#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 0.60 0.06 0.00 0.13 -2.05 0.49 132.00 131.22 1rfx h PRO 7 Ca 0.00 -0.04 -0.00 0.00 -0.87 0.00 0.00 66.00 65.09 1rfx h PRO 7 Cb 0.00 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 30.99 1rfx h PRO 7 CO 0.00 0.40 -0.03 0.82 -0.23 0.00 0.00 178.00 178.96 1rfx h ILE 8 N 0.62 1.28 -0.77 -3.56 2.04 -2.05 -2.16 117.51 112.91 1rfx h ILE 8 Ca 0.32 -1.45 0.16 0.00 1.00 0.00 0.00 64.86 64.89 1rfx h ILE 8 Cb 0.44 2.18 -0.10 0.00 -0.74 0.00 0.00 36.82 38.59 1rfx h ILE 8 CO -0.11 0.35 0.28 0.44 0.00 0.00 0.00 178.15 179.11 1rfx h ASP 9 N -0.76 0.21 -0.54 1.72 5.19 -1.87 -0.88 116.42 119.49 1rfx h ASP 9 Ca -0.01 0.13 -0.04 0.00 -0.62 0.00 0.00 57.03 56.49 1rfx h ASP 9 Cb 0.62 0.13 -0.02 0.00 0.18 0.00 0.00 39.33 40.24 1rfx h ASP 9 CO 0.01 0.05 0.19 -0.08 -3.12 0.00 0.00 179.24 176.29 1rfx h GLU 10 N 0.39 0.82 -0.56 3.56 4.81 -0.05 0.28 114.58 123.83 1rfx h GLU 10 Ca 0.44 -0.17 -0.09 0.00 -0.13 0.00 0.00 59.36 59.41 1rfx h GLU 10 Cb 0.72 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.95 1rfx h GLU 10 CO -0.45 0.74 0.00 0.00 -0.73 0.00 0.00 179.01 178.57 1rfx h ALA 11 N 1.04 0.95 -0.23 2.92 0.00 -0.81 -1.40 119.26 121.73 1rfx h ALA 11 Ca 0.18 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 1rfx h ALA 11 Cb 0.25 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1rfx h ALA 11 CO -0.01 0.64 -0.25 0.82 0.00 0.00 0.00 179.25 180.45 1rfx h ILE 12 N 0.89 1.32 -0.63 0.00 2.04 -0.85 -2.43 117.51 117.85 1rfx h ILE 12 Ca 0.16 -1.42 0.10 0.00 1.00 0.00 0.00 64.86 64.70 1rfx h ILE 12 Cb 0.52 1.72 -0.08 0.00 -0.74 0.00 0.00 36.82 38.24 1rfx h ILE 12 CO 0.03 0.44 0.23 -0.78 0.00 0.00 0.00 178.15 178.07 1rfx h ASP 13 N 0.27 0.21 -0.51 1.72 3.58 -0.35 -0.26 116.42 121.09 1rfx h ASP 13 Ca 0.03 0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.57 1rfx h ASP 13 Cb 0.81 0.07 -0.03 0.00 1.72 0.00 0.00 39.33 41.91 1rfx h ASP 13 CO 0.06 0.12 0.33 0.50 -2.88 0.00 0.00 179.24 177.37 1rfx h LYS 14 N 0.40 0.67 -0.51 0.28 3.64 -1.17 -1.94 116.57 117.94 1rfx h LYS 14 Ca 0.32 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.62 1rfx h LYS 14 Cb 0.42 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 1rfx h LYS 14 CO -0.33 0.45 0.19 -0.22 -2.27 0.00 0.00 179.45 177.28 1rfx h LYS 15 N 0.69 0.77 -0.13 1.90 1.63 -0.87 -1.23 116.57 119.33 1rfx h LYS 15 Ca 0.19 -0.15 0.03 0.00 -0.85 0.00 0.00 60.65 59.87 1rfx h LYS 15 Cb -0.07 -0.12 -0.03 0.00 -0.60 0.00 0.00 32.23 31.42 1rfx h LYS 15 CO -0.04 0.69 -0.04 0.82 -3.45 0.00 0.00 179.45 177.43 1rfx h ILE 16 N 0.69 0.84 -0.86 2.00 2.04 -0.90 -0.31 117.51 121.02 1rfx h ILE 16 Ca 0.17 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.02 1rfx h ILE 16 Cb 0.22 0.84 -0.04 0.00 -0.74 0.00 0.00 36.82 37.09 1rfx h ILE 16 CO -0.01 0.00 0.52 0.11 0.00 0.00 0.00 178.15 178.77 1rfx h LYS 17 N -0.02 1.16 -0.28 2.37 1.57 -1.22 0.94 116.57 121.10 1rfx h LYS 17 Ca 0.07 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1rfx h LYS 17 Cb 0.12 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 1rfx h LYS 17 CO -0.15 0.81 0.18 1.96 -0.57 0.00 0.00 179.45 181.69 1rfx h GLN 18 N 1.18 0.35 -0.21 3.15 4.20 -0.93 -1.25 115.11 121.61 1rfx h GLN 18 Ca 0.31 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.98 1rfx h GLN 18 Cb -0.05 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.64 1rfx h GLN 18 CO -0.06 0.23 0.08 -0.44 -0.67 0.00 0.00 178.83 177.97 1rfx h ASP 19 N 0.36 0.30 -0.45 1.46 5.19 -0.56 -3.04 116.42 119.68 1rfx h ASP 19 Ca 0.10 -0.18 -0.01 0.00 -0.62 0.00 0.00 57.03 56.33 1rfx h ASP 19 Cb -0.03 -0.08 -0.02 0.00 0.18 0.00 0.00 39.33 39.38 1rfx h ASP 19 CO -0.03 0.40 0.27 -0.26 -3.12 0.00 0.00 179.24 176.50 1rfx h PHE 20 N 0.18 0.61 -0.24 4.55 0.05 -0.72 -0.61 116.94 120.77 1rfx h PHE 20 Ca 0.07 0.00 0.07 0.00 3.82 0.00 0.00 57.97 61.93 1rfx h PHE 20 Cb 0.20 -0.20 -0.01 0.00 2.00 0.00 0.00 35.95 37.94 1rfx h PHE 20 CO -0.01 0.42 0.20 -0.91 -0.18 0.00 0.00 178.31 177.83 1rfx h ASN 21 N 0.64 0.00 0.08 2.17 -0.26 -1.11 -0.55 115.58 116.56 1rfx h ASN 21 Ca 0.17 0.00 -0.37 0.00 -0.56 0.00 0.00 56.30 55.54 1rfx h ASN 21 Cb -0.00 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 37.23 1rfx h ASN 21 CO -0.03 0.00 -2.12 -1.54 -1.06 0.00 0.00 177.43 172.68 1rfx n SER 22 N -4.25 2.07 -0.12 5.81 3.41 -0.74 -4.49 113.62 115.32 1rfx n SER 22 Ca 0.03 0.12 -0.08 0.00 -0.26 0.00 0.00 58.87 58.68 1rfx n SER 22 Cb 0.34 -0.73 0.08 0.00 -0.26 0.00 0.00 64.21 63.64 1rfx n SER 22 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1rfx h LEU 23 N -0.03 0.85 0.46 1.04 3.38 -0.87 -3.27 115.31 116.88 1rfx h LEU 23 Ca -0.47 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.19 1rfx h LEU 23 Cb 1.95 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 42.47 1rfx h LEU 23 CO 0.01 1.01 -0.22 -0.26 0.09 0.00 0.00 178.44 179.06 1rfx h PHE 24 N 0.76 -0.58 -0.54 1.13 0.05 -1.34 -2.64 116.94 113.78 1rfx h PHE 24 Ca 0.12 -0.01 0.09 0.00 3.82 0.00 0.00 57.97 61.98 1rfx h PHE 24 Cb 0.68 0.19 -0.07 0.00 2.00 0.00 0.00 35.95 38.74 1rfx h PHE 24 CO 0.04 -0.26 0.14 -1.35 -0.18 0.00 0.00 178.31 176.70 1rfx h PRO 25 N -0.87 0.28 -0.73 1.51 0.11 -1.79 -0.07 132.00 130.44 1rfx h PRO 25 Ca -0.06 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.97 1rfx h PRO 25 Cb 0.58 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 31.59 1rfx h PRO 25 CO 0.10 0.19 0.24 -0.91 -0.21 0.00 0.00 178.00 177.41 1rfx h ASN 26 N 0.29 1.04 -0.25 -2.05 2.35 -1.61 -1.58 115.58 113.77 1rfx h ASN 26 Ca 0.28 -0.19 -0.15 0.00 -0.55 0.00 0.00 56.30 55.69 1rfx h ASN 26 Cb 0.37 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.46 1rfx h ASN 26 CO -0.33 0.96 -0.41 0.00 -1.65 0.00 0.00 177.43 176.00 1rfx h ALA 27 N 1.18 0.39 -0.73 -0.83 0.00 -1.06 -3.17 119.26 115.03 1rfx h ALA 27 Ca 0.24 -0.46 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 1rfx h ALA 27 Cb 0.29 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1rfx h ALA 27 CO -0.01 0.50 0.21 0.82 0.00 0.00 0.00 179.25 180.77 1rfx h ILE 28 N 0.45 1.26 0.00 0.00 2.04 -0.82 -2.42 117.51 118.03 1rfx h ILE 28 Ca 0.02 -0.93 0.00 0.00 1.00 0.00 0.00 64.86 64.95 1rfx h ILE 28 Cb 1.01 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 37.56 1rfx h ILE 28 CO 0.09 0.36 0.00 0.07 0.00 0.00 0.00 178.15 178.68 1rfx h LYS 29 N 1.10 0.00 -0.02 2.37 2.10 -1.32 -2.48 116.57 118.33 1rfx h LYS 29 Ca 0.24 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.89 1rfx h LYS 29 Cb 0.33 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.66 1rfx h LYS 29 CO -0.00 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.54 1rfx n ASN 30 N -2.98 1.74 -4.75 7.07 3.02 -0.91 -4.88 115.26 113.56 1rfx n ASN 30 Ca -0.00 -1.58 -0.41 0.00 -0.03 0.00 0.00 54.58 52.56 1rfx n ASN 30 Cb 0.24 -0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.38 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 -2.00 3.31 0.49 2.41 1.01 -0.93 -1.24 121.20 124.23 1rfx s ILE 31 Ca 0.36 1.21 0.02 0.00 0.00 0.00 0.00 60.65 62.25 1rfx s ILE 31 Cb 0.21 -3.77 -0.02 0.00 0.01 0.00 0.00 42.46 38.88 1rfx s ILE 31 CO 0.33 0.25 0.01 -0.83 0.00 0.00 0.00 174.94 174.70 1rfx s GLY 32 N -0.33 2.91 -0.17 6.18 0.00 0.44 -4.85 107.32 111.51 1rfx s GLY 32 Ca 0.50 -0.75 -0.00 0.00 0.00 0.00 0.00 44.72 44.46 1rfx s GLY 32 CO 0.42 -2.16 -0.15 -2.27 0.00 0.00 0.00 173.10 168.94 1rfx s LEU 33 N -3.83 2.43 -0.21 0.66 2.96 -1.26 -0.29 118.68 119.14 1rfx s LEU 33 Ca 0.12 -0.51 -0.01 0.00 -0.22 0.00 0.00 54.13 53.50 1rfx s LEU 33 Cb 0.03 -1.56 0.01 0.00 0.50 0.00 0.00 46.19 45.17 1rfx s LEU 33 CO 0.06 0.04 -0.12 0.21 -1.32 0.00 0.00 176.35 175.23 1rfx s ASN 34 N 1.06 3.80 -0.02 3.68 2.47 0.82 -4.93 114.94 121.82 1rfx s ASN 34 Ca -0.01 -0.64 0.05 0.00 0.42 0.00 0.00 52.86 52.68 1rfx s ASN 34 Cb -0.15 -1.60 -0.01 0.00 -1.45 0.00 0.00 41.25 38.04 1rfx s ASN 34 CO -0.04 -0.04 -0.16 0.00 -3.72 0.00 0.00 177.10 173.13 1rfx s TRP 36 N -0.23 0.89 -0.11 0.00 -2.14 -0.05 -4.98 118.94 112.32 1rfx s TRP 36 Ca 0.03 -1.15 0.01 0.00 2.66 0.00 0.00 56.10 57.66 1rfx s TRP 36 Cb -0.08 -0.25 -0.02 0.00 -3.10 0.00 0.00 33.47 30.02 1rfx s TRP 36 CO 0.00 -0.82 -0.15 0.99 -2.66 0.00 0.00 176.95 174.31 1rfx s THR 37 N -3.99 2.88 -0.23 0.66 2.01 -1.26 -0.46 115.64 115.24 1rfx s THR 37 Ca 0.32 -0.74 -0.05 0.00 0.31 0.00 0.00 61.69 61.53 1rfx s THR 37 Cb 0.03 -2.17 -0.02 0.00 0.01 0.00 0.00 72.50 70.36 1rfx s THR 37 CO 0.12 0.54 0.01 -0.69 -0.69 0.00 0.00 174.62 173.92 1rfx s VAL 38 N 0.10 3.79 0.15 3.82 1.01 0.12 -4.96 120.40 124.43 1rfx s VAL 38 Ca -0.07 -0.36 0.08 0.00 0.00 0.00 0.00 61.98 61.64 1rfx s VAL 38 Cb -0.15 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.44 1rfx s VAL 38 CO 0.05 0.38 -0.11 -0.94 0.00 0.00 0.00 175.10 174.48 1rfx s SER 39 N 1.54 4.23 -0.05 3.32 1.04 -1.26 -0.42 113.70 122.09 1rfx s SER 39 Ca 0.06 -0.52 -0.13 0.00 0.48 0.00 0.00 55.95 55.84 1rfx s SER 39 Cb -0.15 -0.72 0.02 0.00 0.10 0.00 0.00 66.02 65.28 1rfx s SER 39 CO -0.00 0.14 0.30 -0.44 0.98 0.00 0.00 173.24 174.21 1rfx s SER 40 N -2.55 -0.22 0.50 7.02 0.01 -0.06 -4.99 113.70 113.41 1rfx s SER 40 Ca 0.23 0.24 -0.23 0.00 1.31 0.00 0.00 55.95 57.50 1rfx s SER 40 Cb -0.10 0.41 -0.06 0.00 0.21 0.00 0.00 66.02 66.49 1rfx s SER 40 CO 0.14 -0.33 1.32 -0.13 0.41 0.00 0.00 173.24 174.65 1rfx s ARG 41 N -0.84 3.40 0.84 12.44 0.52 -1.26 -1.30 118.95 132.76 1rfx s ARG 41 Ca -0.09 2.14 0.00 0.00 -0.52 0.00 0.00 55.73 57.26 1rfx s ARG 41 Cb -0.04 -2.37 0.00 0.00 0.52 0.00 0.00 34.95 33.05 1rfx s ARG 41 CO 0.03 -0.95 0.00 0.41 0.02 0.00 0.00 175.30 174.81 1rfx n GLY 42 N 0.64 -1.50 0.81 -3.53 0.00 -0.31 -4.65 105.19 96.66 1rfx n GLY 42 Ca 0.09 -1.71 0.11 0.00 0.00 0.00 0.00 46.02 44.51 1rfx n GLY 42 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1rfx n LYS 43 N 0.00 1.94 -4.54 1.61 2.85 -1.26 -2.86 118.16 115.91 1rfx n LYS 43 Ca 0.00 -1.66 -0.22 0.00 -1.05 0.00 0.00 58.31 55.38 1rfx n LYS 43 Cb 0.00 -1.43 -0.14 0.00 -0.65 0.00 0.00 35.03 32.81 1rfx n LYS 43 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1rfx s LEU 44 N -1.94 2.13 -0.03 -5.58 1.43 -1.26 -0.77 118.68 112.65 1rfx s LEU 44 Ca 0.24 -0.42 -0.00 0.00 -1.03 0.00 0.00 54.13 52.92 1rfx s LEU 44 Cb 0.18 -0.76 0.03 0.00 0.03 0.00 0.00 46.19 45.67 1rfx s LEU 44 CO 0.32 0.11 0.02 0.00 0.23 0.00 0.00 176.35 177.04 1rfx s ALA 45 N -0.69 0.20 -0.14 4.21 0.00 -0.47 -4.60 121.76 120.28 1rfx s ALA 45 Ca 0.04 0.23 -0.03 0.00 0.00 0.00 0.00 51.96 52.21 1rfx s ALA 45 Cb -0.07 -0.34 -0.03 0.00 0.00 0.00 0.00 23.12 22.68 1rfx s ALA 45 CO 0.01 -0.16 -0.05 -1.12 0.00 0.00 0.00 175.76 174.44 1rfx s SER 46 N 1.22 4.67 0.37 0.00 0.01 -1.26 -0.67 113.70 118.04 1rfx s SER 46 Ca -0.07 -0.14 -0.25 0.00 1.31 0.00 0.00 55.95 56.80 1rfx s SER 46 Cb -0.13 -1.67 -0.09 0.00 0.21 0.00 0.00 66.02 64.33 1rfx s SER 46 CO -0.03 0.20 1.03 0.00 0.41 0.00 0.00 173.24 174.85 1rfx s PRO 48 N -2.33 2.59 0.19 0.00 0.04 -1.26 -4.92 135.00 129.31 1rfx s PRO 48 Ca 0.55 1.81 -0.33 0.00 0.04 0.00 0.00 61.00 63.07 1rfx s PRO 48 Cb -0.22 -1.88 -0.14 0.00 0.04 0.00 0.00 34.50 32.30 1rfx s PRO 48 CO 0.27 -1.50 1.37 -1.91 0.04 0.00 0.00 177.00 175.27 1rfx n GLU 49 N -2.11 1.74 0.00 4.56 2.13 -1.26 -2.00 120.64 123.69 1rfx n GLU 49 Ca 0.14 0.62 0.00 0.00 0.66 0.00 0.00 57.16 58.58 1rfx n GLU 49 Cb 0.50 -2.26 0.00 0.00 0.27 0.00 0.00 31.44 29.95 1rfx n GLU 49 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1rfx n GLY 50 N 2.39 0.31 3.34 8.31 0.00 -1.26 -5.08 105.19 113.20 1rfx n GLY 50 Ca 0.14 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.00 1.32 0.18 2.61 -4.23 -0.85 -4.67 115.64 107.99 1rfx s THR 51 Ca 0.00 -2.09 0.11 0.00 -1.18 0.00 0.00 61.69 58.53 1rfx s THR 51 Cb 0.00 -2.25 -0.04 0.00 1.34 0.00 0.00 72.50 71.55 1rfx s THR 51 CO 0.00 -0.43 -0.20 0.00 -0.54 0.00 0.00 174.62 173.45 1rfx s ALA 52 N -3.23 2.63 -0.10 3.99 0.00 -0.82 -4.83 121.76 119.41 1rfx s ALA 52 Ca 0.26 -1.56 -0.30 0.00 0.00 0.00 0.00 51.96 50.37 1rfx s ALA 52 Cb 0.04 -0.46 -0.03 0.00 0.00 0.00 0.00 23.12 22.66 1rfx s ALA 52 CO 0.08 0.47 1.33 0.08 0.00 0.00 0.00 175.76 177.71 1rfx s VAL 53 N -1.57 4.07 -0.16 0.00 1.01 -0.64 -1.35 120.40 121.76 1rfx s VAL 53 Ca 0.21 1.36 0.02 0.00 0.00 0.00 0.00 61.98 63.57 1rfx s VAL 53 Cb -0.09 -3.87 -0.23 0.00 0.00 0.00 0.00 36.38 32.19 1rfx s VAL 53 CO 0.11 -0.07 0.19 0.18 0.00 0.00 0.00 175.10 175.50 1rfx n LEU 54 N 6.14 2.13 -3.75 3.92 7.99 0.72 -4.93 117.00 129.21 1rfx n LEU 54 Ca 0.14 0.11 -0.08 0.00 -0.01 0.00 0.00 56.01 56.16 1rfx n LEU 54 Cb 0.45 -0.64 -0.02 0.00 -0.11 0.00 0.00 43.42 43.09 1rfx n LEU 54 CO 0.57 0.76 0.47 -0.94 -1.51 0.00 0.00 177.39 176.75 1rfx s SER 55 N -6.53 -0.33 0.11 -1.43 1.04 -1.23 -5.03 113.70 100.30 1rfx s SER 55 Ca -0.22 -0.45 0.04 0.00 0.48 0.00 0.00 55.95 55.81 1rfx s SER 55 Cb 0.07 0.68 -0.04 0.00 0.10 0.00 0.00 66.02 66.84 1rfx s SER 55 CO 0.73 -1.22 -0.11 0.00 0.98 0.00 0.00 173.24 173.61 1rfx s SER 57 N -2.49 1.24 0.03 0.00 0.15 -0.23 -5.00 113.70 107.41 1rfx s SER 57 Ca 0.07 -0.68 0.04 0.00 0.70 0.00 0.00 55.95 56.09 1rfx s SER 57 Cb -0.03 0.01 -0.02 0.00 -1.71 0.00 0.00 66.02 64.27 1rfx s SER 57 CO 0.01 -0.21 -0.12 0.00 1.20 0.00 0.00 173.24 174.12 1rfx s GLY 59 N -1.06 1.61 -1.53 0.00 0.00 -0.26 -4.17 107.32 101.91 1rfx s GLY 59 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 44.72 43.90 1rfx s GLY 59 CO 0.01 -0.05 0.00 -1.26 0.00 0.00 0.00 173.10 171.80 1rfx n SER 60 N -4.35 -5.17 -0.94 1.64 2.88 -1.26 -1.48 113.62 104.94 1rfx n SER 60 Ca 0.11 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.57 1rfx n SER 60 Cb 0.59 -4.25 -0.03 0.00 -0.75 0.00 0.00 64.21 59.77 1rfx n SER 60 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1rfx n ALA 61 N -1.73 -0.12 -1.68 -1.46 0.00 -1.26 -4.89 120.51 109.38 1rfx n ALA 61 Ca -0.21 0.12 -0.43 0.00 0.00 0.00 0.00 53.44 52.93 1rfx n ALA 61 Cb 0.66 -1.06 -0.03 0.00 0.00 0.00 0.00 19.45 19.02 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 4.39 2.84 3.21 0.00 0.00 -1.26 -4.33 105.19 110.05 1rfx n GLY 63 Ca 0.19 -0.62 -0.36 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.09 5.13 0.15 1.61 0.01 -1.26 -5.07 113.70 113.18 1rfx s SER 64 Ca 0.35 -1.33 -0.11 0.00 1.31 0.00 0.00 55.95 56.18 1rfx s SER 64 Cb 0.21 -1.80 0.00 0.00 0.21 0.00 0.00 66.02 64.64 1rfx s SER 64 CO 0.20 -0.33 0.32 -1.66 0.41 0.00 0.00 173.24 172.19 1rfx s TRP 65 N 1.30 0.19 0.10 2.43 1.48 -1.26 -0.66 118.94 122.52 1rfx s TRP 65 Ca -0.02 -0.56 -0.03 0.00 -1.06 0.00 0.00 56.10 54.44 1rfx s TRP 65 Cb -0.20 0.06 -0.03 0.00 -1.16 0.00 0.00 33.47 32.14 1rfx s TRP 65 CO 0.00 -0.72 0.06 0.16 -4.06 0.00 0.00 176.95 172.39 1rfx s ASP 66 N -2.91 0.34 -0.21 -2.66 -4.77 -0.44 -4.98 116.67 101.04 1rfx s ASP 66 Ca 0.12 -1.03 -0.05 0.00 -3.30 0.00 0.00 52.55 48.29 1rfx s ASP 66 Cb 0.03 0.27 -0.02 0.00 -1.09 0.00 0.00 42.92 42.11 1rfx s ASP 66 CO -0.04 -0.69 -0.02 -0.63 0.70 0.00 0.00 175.17 174.49 1rfx s ILE 67 N -3.97 3.73 -0.35 2.11 1.01 -1.26 -0.91 121.20 121.57 1rfx s ILE 67 Ca 0.15 -0.38 -0.21 0.00 0.00 0.00 0.00 60.65 60.20 1rfx s ILE 67 Cb 0.07 -2.69 0.00 0.00 0.01 0.00 0.00 42.46 39.85 1rfx s ILE 67 CO -0.04 0.42 0.65 -0.13 0.00 0.00 0.00 174.94 175.84 1rfx s ARG 68 N 1.17 3.73 -1.60 2.79 0.52 0.53 -4.55 118.95 121.54 1rfx s ARG 68 Ca 0.03 0.13 -0.10 0.00 -0.52 0.00 0.00 55.73 55.27 1rfx s ARG 68 Cb -0.14 -3.79 0.09 0.00 0.52 0.00 0.00 34.95 31.62 1rfx s ARG 68 CO 0.01 -0.72 0.54 0.39 0.02 0.00 0.00 175.30 175.54 1rfx n GLU 69 N 6.05 -2.75 -1.33 3.54 -0.58 -1.26 -1.57 120.64 122.75 1rfx n GLU 69 Ca -0.01 0.33 -0.11 0.00 -0.42 0.00 0.00 57.16 56.95 1rfx n GLU 69 Cb 0.49 -4.68 -0.05 0.00 -0.57 0.00 0.00 31.44 26.63 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 -4.40 -1.69 0.00 3.49 1.02 -1.26 -4.74 120.64 113.06 1rfx n GLU 70 Ca -0.11 0.89 0.00 0.00 -0.02 0.00 0.00 57.16 57.93 1rfx n GLU 70 Cb 0.58 -5.32 0.00 0.00 -0.02 0.00 0.00 31.44 26.68 1rfx n GLU 70 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1rfx n LYS 71 N -0.85 1.42 -4.42 3.49 4.81 -0.61 -1.63 118.16 120.37 1rfx n LYS 71 Ca -0.11 0.00 -0.25 0.00 -0.87 0.00 0.00 58.31 57.08 1rfx n LYS 71 Cb 0.60 -0.79 -0.17 0.00 0.02 0.00 0.00 35.03 34.69 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 -1.58 1.07 -0.02 3.15 1.01 -0.92 -1.16 120.40 121.95 1rfx s VAL 72 Ca 0.00 -0.42 -0.26 0.00 0.00 0.00 0.00 61.98 61.31 1rfx s VAL 72 Cb 0.00 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 1rfx s VAL 72 CO 0.00 0.35 0.79 0.00 0.00 0.00 0.00 175.10 176.24 1rfx s HIS 74 N 0.67 2.84 -0.11 0.00 5.04 -0.08 -1.37 115.29 122.28 1rfx s HIS 74 Ca 0.42 -1.92 -0.23 0.00 -1.54 0.00 0.00 55.06 51.79 1rfx s HIS 74 Cb -0.19 -1.81 -0.03 0.00 0.04 0.00 0.00 32.58 30.58 1rfx s HIS 74 CO 0.22 -0.82 0.68 0.00 -2.34 0.00 0.00 174.74 172.48 1rfx n GLN 76 N 4.14 0.09 -2.34 0.00 6.02 0.16 -4.79 117.38 120.66 1rfx n GLN 76 Ca -0.01 -0.02 -0.36 0.00 -0.01 0.00 0.00 57.00 56.60 1rfx n GLN 76 Cb 0.51 -1.51 -0.01 0.00 1.02 0.00 0.00 30.24 30.24 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 1.65 0.79 -2.83 0.00 0.00 -2.00 -3.34 119.26 113.54 1rfx h ALA 78 Ca -0.50 -0.09 -0.71 0.00 0.00 0.00 0.00 54.91 53.61 1rfx h ALA 78 Cb 1.25 -0.25 -0.29 0.00 0.00 0.00 0.00 17.79 18.50 1rfx h ALA 78 CO 0.59 0.29 -0.48 1.03 0.00 0.00 0.00 179.25 180.68 1rfx s ARG 79 N -5.91 2.52 -0.08 0.00 3.00 -1.26 -5.05 118.95 112.17 1rfx s ARG 79 Ca -0.13 -1.53 -0.00 0.00 0.00 0.00 0.00 55.73 54.07 1rfx s ARG 79 Cb 0.13 -3.75 0.02 0.00 0.00 0.00 0.00 34.95 31.35 1rfx s ARG 79 CO 0.77 -0.98 -0.05 -1.50 0.00 0.00 0.00 175.30 173.54 1rfx s ILE 80 N 1.38 0.71 -0.05 1.52 -1.16 -1.25 -4.93 121.20 117.41 1rfx s ILE 80 Ca 0.04 -0.14 -0.11 0.00 -0.51 0.00 0.00 60.65 59.92 1rfx s ILE 80 Cb -0.23 -0.76 -0.31 0.00 0.61 0.00 0.00 42.46 41.77 1rfx s ILE 80 CO 0.01 0.30 0.65 -2.24 -2.81 0.00 0.00 174.94 170.85 1rfx h ASP 81 N 7.82 0.61 -5.13 4.50 2.03 -1.87 -3.38 116.42 121.01 1rfx h ASP 81 Ca -0.29 -0.94 -0.09 0.00 -0.73 0.00 0.00 57.03 54.99 1rfx h ASP 81 Cb 1.14 -0.20 -0.15 0.00 -0.83 0.00 0.00 39.33 39.30 1rfx h ASP 81 CO 0.39 1.79 -0.33 -1.66 -1.03 0.00 0.00 179.24 178.39 1rfx s TRP 82 N -2.57 0.08 -0.01 4.15 1.48 -1.25 -1.16 118.94 119.67 1rfx s TRP 82 Ca -0.16 -0.45 0.02 0.00 -1.06 0.00 0.00 56.10 54.44 1rfx s TRP 82 Cb 0.05 -0.01 -0.00 0.00 -1.16 0.00 0.00 33.47 32.35 1rfx s TRP 82 CO 0.85 -0.54 -0.07 0.99 -4.06 0.00 0.00 176.95 174.12 1rfx s THR 83 N -3.58 0.53 -0.03 0.66 2.01 -0.42 -1.10 115.64 113.72 1rfx s THR 83 Ca 0.03 -0.27 0.03 0.00 0.31 0.00 0.00 61.69 61.78 1rfx s THR 83 Cb 0.03 -0.46 0.00 0.00 0.01 0.00 0.00 72.50 72.09 1rfx s THR 83 CO -0.10 0.16 -0.10 0.00 -0.69 0.00 0.00 174.62 173.89 1rfx s ALA 84 N -0.06 0.97 -0.11 7.40 0.00 0.20 -0.89 121.76 129.27 1rfx s ALA 84 Ca 0.01 -0.40 -0.01 0.00 0.00 0.00 0.00 51.96 51.57 1rfx s ALA 84 Cb -0.04 -0.34 -0.02 0.00 0.00 0.00 0.00 23.12 22.72 1rfx s ALA 84 CO -0.00 0.17 -0.09 0.00 0.00 0.00 0.00 175.76 175.84 1rfx s ALA 85 N 0.12 2.83 -0.31 0.00 0.00 0.43 -1.06 121.76 123.78 1rfx s ALA 85 Ca -0.02 -0.88 -0.18 0.00 0.00 0.00 0.00 51.96 50.88 1rfx s ALA 85 Cb -0.09 -1.30 -0.02 0.00 0.00 0.00 0.00 23.12 21.72 1rfx s ALA 85 CO 0.01 0.35 0.50 0.50 0.00 0.00 0.00 175.76 177.12 1rfx s ARG 86 N -0.04 3.82 -0.09 0.00 6.06 -0.40 -0.70 118.95 127.59 1rfx s ARG 86 Ca -0.01 0.03 0.03 0.00 -2.50 0.00 0.00 55.73 53.27 1rfx s ARG 86 Cb -0.14 -3.74 -0.01 0.00 0.06 0.00 0.00 34.95 31.12 1rfx s ARG 86 CO 0.03 -0.51 -0.17 0.00 -2.50 0.00 0.00 175.30 172.15 1rfx s LYS 89 N -1.60 1.01 0.48 0.00 -2.85 -0.09 -1.95 119.74 114.74 1rfx s LYS 89 Ca -0.10 -0.97 -0.20 0.00 -1.00 0.00 0.00 55.97 53.70 1rfx s LYS 89 Cb -0.10 0.39 -0.09 0.00 -2.06 0.00 0.00 37.83 35.97 1rfx s LYS 89 CO 0.00 -0.36 1.02 -0.51 0.10 0.00 0.00 175.35 175.60 1rfx s LEU 90 N -2.88 3.84 -0.18 2.77 1.43 -1.26 -0.13 118.68 122.27 1rfx s LEU 90 Ca 0.08 1.86 -0.02 0.00 -1.03 0.00 0.00 54.13 55.03 1rfx s LEU 90 Cb 0.03 -4.55 0.05 0.00 0.03 0.00 0.00 46.19 41.75 1rfx s LEU 90 CO -0.08 -0.71 0.00 -1.58 0.23 0.00 0.00 176.35 174.21 1rfx s GLN 91 N -3.29 0.95 0.36 1.70 0.74 0.60 -4.81 119.66 115.91 1rfx s GLN 91 Ca 0.66 -0.45 -0.28 0.00 0.05 0.00 0.00 55.36 55.34 1rfx s GLN 91 Cb -0.15 -2.01 -0.10 0.00 1.10 0.00 0.00 33.01 31.85 1rfx s GLN 91 CO 0.20 -0.55 1.32 0.08 -0.55 0.00 0.00 175.29 175.79 1rfx s VAL 92 N 1.76 2.65 -1.63 1.34 1.01 -1.26 -0.42 120.40 123.85 1rfx s VAL 92 Ca -0.01 0.63 -0.16 0.00 0.00 0.00 0.00 61.98 62.45 1rfx s VAL 92 Cb -0.16 -3.39 0.13 0.00 0.00 0.00 0.00 36.38 32.95 1rfx s VAL 92 CO -0.07 0.13 0.81 0.00 0.00 0.00 0.00 175.10 175.97 1rfx n ALA 93 N 0.55 -1.34 0.00 5.51 0.00 -1.18 -4.88 120.51 119.18 1rfx n ALA 93 Ca 0.01 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1rfx n ALA 93 Cb 0.42 -3.57 0.00 0.00 0.00 0.00 0.00 19.45 16.30 1rfx n ALA 93 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93