#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rgx n SER 2 N 0.00 -7.01 -2.82 -3.46 2.88 -1.26 -4.45 113.62 97.50 1rgx n SER 2 Ca 0.00 0.14 -0.12 0.00 -1.33 0.00 0.00 58.87 57.57 1rgx n SER 2 Cb 0.00 -4.04 0.06 0.00 -0.75 0.00 0.00 64.21 59.47 1rgx n SER 2 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 1rgx n MET 3 N -0.65 -2.29 -1.59 -1.46 2.81 -1.26 -4.91 117.12 107.78 1rgx n MET 3 Ca 0.01 0.65 -0.56 0.00 -1.81 0.00 0.00 57.70 56.00 1rgx n MET 3 Cb 0.55 -4.82 -0.07 0.00 -0.71 0.00 0.00 33.22 28.17 1rgx n MET 3 CO 0.00 0.00 0.00 -2.30 1.51 0.00 0.00 175.97 175.18 1rgx n PRO 4 N -2.90 0.73 0.05 0.03 -0.02 -1.26 -4.89 135.00 126.73 1rgx n PRO 4 Ca -0.08 0.26 -0.09 0.00 -2.02 0.00 0.00 63.50 61.57 1rgx n PRO 4 Cb 0.60 -1.86 -0.13 0.00 -0.02 0.00 0.00 33.50 32.09 1rgx n PRO 4 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1rgx h LEU 5 N 4.40 0.08 -7.43 2.45 3.38 -1.94 -3.37 115.31 112.87 1rgx h LEU 5 Ca -0.48 -0.10 -0.68 0.00 0.09 0.00 0.00 57.88 56.70 1rgx h LEU 5 Cb 1.36 -0.03 -0.37 0.00 0.09 0.00 0.00 40.66 41.72 1rgx h LEU 5 CO 0.77 1.08 -0.37 0.00 0.09 0.00 0.00 178.44 180.02 1rgx h PRO 7 N 6.56 1.06 -0.02 0.00 0.11 -1.98 -1.20 132.00 136.53 1rgx h PRO 7 Ca 0.03 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.05 1rgx h PRO 7 Cb 0.89 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 31.77 1rgx h PRO 7 CO 0.74 0.70 -0.07 0.82 -0.21 0.00 0.00 178.00 179.97 1rgx h ILE 8 N 1.09 1.49 -0.66 4.15 1.08 -1.96 -1.46 117.51 121.24 1rgx h ILE 8 Ca 0.31 -1.55 0.07 0.00 -0.39 0.00 0.00 64.86 63.29 1rgx h ILE 8 Cb -0.08 2.48 -0.06 0.00 -3.07 0.00 0.00 36.82 36.09 1rgx h ILE 8 CO -0.08 0.42 0.35 0.44 -0.69 0.00 0.00 178.15 178.58 1rgx h ASP 9 N -0.52 0.50 -0.39 1.72 5.19 -1.98 -0.79 116.42 120.15 1rgx h ASP 9 Ca -0.00 0.04 -0.08 0.00 -0.62 0.00 0.00 57.03 56.36 1rgx h ASP 9 Cb 0.72 -0.05 -0.01 0.00 0.18 0.00 0.00 39.33 40.16 1rgx h ASP 9 CO 0.02 0.31 -0.08 -0.33 -3.12 0.00 0.00 179.24 176.04 1rgx h GLU 10 N 0.63 0.74 -0.58 3.56 5.08 -1.24 0.15 114.58 122.93 1rgx h GLU 10 Ca 0.30 -0.28 0.05 0.00 -1.00 0.00 0.00 59.36 58.43 1rgx h GLU 10 Cb 0.23 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.39 1rgx h GLU 10 CO -0.21 0.87 0.32 0.00 -1.00 0.00 0.00 179.01 178.99 1rgx h ALA 11 N 0.84 0.75 -0.28 3.43 0.00 -0.92 -1.04 119.26 122.04 1rgx h ALA 11 Ca 0.10 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 1rgx h ALA 11 Cb 0.59 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1rgx h ALA 11 CO 0.04 -0.00 -0.05 0.82 0.00 0.00 0.00 179.25 180.05 1rgx h ILE 12 N 0.61 1.28 -0.50 0.00 2.04 -1.02 -2.11 117.51 117.80 1rgx h ILE 12 Ca 0.25 -1.06 0.08 0.00 1.00 0.00 0.00 64.86 65.13 1rgx h ILE 12 Cb 0.13 1.39 -0.06 0.00 -0.74 0.00 0.00 36.82 37.53 1rgx h ILE 12 CO -0.15 0.34 0.15 -0.78 0.00 0.00 0.00 178.15 177.70 1rgx h ASP 13 N 0.30 0.11 -0.02 1.72 -0.00 -0.42 1.00 116.42 119.11 1rgx h ASP 13 Ca 0.07 0.07 -0.09 0.00 -0.00 0.00 0.00 57.03 57.09 1rgx h ASP 13 Cb 0.52 0.08 -0.01 0.00 -0.00 0.00 0.00 39.33 39.91 1rgx h ASP 13 CO 0.02 0.09 -0.25 0.11 -0.00 0.00 0.00 179.24 179.21 1rgx h LYS 14 N 0.30 0.43 -0.40 0.28 1.57 -1.14 -1.10 116.57 116.52 1rgx h LYS 14 Ca 0.25 -0.16 -0.07 0.00 -1.87 0.00 0.00 60.65 58.79 1rgx h LYS 14 Cb 0.30 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 1rgx h LYS 14 CO -0.28 0.66 -0.04 -0.22 -0.57 0.00 0.00 179.45 179.00 1rgx h LYS 15 N 0.39 0.73 -0.02 3.15 3.64 -0.65 -0.33 116.57 123.47 1rgx h LYS 15 Ca 0.06 -0.25 0.02 0.00 -1.27 0.00 0.00 60.65 59.21 1rgx h LYS 15 Cb 0.65 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.39 1rgx h LYS 15 CO 0.05 0.83 -0.08 0.82 -2.27 0.00 0.00 179.45 178.81 1rgx h ILE 16 N 0.54 0.80 -0.09 2.00 2.04 -0.51 0.40 117.51 122.69 1rgx h ILE 16 Ca 0.11 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.96 1rgx h ILE 16 Cb 0.53 0.80 -0.00 0.00 -0.74 0.00 0.00 36.82 37.40 1rgx h ILE 16 CO 0.03 0.00 0.04 0.11 0.00 0.00 0.00 178.15 178.33 1rgx h LYS 17 N -0.12 0.13 -0.39 2.37 1.57 -1.18 0.88 116.57 119.83 1rgx h LYS 17 Ca 0.04 -0.02 0.07 0.00 -1.87 0.00 0.00 60.65 58.87 1rgx h LYS 17 Cb 0.17 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.40 1rgx h LYS 17 CO -0.10 0.21 -0.00 1.96 -0.57 0.00 0.00 179.45 180.95 1rgx h GLN 18 N 0.02 0.10 -0.25 3.15 4.20 -0.97 -1.09 115.11 120.27 1rgx h GLN 18 Ca 0.03 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 1rgx h GLN 18 Cb 0.13 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 1rgx h GLN 18 CO -0.00 0.06 0.14 -0.44 -0.67 0.00 0.00 178.83 177.92 1rgx h ASP 19 N 0.10 0.31 -0.87 1.46 5.19 -0.68 -2.37 116.42 119.56 1rgx h ASP 19 Ca 0.19 -0.08 0.11 0.00 -0.62 0.00 0.00 57.03 56.63 1rgx h ASP 19 Cb 0.27 -0.08 -0.06 0.00 0.18 0.00 0.00 39.33 39.64 1rgx h ASP 19 CO -0.32 0.29 0.56 0.15 -3.12 0.00 0.00 179.24 176.80 1rgx h PHE 20 N 0.29 0.87 0.00 4.55 3.04 -0.51 0.40 116.94 125.59 1rgx h PHE 20 Ca 0.09 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.06 1rgx h PHE 20 Cb 0.05 -0.28 0.00 0.00 2.56 0.00 0.00 35.95 38.28 1rgx h PHE 20 CO -0.04 0.38 0.00 -0.91 -2.02 0.00 0.00 178.31 175.72 1rgx h ASN 21 N 0.79 0.00 0.00 0.41 2.35 -0.66 0.10 115.58 118.56 1rgx h ASN 21 Ca 0.41 0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 55.83 1rgx h ASN 21 Cb 0.51 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.82 1rgx h ASN 21 CO -0.18 0.00 -2.25 -1.54 -1.65 0.00 0.00 177.43 171.81 1rgx n SER 22 N -2.76 1.98 -0.23 5.81 3.41 -0.52 -4.54 113.62 116.77 1rgx n SER 22 Ca 0.01 -0.10 -0.08 0.00 -0.26 0.00 0.00 58.87 58.44 1rgx n SER 22 Cb 0.24 -0.11 0.04 0.00 -0.26 0.00 0.00 64.21 64.11 1rgx n SER 22 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1rgx h LEU 23 N 0.00 0.98 0.77 1.04 -0.00 -0.10 -3.21 115.31 114.79 1rgx h LEU 23 Ca -0.49 -0.22 -0.04 0.00 -0.00 0.00 0.00 57.88 57.13 1rgx h LEU 23 Cb 1.83 -0.26 0.01 0.00 -0.00 0.00 0.00 40.66 42.24 1rgx h LEU 23 CO -0.06 0.94 -0.37 0.15 -0.00 0.00 0.00 178.44 179.10 1rgx h PHE 24 N 0.96 -0.96 -1.01 1.13 3.04 -1.02 -1.50 116.94 117.58 1rgx h PHE 24 Ca 0.21 -0.02 0.08 0.00 3.98 0.00 0.00 57.97 62.22 1rgx h PHE 24 Cb 0.33 0.32 -0.07 0.00 2.56 0.00 0.00 35.95 39.09 1rgx h PHE 24 CO 0.02 -0.58 0.65 -1.35 -2.02 0.00 0.00 178.31 175.03 1rgx h PRO 25 N -1.18 1.10 -0.23 6.41 0.11 -1.80 -0.07 132.00 136.35 1rgx h PRO 25 Ca -0.11 -0.07 -0.08 0.00 0.11 0.00 0.00 66.00 65.86 1rgx h PRO 25 Cb 0.81 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 31.66 1rgx h PRO 25 CO 0.17 0.73 -0.21 -0.97 -0.21 0.00 0.00 178.00 177.52 1rgx h ASN 26 N 1.14 0.40 0.27 -2.05 -0.73 -1.55 -2.91 115.58 110.14 1rgx h ASN 26 Ca 0.45 -0.12 -0.20 0.00 1.87 0.00 0.00 56.30 58.30 1rgx h ASN 26 Cb 0.25 -0.11 -0.00 0.00 0.27 0.00 0.00 38.32 38.73 1rgx h ASN 26 CO -0.20 0.62 -0.81 0.00 -0.37 0.00 0.00 177.43 176.67 1rgx h ALA 27 N 1.42 0.50 0.00 1.57 0.00 -0.21 -3.27 119.26 119.27 1rgx h ALA 27 Ca 0.06 -0.64 -0.00 0.00 0.00 0.00 0.00 54.91 54.33 1rgx h ALA 27 Cb 0.57 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1rgx h ALA 27 CO 0.04 0.78 -0.00 0.82 0.00 0.00 0.00 179.25 180.89 1rgx h ILE 28 N 0.27 0.01 -0.19 0.00 1.08 -0.87 -1.97 117.51 115.84 1rgx h ILE 28 Ca -0.05 -0.45 -0.02 0.00 -0.39 0.00 0.00 64.86 63.95 1rgx h ILE 28 Cb 1.41 1.45 -0.01 0.00 -3.07 0.00 0.00 36.82 36.60 1rgx h ILE 28 CO 0.14 0.00 0.03 0.07 -0.69 0.00 0.00 178.15 177.71 1rgx h LYS 29 N 0.00 0.26 -0.61 2.37 2.10 -1.56 -2.91 116.57 116.22 1rgx h LYS 29 Ca -0.00 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 1rgx h LYS 29 Cb 0.45 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 31.73 1rgx h LYS 29 CO 0.00 0.26 0.00 0.09 -2.00 0.00 0.00 179.45 177.80 1rgx n ASN 30 N -4.41 1.81 -4.22 7.07 3.02 -0.74 -4.80 115.26 113.00 1rgx n ASN 30 Ca -0.00 -2.15 -0.28 0.00 -0.03 0.00 0.00 54.58 52.12 1rgx n ASN 30 Cb 0.15 -0.38 -0.16 0.00 -0.61 0.00 0.00 39.78 38.78 1rgx n ASN 30 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1rgx s ILE 31 N -1.58 1.66 0.00 2.41 -4.36 -1.10 0.11 121.20 118.33 1rgx s ILE 31 Ca 0.14 -0.88 0.00 0.00 -0.26 0.00 0.00 60.65 59.65 1rgx s ILE 31 Cb 0.10 -1.39 0.00 0.00 1.25 0.00 0.00 42.46 42.42 1rgx s ILE 31 CO 0.06 0.47 0.00 0.61 0.24 0.00 0.00 174.94 176.32 1rgx n GLY 32 N 2.69 3.78 3.52 6.27 0.00 -0.21 -4.94 105.19 116.30 1rgx n GLY 32 Ca -0.16 -1.31 -0.38 0.00 0.00 0.00 0.00 46.02 44.17 1rgx n GLY 32 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rgx s LEU 33 N 0.00 3.96 -0.44 0.99 1.43 -1.26 -1.33 118.68 122.02 1rgx s LEU 33 Ca 0.00 -0.20 -0.17 0.00 -1.03 0.00 0.00 54.13 52.73 1rgx s LEU 33 Cb 0.00 -2.05 0.04 0.00 0.03 0.00 0.00 46.19 44.20 1rgx s LEU 33 CO 0.00 -0.10 0.45 0.21 0.23 0.00 0.00 176.35 177.14 1rgx s ASN 34 N 1.69 6.18 0.09 2.29 3.04 0.98 -4.95 114.94 124.27 1rgx s ASN 34 Ca 0.06 -0.86 0.09 0.00 0.04 0.00 0.00 52.86 52.20 1rgx s ASN 34 Cb -0.16 -2.22 -0.03 0.00 -1.54 0.00 0.00 41.25 37.29 1rgx s ASN 34 CO 0.08 -0.63 -0.24 0.00 -3.04 0.00 0.00 177.10 173.27 1rgx s TRP 36 N -1.00 0.18 -0.07 0.00 -2.14 0.20 -4.99 118.94 111.12 1rgx s TRP 36 Ca 0.10 -0.61 0.02 0.00 2.66 0.00 0.00 56.10 58.27 1rgx s TRP 36 Cb -0.10 0.45 -0.03 0.00 -3.10 0.00 0.00 33.47 30.70 1rgx s TRP 36 CO 0.04 -1.18 -0.11 0.99 -2.66 0.00 0.00 176.95 174.04 1rgx s THR 37 N -3.67 3.37 -0.22 0.66 2.01 -1.26 -0.29 115.64 116.24 1rgx s THR 37 Ca 0.18 -0.60 -0.03 0.00 0.31 0.00 0.00 61.69 61.55 1rgx s THR 37 Cb -0.03 -2.36 0.00 0.00 0.01 0.00 0.00 72.50 70.12 1rgx s THR 37 CO 0.09 0.59 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.85 1rgx s VAL 38 N -0.64 3.09 0.09 3.82 1.01 -0.18 -4.97 120.40 122.61 1rgx s VAL 38 Ca 0.10 -0.65 0.06 0.00 0.00 0.00 0.00 61.98 61.48 1rgx s VAL 38 Cb -0.11 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 1rgx s VAL 38 CO 0.01 0.40 -0.05 -0.44 0.00 0.00 0.00 175.10 175.03 1rgx s SER 39 N 1.43 4.72 -0.05 3.32 0.01 -1.26 -0.28 113.70 121.58 1rgx s SER 39 Ca 0.05 -0.27 -0.15 0.00 1.31 0.00 0.00 55.95 56.88 1rgx s SER 39 Cb -0.14 -1.02 0.03 0.00 0.21 0.00 0.00 66.02 65.09 1rgx s SER 39 CO -0.05 0.18 0.35 -0.55 0.41 0.00 0.00 173.24 173.58 1rgx s SER 40 N -2.23 -0.27 0.62 2.44 0.15 0.45 -4.99 113.70 109.86 1rgx s SER 40 Ca 0.23 0.31 -0.17 0.00 0.70 0.00 0.00 55.95 57.03 1rgx s SER 40 Cb -0.11 0.45 -0.02 0.00 -1.71 0.00 0.00 66.02 64.63 1rgx s SER 40 CO 0.16 -0.37 1.14 -0.13 1.20 0.00 0.00 173.24 175.24 1rgx s ARG 41 N -0.89 2.90 0.84 5.44 1.81 -1.26 -0.44 118.95 127.35 1rgx s ARG 41 Ca -0.10 1.57 0.00 0.00 -1.72 0.00 0.00 55.73 55.49 1rgx s ARG 41 Cb -0.04 -1.95 0.00 0.00 -0.45 0.00 0.00 34.95 32.51 1rgx s ARG 41 CO 0.04 -1.20 0.00 0.41 -0.68 0.00 0.00 175.30 173.86 1rgx n GLY 42 N -0.03 -1.78 0.82 -3.53 0.00 -1.21 -4.62 105.19 94.84 1rgx n GLY 42 Ca 0.12 -1.68 0.12 0.00 0.00 0.00 0.00 46.02 44.58 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 2.00 -4.65 1.61 5.02 -1.26 -2.80 118.16 118.07 1rgx n LYS 43 Ca 0.00 -1.65 -0.22 0.00 -2.02 0.00 0.00 58.31 54.42 1rgx n LYS 43 Cb 0.00 -1.47 -0.15 0.00 -0.02 0.00 0.00 35.03 33.39 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 -2.14 2.01 -0.06 -0.35 1.43 -1.26 -1.33 118.68 116.99 1rgx s LEU 44 Ca 0.26 -0.26 -0.02 0.00 -1.03 0.00 0.00 54.13 53.08 1rgx s LEU 44 Cb 0.19 -0.73 0.04 0.00 0.03 0.00 0.00 46.19 45.72 1rgx s LEU 44 CO 0.38 0.17 0.12 0.00 0.23 0.00 0.00 176.35 177.25 1rgx s ALA 45 N -0.30 -0.16 0.11 4.21 0.00 -0.70 -4.65 121.76 120.27 1rgx s ALA 45 Ca 0.05 0.57 0.07 0.00 0.00 0.00 0.00 51.96 52.65 1rgx s ALA 45 Cb -0.06 -0.45 -0.04 0.00 0.00 0.00 0.00 23.12 22.57 1rgx s ALA 45 CO -0.00 -0.20 -0.08 -1.54 0.00 0.00 0.00 175.76 173.93 1rgx s SER 46 N 1.30 4.48 0.11 0.00 1.04 -1.26 -0.11 113.70 119.25 1rgx s SER 46 Ca -0.07 -0.37 -0.11 0.00 0.48 0.00 0.00 55.95 55.88 1rgx s SER 46 Cb -0.12 -0.88 -0.06 0.00 0.10 0.00 0.00 66.02 65.06 1rgx s SER 46 CO -0.05 0.17 0.45 0.00 0.98 0.00 0.00 173.24 174.78 1rgx s PRO 48 N -2.01 2.37 0.57 0.00 0.04 -1.26 -4.91 135.00 129.79 1rgx s PRO 48 Ca 0.35 0.97 -0.21 0.00 0.04 0.00 0.00 61.00 62.15 1rgx s PRO 48 Cb -0.14 -1.92 -0.05 0.00 0.04 0.00 0.00 34.50 32.43 1rgx s PRO 48 CO 0.19 -1.51 1.25 0.39 0.04 0.00 0.00 177.00 177.36 1rgx n GLU 49 N -3.41 1.42 -0.80 4.56 -0.58 -1.26 -2.33 120.64 118.24 1rgx n GLU 49 Ca 0.08 0.53 0.00 0.00 -0.42 0.00 0.00 57.16 57.35 1rgx n GLU 49 Cb 0.54 -2.45 0.00 0.00 -0.57 0.00 0.00 31.44 28.96 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 0.92 0.87 3.35 0.62 0.00 -1.26 -5.04 105.19 104.64 1rgx n GLY 50 Ca 0.12 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.46 1.80 0.10 2.61 -4.23 -0.98 -4.76 115.64 106.72 1rgx s THR 51 Ca 0.00 -2.11 0.03 0.00 -1.18 0.00 0.00 61.69 58.43 1rgx s THR 51 Cb 0.00 -1.97 -0.04 0.00 1.34 0.00 0.00 72.50 71.83 1rgx s THR 51 CO 0.00 -0.48 0.12 0.00 -0.54 0.00 0.00 174.62 173.72 1rgx s ALA 52 N -2.60 3.65 -0.25 3.99 0.00 -0.13 -4.85 121.76 121.57 1rgx s ALA 52 Ca 0.20 -1.04 -0.17 0.00 0.00 0.00 0.00 51.96 50.96 1rgx s ALA 52 Cb -0.03 -1.49 -0.03 0.00 0.00 0.00 0.00 23.12 21.57 1rgx s ALA 52 CO 0.07 0.69 0.45 0.08 0.00 0.00 0.00 175.76 177.06 1rgx s VAL 53 N -1.51 5.13 -0.17 0.00 1.01 -1.26 -1.27 120.40 122.32 1rgx s VAL 53 Ca 0.31 0.77 0.17 0.00 0.00 0.00 0.00 61.98 63.23 1rgx s VAL 53 Cb -0.12 -3.78 -0.24 0.00 0.00 0.00 0.00 36.38 32.24 1rgx s VAL 53 CO 0.23 0.15 0.11 0.18 0.00 0.00 0.00 175.10 175.77 1rgx n LEU 54 N 5.21 0.00 -3.76 3.92 7.99 0.42 -5.01 117.00 125.77 1rgx n LEU 54 Ca -0.06 0.00 -0.03 0.00 -0.01 0.00 0.00 56.01 55.91 1rgx n LEU 54 Cb 0.50 0.42 -0.01 0.00 -0.11 0.00 0.00 43.42 44.22 1rgx n LEU 54 CO 0.39 0.42 0.75 -0.94 -1.51 0.00 0.00 177.39 176.50 1rgx s SER 55 N -5.23 -0.16 0.08 -1.43 1.04 -1.25 -5.01 113.70 101.75 1rgx s SER 55 Ca -0.09 -0.41 0.02 0.00 0.48 0.00 0.00 55.95 55.95 1rgx s SER 55 Cb 0.06 0.47 -0.04 0.00 0.10 0.00 0.00 66.02 66.62 1rgx s SER 55 CO 0.79 -0.88 -0.08 0.00 0.98 0.00 0.00 173.24 174.06 1rgx s SER 57 N -2.53 1.77 0.07 0.00 0.15 0.23 -4.98 113.70 108.41 1rgx s SER 57 Ca 0.05 -0.68 0.06 0.00 0.70 0.00 0.00 55.95 56.08 1rgx s SER 57 Cb -0.00 -0.05 -0.03 0.00 -1.71 0.00 0.00 66.02 64.22 1rgx s SER 57 CO -0.02 -0.10 -0.15 0.00 1.20 0.00 0.00 173.24 174.17 1rgx s GLY 59 N -1.68 1.62 -1.74 0.00 0.00 -0.57 -4.29 107.32 100.67 1rgx s GLY 59 Ca -0.00 -0.91 0.00 0.00 0.00 0.00 0.00 44.72 43.81 1rgx s GLY 59 CO 0.02 -0.11 0.00 1.44 0.00 0.00 0.00 173.10 174.46 1rgx n SER 60 N -4.41 -5.73 0.00 1.64 7.64 -1.26 -2.50 113.62 109.00 1rgx n SER 60 Ca 0.12 0.01 0.00 0.00 1.01 0.00 0.00 58.87 60.01 1rgx n SER 60 Cb 0.59 -4.76 0.00 0.00 -1.01 0.00 0.00 64.21 59.03 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 -1.82 0.00 -2.26 -0.43 0.00 -1.26 -4.96 120.51 109.79 1rgx n ALA 61 Ca -0.24 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.78 1rgx n ALA 61 Cb 0.68 -1.08 -0.02 0.00 0.00 0.00 0.00 19.45 19.03 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 4.26 0.59 3.45 0.00 0.00 -1.26 -4.07 105.19 108.17 1rgx n GLY 63 Ca 0.16 -0.56 -0.43 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.88 6.18 0.11 1.61 0.01 -1.26 -5.04 113.70 113.43 1rgx s SER 64 Ca 0.34 -0.89 0.01 0.00 1.31 0.00 0.00 55.95 56.72 1rgx s SER 64 Cb 0.20 -2.22 -0.04 0.00 0.21 0.00 0.00 66.02 64.17 1rgx s SER 64 CO 0.31 -0.64 -0.02 -1.66 0.41 0.00 0.00 173.24 171.64 1rgx s TRP 65 N 2.07 0.89 0.03 2.43 1.48 -1.26 -0.97 118.94 123.60 1rgx s TRP 65 Ca 0.10 -1.03 -0.03 0.00 -1.06 0.00 0.00 56.10 54.08 1rgx s TRP 65 Cb -0.19 -0.53 -0.02 0.00 -1.16 0.00 0.00 33.47 31.57 1rgx s TRP 65 CO 0.11 -0.28 0.04 0.16 -4.06 0.00 0.00 176.95 172.92 1rgx s ASP 66 N -3.05 0.21 -0.24 -2.66 -4.77 -0.31 -4.98 116.67 100.88 1rgx s ASP 66 Ca 0.16 -0.52 -0.11 0.00 -3.30 0.00 0.00 52.55 48.78 1rgx s ASP 66 Cb 0.06 0.17 -0.05 0.00 -1.09 0.00 0.00 42.92 42.02 1rgx s ASP 66 CO -0.02 -0.42 0.19 -0.63 0.70 0.00 0.00 175.17 174.99 1rgx s ILE 67 N -2.13 5.34 -0.18 2.11 1.01 -1.26 -0.37 121.20 125.71 1rgx s ILE 67 Ca -0.09 0.25 -0.13 0.00 0.00 0.00 0.00 60.65 60.68 1rgx s ILE 67 Cb -0.04 -3.53 -0.05 0.00 0.01 0.00 0.00 42.46 38.85 1rgx s ILE 67 CO -0.03 0.33 0.28 -0.13 0.00 0.00 0.00 174.94 175.39 1rgx s ARG 68 N 1.12 4.22 -1.45 2.79 0.52 0.19 -4.45 118.95 121.89 1rgx s ARG 68 Ca 0.09 0.04 -0.02 0.00 -0.52 0.00 0.00 55.73 55.32 1rgx s ARG 68 Cb -0.14 -3.46 0.01 0.00 0.52 0.00 0.00 34.95 31.88 1rgx s ARG 68 CO 0.05 0.17 0.14 0.39 0.02 0.00 0.00 175.30 176.07 1rgx n GLU 69 N 3.82 -2.55 -2.41 3.54 -0.58 -1.26 -0.92 120.64 120.29 1rgx n GLU 69 Ca -0.12 0.80 -0.12 0.00 -0.42 0.00 0.00 57.16 57.30 1rgx n GLU 69 Cb 0.52 -5.48 -0.01 0.00 -0.57 0.00 0.00 31.44 25.90 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 -3.17 -2.20 0.00 3.49 -0.58 -1.26 -4.69 120.64 112.23 1rgx n GLU 70 Ca -0.17 0.60 0.00 0.00 -0.42 0.00 0.00 57.16 57.17 1rgx n GLU 70 Cb 0.64 -5.18 0.00 0.00 -0.57 0.00 0.00 31.44 26.33 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 -2.77 0.00 -4.06 3.49 4.81 -0.30 -4.43 118.16 114.90 1rgx n LYS 71 Ca -0.14 0.00 -0.34 0.00 -0.87 0.00 0.00 58.31 56.96 1rgx n LYS 71 Cb 0.60 -0.47 -0.15 0.00 0.02 0.00 0.00 35.03 35.03 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 -1.00 2.41 0.06 3.15 1.01 -0.10 -0.86 120.40 125.09 1rgx s VAL 72 Ca 0.00 -0.88 -0.31 0.00 0.00 0.00 0.00 61.98 60.79 1rgx s VAL 72 Cb 0.00 -2.07 -0.06 0.00 0.00 0.00 0.00 36.38 34.25 1rgx s VAL 72 CO 0.00 0.46 1.21 0.00 0.00 0.00 0.00 175.10 176.77 1rgx s HIS 74 N 1.06 2.22 -0.09 0.00 5.04 0.50 -1.72 115.29 122.30 1rgx s HIS 74 Ca 0.59 -1.41 -0.26 0.00 -1.54 0.00 0.00 55.06 52.44 1rgx s HIS 74 Cb -0.30 -1.56 -0.03 0.00 0.04 0.00 0.00 32.58 30.73 1rgx s HIS 74 CO 0.29 -0.70 0.82 0.00 -2.34 0.00 0.00 174.74 172.81 1rgx n GLN 76 N 4.38 0.63 -1.73 0.00 6.02 -0.15 -4.88 117.38 121.65 1rgx n GLN 76 Ca 0.03 0.03 -0.34 0.00 -0.01 0.00 0.00 57.00 56.71 1rgx n GLN 76 Cb 0.50 -1.72 0.06 0.00 1.02 0.00 0.00 30.24 30.09 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 0.11 0.15 -3.62 0.00 0.00 -2.00 -3.38 119.26 110.52 1rgx h ALA 78 Ca -0.48 0.12 -0.67 0.00 0.00 0.00 0.00 54.91 53.88 1rgx h ALA 78 Cb 1.27 0.29 -0.26 0.00 0.00 0.00 0.00 17.79 19.09 1rgx h ALA 78 CO 0.53 -0.50 -0.77 0.50 0.00 0.00 0.00 179.25 179.01 1rgx s ARG 79 N -6.19 3.00 -0.06 0.00 3.52 -1.26 -5.10 118.95 112.87 1rgx s ARG 79 Ca -0.14 -0.70 -0.00 0.00 -0.13 0.00 0.00 55.73 54.75 1rgx s ARG 79 Cb 0.13 -2.51 0.03 0.00 -1.56 0.00 0.00 34.95 31.04 1rgx s ARG 79 CO 0.70 0.38 -0.01 0.42 -0.81 0.00 0.00 175.30 175.97 1rgx s ILE 80 N -0.09 0.39 0.08 4.11 -1.09 -1.26 -4.83 121.20 118.51 1rgx s ILE 80 Ca -0.02 0.05 -0.20 0.00 -2.23 0.00 0.00 60.65 58.25 1rgx s ILE 80 Cb -0.14 -0.50 -0.09 0.00 -1.58 0.00 0.00 42.46 40.15 1rgx s ILE 80 CO 0.04 0.23 1.57 0.44 -1.23 0.00 0.00 174.94 175.98 1rgx h ASP 81 N 7.84 0.32 -5.03 3.58 3.45 -1.88 -3.42 116.42 121.29 1rgx h ASP 81 Ca -0.28 -0.24 0.03 0.00 0.43 0.00 0.00 57.03 56.97 1rgx h ASP 81 Cb 1.13 -0.09 -0.07 0.00 -0.56 0.00 0.00 39.33 39.74 1rgx h ASP 81 CO 0.35 0.48 0.17 -1.66 -1.57 0.00 0.00 179.24 177.02 1rgx s TRP 82 N -5.24 -0.21 0.01 4.55 1.48 -1.26 -3.32 118.94 114.95 1rgx s TRP 82 Ca -0.14 -0.18 0.02 0.00 -1.06 0.00 0.00 56.10 54.74 1rgx s TRP 82 Cb 0.07 0.60 -0.01 0.00 -1.16 0.00 0.00 33.47 32.97 1rgx s TRP 82 CO 0.72 -1.10 -0.05 0.99 -4.06 0.00 0.00 176.95 173.45 1rgx s THR 83 N -3.89 0.40 -0.00 0.66 2.01 0.41 -1.51 115.64 113.73 1rgx s THR 83 Ca 0.10 -0.44 0.01 0.00 0.31 0.00 0.00 61.69 61.67 1rgx s THR 83 Cb -0.04 -0.39 -0.00 0.00 0.01 0.00 0.00 72.50 72.08 1rgx s THR 83 CO 0.02 -0.04 -0.04 0.00 -0.69 0.00 0.00 174.62 173.87 1rgx s ALA 84 N -0.47 0.36 -0.07 7.40 0.00 -0.26 -0.41 121.76 128.31 1rgx s ALA 84 Ca -0.02 -0.21 0.03 0.00 0.00 0.00 0.00 51.96 51.77 1rgx s ALA 84 Cb -0.04 -0.08 -0.02 0.00 0.00 0.00 0.00 23.12 22.97 1rgx s ALA 84 CO -0.00 0.08 -0.16 0.00 0.00 0.00 0.00 175.76 175.68 1rgx s ALA 85 N -0.15 2.58 -0.29 0.00 0.00 0.61 -0.60 121.76 123.90 1rgx s ALA 85 Ca 0.01 -0.97 -0.16 0.00 0.00 0.00 0.00 51.96 50.84 1rgx s ALA 85 Cb -0.02 -0.99 -0.02 0.00 0.00 0.00 0.00 23.12 22.09 1rgx s ALA 85 CO -0.00 0.45 0.43 0.50 0.00 0.00 0.00 175.76 177.15 1rgx s ARG 86 N -0.36 3.88 -0.09 0.00 6.06 -0.24 -1.01 118.95 127.18 1rgx s ARG 86 Ca 0.03 0.00 0.02 0.00 -2.50 0.00 0.00 55.73 53.29 1rgx s ARG 86 Cb -0.12 -3.71 -0.02 0.00 0.06 0.00 0.00 34.95 31.16 1rgx s ARG 86 CO 0.02 -0.41 -0.16 0.00 -2.50 0.00 0.00 175.30 172.26 1rgx s LYS 89 N -3.35 0.75 0.43 0.00 -2.85 -0.05 -0.96 119.74 113.71 1rgx s LYS 89 Ca 0.03 -0.71 -0.23 0.00 -1.00 0.00 0.00 55.97 54.06 1rgx s LYS 89 Cb 0.03 0.31 -0.09 0.00 -2.06 0.00 0.00 37.83 36.03 1rgx s LYS 89 CO -0.07 -0.23 1.06 -0.51 0.10 0.00 0.00 175.35 175.70 1rgx s LEU 90 N -2.32 4.04 -0.21 2.77 1.43 -1.26 -0.01 118.68 123.12 1rgx s LEU 90 Ca -0.02 2.04 -0.19 0.00 -1.03 0.00 0.00 54.13 54.93 1rgx s LEU 90 Cb 0.01 -4.30 0.06 0.00 0.03 0.00 0.00 46.19 41.99 1rgx s LEU 90 CO -0.06 -0.62 0.56 -1.58 0.23 0.00 0.00 176.35 174.87 1rgx s GLN 91 N -2.73 0.64 0.02 1.70 0.74 -0.44 -4.84 119.66 114.75 1rgx s GLN 91 Ca 0.61 0.79 -0.30 0.00 0.05 0.00 0.00 55.36 56.51 1rgx s GLN 91 Cb -0.21 0.29 -0.04 0.00 1.10 0.00 0.00 33.01 34.15 1rgx s GLN 91 CO 0.26 -0.08 1.11 0.08 -0.55 0.00 0.00 175.29 176.11 1rgx s VAL 92 N 0.40 4.40 -0.20 1.34 1.01 -1.26 -1.04 120.40 125.05 1rgx s VAL 92 Ca -0.01 1.72 -0.30 0.00 0.00 0.00 0.00 61.98 63.40 1rgx s VAL 92 Cb -0.04 -4.10 -0.07 0.00 0.00 0.00 0.00 36.38 32.17 1rgx s VAL 92 CO -0.01 0.11 2.18 0.00 0.00 0.00 0.00 175.10 177.38 1rgx n ALA 93 N 4.13 1.63 1.04 5.51 0.00 0.30 -4.96 120.51 128.15 1rgx n ALA 93 Ca 0.08 -0.15 0.12 0.00 0.00 0.00 0.00 53.44 53.50 1rgx n ALA 93 Cb 0.48 -2.83 0.13 0.00 0.00 0.00 0.00 19.45 17.24 1rgx n ALA 93 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95