#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rfx h PRO 7 N 0.00 0.96 0.01 0.00 0.11 -2.05 0.88 132.00 131.90 1rfx h PRO 7 Ca 0.00 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.05 1rfx h PRO 7 Cb 0.00 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 30.89 1rfx h PRO 7 CO 0.00 0.63 -0.00 0.82 -0.21 0.00 0.00 178.00 179.24 1rfx h ILE 8 N 0.99 1.60 -0.83 4.15 2.04 -2.05 -2.03 117.51 121.38 1rfx h ILE 8 Ca 0.48 -1.92 0.15 0.00 1.00 0.00 0.00 64.86 64.57 1rfx h ILE 8 Cb 0.43 2.89 -0.10 0.00 -0.74 0.00 0.00 36.82 39.30 1rfx h ILE 8 CO -0.25 0.49 0.40 0.44 0.00 0.00 0.00 178.15 179.23 1rfx h ASP 9 N -0.84 0.45 -0.25 1.72 5.19 -1.97 -0.90 116.42 119.82 1rfx h ASP 9 Ca -0.00 0.10 -0.03 0.00 -0.62 0.00 0.00 57.03 56.48 1rfx h ASP 9 Cb 0.81 0.04 -0.01 0.00 0.18 0.00 0.00 39.33 40.35 1rfx h ASP 9 CO 0.00 0.17 0.03 -0.08 -3.12 0.00 0.00 179.24 176.24 1rfx h GLU 10 N 0.56 0.42 -0.86 3.56 4.57 -0.85 0.51 114.58 122.49 1rfx h GLU 10 Ca 0.46 -0.12 0.01 0.00 -1.18 0.00 0.00 59.36 58.53 1rfx h GLU 10 Cb 0.70 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 29.20 1rfx h GLU 10 CO -0.39 0.56 0.55 0.00 -1.18 0.00 0.00 179.01 178.55 1rfx h ALA 11 N 0.84 1.09 -0.26 2.92 0.00 -0.83 -1.20 119.26 121.82 1rfx h ALA 11 Ca 0.07 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1rfx h ALA 11 Cb 0.35 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1rfx h ALA 11 CO 0.01 0.51 -0.21 0.82 0.00 0.00 0.00 179.25 180.37 1rfx h ILE 12 N 1.16 1.31 -0.54 0.00 2.04 -1.05 -2.22 117.51 118.21 1rfx h ILE 12 Ca 0.31 -1.35 0.09 0.00 1.00 0.00 0.00 64.86 64.91 1rfx h ILE 12 Cb -0.11 1.62 -0.07 0.00 -0.74 0.00 0.00 36.82 37.51 1rfx h ILE 12 CO -0.07 0.42 0.13 -0.78 0.00 0.00 0.00 178.15 177.86 1rfx h ASP 13 N 0.31 0.03 -0.68 1.72 3.58 -0.63 0.25 116.42 121.01 1rfx h ASP 13 Ca 0.05 0.09 0.03 0.00 0.42 0.00 0.00 57.03 57.62 1rfx h ASP 13 Cb 0.75 0.12 -0.04 0.00 1.72 0.00 0.00 39.33 41.88 1rfx h ASP 13 CO 0.05 0.04 0.42 0.50 -2.88 0.00 0.00 179.24 177.37 1rfx h LYS 14 N 0.27 0.79 -0.52 0.28 3.64 -1.12 -2.03 116.57 117.88 1rfx h LYS 14 Ca 0.28 -0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.48 1rfx h LYS 14 Cb 0.38 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 1rfx h LYS 14 CO -0.34 0.53 -0.16 -0.22 -2.27 0.00 0.00 179.45 176.98 1rfx h LYS 15 N 0.82 1.02 -0.27 1.90 3.64 -0.69 -0.71 116.57 122.27 1rfx h LYS 15 Ca 0.28 -0.40 0.02 0.00 -1.27 0.00 0.00 60.65 59.28 1rfx h LYS 15 Cb 0.04 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 1rfx h LYS 15 CO -0.12 1.09 0.12 0.82 -2.27 0.00 0.00 179.45 179.09 1rfx h ILE 16 N 0.89 0.96 -0.32 2.00 2.04 -0.74 0.17 117.51 122.50 1rfx h ILE 16 Ca 0.13 -0.09 -0.03 0.00 1.00 0.00 0.00 64.86 65.86 1rfx h ILE 16 Cb 0.74 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 1rfx h ILE 16 CO 0.06 0.05 0.07 0.11 0.00 0.00 0.00 178.15 178.43 1rfx h LYS 17 N 0.26 0.53 -0.29 2.37 1.57 -1.16 0.90 116.57 120.74 1rfx h LYS 17 Ca 0.12 -0.13 0.03 0.00 -1.87 0.00 0.00 60.65 58.79 1rfx h LYS 17 Cb 0.06 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 1rfx h LYS 17 CO -0.10 0.60 0.12 1.96 -0.57 0.00 0.00 179.45 181.47 1rfx h GLN 18 N 0.37 0.25 -0.54 3.15 4.20 -0.98 -2.13 115.11 119.44 1rfx h GLN 18 Ca 0.10 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.77 1rfx h GLN 18 Cb 0.32 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.02 1rfx h GLN 18 CO 0.00 0.17 0.22 -0.44 -0.67 0.00 0.00 178.83 178.11 1rfx h ASP 19 N 0.26 0.74 -0.73 1.46 3.45 -0.48 -2.76 116.42 118.35 1rfx h ASP 19 Ca 0.12 -0.17 0.08 0.00 0.43 0.00 0.00 57.03 57.50 1rfx h ASP 19 Cb 0.07 -0.19 -0.07 0.00 -0.56 0.00 0.00 39.33 38.58 1rfx h ASP 19 CO -0.11 0.70 0.40 0.15 -1.57 0.00 0.00 179.24 178.81 1rfx h PHE 20 N 0.73 0.72 0.00 4.55 3.04 -0.64 0.67 116.94 126.01 1rfx h PHE 20 Ca 0.18 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 62.15 1rfx h PHE 20 Cb 0.19 -0.21 -0.00 0.00 2.56 0.00 0.00 35.95 38.49 1rfx h PHE 20 CO 0.01 0.30 -0.05 -0.91 -2.02 0.00 0.00 178.31 175.64 1rfx h ASN 21 N 0.69 0.00 0.04 0.41 -0.26 -1.10 -0.51 115.58 114.85 1rfx h ASN 21 Ca 0.35 0.00 -0.20 0.00 -0.56 0.00 0.00 56.30 55.88 1rfx h ASN 21 Cb 0.30 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.55 1rfx h ASN 21 CO -0.23 0.05 -1.09 0.28 -1.06 0.00 0.00 177.43 175.38 1rfx h SER 22 N 0.00 0.14 -0.54 5.81 0.02 -1.11 -3.41 113.55 114.46 1rfx h SER 22 Ca -0.00 -0.73 -0.10 0.00 -0.84 0.00 0.00 61.79 60.12 1rfx h SER 22 Cb 0.17 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 1rfx h SER 22 CO 0.01 1.45 -0.04 -0.07 -1.14 0.00 0.00 176.83 177.04 1rfx h LEU 23 N -0.74 0.99 0.26 5.07 3.38 -0.68 -3.28 115.31 120.32 1rfx h LEU 23 Ca -0.27 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.40 1rfx h LEU 23 Cb 1.42 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1rfx h LEU 23 CO -0.07 1.07 -0.13 0.15 0.09 0.00 0.00 178.44 179.55 1rfx h PHE 24 N 0.91 -0.33 -0.83 1.13 3.57 -1.32 -0.87 116.94 119.21 1rfx h PHE 24 Ca 0.16 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.68 1rfx h PHE 24 Cb 0.58 0.11 -0.05 0.00 2.79 0.00 0.00 35.95 39.39 1rfx h PHE 24 CO 0.04 -0.07 0.55 -1.35 -2.23 0.00 0.00 178.31 175.24 1rfx h PRO 25 N -0.54 1.01 -0.23 6.41 0.11 -1.79 -1.35 132.00 135.62 1rfx h PRO 25 Ca -0.04 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 65.94 1rfx h PRO 25 Cb 0.40 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.27 1rfx h PRO 25 CO 0.06 0.67 -0.17 -0.97 -0.21 0.00 0.00 178.00 177.38 1rfx h ASN 26 N 1.04 0.38 -0.23 -2.05 -1.24 -1.58 -2.31 115.58 109.60 1rfx h ASN 26 Ca 0.33 -0.10 -0.10 0.00 0.71 0.00 0.00 56.30 57.13 1rfx h ASN 26 Cb 0.01 -0.10 -0.00 0.00 0.73 0.00 0.00 38.32 38.96 1rfx h ASN 26 CO -0.09 0.58 -0.27 0.00 -1.29 0.00 0.00 177.43 176.36 1rfx h ALA 27 N 1.46 0.34 -0.18 1.57 0.00 -0.13 -3.00 119.26 119.31 1rfx h ALA 27 Ca 0.07 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 1rfx h ALA 27 Cb 0.51 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1rfx h ALA 27 CO 0.03 0.33 -0.01 0.82 0.00 0.00 0.00 179.25 180.42 1rfx h ILE 28 N 0.28 1.13 0.00 0.00 1.08 -1.19 -1.84 117.51 116.97 1rfx h ILE 28 Ca 0.03 -0.51 0.00 0.00 -0.39 0.00 0.00 64.86 63.99 1rfx h ILE 28 Cb 0.83 1.01 0.00 0.00 -3.07 0.00 0.00 36.82 35.59 1rfx h ILE 28 CO 0.06 0.17 0.00 0.11 -0.69 0.00 0.00 178.15 177.80 1rfx h LYS 29 N 0.26 0.00 -0.01 2.37 1.57 -1.27 -0.24 116.57 119.26 1rfx h LYS 29 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1rfx h LYS 29 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 1rfx h LYS 29 CO 0.01 0.00 -0.14 0.09 -0.57 0.00 0.00 179.45 178.83 1rfx n ASN 30 N -2.69 0.65 -4.76 0.86 3.02 -0.69 -4.86 115.26 106.80 1rfx n ASN 30 Ca -0.01 -0.70 -0.35 0.00 -0.03 0.00 0.00 54.58 53.48 1rfx n ASN 30 Cb 0.10 -0.01 -0.08 0.00 -0.61 0.00 0.00 39.78 39.18 1rfx n ASN 30 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1rfx s ILE 31 N -2.46 5.42 0.15 2.41 1.01 -0.10 -0.14 121.20 127.49 1rfx s ILE 31 Ca 0.28 0.19 0.06 0.00 0.00 0.00 0.00 60.65 61.18 1rfx s ILE 31 Cb 0.20 -3.45 -0.04 0.00 0.01 0.00 0.00 42.46 39.17 1rfx s ILE 31 CO 0.48 0.47 -0.13 -0.83 0.00 0.00 0.00 174.94 174.94 1rfx s GLY 32 N 0.12 1.13 -0.01 6.18 0.00 -0.35 -4.95 107.32 109.43 1rfx s GLY 32 Ca 0.09 -1.43 -0.30 0.00 0.00 0.00 0.00 44.72 43.08 1rfx s GLY 32 CO -0.01 -1.51 1.39 1.08 0.00 0.00 0.00 173.10 174.05 1rfx s LEU 33 N -2.88 4.31 -0.23 0.66 1.02 -1.26 -0.47 118.68 119.83 1rfx s LEU 33 Ca 0.14 2.08 -0.01 0.00 0.02 0.00 0.00 54.13 56.36 1rfx s LEU 33 Cb -0.01 -3.56 0.02 0.00 0.02 0.00 0.00 46.19 42.66 1rfx s LEU 33 CO 0.03 -0.72 -0.09 0.21 0.02 0.00 0.00 176.35 175.80 1rfx s ASN 34 N 1.89 4.08 0.07 2.29 3.04 0.96 -4.92 114.94 122.36 1rfx s ASN 34 Ca 0.63 -0.77 0.09 0.00 0.04 0.00 0.00 52.86 52.86 1rfx s ASN 34 Cb -0.31 -1.64 -0.03 0.00 -1.54 0.00 0.00 41.25 37.74 1rfx s ASN 34 CO 0.26 -0.09 -0.24 0.00 -3.04 0.00 0.00 177.10 173.99 1rfx s TRP 36 N -0.92 0.38 -0.16 0.00 -2.14 -0.01 -4.97 118.94 111.11 1rfx s TRP 36 Ca 0.11 -0.73 -0.09 0.00 2.66 0.00 0.00 56.10 58.05 1rfx s TRP 36 Cb -0.10 0.14 -0.05 0.00 -3.10 0.00 0.00 33.47 30.37 1rfx s TRP 36 CO 0.03 -0.95 0.13 0.99 -2.66 0.00 0.00 176.95 174.50 1rfx s THR 37 N -4.01 5.42 -0.24 0.66 2.01 -1.26 -0.75 115.64 117.46 1rfx s THR 37 Ca 0.22 0.19 -0.07 0.00 0.31 0.00 0.00 61.69 62.34 1rfx s THR 37 Cb 0.00 -3.42 -0.02 0.00 0.01 0.00 0.00 72.50 69.06 1rfx s THR 37 CO 0.08 0.52 0.05 -0.69 -0.69 0.00 0.00 174.62 173.89 1rfx s VAL 38 N -0.25 4.13 -0.15 3.82 1.01 -0.11 -4.97 120.40 123.89 1rfx s VAL 38 Ca 0.11 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 61.86 1rfx s VAL 38 Cb -0.11 -2.92 -0.01 0.00 0.00 0.00 0.00 36.38 33.34 1rfx s VAL 38 CO 0.01 0.36 -0.14 -0.44 0.00 0.00 0.00 175.10 174.88 1rfx s SER 39 N 1.59 3.80 0.03 3.32 0.01 -1.26 -0.73 113.70 120.45 1rfx s SER 39 Ca 0.06 -0.42 0.04 0.00 1.31 0.00 0.00 55.95 56.94 1rfx s SER 39 Cb -0.15 -1.58 -0.02 0.00 0.21 0.00 0.00 66.02 64.48 1rfx s SER 39 CO 0.02 0.11 -0.12 -0.44 0.41 0.00 0.00 173.24 173.23 1rfx s SER 40 N 0.65 1.35 0.44 2.44 0.01 -0.32 -5.00 113.70 113.28 1rfx s SER 40 Ca -0.07 -0.41 -0.24 0.00 1.31 0.00 0.00 55.95 56.54 1rfx s SER 40 Cb -0.16 -0.08 -0.08 0.00 0.21 0.00 0.00 66.02 65.92 1rfx s SER 40 CO 0.02 0.00 1.19 -0.13 0.41 0.00 0.00 173.24 174.73 1rfx s ARG 41 N -1.02 3.81 0.99 12.44 0.52 -1.26 -0.83 118.95 133.60 1rfx s ARG 41 Ca -0.00 1.85 0.00 0.00 -0.52 0.00 0.00 55.73 57.06 1rfx s ARG 41 Cb -0.07 -2.49 0.00 0.00 0.52 0.00 0.00 34.95 32.90 1rfx s ARG 41 CO 0.01 -0.53 0.00 0.41 0.02 0.00 0.00 175.30 175.21 1rfx n GLY 42 N 0.53 -0.77 0.39 -3.53 0.00 -0.22 -4.61 105.19 96.98 1rfx n GLY 42 Ca 0.06 -1.63 0.11 0.00 0.00 0.00 0.00 46.02 44.57 1rfx n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1rfx n LYS 43 N 0.00 1.01 -4.51 1.61 5.02 -1.26 -2.71 118.16 117.32 1rfx n LYS 43 Ca 0.00 -0.79 -0.21 0.00 -2.02 0.00 0.00 58.31 55.28 1rfx n LYS 43 Cb 0.00 -1.48 -0.15 0.00 -0.02 0.00 0.00 35.03 33.37 1rfx n LYS 43 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1rfx s LEU 44 N -2.54 1.89 -0.03 -0.35 1.43 -1.26 -0.98 118.68 116.85 1rfx s LEU 44 Ca 0.19 -0.22 0.00 0.00 -1.03 0.00 0.00 54.13 53.06 1rfx s LEU 44 Cb 0.18 -0.64 0.03 0.00 0.03 0.00 0.00 46.19 45.79 1rfx s LEU 44 CO 0.59 0.11 0.02 0.00 0.23 0.00 0.00 176.35 177.29 1rfx s ALA 45 N -0.01 0.22 -0.08 4.21 0.00 -0.50 -4.64 121.76 120.97 1rfx s ALA 45 Ca -0.00 0.22 -0.00 0.00 0.00 0.00 0.00 51.96 52.18 1rfx s ALA 45 Cb -0.08 -0.31 -0.03 0.00 0.00 0.00 0.00 23.12 22.70 1rfx s ALA 45 CO 0.00 -0.11 -0.05 0.45 0.00 0.00 0.00 175.76 176.05 1rfx s SER 46 N 1.11 4.83 0.20 0.00 0.15 -1.26 0.27 113.70 119.01 1rfx s SER 46 Ca -0.09 0.02 -0.20 0.00 0.70 0.00 0.00 55.95 56.39 1rfx s SER 46 Cb -0.13 -1.29 -0.08 0.00 -1.71 0.00 0.00 66.02 62.81 1rfx s SER 46 CO -0.02 0.36 0.71 0.00 1.20 0.00 0.00 173.24 175.48 1rfx s PRO 48 N -1.83 2.84 0.48 0.00 0.04 -1.26 -4.91 135.00 130.36 1rfx s PRO 48 Ca 0.41 1.16 -0.22 0.00 0.04 0.00 0.00 61.00 62.38 1rfx s PRO 48 Cb -0.17 -1.97 -0.09 0.00 0.04 0.00 0.00 34.50 32.31 1rfx s PRO 48 CO 0.21 -1.19 1.01 0.39 0.04 0.00 0.00 177.00 177.46 1rfx n GLU 49 N -2.81 1.25 -0.73 4.56 1.02 -1.26 -2.36 120.64 120.30 1rfx n GLU 49 Ca 0.09 0.46 0.00 0.00 -0.02 0.00 0.00 57.16 57.68 1rfx n GLU 49 Cb 0.53 -2.11 0.00 0.00 -0.02 0.00 0.00 31.44 29.84 1rfx n GLU 49 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1rfx n GLY 50 N 1.19 0.64 3.15 0.62 0.00 -1.26 -5.05 105.19 104.48 1rfx n GLY 50 Ca 0.10 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.02 1rfx n GLY 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1rfx s THR 51 N -2.01 0.63 0.05 2.61 -4.23 -1.00 -4.72 115.64 106.97 1rfx s THR 51 Ca 0.00 -1.82 0.03 0.00 -1.18 0.00 0.00 61.69 58.72 1rfx s THR 51 Cb 0.00 -1.53 -0.04 0.00 1.34 0.00 0.00 72.50 72.27 1rfx s THR 51 CO 0.00 -0.83 0.03 0.00 -0.54 0.00 0.00 174.62 173.28 1rfx s ALA 52 N -3.37 3.38 -0.12 3.99 0.00 0.27 -4.85 121.76 121.05 1rfx s ALA 52 Ca 0.09 -1.01 -0.24 0.00 0.00 0.00 0.00 51.96 50.79 1rfx s ALA 52 Cb 0.04 -1.33 -0.03 0.00 0.00 0.00 0.00 23.12 21.80 1rfx s ALA 52 CO -0.05 0.69 0.76 0.08 0.00 0.00 0.00 175.76 177.25 1rfx s VAL 53 N -1.25 4.97 -0.18 0.00 1.01 -1.26 -0.57 120.40 123.12 1rfx s VAL 53 Ca 0.24 1.52 -0.05 0.00 0.00 0.00 0.00 61.98 63.69 1rfx s VAL 53 Cb -0.12 -4.08 -0.22 0.00 0.00 0.00 0.00 36.38 31.96 1rfx s VAL 53 CO 0.16 0.13 0.11 -0.11 0.00 0.00 0.00 175.10 175.40 1rfx n LEU 54 N 4.55 2.68 -3.80 3.92 7.94 0.65 -4.97 117.00 127.97 1rfx n LEU 54 Ca 0.01 0.11 -0.01 0.00 -1.11 0.00 0.00 56.01 55.02 1rfx n LEU 54 Cb 0.50 -1.02 0.00 0.00 0.53 0.00 0.00 43.42 43.43 1rfx n LEU 54 CO 0.47 0.84 0.93 -0.94 -1.11 0.00 0.00 177.39 177.58 1rfx s SER 55 N -6.87 -0.05 0.13 1.96 1.04 -1.23 -5.01 113.70 103.66 1rfx s SER 55 Ca -0.28 -0.36 0.02 0.00 0.48 0.00 0.00 55.95 55.82 1rfx s SER 55 Cb 0.08 0.32 -0.04 0.00 0.10 0.00 0.00 66.02 66.47 1rfx s SER 55 CO 0.69 -0.62 -0.06 0.00 0.98 0.00 0.00 173.24 174.23 1rfx s SER 57 N -3.11 0.17 -0.00 0.00 1.04 0.03 -4.98 113.70 106.85 1rfx s SER 57 Ca 0.16 -0.78 0.00 0.00 0.48 0.00 0.00 55.95 55.82 1rfx s SER 57 Cb 0.05 0.34 0.01 0.00 0.10 0.00 0.00 66.02 66.51 1rfx s SER 57 CO -0.01 -0.74 0.74 0.00 0.98 0.00 0.00 173.24 174.20 1rfx n GLY 59 N -0.24 -2.80 0.00 0.00 0.00 -1.26 -4.13 105.19 96.76 1rfx n GLY 59 Ca 0.00 -1.68 0.11 0.00 0.00 0.00 0.00 46.02 44.45 1rfx n GLY 59 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1rfx n SER 60 N -0.74 0.00 0.05 1.61 3.41 -1.26 -3.06 113.62 113.63 1rfx n SER 60 Ca 0.00 -0.01 -0.22 0.00 -0.26 0.00 0.00 58.87 58.38 1rfx n SER 60 Cb 0.00 -0.30 -0.15 0.00 -0.26 0.00 0.00 64.21 63.51 1rfx n SER 60 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rfx h ALA 61 N 3.04 0.08 -4.45 7.33 0.00 -1.97 -3.48 119.26 119.81 1rfx h ALA 61 Ca 0.00 -1.00 -0.63 0.00 0.00 0.00 0.00 54.91 53.28 1rfx h ALA 61 Cb 0.22 0.36 -0.29 0.00 0.00 0.00 0.00 17.79 18.08 1rfx h ALA 61 CO 0.00 0.77 -0.86 0.00 0.00 0.00 0.00 179.25 179.16 1rfx n GLY 63 N 2.45 0.50 3.31 0.00 0.00 -1.26 -4.22 105.19 105.97 1rfx n GLY 63 Ca -0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.50 1rfx n GLY 63 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rfx s SER 64 N -0.57 4.73 0.16 1.61 0.01 -1.26 -5.06 113.70 113.32 1rfx s SER 64 Ca 0.00 -0.62 -0.10 0.00 1.31 0.00 0.00 55.95 56.54 1rfx s SER 64 Cb 0.00 -1.80 -0.00 0.00 0.21 0.00 0.00 66.02 64.43 1rfx s SER 64 CO 0.00 -0.12 0.31 -1.66 0.41 0.00 0.00 173.24 172.18 1rfx s TRP 65 N 1.46 0.30 0.10 2.43 1.48 -1.26 -1.15 118.94 122.31 1rfx s TRP 65 Ca 0.03 -0.67 -0.04 0.00 -1.06 0.00 0.00 56.10 54.36 1rfx s TRP 65 Cb -0.16 0.00 -0.03 0.00 -1.16 0.00 0.00 33.47 32.13 1rfx s TRP 65 CO -0.01 -0.73 0.10 0.16 -4.06 0.00 0.00 176.95 172.41 1rfx s ASP 66 N -2.95 0.28 -0.23 -2.66 -4.77 -0.37 -4.99 116.67 100.98 1rfx s ASP 66 Ca 0.15 -0.97 -0.07 0.00 -3.30 0.00 0.00 52.55 48.36 1rfx s ASP 66 Cb 0.03 0.30 -0.03 0.00 -1.09 0.00 0.00 42.92 42.13 1rfx s ASP 66 CO -0.01 -0.72 0.06 -0.63 0.70 0.00 0.00 175.17 174.57 1rfx s ILE 67 N -3.95 4.33 -0.18 2.11 1.01 -1.26 -0.71 121.20 122.55 1rfx s ILE 67 Ca 0.13 -0.17 -0.11 0.00 0.00 0.00 0.00 60.65 60.50 1rfx s ILE 67 Cb 0.06 -3.01 -0.05 0.00 0.01 0.00 0.00 42.46 39.48 1rfx s ILE 67 CO -0.05 0.36 0.19 -0.13 0.00 0.00 0.00 174.94 175.32 1rfx s ARG 68 N 1.38 4.16 -1.51 2.79 0.52 0.90 -4.46 118.95 122.73 1rfx s ARG 68 Ca 0.05 -0.10 0.00 0.00 -0.52 0.00 0.00 55.73 55.17 1rfx s ARG 68 Cb -0.15 -3.41 0.00 0.00 0.52 0.00 0.00 34.95 31.92 1rfx s ARG 68 CO 0.03 0.31 0.00 0.39 0.02 0.00 0.00 175.30 176.06 1rfx n GLU 69 N 3.42 -1.69 -3.20 3.54 4.71 -1.26 -1.44 120.64 124.72 1rfx n GLU 69 Ca -0.15 0.85 -0.22 0.00 -0.01 0.00 0.00 57.16 57.63 1rfx n GLU 69 Cb 0.52 -5.32 0.00 0.00 -1.01 0.00 0.00 31.44 25.64 1rfx n GLU 69 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1rfx n GLU 70 N -2.49 -3.61 0.00 3.49 -0.58 -1.26 -4.74 120.64 111.45 1rfx n GLU 70 Ca -0.17 0.58 0.00 0.00 -0.42 0.00 0.00 57.16 57.14 1rfx n GLU 70 Cb 0.58 -5.31 0.00 0.00 -0.57 0.00 0.00 31.44 26.14 1rfx n GLU 70 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1rfx n LYS 71 N -3.71 0.00 -4.08 3.49 4.81 -0.53 -4.34 118.16 113.80 1rfx n LYS 71 Ca -0.05 0.00 -0.34 0.00 -0.87 0.00 0.00 58.31 57.06 1rfx n LYS 71 Cb 0.56 -0.41 -0.15 0.00 0.02 0.00 0.00 35.03 35.05 1rfx n LYS 71 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1rfx s VAL 72 N -1.00 2.52 0.08 3.15 1.01 -0.52 -0.84 120.40 124.81 1rfx s VAL 72 Ca 0.00 -0.78 -0.30 0.00 0.00 0.00 0.00 61.98 60.89 1rfx s VAL 72 Cb 0.00 -2.09 -0.06 0.00 0.00 0.00 0.00 36.38 34.23 1rfx s VAL 72 CO 0.00 0.50 1.13 0.00 0.00 0.00 0.00 175.10 176.73 1rfx s HIS 74 N 0.69 1.90 0.02 0.00 5.04 0.11 -1.41 115.29 121.64 1rfx s HIS 74 Ca 0.55 -1.15 -0.20 0.00 -1.54 0.00 0.00 55.06 52.71 1rfx s HIS 74 Cb -0.28 -1.42 -0.06 0.00 0.04 0.00 0.00 32.58 30.86 1rfx s HIS 74 CO 0.31 -0.63 0.60 0.00 -2.34 0.00 0.00 174.74 172.67 1rfx n GLN 76 N 2.49 0.59 -1.11 0.00 6.02 -0.30 -4.87 117.38 120.20 1rfx n GLN 76 Ca -0.07 -0.18 -0.30 0.00 -0.01 0.00 0.00 57.00 56.44 1rfx n GLN 76 Cb 0.51 -1.47 0.14 0.00 1.02 0.00 0.00 30.24 30.44 1rfx n GLN 76 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1rfx h ALA 78 N -1.56 0.54 -3.15 0.00 0.00 -2.00 -3.40 119.26 109.69 1rfx h ALA 78 Ca -0.48 -0.42 -0.67 0.00 0.00 0.00 0.00 54.91 53.33 1rfx h ALA 78 Cb 1.27 -0.12 -0.29 0.00 0.00 0.00 0.00 17.79 18.65 1rfx h ALA 78 CO 0.52 0.59 -0.68 -0.98 0.00 0.00 0.00 179.25 178.70 1rfx s ARG 79 N -4.46 2.96 -0.09 0.00 1.70 -1.26 -5.08 118.95 112.72 1rfx s ARG 79 Ca -0.12 -0.92 -0.01 0.00 -0.47 0.00 0.00 55.73 54.22 1rfx s ARG 79 Cb 0.11 -3.19 0.03 0.00 -0.57 0.00 0.00 34.95 31.32 1rfx s ARG 79 CO 0.86 -0.43 -0.04 0.42 -1.08 0.00 0.00 175.30 175.03 1rfx s ILE 80 N 1.41 0.74 -0.11 4.99 -1.09 -1.26 -4.91 121.20 120.96 1rfx s ILE 80 Ca 0.01 -0.12 -0.28 0.00 -2.23 0.00 0.00 60.65 58.03 1rfx s ILE 80 Cb -0.17 -0.81 -0.24 0.00 -1.58 0.00 0.00 42.46 39.66 1rfx s ILE 80 CO -0.01 0.32 0.87 0.44 -1.23 0.00 0.00 174.94 175.33 1rfx h ASP 81 N 8.12 -0.00 -4.10 3.58 5.19 -1.88 -3.36 116.42 123.98 1rfx h ASP 81 Ca -0.26 -0.87 -0.27 0.00 -0.62 0.00 0.00 57.03 55.01 1rfx h ASP 81 Cb 1.13 0.00 -0.26 0.00 0.18 0.00 0.00 39.33 40.38 1rfx h ASP 81 CO 0.36 0.87 -0.74 0.26 -3.12 0.00 0.00 179.24 176.87 1rfx s TRP 82 N -2.67 0.35 0.01 4.55 0.52 -1.26 -1.05 118.94 119.40 1rfx s TRP 82 Ca -0.18 -0.17 0.07 0.00 0.02 0.00 0.00 56.10 55.84 1rfx s TRP 82 Cb -0.02 -0.22 -0.03 0.00 -1.15 0.00 0.00 33.47 32.05 1rfx s TRP 82 CO 0.67 -0.04 -0.19 0.99 0.02 0.00 0.00 176.95 178.40 1rfx s THR 83 N -0.42 2.67 -0.05 2.01 2.01 -0.01 -4.43 115.64 117.42 1rfx s THR 83 Ca -0.02 -1.10 0.03 0.00 0.31 0.00 0.00 61.69 60.90 1rfx s THR 83 Cb -0.03 -2.07 0.01 0.00 0.01 0.00 0.00 72.50 70.41 1rfx s THR 83 CO -0.00 0.43 -0.12 0.00 -0.69 0.00 0.00 174.62 174.24 1rfx s ALA 84 N -0.83 1.16 -0.06 7.40 0.00 -0.34 -1.18 121.76 127.92 1rfx s ALA 84 Ca 0.13 -0.42 0.02 0.00 0.00 0.00 0.00 51.96 51.70 1rfx s ALA 84 Cb -0.10 -0.48 -0.03 0.00 0.00 0.00 0.00 23.12 22.51 1rfx s ALA 84 CO 0.03 0.14 -0.11 0.00 0.00 0.00 0.00 175.76 175.82 1rfx s ALA 85 N 0.44 2.79 -0.27 0.00 0.00 0.09 -0.79 121.76 124.03 1rfx s ALA 85 Ca -0.09 -0.94 -0.11 0.00 0.00 0.00 0.00 51.96 50.81 1rfx s ALA 85 Cb -0.13 -1.08 -0.05 0.00 0.00 0.00 0.00 23.12 21.86 1rfx s ALA 85 CO 0.02 0.55 0.19 0.50 0.00 0.00 0.00 175.76 177.02 1rfx s ARG 86 N -0.71 3.98 -0.04 0.00 6.06 -0.16 -0.93 118.95 127.15 1rfx s ARG 86 Ca 0.11 -0.30 0.07 0.00 -2.50 0.00 0.00 55.73 53.11 1rfx s ARG 86 Cb -0.11 -3.63 -0.02 0.00 0.06 0.00 0.00 34.95 31.25 1rfx s ARG 86 CO 0.01 -0.13 -0.23 0.00 -2.50 0.00 0.00 175.30 172.45 1rfx s LYS 89 N -0.90 1.39 0.07 0.00 -2.85 -0.13 -0.56 119.74 116.75 1rfx s LYS 89 Ca -0.01 -1.47 -0.24 0.00 -1.00 0.00 0.00 55.97 53.25 1rfx s LYS 89 Cb -0.07 0.37 -0.06 0.00 -2.06 0.00 0.00 37.83 36.01 1rfx s LYS 89 CO 0.00 -0.52 0.73 -0.51 0.10 0.00 0.00 175.35 175.15 1rfx s LEU 90 N -3.10 4.49 -0.03 2.77 1.43 -1.26 -0.03 118.68 122.94 1rfx s LEU 90 Ca 0.31 1.45 -0.05 0.00 -1.03 0.00 0.00 54.13 54.81 1rfx s LEU 90 Cb 0.03 -3.18 0.01 0.00 0.03 0.00 0.00 46.19 43.08 1rfx s LEU 90 CO 0.11 0.09 0.11 -1.58 0.23 0.00 0.00 176.35 175.32 1rfx s GLN 91 N -0.41 0.23 0.06 1.70 0.74 0.39 -4.89 119.66 117.48 1rfx s GLN 91 Ca 0.36 -0.02 -0.25 0.00 0.05 0.00 0.00 55.36 55.50 1rfx s GLN 91 Cb -0.21 0.10 -0.06 0.00 1.10 0.00 0.00 33.01 33.94 1rfx s GLN 91 CO 0.23 -0.04 0.76 0.08 -0.55 0.00 0.00 175.29 175.77 1rfx s VAL 92 N -0.38 4.67 -0.47 1.34 1.01 -1.26 -1.22 120.40 124.10 1rfx s VAL 92 Ca -0.05 1.63 0.03 0.00 0.00 0.00 0.00 61.98 63.60 1rfx s VAL 92 Cb -0.03 -4.11 0.16 0.00 0.00 0.00 0.00 36.38 32.40 1rfx s VAL 92 CO 0.00 0.39 0.34 0.00 0.00 0.00 0.00 175.10 175.84 1rfx s ALA 93 N -0.25 2.01 0.00 5.51 0.00 0.81 -4.98 121.76 124.86 1rfx s ALA 93 Ca 0.38 -2.71 0.00 0.00 0.00 0.00 0.00 51.96 49.63 1rfx s ALA 93 Cb -0.21 -1.77 0.00 0.00 0.00 0.00 0.00 23.12 21.14 1rfx s ALA 93 CO 0.23 -2.03 0.00 0.45 0.00 0.00 0.00 175.76 174.41