13 CO 0.03 -1.34 0.59 0.09 -0.85 0.00 0.00 174.74 173.27 1rf2 n ASN 14 N -1.49 -5.92 -4.54 1.40 5.03 -1.26 -4.94 115.26 103.54 1rf2 n ASN 14 Ca 0.10 -0.28 -0.24 0.00 0.87 0.00 0.00 54.58 55.03 1rf2 n ASN 14 Cb 0.52 -4.73 -0.09 0.00 -1.02 0.00 0.00 39.78 34.45 1rf2 n ASN 14 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1rf2 s THR 15 N -3.15 2.59 0.12 3.41 -4.23 -1.26 -0.76 115.64 112.35 1rf2 s THR 15 Ca 0.29 -2.20 -0.17 0.00 -1.18 0.00 0.00 61.69 58.43 1rf2 s THR 15 Cb -0.13 -2.56 0.04 0.00 1.34 0.00 0.00 72.50 71.19 1rf2 s THR 15 CO 0.36 -0.31 0.41 0.00 -0.54 0.00 0.00 174.62 174.55 1rf2 s GLN 16 N -3.60 1.08 -0.08 3.99 -2.07 -0.50 -4.89 119.66 113.58 1rf2 s GLN 16 Ca 0.32 -0.68 -0.16 0.00 -1.82 0.00 0.00 55.36 53.02 1rf2 s GLN 16 Cb -0.02 0.48 -0.05 0.00 -1.09 0.00 0.00 33.01 32.32 1rf2 s GLN 16 CO 0.17 -0.42 0.43 0.42 -1.32 0.00 0.00 175.29 174.56 1rf2 s ILE 17 N -3.75 5.15 -0.16 3.63 -1.09 -1.26 -1.28 121.20 122.44 1rf2 s ILE 17 Ca 0.02 0.86 -0.05 0.00 -2.23 0.00 0.00 60.65 59.26 1rf2 s ILE 17 Cb 0.02 -3.76 -0.03 0.00 -1.58 0.00 0.00 42.46 37.11 1rf2 s ILE 17 CO -0.12 0.42 -0.01 -1.00 -1.23 0.00 0.00 174.94 173.00 1rf2 s HIS 18 N 0.04 3.08 -0.31 3.97 3.76 -0.14 -4.99 115.29 120.68 1rf2 s HIS 18 Ca 0.24 -0.21 -0.11 0.00 -0.15 0.00 0.00 55.06 54.82 1rf2 s HIS 18 Cb -0.15 -1.98 -0.02 0.00 1.11 0.00 0.00 32.58 31.53 1rf2 s HIS 18 CO 0.10 0.01 0.20 0.99 -0.85 0.00 0.00 174.74 175.20 1rf2 s THR 19 N 0.35 5.11 -0.27 1.30 2.01 -1.26 -1.19 115.64 121.68 1rf2 s THR 19 Ca -0.03 -0.15 -0.14 0.00 0.31 0.00 0.00 61.69 61.69 1rf2 s THR 19 Cb -0.14 -3.56 -0.12 0.00 0.01 0.00 0.00 72.50 68.69 1rf2 s THR 19 CO 0.02 0.09 -0.35 0.18 -0.69 0.00 0.00 174.62 173.87 1rf2 n LEU 20 N 5.06 1.92 -4.16 4.42 7.99 0.14 -5.01 117.00 127.37 1rf2 n LEU 20 Ca -0.13 0.33 -0.29 0.00 -0.01 0.00 0.00 56.01 55.91 1rf2 n LEU 20 Cb 0.50 -0.81 -0.06 0.00 -0.11 0.00 0.00 43.42 42.95 1rf2 n LEU 20 CO 0.35 0.57 -0.34 0.59 -1.51 0.00 0.00 177.39 177.05 1rf2 n ASN 21 N -4.23 0.08 -3.62 -1.43 3.02 0.30 -4.95 115.26 104.42 1rf2 n ASN 21 Ca -0.54 -1.14 -0.12 0.00 -0.03 0.00 0.00 54.58 52.74 1rf2 n ASN 21 Cb 0.88 -2.30 -0.05 0.00 -0.61 0.00 0.00 39.78 37.69 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 -4.28 -0.33 0.77 6.41 2.15 -0.74 -4.90 116.67 115.74 1rf2 s ASP 22 Ca 0.07 -0.02 -0.11 0.00 0.43 0.00 0.00 52.55 52.92 1rf2 s ASP 22 Cb -0.04 0.46 0.05 0.00 -0.30 0.00 0.00 42.92 43.10 1rf2 s ASP 22 CO 0.95 -0.74 1.09 -1.59 -0.17 0.00 0.00 175.17 174.71 1rf2 s LYS 23 N -2.84 2.32 0.12 4.34 -2.85 -1.26 -0.81 119.74 118.76 1rf2 s LYS 23 Ca -0.03 1.13 -0.31 0.00 -1.00 0.00 0.00 55.97 55.76 1rf2 s LYS 23 Cb -0.00 -1.91 -0.07 0.00 -2.06 0.00 0.00 37.83 33.79 1rf2 s LYS 23 CO -0.05 -1.59 1.27 0.42 0.10 0.00 0.00 175.35 175.51 1rf2 s ILE 24 N -2.93 3.61 -0.03 3.79 1.01 -1.26 -4.70 121.20 120.70 1rf2 s ILE 24 Ca 0.61 1.21 -0.16 0.00 0.00 0.00 0.00 60.65 62.31 1rf2 s ILE 24 Cb -0.17 -3.77 -0.32 0.00 0.01 0.00 0.00 42.46 38.21 1rf2 s ILE 24 CO 0.56 0.12 0.82 0.15 0.00 0.00 0.00 174.94 176.59 1rf2 h PHE 25 N 6.33 0.74 -3.78 3.97 3.57 -1.06 -3.48 116.94 123.24 1rf2 h PHE 25 Ca -0.43 -0.54 -0.16 0.00 3.53 0.00 0.00 57.97 60.37 1rf2 h PHE 25 Cb 1.21 -0.03 -0.21 0.00 2.79 0.00 0.00 35.95 39.71 1rf2 h PHE 25 CO 0.65 1.54 -0.62 -1.54 -2.23 0.00 0.00 178.31 176.11 1rf2 s SER 26 N -7.30 0.14 -0.08 0.41 1.04 -0.98 -4.98 113.70 101.95 1rf2 s SER 26 Ca -0.14 -0.35 0.01 0.00 0.48 0.00 0.00 55.95 55.96 1rf2 s SER 26 Cb 0.04 0.14 0.02 0.00 0.10 0.00 0.00 66.02 66.32 1rf2 s SER 26 CO 0.87 -0.31 -0.11 -0.47 0.98 0.00 0.00 173.24 174.21 1rf2 s TYR 27 N -1.32 1.44 -0.03 5.02 5.04 -1.26 -1.89 117.35 124.35 1rf2 s TYR 27 Ca -0.14 -0.59 0.04 0.00 -2.44 0.00 0.00 57.07 53.94 1rf2 s TYR 27 Cb -0.08 -1.10 -0.00 0.00 0.35 0.00 0.00 41.96 41.12 1rf2 s TYR 27 CO 0.00 -0.35 -0.15 0.99 -1.34 0.00 0.00 175.55 174.70 1rf2 s THR 28 N 0.99 1.26 0.03 4.34 2.01 0.04 -5.00 115.64 119.32 1rf2 s THR 28 Ca -0.08 -0.63 0.01 0.00 0.31 0.00 0.00 61.69 61.29 1rf2 s THR 28 Cb -0.15 -1.09 -0.02 0.00 0.01 0.00 0.00 72.50 71.25 1rf2 s THR 28 CO -0.00 0.37 -0.06 -1.83 -0.69 0.00 0.00 174.62 172.41 1rf2 s GLU 29 N 0.01 0.43 -0.01 4.92 -1.05 -1.26 -0.96 118.70 120.78 1rf2 s GLU 29 Ca -0.02 -0.69 0.03 0.00 -0.15 0.00 0.00 54.97 54.14 1rf2 s GLU 29 Cb -0.10 -0.10 -0.01 0.00 -0.44 0.00 0.00 34.13 33.48 1rf2 s GLU 29 CO 0.01 0.00 -0.11 0.45 0.95 0.00 0.00 175.26 176.57 1rf2 s SER 30 N -1.54 1.31 0.00 0.83 0.15 -0.67 -5.01 113.70 108.77 1rf2 s SER 30 Ca -0.13 -0.20 0.13 0.00 0.70 0.00 0.00 55.95 56.45 1rf2 s SER 30 Cb -0.10 -0.18 0.34 0.00 -1.71 0.00 0.00 66.02 64.37 1rf2 s SER 30 CO -0.00 0.13 1.26 0.00 1.20 0.00 0.00 173.24 175.82 1rf2 n LEU 31 N 2.88 3.00 -4.77 3.45 -0.00 -1.26 -3.15 117.00 117.15 1rf2 n LEU 31 Ca -0.14 -1.87 -0.38 0.00 -0.00 0.00 0.00 56.01 53.62 1rf2 n LEU 31 Cb 0.56 -0.24 -0.01 0.00 -0.00 0.00 0.00 43.42 43.72 1rf2 n LEU 31 CO 0.25 0.73 0.84 0.00 -0.00 0.00 0.00 177.39 179.21 1rf2 s ALA 32 N -1.02 3.08 0.16 1.47 0.00 -1.26 -4.83 121.76 119.36 1rf2 s ALA 32 Ca 0.27 0.97 -0.31 0.00 0.00 0.00 0.00 51.96 52.88 1rf2 s ALA 32 Cb 0.14 -3.39 -0.10 0.00 0.00 0.00 0.00 23.12 19.77 1rf2 s ALA 32 CO 0.19 -0.61 1.64 0.20 0.00 0.00 0.00 175.76 177.18 1rf2 s GLY 33 N -1.20 1.46 0.00 0.00 0.00 -1.26 -1.09 107.32 105.23 1rf2 s GLY 33 Ca 0.60 1.40 0.00 0.00 0.00 0.00 0.00 44.72 46.72 1rf2 s GLY 33 CO 0.38 2.78 0.00 0.28 0.00 0.00 0.00 173.10 176.53 1rf2 n LYS 34 N 4.40 -0.18 -2.48 2.90 4.76 -1.26 -4.83 118.16 121.48 1rf2 n LYS 34 Ca 0.15 0.04 -0.11 0.00 -2.87 0.00 0.00 58.31 55.53 1rf2 n LYS 34 Cb 0.38 -3.22 0.04 0.00 -1.84 0.00 0.00 35.03 30.39 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 -1.96 2.56 -2.55 1.97 5.12 -0.25 -4.96 116.66 116.59 1rf2 n ARG 35 Ca 0.00 -3.80 -0.41 0.00 -1.93 0.00 0.00 57.85 51.71 1rf2 n ARG 35 Cb 0.04 -1.90 -0.02 0.00 -1.16 0.00 0.00 32.46 29.42 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 -3.71 3.64 0.24 5.56 8.01 -1.16 -4.30 118.70 126.98 1rf2 s GLU 36 Ca 0.38 -1.29 -0.11 0.00 0.01 0.00 0.00 54.97 53.95 1rf2 s GLU 36 Cb 0.36 -5.39 -0.01 0.00 -4.31 0.00 0.00 34.13 24.78 1rf2 s GLU 36 CO -0.01 -2.27 0.44 0.00 0.01 0.00 0.00 175.26 173.43 1rf2 s MET 37 N 4.88 1.52 0.13 1.61 0.23 -1.19 -4.21 119.30 122.27 1rf2 s MET 37 Ca 0.49 -1.31 0.08 0.00 -1.03 0.00 0.00 55.69 53.91 1rf2 s MET 37 Cb 0.01 0.45 -0.04 0.00 -1.53 0.00 0.00 34.83 33.71 1rf2 s MET 37 CO -0.06 -0.62 -0.19 0.00 -2.03 0.00 0.00 175.02 172.12 1rf2 s ALA 38 N -4.01 1.86 -0.03 3.16 0.00 -1.20 -1.67 121.76 119.88 1rf2 s ALA 38 Ca 0.25 -1.34 0.01 0.00 0.00 0.00 0.00 51.96 50.88 1rf2 s ALA 38 Cb 0.00 -0.21 0.01 0.00 0.00 0.00 0.00 23.12 22.93 1rf2 s ALA 38 CO 0.10 0.29 -0.05 0.42 0.00 0.00 0.00 175.76 176.52 1rf2 s ILE 39 N -1.58 0.47 0.14 0.00 1.01 -0.13 -1.05 121.20 120.04 1rf2 s ILE 39 Ca 0.10 -0.15 0.10 0.00 0.00 0.00 0.00 60.65 60.70 1rf2 s ILE 39 Cb -0.08 -0.46 -0.04 0.00 0.01 0.00 0.00 42.46 41.89 1rf2 s ILE 39 CO 0.05 0.18 -0.23 0.27 0.00 0.00 0.00 174.94 175.21 1rf2 s ILE 40 N 0.50 1.98 0.18 2.92 -4.36 0.19 -0.78 121.20 121.84 1rf2 s ILE 40 Ca -0.06 -1.75 0.05 0.00 -0.26 0.00 0.00 60.65 58.63 1rf2 s ILE 40 Cb -0.10 -1.82 -0.05 0.00 1.25 0.00 0.00 42.46 41.75 1rf2 s ILE 40 CO -0.00 -0.07 -0.08 0.42 0.24 0.00 0.00 174.94 175.45 1rf2 s THR 41 N -1.38 1.21 0.30 8.37 -4.23 -0.79 -0.90 115.64 118.22 1rf2 s THR 41 Ca 0.12 -2.07 0.09 0.00 -1.18 0.00 0.00 61.69 58.65 1rf2 s THR 41 Cb -0.09 -2.04 -0.05 0.00 1.34 0.00 0.00 72.50 71.67 1rf2 s THR 41 CO 0.06 -0.59 0.01 -0.36 -0.54 0.00 0.00 174.62 173.20 1rf2 s PHE 42 N -3.30 2.63 0.60 3.99 0.40 -0.39 -0.43 117.98 121.47 1rf2 s PHE 42 Ca 0.21 -0.32 0.31 0.00 -0.60 0.00 0.00 56.93 56.53 1rf2 s PHE 42 Cb 0.03 -1.34 1.80 0.00 0.51 0.00 0.00 43.02 44.03 1rf2 s PHE 42 CO 0.04 0.54 2.19 -0.22 0.70 0.00 0.00 175.22 178.47 1rf2 h LYS 43 N 1.83 0.00 0.00 0.44 1.63 -1.90 0.24 116.57 118.82 1rf2 h LYS 43 Ca -0.43 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.37 1rf2 h LYS 43 Cb 1.25 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.88 1rf2 h LYS 43 CO 0.63 0.00 0.00 0.27 -3.45 0.00 0.00 179.45 176.90 1rf2 n ASN 44 N -3.74 0.00 0.00 4.20 0.23 -1.26 -4.88 115.26 109.81 1rf2 n ASN 44 Ca -0.01 -1.15 0.00 0.00 -0.53 0.00 0.00 54.58 52.89 1rf2 n ASN 44 Cb 0.19 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.89 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 0.76 1.35 3.75 4.83 0.00 0.07 -5.04 105.19 110.90 1rf2 n GLY 45 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1rf2 n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rf2 s ALA 46 N -2.32 3.72 -0.04 4.61 0.00 -1.25 -4.75 121.76 121.73 1rf2 s ALA 46 Ca 0.00 1.48 0.04 0.00 0.00 0.00 0.00 51.96 53.48 1rf2 s ALA 46 Cb 0.00 -3.62 -0.00 0.00 0.00 0.00 0.00 23.12 19.50 1rf2 s ALA 46 CO 0.00 -0.89 -0.14 0.99 0.00 0.00 0.00 175.76 175.72 1rf2 s THR 47 N 0.11 1.19 0.04 0.00 2.01 -1.26 -1.27 115.64 116.46 1rf2 s THR 47 Ca 0.63 -0.58 0.01 0.00 0.31 0.00 0.00 61.69 62.06 1rf2 s THR 47 Cb -0.46 -1.04 -0.02 0.00 0.01 0.00 0.00 72.50 70.99 1rf2 s THR 47 CO 0.45 0.35 -0.06 -0.36 -0.69 0.00 0.00 174.62 174.31 1rf2 s PHE 48 N 0.12 0.52 0.16 4.92 0.08 -0.08 -4.02 117.98 119.68 1rf2 s PHE 48 Ca -0.04 -0.54 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 41.98 1rf2 s PHE 48 CO 0.02 -0.14 -0.22 1.14 -0.10 0.00 0.00 175.22 175.92 1rf2 s GLN 49 N -1.69 1.59 -0.32 0.44 -2.07 -0.61 -0.64 119.66 116.36 1rf2 s GLN 49 Ca -0.11 -1.38 -0.15 0.00 -1.82 0.00 0.00 55.36 51.91 1rf2 s GLN 49 Cb -0.09 -1.95 -0.02 0.00 -1.09 0.00 0.00 33.01 29.86 1rf2 s GLN 49 CO -0.01 0.43 0.34 0.08 -1.32 0.00 0.00 175.29 174.82 1rf2 s VAL 50 N -1.39 5.19 0.59 3.63 1.01 -0.22 -0.73 120.40 128.48 1rf2 s VAL 50 Ca 0.19 0.15 -0.19 0.00 0.00 0.00 0.00 61.98 62.13 1rf2 s VAL 50 Cb -0.09 -3.76 -0.03 0.00 0.00 0.00 0.00 36.38 32.50 1rf2 s VAL 50 CO 0.09 0.00 1.22 -1.61 0.00 0.00 0.00 175.10 174.81 1rf2 s GLU 51 N 1.98 2.95 0.24 2.72 2.02 -1.26 -3.22 118.70 124.13 1rf2 s GLU 51 Ca 0.12 1.86 -0.31 0.00 0.02 0.00 0.00 54.97 56.65 1rf2 s GLU 51 Cb -0.16 -1.94 -0.13 0.00 0.10 0.00 0.00 34.13 32.00 1rf2 s GLU 51 CO 0.11 -1.23 1.52 0.28 0.02 0.00 0.00 175.26 175.96 1rf2 n VAL 52 N -1.59 0.73 -1.72 2.63 0.31 -1.26 -4.88 118.33 112.55 1rf2 n VAL 52 Ca 0.14 -0.18 -0.43 0.00 -0.01 0.00 0.00 64.34 63.86 1rf2 n VAL 52 Cb 0.49 -1.68 -0.02 0.00 -0.91 0.00 0.00 33.84 31.73 1rf2 n VAL 52 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1rf2 n PRO 53 N 2.47 2.54 -1.04 5.55 -0.02 -1.26 -4.95 135.00 138.29 1rf2 n PRO 53 Ca 0.12 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.50 1rf2 n PRO 53 Cb 0.33 -2.66 0.00 0.00 -0.02 0.00 0.00 33.50 31.15 1rf2 n PRO 53 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rf2 n GLY 54 N 2.29 2.68 0.20 -1.23 0.00 -1.26 -5.03 105.19 102.84 1rf2 n GLY 54 Ca 0.10 -1.13 0.14 0.00 0.00 0.00 0.00 46.02 45.13 1rf2 n GLY 54 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1rf2 h SER 55 N 0.00 0.00 0.73 1.61 0.87 -2.02 -1.39 113.55 113.35 1rf2 h SER 55 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1rf2 h SER 55 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1rf2 h SER 55 CO 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.30 1rf2 n GLN 56 N -2.51 0.09 -4.50 2.24 0.00 -1.26 -4.79 117.38 106.65 1rf2 n GLN 56 Ca -0.00 0.08 -0.34 0.00 0.00 0.00 0.00 57.00 56.73 1rf2 n GLN 56 Cb 0.14 -1.50 -0.11 0.00 0.00 0.00 0.00 30.24 28.77 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 -2.89 3.00 0.67 2.61 3.76 -0.53 -5.12 115.29 116.80 1rf2 s HIS 57 Ca 0.15 -0.12 -0.11 0.00 -0.15 0.00 0.00 55.06 54.83 1rf2 s HIS 57 Cb 0.16 -1.83 -0.00 0.00 1.11 0.00 0.00 32.58 32.01 1rf2 s HIS 57 CO 0.42 0.17 1.06 0.96 -0.85 0.00 0.00 174.74 176.50 1rf2 s ILE 58 N -0.26 3.83 0.29 0.60 -4.36 -1.26 -4.87 121.20 115.16 1rf2 s ILE 58 Ca 0.04 0.53 0.02 0.00 -0.26 0.00 0.00 60.65 60.98 1rf2 s ILE 58 Cb -0.13 -3.58 0.29 0.00 1.25 0.00 0.00 42.46 40.29 1rf2 s ILE 58 CO 0.02 -0.74 1.84 0.44 0.24 0.00 0.00 174.94 176.74 1rf2 h ASP 59 N -0.51 0.91 0.43 4.36 3.32 -2.00 -0.56 116.42 122.37 1rf2 h ASP 59 Ca -0.45 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 56.63 1rf2 h ASP 59 Cb 1.24 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.65 1rf2 h ASP 59 CO 0.63 0.49 -0.09 0.77 -1.72 0.00 0.00 179.24 179.32 1rf2 h SER 60 N 0.98 0.00 1.37 6.45 4.64 -2.04 -1.68 113.55 123.26 1rf2 h SER 60 Ca 0.49 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.73 1rf2 h SER 60 Cb 0.49 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.57 1rf2 h SER 60 CO -0.25 0.09 -0.36 1.56 -0.87 0.00 0.00 176.83 176.99 1rf2 h GLN 61 N 0.00 0.00 -0.27 4.77 4.20 -1.46 -3.35 115.11 119.00 1rf2 h GLN 61 Ca -0.00 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.74 1rf2 h GLN 61 Cb 0.32 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.07 1rf2 h GLN 61 CO 0.01 0.36 0.06 0.87 -0.67 0.00 0.00 178.83 179.46 1rf2 h LYS 62 N 0.00 0.16 -0.52 1.46 1.57 -1.30 0.20 116.57 118.14 1rf2 h LYS 62 Ca -0.00 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.69 1rf2 h LYS 62 Cb 1.14 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.40 1rf2 h LYS 62 CO 0.05 0.11 0.03 0.87 -0.57 0.00 0.00 179.45 179.93 1rf2 h LYS 63 N 0.16 0.86 -0.14 3.15 1.57 -1.73 -2.73 116.57 117.72 1rf2 h LYS 63 Ca 0.12 -0.23 -0.08 0.00 -1.87 0.00 0.00 60.65 58.59 1rf2 h LYS 63 Cb 0.12 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1rf2 h LYS 63 CO -0.15 0.84 -0.29 0.00 -0.57 0.00 0.00 179.45 179.28 1rf2 h ALA 64 N 1.22 1.25 -0.50 3.86 0.00 -1.51 -1.38 119.26 122.21 1rf2 h ALA 64 Ca 0.16 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1rf2 h ALA 64 Cb 0.44 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1rf2 h ALA 64 CO 0.02 0.50 0.20 0.82 0.00 0.00 0.00 179.25 180.79 1rf2 h ILE 65 N 0.24 1.21 -0.67 0.00 2.04 -0.68 -0.96 117.51 118.69 1rf2 h ILE 65 Ca 0.04 -0.65 -0.07 0.00 1.00 0.00 0.00 64.86 65.17 1rf2 h ILE 65 Cb 0.63 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.39 1rf2 h ILE 65 CO 0.05 0.25 0.15 -0.33 0.00 0.00 0.00 178.15 178.26 1rf2 h GLU 66 N 0.67 1.09 -0.64 2.37 4.39 -1.24 -2.42 114.58 118.81 1rf2 h GLU 66 Ca 0.17 -0.27 -0.02 0.00 0.34 0.00 0.00 59.36 59.57 1rf2 h GLU 66 Cb 0.19 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.68 1rf2 h GLU 66 CO -0.01 0.98 0.32 -0.09 -1.16 0.00 0.00 179.01 179.05 1rf2 h ARG 67 N 1.02 0.91 -0.77 2.33 2.43 -1.03 -2.31 114.38 116.96 1rf2 h ARG 67 Ca 0.21 -0.13 -0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1rf2 h ARG 67 Cb 0.39 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 29.74 1rf2 h ARG 67 CO 0.01 0.72 0.48 1.98 -1.51 0.00 0.00 179.97 181.64 1rf2 h MET 68 N 0.88 1.03 -0.64 0.20 4.05 -0.85 0.10 114.93 119.70 1rf2 h MET 68 Ca 0.22 -0.08 -0.06 0.00 -0.28 0.00 0.00 59.70 59.49 1rf2 h MET 68 Cb 0.09 -0.22 -0.03 0.00 -0.80 0.00 0.00 31.60 30.65 1rf2 h MET 68 CO -0.03 0.72 0.14 0.87 0.23 0.00 0.00 176.91 178.84 1rf2 h LYS 69 N 1.05 1.01 -0.39 0.39 1.57 -1.26 0.51 116.57 119.45 1rf2 h LYS 69 Ca 0.28 -0.24 0.01 0.00 -1.87 0.00 0.00 60.65 58.83 1rf2 h LYS 69 Cb -0.06 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.09 1rf2 h LYS 69 CO -0.05 0.91 0.25 -0.44 -0.57 0.00 0.00 179.45 179.54 1rf2 h ASP 70 N 0.96 0.42 -0.49 0.86 3.32 -0.79 -1.86 116.42 118.83 1rf2 h ASP 70 Ca 0.20 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.22 1rf2 h ASP 70 Cb 0.36 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 1rf2 h ASP 70 CO 0.00 0.30 0.21 0.74 -1.72 0.00 0.00 179.24 178.78 1rf2 h THR 71 N 0.51 1.21 -0.66 0.35 2.02 -0.19 -2.07 112.91 114.07 1rf2 h THR 71 Ca 0.15 -0.62 -0.08 0.00 0.77 0.00 0.00 66.41 66.63 1rf2 h THR 71 Cb -0.04 0.70 -0.03 0.00 -1.74 0.00 0.00 68.15 67.04 1rf2 h THR 71 CO -0.05 0.24 0.10 -0.07 0.37 0.00 0.00 175.52 176.11 1rf2 h LEU 72 N 0.66 1.06 -0.37 2.58 3.38 -0.78 -0.25 115.31 121.59 1rf2 h LEU 72 Ca 0.17 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 1rf2 h LEU 72 Cb 0.17 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1rf2 h LEU 72 CO -0.02 1.06 0.16 -0.09 0.09 0.00 0.00 178.44 179.64 1rf2 h ARG 73 N 1.02 0.54 -0.02 1.13 2.43 -1.17 -0.33 114.38 117.98 1rf2 h ARG 73 Ca 0.20 -0.09 -0.17 0.00 -0.81 0.00 0.00 59.98 59.11 1rf2 h ARG 73 Cb 0.45 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 1rf2 h ARG 73 CO 0.01 0.50 -0.77 0.97 -1.51 0.00 0.00 179.97 179.18 1rf2 h ILE 74 N 0.45 1.46 -0.53 1.20 6.09 -1.23 -1.29 117.51 123.67 1rf2 h ILE 74 Ca 0.12 -2.40 -0.00 0.00 -1.37 0.00 0.00 64.86 61.21 1rf2 h ILE 74 Cb 0.15 2.30 -0.03 0.00 0.47 0.00 0.00 36.82 39.72 1rf2 h ILE 74 CO -0.01 0.70 0.32 0.00 -3.07 0.00 0.00 178.15 176.08 1rf2 h ALA 75 N 1.09 0.68 0.09 0.18 0.00 -0.94 -0.26 119.26 120.09 1rf2 h ALA 75 Ca -0.03 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.82 1rf2 h ALA 75 Cb 1.35 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1rf2 h ALA 75 CO 0.11 0.16 -0.13 -0.92 0.00 0.00 0.00 179.25 178.48 1rf2 h TYR 76 N 0.71 -0.34 0.00 0.00 3.20 -0.79 -1.39 116.97 118.36 1rf2 h TYR 76 Ca 0.19 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.00 1rf2 h TYR 76 Cb -0.01 0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 1rf2 h TYR 76 CO -0.02 -0.20 -0.32 -0.07 -1.64 0.00 0.00 178.16 175.91 1rf2 h LEU 77 N -0.27 0.00 -1.27 2.82 3.38 -0.97 -2.47 115.31 116.55 1rf2 h LEU 77 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 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 -0.07 0.32 -0.04 0.35 0.09 0.00 0.00 178.44 179.09 1rf2 n THR 78 N -3.98 0.00 -2.27 0.22 -2.24 -0.13 -4.94 114.28 100.93 1rf2 n THR 78 Ca -0.02 -0.33 -0.19 0.00 -2.27 0.00 0.00 64.05 61.24 1rf2 n THR 78 Cb 0.38 0.87 -0.02 0.00 -2.10 0.00 0.00 70.33 69.46 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 0.51 -1.51 -1.98 -0.78 1.02 -0.61 -4.94 120.64 112.35 1rf2 n GLU 79 Ca 0.16 0.96 -0.41 0.00 -0.02 0.00 0.00 57.16 57.85 1rf2 n GLU 79 Cb 0.44 -5.50 -0.02 0.00 -0.02 0.00 0.00 31.44 26.35 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 -2.93 3.60 -0.07 0.62 0.00 -0.72 -4.73 121.76 117.53 1rf2 s ALA 80 Ca 0.00 1.37 -0.30 0.00 0.00 0.00 0.00 51.96 53.04 1rf2 s ALA 80 Cb 0.00 -3.55 -0.03 0.00 0.00 0.00 0.00 23.12 19.53 1rf2 s ALA 80 CO 0.00 -0.79 1.23 0.21 0.00 0.00 0.00 175.76 176.41 1rf2 s LYS 81 N -1.01 4.32 -0.14 0.00 2.20 -1.26 -4.26 119.74 119.59 1rf2 s LYS 81 Ca 0.56 1.69 -0.23 0.00 -0.36 0.00 0.00 55.97 57.63 1rf2 s LYS 81 Cb -0.43 -3.60 -0.02 0.00 -1.51 0.00 0.00 37.83 32.27 1rf2 s LYS 81 CO 0.49 -0.51 0.73 0.08 -0.36 0.00 0.00 175.35 175.79 1rf2 s VAL 82 N 2.48 4.97 -0.00 4.02 1.01 0.01 -3.32 120.40 129.56 1rf2 s VAL 82 Ca 0.56 1.44 -0.00 0.00 0.00 0.00 0.00 61.98 63.99 1rf2 s VAL 82 Cb -0.25 -4.05 -0.00 0.00 0.00 0.00 0.00 36.38 32.08 1rf2 s VAL 82 CO 0.21 0.12 0.02 -0.08 0.00 0.00 0.00 175.10 175.37 1rf2 h GLU 83 N 7.19 -0.00 -5.09 2.72 4.81 -1.02 0.11 114.58 123.30 1rf2 h GLU 83 Ca -0.34 0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 58.54 1rf2 h GLU 83 Cb 1.16 0.00 -0.19 0.00 0.63 0.00 0.00 28.75 30.34 1rf2 h GLU 83 CO 0.79 -0.00 -0.75 0.15 -0.73 0.00 0.00 179.01 178.47 1rf2 s LYS 84 N -1.05 0.83 -0.09 1.92 1.02 -1.13 -0.68 119.74 120.57 1rf2 s LYS 84 Ca -0.00 -1.07 0.03 0.00 0.02 0.00 0.00 55.97 54.95 1rf2 s LYS 84 Cb 0.00 -0.64 -0.01 0.00 -0.52 0.00 0.00 37.83 36.65 1rf2 s LYS 84 CO 0.00 0.12 -0.19 -0.51 -0.92 0.00 0.00 175.35 173.85 1rf2 s LEU 85 N -2.16 2.39 -0.20 3.17 1.43 -0.34 -0.93 118.68 122.04 1rf2 s LEU 85 Ca 0.02 -0.41 -0.16 0.00 -1.03 0.00 0.00 54.13 52.55 1rf2 s LEU 85 Cb -0.06 -1.49 -0.04 0.00 0.03 0.00 0.00 46.19 44.64 1rf2 s LEU 85 CO 0.01 0.22 0.39 0.00 0.23 0.00 0.00 176.35 177.20 1rf2 s VAL 87 N 1.34 1.17 -0.06 0.00 -7.23 -0.40 -0.11 120.40 115.10 1rf2 s VAL 87 Ca 0.19 -1.65 -0.25 0.00 -1.81 0.00 0.00 61.98 58.46 1rf2 s VAL 87 Cb -0.15 -1.42 -0.03 0.00 0.56 0.00 0.00 36.38 35.34 1rf2 s VAL 87 CO 0.08 -0.45 0.75 0.26 -0.31 0.00 0.00 175.10 175.43 1rf2 s TRP 88 N -2.16 3.58 -1.53 2.82 0.51 0.37 -1.41 118.94 121.12 1rf2 s TRP 88 Ca 0.07 1.32 0.19 0.00 -2.12 0.00 0.00 56.10 55.56 1rf2 s TRP 88 Cb -0.05 -2.86 0.60 0.00 -0.81 0.00 0.00 33.47 30.35 1rf2 s TRP 88 CO 0.02 0.06 1.51 0.27 -0.51 0.00 0.00 176.95 178.30 1rf2 n ASN 89 N 3.85 3.96 -1.74 2.95 0.23 0.06 -1.82 115.26 122.76 1rf2 n ASN 89 Ca 0.00 -2.13 0.06 0.00 -0.53 0.00 0.00 54.58 51.98 1rf2 n ASN 89 Cb 0.51 -0.47 0.35 0.00 -2.08 0.00 0.00 39.78 38.10 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 1.26 5.15 -4.12 0.53 6.94 -1.26 -4.89 115.26 118.88 1rf2 n ASN 90 Ca 0.22 -2.83 -0.14 0.00 -0.02 0.00 0.00 54.58 51.82 1rf2 n ASN 90 Cb 0.66 -0.67 -0.11 0.00 -2.36 0.00 0.00 39.78 37.30 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 -2.56 0.69 -0.10 -3.83 -0.14 -1.26 -5.10 119.74 107.46 1rf2 s LYS 91 Ca 0.48 -0.97 -0.00 0.00 -1.36 0.00 0.00 55.97 54.12 1rf2 s LYS 91 Cb 0.37 -0.41 0.02 0.00 -1.68 0.00 0.00 37.83 36.13 1rf2 s LYS 91 CO 0.14 0.06 -0.07 0.99 -0.76 0.00 0.00 175.35 175.71 1rf2 s THR 92 N -1.98 0.91 0.95 2.17 2.01 -1.26 -2.90 115.64 115.54 1rf2 s THR 92 Ca -0.02 -0.24 -0.11 0.00 0.31 0.00 0.00 61.69 61.63 1rf2 s THR 92 Cb -0.06 -0.94 0.12 0.00 0.01 0.00 0.00 72.50 71.64 1rf2 s THR 92 CO -0.00 0.34 0.89 -2.65 -0.69 0.00 0.00 174.62 172.51 1rf2 n PRO 93 N 4.76 -0.57 -1.70 4.92 -0.02 -1.26 -5.05 135.00 136.08 1rf2 n PRO 93 Ca -0.14 -0.11 -0.40 0.00 -2.02 0.00 0.00 63.50 60.83 1rf2 n PRO 93 Cb 0.50 -2.19 0.03 0.00 -0.02 0.00 0.00 33.50 31.82 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 -4.12 1.98 -3.71 6.00 8.25 -1.14 -4.52 115.22 117.96 1rf2 n HIS 94 Ca 0.10 0.47 -0.35 0.00 -0.26 0.00 0.00 57.72 57.67 1rf2 n HIS 94 Cb 0.53 -2.34 -0.08 0.00 1.12 0.00 0.00 29.99 29.22 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 -1.27 3.67 0.05 -1.41 0.00 -0.75 -1.58 121.76 120.46 1rf2 s ALA 95 Ca 0.66 -0.74 -0.31 0.00 0.00 0.00 0.00 51.96 51.57 1rf2 s ALA 95 Cb -0.47 -2.21 -0.06 0.00 0.00 0.00 0.00 23.12 20.38 1rf2 s ALA 95 CO 0.54 0.06 1.33 0.42 0.00 0.00 0.00 175.76 178.11 1rf2 s ILE 96 N 0.55 3.72 -0.19 0.00 1.01 0.09 -0.48 121.20 125.90 1rf2 s ILE 96 Ca 0.08 1.18 0.08 0.00 0.00 0.00 0.00 60.65 61.99 1rf2 s ILE 96 Cb -0.12 -3.76 -0.17 0.00 0.01 0.00 0.00 42.46 38.43 1rf2 s ILE 96 CO -0.00 0.05 -0.08 0.00 0.00 0.00 0.00 174.94 174.91 1rf2 n ALA 97 N 4.54 1.56 -3.24 9.38 0.00 0.84 -4.84 120.51 128.75 1rf2 n ALA 97 Ca 0.11 -1.00 -0.12 0.00 0.00 0.00 0.00 53.44 52.43 1rf2 n ALA 97 Cb 0.44 -0.05 -0.04 0.00 0.00 0.00 0.00 19.45 19.81 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 -2.42 -1.28 0.00 0.00 0.00 -0.88 -4.98 121.76 112.20 1rf2 s ALA 98 Ca -0.20 0.33 0.02 0.00 0.00 0.00 0.00 51.96 52.11 1rf2 s ALA 98 Cb 0.06 0.67 -0.01 0.00 0.00 0.00 0.00 23.12 23.85 1rf2 s ALA 98 CO 0.58 -0.65 -0.06 -1.50 0.00 0.00 0.00 175.76 174.13 1rf2 s ILE 99 N -3.39 0.46 0.00 0.00 2.07 -1.26 -1.22 121.20 117.86 1rf2 s ILE 99 Ca -0.00 -0.39 0.07 0.00 -1.41 0.00 0.00 60.65 58.92 1rf2 s ILE 99 Cb 0.00 -0.41 -0.02 0.00 0.13 0.00 0.00 42.46 42.16 1rf2 s ILE 99 CO -0.09 0.03 -0.21 -0.94 -1.91 0.00 0.00 174.94 171.82 1rf2 s SER 100 N -0.39 2.45 -0.05 4.50 1.04 -0.11 -5.00 113.70 116.14 1rf2 s SER 100 Ca -0.00 -0.42 0.05 0.00 0.48 0.00 0.00 55.95 56.06 1rf2 s SER 100 Cb -0.04 -0.25 -0.00 0.00 0.10 0.00 0.00 66.02 65.83 1rf2 s SER 100 CO -0.00 0.23 -0.20 -0.04 0.98 0.00 0.00 173.24 174.21 1rf2 s MET 101 N -0.67 2.05 -0.03 4.02 -1.94 -1.26 -0.46 119.30 121.00 1rf2 s MET 101 Ca 0.08 -0.70 -0.30 0.00 -1.71 0.00 0.00 55.69 53.06 1rf2 s MET 101 Cb -0.08 -1.75 0.07 0.00 2.01 0.00 0.00 34.83 35.08 1rf2 s MET 101 CO -0.00 0.28 0.69 0.00 -0.01 0.00 0.00 175.02 175.98 1rf2 s ALA 102 N 0.01 -1.76 0.00 3.03 0.00 -1.21 -4.87 121.76 116.96 1rf2 s ALA 102 Ca -0.05 1.23 0.00 0.00 0.00 0.00 0.00 51.96 53.14 1rf2 s ALA 102 Cb -0.13 0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.07 1rf2 s ALA 102 CO 0.03 -0.42 0.00 0.09 0.00 0.00 0.00 175.76 175.46