#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rgx n PRO 7 N 0.00 0.00 -0.09 0.00 -0.04 -1.26 -3.45 135.00 130.16 1rgx n PRO 7 Ca 0.00 0.20 0.09 0.00 -0.04 0.00 0.00 63.50 63.75 1rgx n PRO 7 Cb 0.00 -0.64 0.45 0.00 -0.04 0.00 0.00 33.50 33.27 1rgx n PRO 7 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1rgx h ILE 8 N 0.00 0.96 0.00 0.52 2.04 -2.06 0.14 117.51 119.12 1rgx h ILE 8 Ca 0.00 -0.18 -0.06 0.00 1.00 0.00 0.00 64.86 65.62 1rgx h ILE 8 Cb 0.00 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 36.47 1rgx h ILE 8 CO 0.00 0.10 -0.27 0.44 0.00 0.00 0.00 178.15 178.41 1rgx h ASP 9 N 0.52 0.00 -0.20 1.72 3.32 -2.00 -2.30 116.42 117.49 1rgx h ASP 9 Ca 0.27 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.17 1rgx h ASP 9 Cb 0.37 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.92 1rgx h ASP 9 CO -0.08 0.27 -0.43 -0.08 -1.72 0.00 0.00 179.24 177.21 1rgx h GLU 10 N 0.00 0.64 -0.46 3.56 4.81 -1.00 -1.00 114.58 121.12 1rgx h GLU 10 Ca -0.00 -0.42 -0.03 0.00 -0.13 0.00 0.00 59.36 58.77 1rgx h GLU 10 Cb 0.49 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.90 1rgx h GLU 10 CO 0.04 1.04 0.15 0.00 -0.73 0.00 0.00 179.01 179.51 1rgx h ALA 11 N 0.59 0.60 -0.55 2.92 0.00 -1.37 -1.31 119.26 120.15 1rgx h ALA 11 Ca 0.00 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1rgx h ALA 11 Cb 1.03 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1rgx h ALA 11 CO 0.09 0.24 0.23 0.82 0.00 0.00 0.00 179.25 180.63 1rgx h ILE 12 N 0.60 1.22 -0.83 0.00 2.04 -1.46 -2.37 117.51 116.71 1rgx h ILE 12 Ca 0.15 -0.66 0.06 0.00 1.00 0.00 0.00 64.86 65.41 1rgx h ILE 12 Cb 0.25 0.63 -0.06 0.00 -0.74 0.00 0.00 36.82 36.90 1rgx h ILE 12 CO -0.01 0.26 0.51 -0.78 0.00 0.00 0.00 178.15 178.13 1rgx h ASP 13 N 0.75 0.81 -0.71 1.72 -0.00 -0.91 -0.96 116.42 117.11 1rgx h ASP 13 Ca 0.18 0.02 -0.02 0.00 -0.00 0.00 0.00 57.03 57.21 1rgx h ASP 13 Cb 0.18 -0.15 -0.03 0.00 -0.00 0.00 0.00 39.33 39.33 1rgx h ASP 13 CO -0.02 0.52 0.36 0.11 -0.00 0.00 0.00 179.24 180.21 1rgx h LYS 14 N 0.94 1.01 -0.51 0.28 1.79 -1.03 -1.68 116.57 117.39 1rgx h LYS 14 Ca 0.36 -0.14 -0.12 0.00 -2.18 0.00 0.00 60.65 58.57 1rgx h LYS 14 Cb 0.16 -0.19 -0.02 0.00 -1.58 0.00 0.00 32.23 30.60 1rgx h LYS 14 CO -0.17 0.78 -0.16 1.57 -1.08 0.00 0.00 179.45 180.39 1rgx h LYS 15 N 0.99 0.99 0.32 3.15 -0.00 -0.87 -1.13 116.57 120.03 1rgx h LYS 15 Ca 0.25 -0.39 -0.02 0.00 -0.00 0.00 0.00 60.65 60.49 1rgx h LYS 15 Cb 0.09 -0.05 0.00 0.00 -0.00 0.00 0.00 32.23 32.27 1rgx h LYS 15 CO -0.03 1.07 -0.15 0.82 -0.00 0.00 0.00 179.45 181.15 1rgx h ILE 16 N 0.87 0.69 -0.91 0.07 2.04 -1.02 -1.79 117.51 117.46 1rgx h ILE 16 Ca 0.12 -0.04 0.05 0.00 1.00 0.00 0.00 64.86 66.00 1rgx h ILE 16 Cb 0.73 0.71 -0.06 0.00 -0.74 0.00 0.00 36.82 37.46 1rgx h ILE 16 CO 0.06 0.01 0.58 0.11 0.00 0.00 0.00 178.15 178.90 1rgx h LYS 17 N -0.45 1.04 -0.11 2.37 1.57 -1.24 0.05 116.57 119.81 1rgx h LYS 17 Ca -0.04 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 1rgx h LYS 17 Cb 0.34 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 1rgx h LYS 17 CO 0.07 0.69 0.03 1.96 -0.57 0.00 0.00 179.45 181.63 1rgx h GLN 18 N 1.07 0.18 -0.85 3.15 4.20 -1.09 -1.05 115.11 120.72 1rgx h GLN 18 Ca 0.38 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 59.02 1rgx h GLN 18 Cb 0.11 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.83 1rgx h GLN 18 CO -0.15 0.33 0.42 -0.44 -0.67 0.00 0.00 178.83 178.32 1rgx h ASP 19 N -0.01 1.10 -0.75 1.46 5.19 -1.11 -2.70 116.42 119.59 1rgx h ASP 19 Ca 0.04 -0.13 -0.00 0.00 -0.62 0.00 0.00 57.03 56.32 1rgx h ASP 19 Cb 0.23 -0.28 -0.04 0.00 0.18 0.00 0.00 39.33 39.42 1rgx h ASP 19 CO -0.00 0.92 0.47 -0.26 -3.12 0.00 0.00 179.24 177.24 1rgx h PHE 20 N 1.20 0.97 0.00 4.55 -1.00 -0.83 -1.25 116.94 120.58 1rgx h PHE 20 Ca 0.29 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 61.06 1rgx h PHE 20 Cb 0.10 -0.32 -0.00 0.00 3.61 0.00 0.00 35.95 39.34 1rgx h PHE 20 CO 0.01 0.64 -0.09 -0.97 -1.61 0.00 0.00 178.31 176.29 1rgx h ASN 21 N 1.02 0.00 0.20 2.17 -0.00 -0.86 0.51 115.58 118.62 1rgx h ASN 21 Ca 0.27 0.00 -0.35 0.00 -0.00 0.00 0.00 56.30 56.22 1rgx h ASN 21 Cb -0.06 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 38.25 1rgx h ASN 21 CO -0.05 0.09 -1.89 -1.28 -0.00 0.00 0.00 177.43 174.30 1rgx h SER 22 N 0.00 0.42 0.19 1.15 0.87 -1.41 -3.40 113.55 111.37 1rgx h SER 22 Ca -0.00 -0.84 -0.18 0.00 -1.23 0.00 0.00 61.79 59.54 1rgx h SER 22 Cb 0.21 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 62.03 1rgx h SER 22 CO 0.01 1.74 -0.69 -0.07 -0.53 0.00 0.00 176.83 177.29 1rgx h LEU 23 N 0.07 0.52 0.14 2.23 4.07 -0.86 -3.27 115.31 118.23 1rgx h LEU 23 Ca -0.38 -0.33 0.01 0.00 0.08 0.00 0.00 57.88 57.26 1rgx h LEU 23 Cb 2.05 -0.15 -0.04 0.00 1.08 0.00 0.00 40.66 43.60 1rgx h LEU 23 CO 0.11 1.06 -0.45 -0.26 -1.08 0.00 0.00 178.44 177.83 1rgx h PHE 24 N 0.32 -1.29 -0.55 1.13 -1.00 -1.11 -1.43 116.94 112.99 1rgx h PHE 24 Ca -0.02 0.03 0.03 0.00 2.81 0.00 0.00 57.97 60.82 1rgx h PHE 24 Cb 1.26 0.54 -0.04 0.00 3.61 0.00 0.00 35.95 41.32 1rgx h PHE 24 CO 0.05 -0.52 0.33 -1.35 -1.61 0.00 0.00 178.31 175.21 1rgx h PRO 25 N -0.67 0.63 -0.49 1.51 0.11 -1.77 -1.13 132.00 130.19 1rgx h PRO 25 Ca -0.01 -0.04 0.10 0.00 0.11 0.00 0.00 66.00 66.16 1rgx h PRO 25 Cb 0.66 -0.14 -0.10 0.00 0.11 0.00 0.00 31.00 31.53 1rgx h PRO 25 CO -0.22 0.41 -0.19 -0.91 -0.21 0.00 0.00 178.00 176.88 1rgx h ASN 26 N 0.65 -0.68 0.81 -2.05 4.21 -1.58 -1.90 115.58 115.03 1rgx h ASN 26 Ca 0.23 0.17 -0.13 0.00 1.21 0.00 0.00 56.30 57.78 1rgx h ASN 26 Cb 0.04 0.39 -0.02 0.00 -1.12 0.00 0.00 38.32 37.61 1rgx h ASN 26 CO -0.11 -0.23 -0.62 0.00 -1.29 0.00 0.00 177.43 175.18 1rgx h ALA 27 N 1.29 0.84 0.03 -0.83 0.00 -0.73 -3.03 119.26 116.83 1rgx h ALA 27 Ca 0.23 -0.57 -0.27 0.00 0.00 0.00 0.00 54.91 54.31 1rgx h ALA 27 Cb 0.44 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 18.16 1rgx h ALA 27 CO -0.55 0.78 -1.07 0.82 0.00 0.00 0.00 179.25 179.24 1rgx h ILE 28 N 0.00 1.29 0.00 0.00 1.08 -0.91 -3.05 117.51 115.91 1rgx h ILE 28 Ca -0.01 -2.29 0.00 0.00 -0.39 0.00 0.00 64.86 62.18 1rgx h ILE 28 Cb 1.20 2.47 0.00 0.00 -3.07 0.00 0.00 36.82 37.42 1rgx h ILE 28 CO 0.08 0.70 0.00 0.29 -0.69 0.00 0.00 178.15 178.53 1rgx n LYS 29 N -3.87 0.16 0.00 2.37 5.02 -0.74 -1.55 118.16 119.55 1rgx n LYS 29 Ca -0.12 0.38 0.14 0.00 -2.02 0.00 0.00 58.31 56.70 1rgx n LYS 29 Cb 0.90 -1.80 0.85 0.00 -0.02 0.00 0.00 35.03 34.95 1rgx n LYS 29 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1rgx n ASN 30 N -2.11 0.00 -4.55 4.39 4.05 -1.15 -4.76 115.26 111.14 1rgx n ASN 30 Ca 0.02 -0.91 -0.34 0.00 0.45 0.00 0.00 54.58 53.81 1rgx n ASN 30 Cb 0.23 0.00 -0.11 0.00 1.23 0.00 0.00 39.78 41.12 1rgx n ASN 30 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 1rgx s ILE 31 N -2.00 3.93 0.40 -1.44 1.01 -0.60 -1.54 121.20 120.97 1rgx s ILE 31 Ca 0.43 -0.36 0.03 0.00 0.00 0.00 0.00 60.65 60.75 1rgx s ILE 31 Cb 0.20 -2.69 -0.04 0.00 0.01 0.00 0.00 42.46 39.94 1rgx s ILE 31 CO 0.33 0.53 0.08 -0.83 0.00 0.00 0.00 174.94 175.05 1rgx s GLY 32 N -0.06 2.50 -0.11 6.18 0.00 -0.51 -4.96 107.32 110.37 1rgx s GLY 32 Ca 0.02 -1.42 -0.24 0.00 0.00 0.00 0.00 44.72 43.08 1rgx s GLY 32 CO 0.03 -1.90 0.75 1.08 0.00 0.00 0.00 173.10 173.05 1rgx s LEU 33 N -3.62 4.26 -0.38 0.66 1.43 -1.26 -0.77 118.68 118.99 1rgx s LEU 33 Ca 0.25 1.18 -0.08 0.00 -1.03 0.00 0.00 54.13 54.45 1rgx s LEU 33 Cb 0.05 -3.14 0.06 0.00 0.03 0.00 0.00 46.19 43.19 1rgx s LEU 33 CO 0.13 -0.22 0.19 0.21 0.23 0.00 0.00 176.35 176.89 1rgx s ASN 34 N 0.96 5.50 0.10 2.29 3.04 0.30 -4.91 114.94 122.22 1rgx s ASN 34 Ca 0.38 -1.34 0.10 0.00 0.04 0.00 0.00 52.86 52.04 1rgx s ASN 34 Cb -0.17 -1.94 -0.04 0.00 -1.54 0.00 0.00 41.25 37.56 1rgx s ASN 34 CO 0.16 -0.44 -0.26 0.00 -3.04 0.00 0.00 177.10 173.52 1rgx s TRP 36 N -0.99 0.33 -0.11 0.00 -2.14 -0.19 -4.98 118.94 110.85 1rgx s TRP 36 Ca 0.13 -0.68 -0.01 0.00 2.66 0.00 0.00 56.10 58.20 1rgx s TRP 36 Cb -0.10 0.16 -0.02 0.00 -3.10 0.00 0.00 33.47 30.41 1rgx s TRP 36 CO 0.05 -0.94 -0.09 0.99 -2.66 0.00 0.00 176.95 174.30 1rgx s THR 37 N -4.00 3.48 -0.22 0.66 2.01 -1.26 -0.68 115.64 115.63 1rgx s THR 37 Ca 0.20 -0.53 -0.05 0.00 0.31 0.00 0.00 61.69 61.63 1rgx s THR 37 Cb 0.00 -2.46 -0.02 0.00 0.01 0.00 0.00 72.50 70.03 1rgx s THR 37 CO 0.06 0.54 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.84 1rgx s VAL 38 N -0.08 3.71 0.27 3.82 1.01 -0.17 -4.96 120.40 124.00 1rgx s VAL 38 Ca -0.00 -0.38 0.11 0.00 0.00 0.00 0.00 61.98 61.71 1rgx s VAL 38 Cb -0.13 -2.70 -0.05 0.00 0.00 0.00 0.00 36.38 33.50 1rgx s VAL 38 CO 0.03 0.40 -0.12 -0.94 0.00 0.00 0.00 175.10 174.47 1rgx s SER 39 N 1.42 3.97 -0.05 3.32 1.04 -1.26 -0.29 113.70 121.85 1rgx s SER 39 Ca 0.05 -0.87 -0.23 0.00 0.48 0.00 0.00 55.95 55.38 1rgx s SER 39 Cb -0.15 -0.52 0.05 0.00 0.10 0.00 0.00 66.02 65.50 1rgx s SER 39 CO -0.00 0.03 0.50 -0.55 0.98 0.00 0.00 173.24 174.19 1rgx s SER 40 N -3.56 -0.44 0.76 7.02 0.15 0.09 -4.99 113.70 112.73 1rgx s SER 40 Ca 0.30 0.46 -0.12 0.00 0.70 0.00 0.00 55.95 57.30 1rgx s SER 40 Cb -0.06 0.48 0.05 0.00 -1.71 0.00 0.00 66.02 64.79 1rgx s SER 40 CO 0.17 -0.50 1.12 -0.13 1.20 0.00 0.00 173.24 175.10 1rgx s ARG 41 N -1.13 2.18 1.33 5.44 1.81 -1.26 -0.45 118.95 126.87 1rgx s ARG 41 Ca -0.11 1.37 0.00 0.00 -1.72 0.00 0.00 55.73 55.27 1rgx s ARG 41 Cb -0.03 -1.87 0.00 0.00 -0.45 0.00 0.00 34.95 32.60 1rgx s ARG 41 CO 0.07 -1.73 0.00 0.41 -0.68 0.00 0.00 175.30 173.37 1rgx n GLY 42 N -0.58 -1.68 0.83 -3.53 0.00 -1.18 -4.58 105.19 94.46 1rgx n GLY 42 Ca 0.10 -1.52 0.09 0.00 0.00 0.00 0.00 46.02 44.70 1rgx n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1rgx n LYS 43 N 0.00 1.91 -4.62 1.61 5.02 -1.26 -3.02 118.16 117.81 1rgx n LYS 43 Ca 0.00 -1.83 -0.23 0.00 -2.02 0.00 0.00 58.31 54.23 1rgx n LYS 43 Cb 0.00 -1.38 -0.15 0.00 -0.02 0.00 0.00 35.03 33.48 1rgx n LYS 43 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1rgx s LEU 44 N -1.38 1.93 -0.03 -0.35 1.43 -1.26 -0.79 118.68 118.24 1rgx s LEU 44 Ca 0.26 -0.26 -0.01 0.00 -1.03 0.00 0.00 54.13 53.10 1rgx s LEU 44 Cb 0.17 -0.73 0.03 0.00 0.03 0.00 0.00 46.19 45.68 1rgx s LEU 44 CO 0.24 0.14 0.05 0.00 0.23 0.00 0.00 176.35 177.00 1rgx s ALA 45 N -0.10 0.01 0.11 4.21 0.00 -0.65 -4.62 121.76 120.72 1rgx s ALA 45 Ca 0.01 0.33 0.09 0.00 0.00 0.00 0.00 51.96 52.39 1rgx s ALA 45 Cb -0.08 -0.25 -0.04 0.00 0.00 0.00 0.00 23.12 22.75 1rgx s ALA 45 CO 0.00 -0.10 -0.21 -1.54 0.00 0.00 0.00 175.76 173.91 1rgx s SER 46 N 0.95 3.70 0.20 0.00 1.04 -1.26 -0.06 113.70 118.26 1rgx s SER 46 Ca -0.08 -0.60 -0.11 0.00 0.48 0.00 0.00 55.95 55.65 1rgx s SER 46 Cb -0.11 -0.45 -0.07 0.00 0.10 0.00 0.00 66.02 65.49 1rgx s SER 46 CO -0.03 0.19 0.53 0.00 0.98 0.00 0.00 173.24 174.91 1rgx s PRO 48 N -2.55 1.91 0.34 0.00 0.04 -1.26 -4.90 135.00 128.56 1rgx s PRO 48 Ca 0.44 0.40 -0.27 0.00 0.04 0.00 0.00 61.00 61.61 1rgx s PRO 48 Cb -0.12 -1.92 -0.13 0.00 0.04 0.00 0.00 34.50 32.37 1rgx s PRO 48 CO 0.21 -1.69 1.05 0.39 0.04 0.00 0.00 177.00 177.00 1rgx n GLU 49 N -3.44 1.49 -0.74 4.56 -0.58 -1.26 -2.46 120.64 118.21 1rgx n GLU 49 Ca 0.07 0.52 0.00 0.00 -0.42 0.00 0.00 57.16 57.33 1rgx n GLU 49 Cb 0.58 -1.98 0.00 0.00 -0.57 0.00 0.00 31.44 29.47 1rgx n GLU 49 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1rgx n GLY 50 N 1.13 0.74 3.37 0.62 0.00 -1.26 -5.04 105.19 104.75 1rgx n GLY 50 Ca 0.09 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.90 1rgx n GLY 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1rgx s THR 51 N -2.66 1.92 0.14 2.61 -4.23 -1.03 -4.73 115.64 107.65 1rgx s THR 51 Ca 0.00 -2.16 0.05 0.00 -1.18 0.00 0.00 61.69 58.40 1rgx s THR 51 Cb 0.00 -2.03 -0.04 0.00 1.34 0.00 0.00 72.50 71.77 1rgx s THR 51 CO 0.00 -0.46 0.11 0.00 -0.54 0.00 0.00 174.62 173.72 1rgx s ALA 52 N -2.58 3.54 -0.23 3.99 0.00 -0.30 -4.88 121.76 121.30 1rgx s ALA 52 Ca 0.22 -1.16 -0.13 0.00 0.00 0.00 0.00 51.96 50.89 1rgx s ALA 52 Cb -0.03 -1.36 -0.04 0.00 0.00 0.00 0.00 23.12 21.68 1rgx s ALA 52 CO 0.08 0.58 0.29 0.08 0.00 0.00 0.00 175.76 176.80 1rgx s VAL 53 N -1.63 5.26 -0.08 0.00 1.01 -1.26 -1.16 120.40 122.54 1rgx s VAL 53 Ca 0.30 0.46 0.15 0.00 0.00 0.00 0.00 61.98 62.88 1rgx s VAL 53 Cb -0.11 -3.63 -0.22 0.00 0.00 0.00 0.00 36.38 32.43 1rgx s VAL 53 CO 0.23 0.27 0.21 0.18 0.00 0.00 0.00 175.10 175.98 1rgx n LEU 54 N 4.62 0.00 -3.80 3.92 4.32 -0.06 -5.02 117.00 120.98 1rgx n LEU 54 Ca -0.11 0.00 -0.04 0.00 -0.02 0.00 0.00 56.01 55.83 1rgx n LEU 54 Cb 0.51 0.18 -0.01 0.00 -1.62 0.00 0.00 43.42 42.48 1rgx n LEU 54 CO 0.37 0.18 0.68 -0.94 -1.22 0.00 0.00 177.39 176.45 1rgx s SER 55 N -4.32 -0.14 0.07 -1.43 1.04 -1.25 -5.01 113.70 102.65 1rgx s SER 55 Ca -0.07 -0.56 0.02 0.00 0.48 0.00 0.00 55.95 55.83 1rgx s SER 55 Cb 0.07 0.57 -0.03 0.00 0.10 0.00 0.00 66.02 66.73 1rgx s SER 55 CO 0.64 -1.07 -0.07 0.00 0.98 0.00 0.00 173.24 173.72 1rgx s SER 57 N -2.35 1.72 0.04 0.00 0.15 0.04 -4.99 113.70 108.30 1rgx s SER 57 Ca 0.01 -0.83 0.02 0.00 0.70 0.00 0.00 55.95 55.85 1rgx s SER 57 Cb -0.02 -0.03 -0.02 0.00 -1.71 0.00 0.00 66.02 64.24 1rgx s SER 57 CO -0.03 -0.22 -0.07 0.00 1.20 0.00 0.00 173.24 174.13 1rgx s GLY 59 N -1.48 1.60 -1.63 0.00 0.00 -0.47 -4.21 107.32 101.14 1rgx s GLY 59 Ca -0.10 -0.93 0.00 0.00 0.00 0.00 0.00 44.72 43.69 1rgx s GLY 59 CO 0.00 -0.08 0.00 1.44 0.00 0.00 0.00 173.10 174.47 1rgx n SER 60 N -4.63 -4.97 -1.13 1.64 7.64 -1.26 -2.34 113.62 108.58 1rgx n SER 60 Ca 0.13 0.24 -0.15 0.00 1.01 0.00 0.00 58.87 60.10 1rgx n SER 60 Cb 0.59 -3.98 -0.06 0.00 -1.01 0.00 0.00 64.21 59.75 1rgx n SER 60 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rgx n ALA 61 N 0.07 -0.22 -2.45 -0.43 0.00 -1.26 -4.95 120.51 111.27 1rgx n ALA 61 Ca -0.18 0.24 -0.43 0.00 0.00 0.00 0.00 53.44 53.07 1rgx n ALA 61 Cb 0.59 -1.84 -0.02 0.00 0.00 0.00 0.00 19.45 18.17 1rgx n ALA 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rgx n GLY 63 N 4.21 0.97 3.46 0.00 0.00 -1.26 -4.08 105.19 108.50 1rgx n GLY 63 Ca 0.14 -0.60 -0.43 0.00 0.00 0.00 0.00 46.02 45.14 1rgx n GLY 63 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rgx s SER 64 N -1.63 6.13 0.09 1.61 0.01 -1.26 -5.05 113.70 113.61 1rgx s SER 64 Ca 0.35 -0.86 -0.02 0.00 1.31 0.00 0.00 55.95 56.72 1rgx s SER 64 Cb 0.20 -2.18 -0.03 0.00 0.21 0.00 0.00 66.02 64.22 1rgx s SER 64 CO 0.30 -0.50 0.04 -1.66 0.41 0.00 0.00 173.24 171.83 1rgx s TRP 65 N 1.80 0.58 0.03 2.43 1.48 -1.26 -1.30 118.94 122.71 1rgx s TRP 65 Ca 0.07 -1.05 -0.04 0.00 -1.06 0.00 0.00 56.10 54.02 1rgx s TRP 65 Cb -0.19 -0.36 -0.02 0.00 -1.16 0.00 0.00 33.47 31.75 1rgx s TRP 65 CO 0.11 -0.46 0.05 0.16 -4.06 0.00 0.00 176.95 172.75 1rgx s ASP 66 N -2.96 0.23 -0.23 -2.66 -4.77 -0.43 -4.99 116.67 100.87 1rgx s ASP 66 Ca 0.13 -0.58 -0.09 0.00 -3.30 0.00 0.00 52.55 48.70 1rgx s ASP 66 Cb 0.07 0.20 -0.04 0.00 -1.09 0.00 0.00 42.92 42.05 1rgx s ASP 66 CO -0.06 -0.48 0.12 -0.63 0.70 0.00 0.00 175.17 174.83 1rgx s ILE 67 N -2.53 5.06 -0.14 2.11 1.01 -1.26 -0.25 121.20 125.19 1rgx s ILE 67 Ca -0.06 0.07 -0.09 0.00 0.00 0.00 0.00 60.65 60.57 1rgx s ILE 67 Cb -0.02 -3.34 -0.05 0.00 0.01 0.00 0.00 42.46 39.07 1rgx s ILE 67 CO -0.04 0.37 0.17 -0.13 0.00 0.00 0.00 174.94 175.31 1rgx s ARG 68 N 1.00 3.82 -1.25 2.79 0.52 0.89 -4.51 118.95 122.21 1rgx s ARG 68 Ca 0.06 -0.10 -0.06 0.00 -0.52 0.00 0.00 55.73 55.12 1rgx s ARG 68 Cb -0.14 -3.30 0.04 0.00 0.52 0.00 0.00 34.95 32.08 1rgx s ARG 68 CO 0.04 0.55 0.35 0.39 0.02 0.00 0.00 175.30 176.64 1rgx n GLU 69 N 2.68 -3.25 -3.33 3.54 -0.58 -1.26 -1.37 120.64 117.06 1rgx n GLU 69 Ca -0.17 0.58 -0.20 0.00 -0.42 0.00 0.00 57.16 56.95 1rgx n GLU 69 Cb 0.53 -5.28 -0.02 0.00 -0.57 0.00 0.00 31.44 26.10 1rgx n GLU 69 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1rgx n GLU 70 N -3.48 -2.42 0.00 3.49 -0.58 -1.26 -4.70 120.64 111.69 1rgx n GLU 70 Ca -0.07 0.21 0.00 0.00 -0.42 0.00 0.00 57.16 56.88 1rgx n GLU 70 Cb 0.58 -4.80 0.00 0.00 -0.57 0.00 0.00 31.44 26.64 1rgx n GLU 70 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1rgx n LYS 71 N -3.32 0.03 -4.13 3.49 4.81 -0.47 -4.42 118.16 114.15 1rgx n LYS 71 Ca 0.02 0.00 -0.34 0.00 -0.87 0.00 0.00 58.31 57.12 1rgx n LYS 71 Cb 0.50 -0.53 -0.15 0.00 0.02 0.00 0.00 35.03 34.87 1rgx n LYS 71 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1rgx s VAL 72 N -1.07 2.90 0.06 3.15 1.01 -0.61 -1.26 120.40 124.59 1rgx s VAL 72 Ca 0.00 -0.66 -0.31 0.00 0.00 0.00 0.00 61.98 61.01 1rgx s VAL 72 Cb 0.00 -2.28 -0.06 0.00 0.00 0.00 0.00 36.38 34.05 1rgx s VAL 72 CO 0.00 0.48 1.19 0.00 0.00 0.00 0.00 175.10 176.77 1rgx s HIS 74 N 1.06 2.82 -0.08 0.00 5.04 0.65 -1.63 115.29 123.15 1rgx s HIS 74 Ca 0.58 -1.76 -0.21 0.00 -1.54 0.00 0.00 55.06 52.13 1rgx s HIS 74 Cb -0.29 -1.89 -0.04 0.00 0.04 0.00 0.00 32.58 30.40 1rgx s HIS 74 CO 0.29 -0.81 0.61 0.00 -2.34 0.00 0.00 174.74 172.49 1rgx n GLN 76 N 3.67 0.65 -1.23 0.00 6.02 -0.42 -4.84 117.38 121.23 1rgx n GLN 76 Ca -0.04 -0.02 -0.33 0.00 -0.01 0.00 0.00 57.00 56.61 1rgx n GLN 76 Cb 0.51 -1.62 0.11 0.00 1.02 0.00 0.00 30.24 30.26 1rgx n GLN 76 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1rgx h ALA 78 N -0.76 0.64 -2.03 0.00 0.00 -2.01 -3.37 119.26 111.73 1rgx h ALA 78 Ca -0.46 -0.06 -0.64 0.00 0.00 0.00 0.00 54.91 53.74 1rgx h ALA 78 Cb 1.28 -0.20 -0.14 0.00 0.00 0.00 0.00 17.79 18.73 1rgx h ALA 78 CO 0.48 0.12 0.29 1.03 0.00 0.00 0.00 179.25 181.17 1rgx s ARG 79 N -6.00 3.29 -0.18 0.00 0.52 -1.26 -5.02 118.95 110.30 1rgx s ARG 79 Ca -0.13 -0.38 -0.04 0.00 -0.52 0.00 0.00 55.73 54.66 1rgx s ARG 79 Cb 0.12 -4.01 0.06 0.00 0.52 0.00 0.00 34.95 31.64 1rgx s ARG 79 CO 0.75 -1.21 0.06 0.42 0.02 0.00 0.00 175.30 175.33 1rgx s ILE 80 N 3.21 0.29 0.11 1.52 -1.09 -1.26 -4.68 121.20 119.30 1rgx s ILE 80 Ca 0.25 -0.40 -0.11 0.00 -2.23 0.00 0.00 60.65 58.16 1rgx s ILE 80 Cb -0.14 -0.86 -0.15 0.00 -1.58 0.00 0.00 42.46 39.74 1rgx s ILE 80 CO 0.19 -0.23 1.33 -0.78 -1.23 0.00 0.00 174.94 174.21 1rgx h ASP 81 N 8.31 0.89 -5.11 3.58 -0.00 -1.86 -3.40 116.42 118.83 1rgx h ASP 81 Ca -0.16 -0.58 -0.04 0.00 -0.00 0.00 0.00 57.03 56.25 1rgx h ASP 81 Cb 1.13 -0.26 -0.11 0.00 -0.00 0.00 0.00 39.33 40.08 1rgx h ASP 81 CO 0.32 1.37 -0.07 -1.66 -0.00 0.00 0.00 179.24 179.21 1rgx s TRP 82 N -3.75 -0.05 0.02 0.28 1.48 -1.26 -3.13 118.94 112.53 1rgx s TRP 82 Ca -0.10 -0.29 0.03 0.00 -1.06 0.00 0.00 56.10 54.68 1rgx s TRP 82 Cb 0.09 0.27 -0.02 0.00 -1.16 0.00 0.00 33.47 32.65 1rgx s TRP 82 CO 0.90 -0.81 -0.09 0.99 -4.06 0.00 0.00 176.95 173.88 1rgx s THR 83 N -3.87 0.67 0.00 0.66 2.01 0.41 -1.37 115.64 114.15 1rgx s THR 83 Ca 0.09 -0.75 0.00 0.00 0.31 0.00 0.00 61.69 61.34 1rgx s THR 83 Cb 0.01 -0.63 -0.01 0.00 0.01 0.00 0.00 72.50 71.88 1rgx s THR 83 CO -0.05 -0.08 -0.01 0.00 -0.69 0.00 0.00 174.62 173.78 1rgx s ALA 84 N -0.77 0.10 -0.04 7.40 0.00 -0.10 -0.73 121.76 127.63 1rgx s ALA 84 Ca -0.02 -0.17 0.07 0.00 0.00 0.00 0.00 51.96 51.84 1rgx s ALA 84 Cb -0.07 0.02 -0.02 0.00 0.00 0.00 0.00 23.12 23.05 1rgx s ALA 84 CO 0.00 -0.02 -0.25 0.00 0.00 0.00 0.00 175.76 175.50 1rgx s ALA 85 N -0.34 2.21 -0.28 0.00 0.00 0.60 -0.78 121.76 123.16 1rgx s ALA 85 Ca -0.03 -1.08 -0.16 0.00 0.00 0.00 0.00 51.96 50.69 1rgx s ALA 85 Cb -0.02 -0.63 -0.03 0.00 0.00 0.00 0.00 23.12 22.43 1rgx s ALA 85 CO -0.00 0.49 0.42 0.50 0.00 0.00 0.00 175.76 177.17 1rgx s ARG 86 N -0.45 3.94 -0.09 0.00 6.06 -0.63 -1.00 118.95 126.77 1rgx s ARG 86 Ca 0.05 0.04 0.02 0.00 -2.50 0.00 0.00 55.73 53.35 1rgx s ARG 86 Cb -0.11 -3.69 -0.01 0.00 0.06 0.00 0.00 34.95 31.20 1rgx s ARG 86 CO 0.01 -0.36 -0.17 0.00 -2.50 0.00 0.00 175.30 172.28 1rgx s LYS 89 N -1.64 1.25 0.38 0.00 -2.85 -0.32 -1.15 119.74 115.43 1rgx s LYS 89 Ca -0.10 -1.32 -0.23 0.00 -1.00 0.00 0.00 55.97 53.32 1rgx s LYS 89 Cb -0.09 0.37 -0.10 0.00 -2.06 0.00 0.00 37.83 35.94 1rgx s LYS 89 CO -0.00 -0.46 0.96 -0.51 0.10 0.00 0.00 175.35 175.43 1rgx s LEU 90 N -3.03 4.12 -0.06 2.77 1.43 -1.26 -0.54 118.68 122.10 1rgx s LEU 90 Ca 0.24 1.78 -0.03 0.00 -1.03 0.00 0.00 54.13 55.09 1rgx s LEU 90 Cb 0.03 -4.30 0.04 0.00 0.03 0.00 0.00 46.19 41.99 1rgx s LEU 90 CO 0.05 -0.26 0.11 -1.58 0.23 0.00 0.00 176.35 174.91 1rgx s GLN 91 N -2.67 -0.01 -0.05 1.70 2.00 0.05 -4.82 119.66 115.87 1rgx s GLN 91 Ca 0.57 0.44 -0.30 0.00 -2.00 0.00 0.00 55.36 54.08 1rgx s GLN 91 Cb -0.14 -0.35 -0.05 0.00 0.80 0.00 0.00 33.01 33.27 1rgx s GLN 91 CO 0.19 -0.29 1.52 0.14 -0.50 0.00 0.00 175.29 176.35 1rgx s VAL 92 N 2.03 3.68 -0.15 1.34 -7.23 -1.26 -1.42 120.40 117.38 1rgx s VAL 92 Ca 0.01 0.92 0.17 0.00 -1.81 0.00 0.00 61.98 61.28 1rgx s VAL 92 Cb -0.12 -3.59 -0.06 0.00 0.56 0.00 0.00 36.38 33.16 1rgx s VAL 92 CO -0.05 -0.05 1.02 0.00 -0.31 0.00 0.00 175.10 175.71 1rgx h ALA 93 N 8.76 0.64 0.00 1.32 0.00 -1.66 -3.49 119.26 124.84 1rgx h ALA 93 Ca -0.37 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 53.91 1rgx h ALA 93 Cb 1.17 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1rgx h ALA 93 CO 0.94 0.71 0.00 0.45 0.00 0.00 0.00 179.25 181.36