#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 0.42 -0.01 0.00 0.13 -2.05 -0.95 132.00 129.53 1rfx h PRO 7 Ca 0.00 -0.03 -0.12 0.00 -0.87 0.00 0.00 66.00 64.99 1rfx h PRO 7 Cb 0.00 -0.10 0.01 0.00 0.13 0.00 0.00 31.00 31.04 1rfx h PRO 7 CO 0.00 0.28 -0.45 0.82 -0.23 0.00 0.00 178.00 178.42 1rfx h ILE 8 N 0.43 1.47 -0.54 -3.56 2.04 -2.05 -2.32 117.51 112.98 1rfx h ILE 8 Ca 0.14 -2.00 0.10 0.00 1.00 0.00 0.00 64.86 64.11 1rfx h ILE 8 Cb 0.04 2.63 -0.08 0.00 -0.74 0.00 0.00 36.82 38.68 1rfx h ILE 8 CO -0.03 0.57 0.09 0.44 0.00 0.00 0.00 178.15 179.22 1rfx h ASP 9 N -0.25 -0.04 -0.59 1.72 5.19 -1.92 -1.61 116.42 118.90 1rfx h ASP 9 Ca -0.05 0.11 -0.07 0.00 -0.62 0.00 0.00 57.03 56.39 1rfx h ASP 9 Cb 1.17 0.15 -0.03 0.00 0.18 0.00 0.00 39.33 40.81 1rfx h ASP 9 CO 0.09 -0.00 0.12 -0.33 -3.12 0.00 0.00 179.24 175.99 1rfx h GLU 10 N 0.22 1.00 -0.66 3.56 3.07 -1.22 0.31 114.58 120.87 1rfx h GLU 10 Ca 0.28 -0.24 -0.01 0.00 -0.50 0.00 0.00 59.36 58.88 1rfx h GLU 10 Cb 0.40 -0.13 -0.03 0.00 -0.84 0.00 0.00 28.75 28.15 1rfx h GLU 10 CO -0.38 0.91 0.36 0.00 -1.40 0.00 0.00 179.01 178.50 1rfx h ALA 11 N 1.17 0.84 -0.22 3.43 0.00 -1.01 -0.62 119.26 122.85 1rfx h ALA 11 Ca 0.19 -0.11 -0.16 0.00 0.00 0.00 0.00 54.91 54.83 1rfx h ALA 11 Cb 0.39 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1rfx h ALA 11 CO 0.01 0.36 -0.49 0.82 0.00 0.00 0.00 179.25 179.95 1rfx h ILE 12 N 0.90 1.30 -0.91 0.00 2.04 -0.88 -1.95 117.51 118.01 1rfx h ILE 12 Ca 0.23 -1.70 0.05 0.00 1.00 0.00 0.00 64.86 64.44 1rfx h ILE 12 Cb 0.05 1.80 -0.06 0.00 -0.74 0.00 0.00 36.82 37.87 1rfx h ILE 12 CO -0.04 0.54 0.58 0.44 0.00 0.00 0.00 178.15 179.67 1rfx h ASP 13 N 0.45 0.93 -0.53 1.72 3.32 -0.27 -0.08 116.42 121.96 1rfx h ASP 13 Ca 0.00 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.02 1rfx h ASP 13 Cb 1.10 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.44 1rfx h ASP 13 CO 0.11 0.61 0.17 0.50 -1.72 0.00 0.00 179.24 178.91 1rfx h LYS 14 N 1.08 0.83 -0.48 3.56 1.63 -1.01 -1.94 116.57 120.24 1rfx h LYS 14 Ca 0.39 -0.18 -0.06 0.00 -0.85 0.00 0.00 60.65 59.95 1rfx h LYS 14 Cb 0.12 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 31.61 1rfx h LYS 14 CO -0.16 0.76 0.05 -0.22 -3.45 0.00 0.00 179.45 176.43 1rfx h LYS 15 N 0.74 0.81 -0.81 1.90 1.63 -0.68 -1.39 116.57 118.77 1rfx h LYS 15 Ca 0.17 -0.23 0.02 0.00 -0.85 0.00 0.00 60.65 59.76 1rfx h LYS 15 Cb 0.27 -0.09 -0.04 0.00 -0.60 0.00 0.00 32.23 31.77 1rfx h LYS 15 CO -0.01 0.83 0.52 0.82 -3.45 0.00 0.00 179.45 178.17 1rfx h ILE 16 N 0.68 1.16 -0.42 2.00 2.04 -0.92 -0.68 117.51 121.37 1rfx h ILE 16 Ca 0.14 -0.36 -0.07 0.00 1.00 0.00 0.00 64.86 65.57 1rfx h ILE 16 Cb 0.43 0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.52 1rfx h ILE 16 CO 0.01 0.19 -0.01 0.50 0.00 0.00 0.00 178.15 178.85 1rfx h LYS 17 N 1.05 0.75 -0.54 2.37 1.63 -1.09 -0.24 116.57 120.50 1rfx h LYS 17 Ca 0.31 -0.24 -0.02 0.00 -0.85 0.00 0.00 60.65 59.84 1rfx h LYS 17 Cb -0.05 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 31.49 1rfx h LYS 17 CO -0.09 0.83 0.24 1.96 -3.45 0.00 0.00 179.45 178.94 1rfx h GLN 18 N 0.59 0.78 -0.66 1.90 4.20 -0.92 -1.24 115.11 119.77 1rfx h GLN 18 Ca 0.12 -0.13 -0.07 0.00 0.06 0.00 0.00 58.65 58.63 1rfx h GLN 18 Cb 0.50 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 28.11 1rfx h GLN 18 CO 0.02 0.66 0.13 -0.44 -0.67 0.00 0.00 178.83 178.54 1rfx h ASP 19 N 0.72 1.02 -0.00 1.46 5.19 -1.02 -0.55 116.42 123.23 1rfx h ASP 19 Ca 0.18 -0.25 0.01 0.00 -0.62 0.00 0.00 57.03 56.35 1rfx h ASP 19 Cb 0.15 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 39.38 1rfx h ASP 19 CO -0.02 1.00 -0.05 0.15 -3.12 0.00 0.00 179.24 177.21 1rfx h PHE 20 N 0.99 -0.12 -0.72 4.55 3.57 -0.75 0.18 116.94 124.63 1rfx h PHE 20 Ca 0.20 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.66 1rfx h PHE 20 Cb 0.40 0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.16 1rfx h PHE 20 CO 0.03 -0.08 0.28 -0.91 -2.23 0.00 0.00 178.31 175.40 1rfx h ASN 21 N -0.09 0.99 -0.32 0.41 2.35 -1.09 0.13 115.58 117.96 1rfx h ASN 21 Ca 0.02 -0.15 -0.02 0.00 -0.55 0.00 0.00 56.30 55.60 1rfx h ASN 21 Cb 0.11 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.21 1rfx h ASN 21 CO -0.05 0.88 0.12 -1.28 -1.65 0.00 0.00 177.43 175.45 1rfx h SER 22 N 1.05 0.45 1.26 5.81 0.87 -0.83 -3.32 113.55 118.84 1rfx h SER 22 Ca 0.24 -0.18 -0.00 0.00 -1.23 0.00 0.00 61.79 60.62 1rfx h SER 22 Cb 0.21 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 62.05 1rfx h SER 22 CO -0.02 0.51 -0.74 -0.07 -0.53 0.00 0.00 176.83 175.98 1rfx h LEU 23 N 0.37 0.00 -0.10 2.23 3.38 -0.26 -3.40 115.31 117.53 1rfx h LEU 23 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1rfx h LEU 23 Cb 0.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1rfx h LEU 23 CO -0.01 0.01 0.07 0.15 0.09 0.00 0.00 178.44 178.75 1rfx h PHE 24 N 0.00 0.13 -0.60 1.13 3.57 -0.85 -2.23 116.94 118.09 1rfx h PHE 24 Ca -0.00 0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.61 1rfx h PHE 24 Cb 1.01 -0.04 -0.08 0.00 2.79 0.00 0.00 35.95 39.62 1rfx h PHE 24 CO 0.00 0.09 0.15 -1.35 -2.23 0.00 0.00 178.31 174.97 1rfx h PRO 25 N 0.13 0.28 -0.05 6.41 0.11 -1.77 -1.30 132.00 135.80 1rfx h PRO 25 Ca 0.04 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 66.02 1rfx h PRO 25 Cb -0.00 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.03 1rfx h PRO 25 CO -0.01 0.18 -0.48 -0.91 -0.21 0.00 0.00 178.00 176.58 1rfx h ASN 26 N 0.28 0.13 -0.20 -2.05 2.35 -1.80 -2.81 115.58 111.49 1rfx h ASN 26 Ca 0.31 -0.06 -0.09 0.00 -0.55 0.00 0.00 56.30 55.91 1rfx h ASN 26 Cb 0.45 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.77 1rfx h ASN 26 CO -0.38 0.59 -0.17 0.00 -1.65 0.00 0.00 177.43 175.82 1rfx h ALA 27 N 1.42 1.07 -0.01 -0.83 0.00 -0.65 -3.18 119.26 117.07 1rfx h ALA 27 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1rfx h ALA 27 Cb 0.88 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1rfx h ALA 27 CO 0.07 0.57 -0.23 1.51 0.00 0.00 0.00 179.25 181.17 1rfx n ILE 28 N -4.15 0.00 0.31 0.00 3.06 -0.60 -4.38 119.36 113.59 1rfx n ILE 28 Ca 0.01 -0.24 0.19 0.00 -2.50 0.00 0.00 62.75 60.20 1rfx n ILE 28 Cb 0.37 0.82 0.98 0.00 0.54 0.00 0.00 39.64 42.35 1rfx n ILE 28 CO 0.00 0.00 0.00 0.07 -2.50 0.00 0.00 176.55 174.12 1rfx h LYS 29 N 2.31 0.00 -0.02 9.51 2.10 -1.48 -2.81 116.57 126.18 1rfx h LYS 29 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1rfx h LYS 29 Cb 0.65 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.98 1rfx h LYS 29 CO 0.00 0.02 -0.36 0.09 -2.00 0.00 0.00 179.45 177.20 1rfx n ASN 30 N -3.24 1.98 -4.75 7.07 3.02 -1.26 -4.87 115.26 113.21 1rfx n ASN 30 Ca -0.02 -1.48 -0.40 0.00 -0.03 0.00 0.00 54.58 52.65 1rfx n ASN 30 Cb 0.16 0.34 -0.06 0.00 -0.61 0.00 0.00 39.78 39.61 1rfx n ASN 30 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1rfx s ILE 31 N -2.40 4.25 0.23 2.41 2.07 -1.06 -0.69 121.20 126.02 1rfx s ILE 31 Ca 0.22 1.96 -0.18 0.00 -1.41 0.00 0.00 60.65 61.23 1rfx s ILE 31 Cb 0.19 -4.27 0.02 0.00 0.13 0.00 0.00 42.46 38.53 1rfx s ILE 31 CO 0.52 0.47 0.59 -0.83 -1.91 0.00 0.00 174.94 173.78 1rfx s GLY 32 N -0.93 -0.00 -0.18 1.50 0.00 -0.20 -4.97 107.32 102.54 1rfx s GLY 32 Ca 0.40 -0.34 -0.20 0.00 0.00 0.00 0.00 44.72 44.58 1rfx s GLY 32 CO 0.30 -0.24 0.61 -2.27 0.00 0.00 0.00 173.10 171.49 1rfx s LEU 33 N -2.91 4.17 -0.16 0.66 2.96 -1.26 -0.86 118.68 121.28 1rfx s LEU 33 Ca 0.12 0.84 0.00 0.00 -0.22 0.00 0.00 54.13 54.87 1rfx s LEU 33 Cb -0.03 -2.86 -0.00 0.00 0.50 0.00 0.00 46.19 43.80 1rfx s LEU 33 CO 0.02 -0.22 -0.15 0.21 -1.32 0.00 0.00 176.35 174.89 1rfx s ASN 34 N 1.11 3.67 0.09 3.68 3.04 -0.07 -4.97 114.94 121.49 1rfx s ASN 34 Ca 0.29 -0.47 0.08 0.00 0.04 0.00 0.00 52.86 52.80 1rfx s ASN 34 Cb -0.16 -1.57 -0.03 0.00 -1.54 0.00 0.00 41.25 37.95 1rfx s ASN 34 CO 0.11 0.08 -0.21 0.00 -3.04 0.00 0.00 177.10 174.04 1rfx s TRP 36 N -1.07 0.66 -0.10 0.00 -2.14 -0.02 -4.99 118.94 111.28 1rfx s TRP 36 Ca 0.07 -0.97 -0.00 0.00 2.66 0.00 0.00 56.10 57.86 1rfx s TRP 36 Cb -0.10 0.01 -0.03 0.00 -3.10 0.00 0.00 33.47 30.26 1rfx s TRP 36 CO 0.04 -0.98 -0.09 0.99 -2.66 0.00 0.00 176.95 174.25 1rfx s THR 37 N -3.77 3.51 -0.24 0.66 2.01 -1.26 -0.49 115.64 116.06 1rfx s THR 37 Ca 0.27 -0.53 -0.05 0.00 0.31 0.00 0.00 61.69 61.69 1rfx s THR 37 Cb 0.01 -2.46 -0.01 0.00 0.01 0.00 0.00 72.50 70.04 1rfx s THR 37 CO 0.12 0.56 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.91 1rfx s VAL 38 N -0.25 3.64 -0.06 3.82 1.01 0.23 -4.96 120.40 123.84 1rfx s VAL 38 Ca 0.03 -0.45 0.03 0.00 0.00 0.00 0.00 61.98 61.59 1rfx s VAL 38 Cb -0.13 -2.70 -0.03 0.00 0.00 0.00 0.00 36.38 33.53 1rfx s VAL 38 CO 0.03 0.36 -0.13 -0.44 0.00 0.00 0.00 175.10 174.92 1rfx s SER 39 N 1.51 4.14 0.01 3.32 0.01 -1.26 -0.46 113.70 120.96 1rfx s SER 39 Ca 0.05 -0.17 -0.02 0.00 1.31 0.00 0.00 55.95 57.12 1rfx s SER 39 Cb -0.15 -0.96 -0.01 0.00 0.21 0.00 0.00 66.02 65.12 1rfx s SER 39 CO -0.01 0.34 0.03 -0.44 0.41 0.00 0.00 173.24 173.56 1rfx s SER 40 N -0.67 0.12 0.39 2.44 0.01 0.16 -5.00 113.70 111.14 1rfx s SER 40 Ca 0.10 -0.28 -0.27 0.00 1.31 0.00 0.00 55.95 56.81 1rfx s SER 40 Cb -0.11 0.12 -0.10 0.00 0.21 0.00 0.00 66.02 66.14 1rfx s SER 40 CO 0.01 -0.23 1.41 -0.13 0.41 0.00 0.00 173.24 174.70 1rfx s ARG 41 N -1.03 4.04 0.32 12.44 0.52 -1.26 -0.80 118.95 133.17 1rfx s ARG 41 Ca -0.11 2.40 0.00 0.00 -0.52 0.00 0.00 55.73 57.50 1rfx s ARG 41 Cb -0.07 -2.88 0.00 0.00 0.52 0.00 0.00 34.95 32.52 1rfx s ARG 41 CO -0.00 -0.53 0.00 0.41 0.02 0.00 0.00 175.30 175.20 1rfx n GLY 42 N 0.58 -1.58 0.96 -3.53 0.00 0.56 -4.64 105.19 97.55 1rfx n GLY 42 Ca 0.02 -1.88 0.12 0.00 0.00 0.00 0.00 46.02 44.29 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 2.32 -4.59 1.61 5.02 -1.26 -2.47 118.16 118.78 1rfx n LYS 43 Ca 0.00 -1.92 -0.22 0.00 -2.02 0.00 0.00 58.31 54.14 1rfx n LYS 43 Cb 0.00 -1.47 -0.15 0.00 -0.02 0.00 0.00 35.03 33.39 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 -1.92 1.94 -0.05 -0.35 1.43 -1.26 -0.96 118.68 117.51 1rfx s LEU 44 Ca 0.30 -0.25 -0.01 0.00 -1.03 0.00 0.00 54.13 53.14 1rfx s LEU 44 Cb 0.20 -0.71 0.03 0.00 0.03 0.00 0.00 46.19 45.75 1rfx s LEU 44 CO 0.30 0.14 0.02 0.00 0.23 0.00 0.00 176.35 177.04 1rfx s ALA 45 N -0.11 0.43 -0.16 4.21 0.00 -0.71 -4.58 121.76 120.84 1rfx s ALA 45 Ca 0.01 0.06 -0.08 0.00 0.00 0.00 0.00 51.96 51.96 1rfx s ALA 45 Cb -0.07 -0.60 -0.04 0.00 0.00 0.00 0.00 23.12 22.41 1rfx s ALA 45 CO 0.00 -0.38 0.13 -1.12 0.00 0.00 0.00 175.76 174.39 1rfx s SER 46 N 1.82 6.23 0.27 0.00 0.01 -1.26 -0.84 113.70 119.93 1rfx s SER 46 Ca 0.02 0.34 -0.25 0.00 1.31 0.00 0.00 55.95 57.36 1rfx s SER 46 Cb -0.12 -2.05 -0.09 0.00 0.21 0.00 0.00 66.02 63.96 1rfx s SER 46 CO -0.04 0.30 0.87 0.00 0.41 0.00 0.00 173.24 174.79 1rfx s PRO 48 N -1.83 2.32 0.48 0.00 0.04 -1.26 -4.92 135.00 129.83 1rfx s PRO 48 Ca 0.46 1.38 -0.24 0.00 0.04 0.00 0.00 61.00 62.64 1rfx s PRO 48 Cb -0.19 -1.89 -0.08 0.00 0.04 0.00 0.00 34.50 32.38 1rfx s PRO 48 CO 0.24 -1.62 1.33 0.39 0.04 0.00 0.00 177.00 177.38 1rfx n GLU 49 N -3.05 1.89 -0.53 4.56 -0.58 -1.26 -2.27 120.64 119.41 1rfx n GLU 49 Ca 0.10 0.68 0.00 0.00 -0.42 0.00 0.00 57.16 57.53 1rfx n GLU 49 Cb 0.52 -2.51 0.00 0.00 -0.57 0.00 0.00 31.44 28.88 1rfx n GLU 49 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1rfx n GLY 50 N 0.75 0.76 3.33 0.62 0.00 -1.26 -5.05 105.19 104.34 1rfx n GLY 50 Ca 0.08 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.86 1.46 0.07 2.61 -4.23 -0.96 -4.75 115.64 106.98 1rfx s THR 51 Ca 0.00 -2.13 0.05 0.00 -1.18 0.00 0.00 61.69 58.43 1rfx s THR 51 Cb 0.00 -2.11 -0.04 0.00 1.34 0.00 0.00 72.50 71.70 1rfx s THR 51 CO 0.00 -0.54 -0.07 0.00 -0.54 0.00 0.00 174.62 173.47 1rfx s ALA 52 N -3.14 3.05 -0.34 3.99 0.00 0.18 -4.86 121.76 120.64 1rfx s ALA 52 Ca 0.23 -1.14 -0.21 0.00 0.00 0.00 0.00 51.96 50.83 1rfx s ALA 52 Cb 0.02 -1.04 0.00 0.00 0.00 0.00 0.00 23.12 22.11 1rfx s ALA 52 CO 0.06 0.65 0.69 0.08 0.00 0.00 0.00 175.76 177.24 1rfx s VAL 53 N -1.17 4.84 -0.05 0.00 1.01 -1.26 -0.84 120.40 122.93 1rfx s VAL 53 Ca 0.21 0.78 0.20 0.00 0.00 0.00 0.00 61.98 63.17 1rfx s VAL 53 Cb -0.11 -4.11 -0.30 0.00 0.00 0.00 0.00 36.38 31.86 1rfx s VAL 53 CO 0.13 -0.31 0.39 0.18 0.00 0.00 0.00 175.10 175.48 1rfx n LEU 54 N 6.14 0.00 -3.48 3.92 4.32 -0.38 -5.02 117.00 122.50 1rfx n LEU 54 Ca 0.01 0.00 -0.10 0.00 -0.02 0.00 0.00 56.01 55.89 1rfx n LEU 54 Cb 0.48 0.07 -0.02 0.00 -1.62 0.00 0.00 43.42 42.33 1rfx n LEU 54 CO 0.50 0.07 0.59 -0.55 -1.22 0.00 0.00 177.39 176.78 1rfx s SER 55 N -4.49 -0.45 0.07 -1.43 0.15 -1.23 -5.02 113.70 101.31 1rfx s SER 55 Ca -0.08 0.06 0.03 0.00 0.70 0.00 0.00 55.95 56.67 1rfx s SER 55 Cb 0.12 0.46 -0.03 0.00 -1.71 0.00 0.00 66.02 64.86 1rfx s SER 55 CO 0.83 -0.72 -0.10 0.00 1.20 0.00 0.00 173.24 174.46 1rfx s SER 57 N -1.97 0.60 -0.01 0.00 1.04 0.50 -4.98 113.70 108.88 1rfx s SER 57 Ca -0.02 -0.45 0.07 0.00 0.48 0.00 0.00 55.95 56.03 1rfx s SER 57 Cb -0.07 0.04 -0.02 0.00 0.10 0.00 0.00 66.02 66.07 1rfx s SER 57 CO 0.00 -0.19 -0.23 0.00 0.98 0.00 0.00 173.24 173.80 1rfx n GLY 59 N 2.27 1.56 2.78 0.00 0.00 0.45 -4.48 105.19 107.77 1rfx n GLY 59 Ca -0.16 0.74 -0.07 0.00 0.00 0.00 0.00 46.02 46.53 1rfx n GLY 59 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1rfx n SER 60 N 5.62 -7.57 -1.29 1.61 7.64 -1.26 -4.30 113.62 114.07 1rfx n SER 60 Ca 0.19 0.45 -0.08 0.00 1.01 0.00 0.00 58.87 60.43 1rfx n SER 60 Cb 0.35 -5.12 0.01 0.00 -1.01 0.00 0.00 64.21 58.44 1rfx n SER 60 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rfx n ALA 61 N -0.45 -0.37 -3.96 -0.43 0.00 -1.26 -5.02 120.51 109.03 1rfx n ALA 61 Ca 0.10 0.11 -0.29 0.00 0.00 0.00 0.00 53.44 53.36 1rfx n ALA 61 Cb 0.44 -1.78 -0.16 0.00 0.00 0.00 0.00 19.45 17.94 1rfx n ALA 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rfx n GLY 63 N 4.78 0.31 3.37 0.00 0.00 -1.26 -4.26 105.19 108.13 1rfx n GLY 63 Ca -0.14 -0.60 -0.40 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.22 5.65 0.09 1.61 0.01 -1.26 -5.05 113.70 112.52 1rfx s SER 64 Ca 0.26 -0.93 -0.05 0.00 1.31 0.00 0.00 55.95 56.54 1rfx s SER 64 Cb 0.19 -2.00 -0.02 0.00 0.21 0.00 0.00 66.02 64.40 1rfx s SER 64 CO 0.42 -0.35 0.10 -1.66 0.41 0.00 0.00 173.24 172.17 1rfx s TRP 65 N 1.55 0.38 0.12 2.43 1.48 -1.26 -1.16 118.94 122.48 1rfx s TRP 65 Ca 0.02 -0.84 -0.04 0.00 -1.06 0.00 0.00 56.10 54.18 1rfx s TRP 65 Cb -0.19 -0.22 -0.03 0.00 -1.16 0.00 0.00 33.47 31.87 1rfx s TRP 65 CO 0.06 -0.50 0.11 0.16 -4.06 0.00 0.00 176.95 172.73 1rfx s ASP 66 N -2.91 0.25 -0.16 -2.66 -4.77 -0.45 -4.98 116.67 100.99 1rfx s ASP 66 Ca 0.09 -1.04 -0.02 0.00 -3.30 0.00 0.00 52.55 48.27 1rfx s ASP 66 Cb 0.06 0.32 -0.02 0.00 -1.09 0.00 0.00 42.92 42.19 1rfx s ASP 66 CO -0.08 -0.75 -0.08 -0.63 0.70 0.00 0.00 175.17 174.33 1rfx s ILE 67 N -3.99 3.47 -0.10 2.11 1.01 -1.26 -0.31 121.20 122.13 1rfx s ILE 67 Ca 0.18 -0.50 -0.15 0.00 0.00 0.00 0.00 60.65 60.18 1rfx s ILE 67 Cb 0.06 -2.51 -0.05 0.00 0.01 0.00 0.00 42.46 39.98 1rfx s ILE 67 CO -0.02 0.49 0.37 -0.13 0.00 0.00 0.00 174.94 175.65 1rfx s ARG 68 N 0.54 4.14 -1.14 2.79 0.52 0.50 -4.45 118.95 121.84 1rfx s ARG 68 Ca -0.05 0.27 -0.06 0.00 -0.52 0.00 0.00 55.73 55.36 1rfx s ARG 68 Cb -0.15 -3.36 0.05 0.00 0.52 0.00 0.00 34.95 32.01 1rfx s ARG 68 CO 0.03 0.37 0.33 0.39 0.02 0.00 0.00 175.30 176.44 1rfx n GLU 69 N 3.03 -3.04 -2.54 3.54 -0.58 -1.26 -0.98 120.64 118.81 1rfx n GLU 69 Ca -0.12 0.47 -0.16 0.00 -0.42 0.00 0.00 57.16 56.93 1rfx n GLU 69 Cb 0.52 -5.14 -0.00 0.00 -0.57 0.00 0.00 31.44 26.25 1rfx n GLU 69 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1rfx n GLU 70 N -3.40 -2.37 0.00 3.49 -0.58 -1.26 -4.71 120.64 111.80 1rfx n GLU 70 Ca -0.05 0.73 0.00 0.00 -0.42 0.00 0.00 57.16 57.42 1rfx n GLU 70 Cb 0.56 -5.38 0.00 0.00 -0.57 0.00 0.00 31.44 26.05 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 -3.03 0.00 -4.08 3.49 4.81 -0.15 -4.45 118.16 114.76 1rfx n LYS 71 Ca -0.16 0.00 -0.32 0.00 -0.87 0.00 0.00 58.31 56.96 1rfx n LYS 71 Cb 0.63 -0.42 -0.16 0.00 0.02 0.00 0.00 35.03 35.10 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 1.94 0.15 3.15 1.01 -0.54 -0.87 120.40 124.24 1rfx s VAL 72 Ca 0.00 -1.02 -0.30 0.00 0.00 0.00 0.00 61.98 60.65 1rfx s VAL 72 Cb 0.00 -1.85 -0.08 0.00 0.00 0.00 0.00 36.38 34.45 1rfx s VAL 72 CO 0.00 0.37 1.31 0.00 0.00 0.00 0.00 175.10 176.78 1rfx s HIS 74 N 0.53 2.13 -0.09 0.00 5.04 0.58 -1.74 115.29 121.73 1rfx s HIS 74 Ca 0.59 -1.27 -0.22 0.00 -1.54 0.00 0.00 55.06 52.62 1rfx s HIS 74 Cb -0.35 -1.54 -0.04 0.00 0.04 0.00 0.00 32.58 30.69 1rfx s HIS 74 CO 0.34 -0.67 0.64 0.00 -2.34 0.00 0.00 174.74 172.71 1rfx n GLN 76 N 3.86 0.64 -1.80 0.00 6.02 -0.31 -4.87 117.38 120.91 1rfx n GLN 76 Ca -0.03 0.24 -0.34 0.00 -0.01 0.00 0.00 57.00 56.86 1rfx n GLN 76 Cb 0.51 -1.76 0.05 0.00 1.02 0.00 0.00 30.24 30.06 1rfx n GLN 76 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1rfx s ALA 78 N -1.95 3.54 -0.54 0.00 0.00 -1.26 -3.79 121.76 117.77 1rfx s ALA 78 Ca 0.73 1.30 -0.00 0.00 0.00 0.00 0.00 51.96 53.99 1rfx s ALA 78 Cb -0.26 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.34 1rfx s ALA 78 CO 0.38 -0.71 0.06 -2.13 0.00 0.00 0.00 175.76 173.37 1rfx n ARG 79 N 1.28 -0.85 -2.62 0.00 0.63 -1.26 -4.99 116.66 108.84 1rfx n ARG 79 Ca 0.02 0.31 -0.40 0.00 -0.92 0.00 0.00 57.85 56.86 1rfx n ARG 79 Cb 0.41 -4.08 -0.05 0.00 0.45 0.00 0.00 32.46 29.19 1rfx n ARG 79 CO 0.00 0.00 0.00 0.96 -2.51 0.00 0.00 177.63 176.08 1rfx s ILE 80 N -2.46 3.81 -0.03 5.15 -4.36 -1.25 -4.95 121.20 117.11 1rfx s ILE 80 Ca 0.03 1.78 -0.04 0.00 -0.26 0.00 0.00 60.65 62.16 1rfx s ILE 80 Cb -0.01 -4.11 -0.28 0.00 1.25 0.00 0.00 42.46 39.31 1rfx s ILE 80 CO 0.04 0.39 0.71 -2.24 0.24 0.00 0.00 174.94 174.08 1rfx h ASP 81 N 3.84 0.41 -4.50 4.36 -0.00 -1.81 -3.40 116.42 115.32 1rfx h ASP 81 Ca -0.46 -0.65 -0.13 0.00 -0.00 0.00 0.00 57.03 55.80 1rfx h ASP 81 Cb 1.21 -0.13 -0.22 0.00 -0.00 0.00 0.00 39.33 40.18 1rfx h ASP 81 CO 0.67 1.55 -0.30 0.26 -0.00 0.00 0.00 179.24 181.42 1rfx s TRP 82 N -2.60 -0.26 0.02 4.15 0.52 -1.22 -0.32 118.94 119.23 1rfx s TRP 82 Ca -0.12 0.54 0.07 0.00 0.02 0.00 0.00 56.10 56.60 1rfx s TRP 82 Cb 0.07 0.11 -0.02 0.00 -1.15 0.00 0.00 33.47 32.47 1rfx s TRP 82 CO 0.84 -0.30 -0.21 0.99 0.02 0.00 0.00 176.95 178.29 1rfx s THR 83 N -0.68 1.64 -0.04 2.01 2.01 0.02 -0.42 115.64 120.19 1rfx s THR 83 Ca -0.08 -1.04 0.03 0.00 0.31 0.00 0.00 61.69 60.91 1rfx s THR 83 Cb -0.04 -1.40 0.00 0.00 0.01 0.00 0.00 72.50 71.08 1rfx s THR 83 CO 0.03 0.32 -0.11 0.00 -0.69 0.00 0.00 174.62 174.17 1rfx s ALA 84 N -0.65 1.09 -0.10 7.40 0.00 -0.31 -0.67 121.76 128.53 1rfx s ALA 84 Ca 0.08 -0.43 -0.03 0.00 0.00 0.00 0.00 51.96 51.58 1rfx s ALA 84 Cb -0.08 -0.41 -0.03 0.00 0.00 0.00 0.00 23.12 22.59 1rfx s ALA 84 CO 0.01 0.17 0.01 0.00 0.00 0.00 0.00 175.76 175.94 1rfx s ALA 85 N 0.25 3.32 -0.42 0.00 0.00 0.40 -0.37 121.76 124.93 1rfx s ALA 85 Ca -0.05 -0.79 -0.15 0.00 0.00 0.00 0.00 51.96 50.96 1rfx s ALA 85 Cb -0.11 -1.54 0.03 0.00 0.00 0.00 0.00 23.12 21.51 1rfx s ALA 85 CO 0.01 0.56 0.34 0.50 0.00 0.00 0.00 175.76 177.17 1rfx s ARG 86 N -0.78 2.99 -0.11 0.00 6.06 0.18 -0.60 118.95 126.69 1rfx s ARG 86 Ca 0.12 -1.04 -0.02 0.00 -2.50 0.00 0.00 55.73 52.29 1rfx s ARG 86 Cb -0.12 -4.01 -0.03 0.00 0.06 0.00 0.00 34.95 30.86 1rfx s ARG 86 CO 0.02 -0.82 -0.02 0.00 -2.50 0.00 0.00 175.30 171.98 1rfx s LYS 89 N -2.50 0.88 0.13 0.00 -2.85 -0.06 -0.64 119.74 114.70 1rfx s LYS 89 Ca -0.05 -1.16 -0.25 0.00 -1.00 0.00 0.00 55.97 53.51 1rfx s LYS 89 Cb -0.03 0.30 -0.07 0.00 -2.06 0.00 0.00 37.83 35.97 1rfx s LYS 89 CO -0.04 -0.27 0.76 -0.51 0.10 0.00 0.00 175.35 175.39 1rfx s LEU 90 N -2.94 4.56 -0.02 2.77 1.43 -1.26 -0.89 118.68 122.33 1rfx s LEU 90 Ca 0.12 1.57 0.02 0.00 -1.03 0.00 0.00 54.13 54.82 1rfx s LEU 90 Cb 0.06 -3.25 -0.00 0.00 0.03 0.00 0.00 46.19 43.02 1rfx s LEU 90 CO -0.06 0.17 -0.09 -1.58 0.23 0.00 0.00 176.35 175.02 1rfx s GLN 91 N -0.88 0.84 -0.24 1.70 0.74 -0.04 -4.94 119.66 116.84 1rfx s GLN 91 Ca 0.36 -0.30 -0.06 0.00 0.05 0.00 0.00 55.36 55.41 1rfx s GLN 91 Cb -0.22 -0.80 -0.02 0.00 1.10 0.00 0.00 33.01 33.07 1rfx s GLN 91 CO 0.25 0.14 0.04 0.08 -0.55 0.00 0.00 175.29 175.24 1rfx s VAL 92 N 0.05 4.07 0.00 1.34 1.01 -1.26 -1.03 120.40 124.58 1rfx s VAL 92 Ca -0.01 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 61.72 1rfx s VAL 92 Cb -0.07 -2.88 0.00 0.00 0.00 0.00 0.00 36.38 33.43 1rfx s VAL 92 CO 0.00 0.37 0.00 0.00 0.00 0.00 0.00 175.10 175.47 1rfx n ALA 93 N 4.79 0.00 1.02 5.51 0.00 0.14 -4.98 120.51 127.00 1rfx n ALA 93 Ca -0.17 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.39 1rfx n ALA 93 Cb 0.51 0.00 0.12 0.00 0.00 0.00 0.00 19.45 20.08 1rfx n ALA 93 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93