#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rhx s ALA 2 N 0.00 -0.18 -0.23 3.04 0.00 -1.26 -5.09 121.76 118.03 1rhx s ALA 2 Ca 0.00 -0.34 -0.04 0.00 0.00 0.00 0.00 51.96 51.58 1rhx s ALA 2 Cb 0.00 0.16 0.08 0.00 0.00 0.00 0.00 23.12 23.37 1rhx s ALA 2 CO 0.00 -0.24 0.11 -0.51 0.00 0.00 0.00 175.76 175.12 1rhx s LEU 3 N -1.64 0.49 -0.25 0.00 1.43 -1.26 -5.02 118.68 112.43 1rhx s LEU 3 Ca -0.12 -0.98 0.13 0.00 -1.03 0.00 0.00 54.13 52.13 1rhx s LEU 3 Cb -0.06 -0.31 0.46 0.00 0.03 0.00 0.00 46.19 46.31 1rhx s LEU 3 CO -0.01 -0.40 1.17 1.33 0.23 0.00 0.00 176.35 178.68 1rhx n VAL 4 N 5.25 1.98 -3.66 -1.59 0.24 -1.25 -3.08 118.33 116.23 1rhx n VAL 4 Ca -0.06 -3.50 -0.06 0.00 -2.04 0.00 0.00 64.34 58.68 1rhx n VAL 4 Cb 0.45 -0.24 -0.07 0.00 -1.47 0.00 0.00 33.84 32.51 1rhx n VAL 4 CO 0.00 0.00 0.00 -1.48 -2.14 0.00 0.00 176.83 173.21 1rhx s LEU 5 N -3.31 -0.81 -0.39 1.34 0.05 -1.07 -3.82 118.68 110.68 1rhx s LEU 5 Ca 0.42 1.34 0.11 0.00 0.05 0.00 0.00 54.13 56.05 1rhx s LEU 5 Cb 0.38 2.02 0.33 0.00 -2.05 0.00 0.00 46.19 46.87 1rhx s LEU 5 CO -0.01 -0.22 0.76 0.55 -0.55 0.00 0.00 176.35 176.87 1rhx n VAL 6 N 4.80 -0.20 -1.86 1.48 3.14 -1.26 -4.63 118.33 119.80 1rhx n VAL 6 Ca -0.17 -4.10 -0.14 0.00 -2.96 0.00 0.00 64.34 56.97 1rhx n VAL 6 Cb 0.54 -0.20 0.09 0.00 -1.06 0.00 0.00 33.84 33.21 1rhx n VAL 6 CO 0.00 0.00 0.00 2.29 -6.46 0.00 0.00 176.83 172.66 1rhx n LYS 7 N 0.44 2.89 -2.58 1.45 2.85 -1.26 -3.04 118.16 118.91 1rhx n LYS 7 Ca 0.22 -3.85 -0.00 0.00 -1.05 0.00 0.00 58.31 53.63 1rhx n LYS 7 Cb 0.65 -2.05 0.06 0.00 -0.65 0.00 0.00 35.03 33.03 1rhx n LYS 7 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1rhx n TYR 8 N -0.86 0.51 0.00 5.58 4.01 -1.26 -4.19 117.16 120.95 1rhx n TYR 8 Ca 0.36 -1.80 0.00 0.00 -0.16 0.00 0.00 57.90 56.30 1rhx n TYR 8 Cb 0.88 0.10 0.00 0.00 -0.31 0.00 0.00 39.34 40.00 1rhx n TYR 8 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1rhx n GLY 9 N -0.59 0.85 1.81 2.72 0.00 -1.18 -4.44 105.19 104.37 1rhx n GLY 9 Ca 0.02 0.57 -0.14 0.00 0.00 0.00 0.00 46.02 46.47 1rhx n GLY 9 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1rhx n THR 10 N 0.00 2.61 -2.26 2.61 -2.24 -1.26 -4.16 114.28 109.58 1rhx n THR 10 Ca 0.00 -1.43 -0.12 0.00 -2.27 0.00 0.00 64.05 60.23 1rhx n THR 10 Cb 0.00 -1.33 0.05 0.00 -2.10 0.00 0.00 70.33 66.95 1rhx n THR 10 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1rhx n ASP 11 N 0.48 3.35 -3.78 3.42 2.03 -1.26 -4.97 116.55 115.81 1rhx n ASP 11 Ca 0.25 -3.13 -0.04 0.00 0.52 0.00 0.00 54.79 52.39 1rhx n ASP 11 Cb 0.59 -0.40 -0.02 0.00 -0.72 0.00 0.00 41.12 40.58 1rhx n ASP 11 CO 0.00 0.00 0.00 -1.38 -1.92 0.00 0.00 177.20 173.90 1rhx s HIS 12 N -3.43 -0.14 0.65 -0.67 -3.43 -1.26 -4.79 115.29 102.22 1rhx s HIS 12 Ca 0.41 -0.21 -0.14 0.00 -0.80 0.00 0.00 55.06 54.32 1rhx s HIS 12 Cb 0.38 0.66 -0.01 0.00 -1.43 0.00 0.00 32.58 32.18 1rhx s HIS 12 CO -0.01 -0.96 1.07 -1.25 -2.00 0.00 0.00 174.74 171.59 1rhx s PRO 13 N -3.47 3.03 0.00 -0.38 0.04 -1.26 -4.15 135.00 128.80 1rhx s PRO 13 Ca 0.12 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.33 1rhx s PRO 13 Cb -0.03 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.52 1rhx s PRO 13 CO 0.04 -1.04 0.00 0.28 0.04 0.00 0.00 177.00 176.32 1rhx n VAL 14 N -2.51 0.00 -1.86 -0.36 0.31 -1.26 -4.78 118.33 107.87 1rhx n VAL 14 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 1rhx n VAL 14 Cb 0.53 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.46 1rhx n VAL 14 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1rhx n GLU 15 N 0.00 0.00 0.17 5.55 1.02 -1.26 -3.71 120.64 122.41 1rhx n GLU 15 Ca 0.00 -0.38 0.00 0.00 -0.02 0.00 0.00 57.16 56.76 1rhx n GLU 15 Cb 0.00 -0.22 0.00 0.00 -0.02 0.00 0.00 31.44 31.20 1rhx n GLU 15 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1rhx n LYS 16 N 0.00 0.00 0.27 3.49 3.00 -1.26 -4.64 118.16 119.02 1rhx n LYS 16 Ca 0.00 0.00 0.16 0.00 -0.00 0.00 0.00 58.31 58.47 1rhx n LYS 16 Cb 0.56 0.00 0.89 0.00 0.00 0.00 0.00 35.03 36.49 1rhx n LYS 16 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 1rhx h LEU 17 N 0.00 0.00 -1.04 3.14 -0.00 -1.92 0.20 115.31 115.68 1rhx h LEU 17 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.85 1rhx h LEU 17 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 40.63 1rhx h LEU 17 CO 0.00 0.00 0.34 0.07 -0.00 0.00 0.00 178.44 178.85 1rhx h LYS 18 N 0.00 1.01 0.00 1.13 -0.00 -1.82 -2.61 116.57 114.29 1rhx h LYS 18 Ca 0.03 -0.14 -0.07 0.00 -0.00 0.00 0.00 60.65 60.47 1rhx h LYS 18 Cb 0.15 -0.19 -0.01 0.00 -0.00 0.00 0.00 32.23 32.18 1rhx h LYS 18 CO -0.00 0.79 -0.32 0.97 -0.00 0.00 0.00 179.45 180.88 1rhx h ILE 19 N 1.01 1.00 0.00 0.07 2.10 -0.92 0.55 117.51 121.31 1rhx h ILE 19 Ca 0.25 -1.21 0.00 0.00 1.08 0.00 0.00 64.86 64.98 1rhx h ILE 19 Cb 0.11 1.70 0.00 0.00 -1.09 0.00 0.00 36.82 37.54 1rhx h ILE 19 CO -0.03 0.32 -0.03 0.54 -1.08 0.00 0.00 178.15 177.87 1rhx n ARG 20 N -3.81 0.03 0.00 2.19 3.00 -0.99 -4.74 116.66 112.34 1rhx n ARG 20 Ca -0.01 0.02 0.00 0.00 -0.01 0.00 0.00 57.85 57.85 1rhx n ARG 20 Cb 0.41 -1.54 0.00 0.00 0.00 0.00 0.00 32.46 31.33 1rhx n ARG 20 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1rhx n SER 21 N -1.59 0.00 0.00 0.55 7.64 -0.65 -5.12 113.62 114.45 1rhx n SER 21 Ca 0.07 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.95 1rhx n SER 21 Cb 0.35 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.55 1rhx n SER 21 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rhx n ALA 22 N 0.00 0.00 -3.44 -0.43 0.00 0.09 -4.53 120.51 112.20 1rhx n ALA 22 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 1rhx n ALA 22 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 1rhx n ALA 22 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1rhx n LYS 23 N -0.13 0.19 0.00 0.00 3.00 -1.26 -4.82 118.16 115.13 1rhx n LYS 23 Ca 0.00 -1.18 0.03 0.00 -0.00 0.00 0.00 58.31 57.16 1rhx n LYS 23 Cb 0.00 1.02 0.12 0.00 0.00 0.00 0.00 35.03 36.17 1rhx n LYS 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1rhx n ALA 24 N -2.14 1.27 -1.94 3.14 0.00 -1.26 -3.31 120.51 116.27 1rhx n ALA 24 Ca -0.05 -0.02 -0.13 0.00 0.00 0.00 0.00 53.44 53.25 1rhx n ALA 24 Cb 0.22 -1.09 0.08 0.00 0.00 0.00 0.00 19.45 18.67 1rhx n ALA 24 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1rhx n GLU 25 N -1.48 2.79 -3.83 0.00 0.28 -1.26 -3.99 120.64 113.15 1rhx n GLU 25 Ca 0.01 -3.81 -0.23 0.00 -0.16 0.00 0.00 57.16 52.98 1rhx n GLU 25 Cb 0.06 -1.98 -0.05 0.00 1.43 0.00 0.00 31.44 30.90 1rhx n GLU 25 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1rhx s ASP 26 N -3.45 4.76 -0.05 -1.84 1.11 -1.21 -5.06 116.67 110.92 1rhx s ASP 26 Ca 0.45 -0.90 -0.02 0.00 0.18 0.00 0.00 52.55 52.26 1rhx s ASP 26 Cb 0.39 -0.53 0.03 0.00 1.07 0.00 0.00 42.92 43.88 1rhx s ASP 26 CO -0.00 -0.60 0.04 -0.54 1.18 0.00 0.00 175.17 175.24 1rhx s LYS 27 N -4.02 0.19 0.06 8.23 3.01 -1.26 -2.97 119.74 122.97 1rhx s LYS 27 Ca 0.45 0.27 0.01 0.00 -1.01 0.00 0.00 55.97 55.69 1rhx s LYS 27 Cb 0.00 -0.71 -0.03 0.00 -1.01 0.00 0.00 37.83 36.08 1rhx s LYS 27 CO 0.25 -0.32 -0.06 0.42 0.51 0.00 0.00 175.35 176.15 1rhx s ILE 28 N 2.09 0.44 0.04 2.17 1.09 -0.44 -4.80 121.20 121.81 1rhx s ILE 28 Ca 0.05 -1.42 0.01 0.00 -1.10 0.00 0.00 60.65 58.19 1rhx s ILE 28 Cb -0.12 -1.01 -0.03 0.00 -1.06 0.00 0.00 42.46 40.24 1rhx s ILE 28 CO -0.04 -0.65 -0.06 -0.69 -0.10 0.00 0.00 174.94 173.40 1rhx s VAL 29 N -2.48 0.42 -0.00 2.92 1.01 -1.26 -2.82 120.40 118.19 1rhx s VAL 29 Ca -0.02 -1.22 0.05 0.00 0.00 0.00 0.00 61.98 60.79 1rhx s VAL 29 Cb -0.02 -0.74 -0.03 0.00 0.00 0.00 0.00 36.38 35.58 1rhx s VAL 29 CO -0.03 -0.53 -0.14 -0.76 0.00 0.00 0.00 175.10 173.64 1rhx s LEU 30 N -1.86 2.80 0.39 3.92 1.43 -0.92 -4.72 118.68 119.72 1rhx s LEU 30 Ca -0.07 -0.27 0.05 0.00 -1.03 0.00 0.00 54.13 52.82 1rhx s LEU 30 Cb -0.06 -1.61 -0.02 0.00 0.03 0.00 0.00 46.19 44.52 1rhx s LEU 30 CO -0.02 0.29 0.20 0.27 0.23 0.00 0.00 176.35 177.33 1rhx s ILE 31 N -0.88 0.31 0.00 -0.59 -4.36 -1.17 -0.95 121.20 113.56 1rhx s ILE 31 Ca 0.14 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.53 1rhx s ILE 31 Cb -0.11 -2.37 0.00 0.00 1.25 0.00 0.00 42.46 41.24 1rhx s ILE 31 CO 0.04 0.00 0.00 0.00 0.24 0.00 0.00 174.94 175.22 1rhx n GLN 32 N -0.83 0.00 0.24 0.37 1.13 -1.26 0.23 117.38 117.26 1rhx n GLN 32 Ca -0.01 0.00 0.12 0.00 -1.94 0.00 0.00 57.00 55.17 1rhx n GLN 32 Cb 0.64 0.00 0.55 0.00 0.11 0.00 0.00 30.24 31.53 1rhx n GLN 32 CO 0.00 0.00 0.00 -0.91 -1.44 0.00 0.00 177.06 174.71 1rhx h ASN 33 N 0.00 0.00 -0.85 1.08 2.35 -1.81 -2.90 115.58 113.45 1rhx h ASN 33 Ca 0.00 0.00 0.25 0.00 -0.55 0.00 0.00 56.30 56.00 1rhx h ASN 33 Cb 0.00 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.34 1rhx h ASN 33 CO 0.00 0.16 0.86 1.23 -1.65 0.00 0.00 177.43 178.02 1rhx h GLY 34 N 1.91 0.00 1.64 2.83 0.00 -0.19 0.24 103.07 109.50 1rhx h GLY 34 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1rhx h GLY 34 CO 0.02 0.00 0.17 -0.39 0.00 0.00 0.00 176.54 176.34 1rhx h VAL 35 N 0.00 0.00 0.00 4.60 -1.51 -1.25 -0.89 116.25 117.20 1rhx h VAL 35 Ca 0.40 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.87 1rhx h VAL 35 Cb 2.11 0.68 0.00 0.00 -2.13 0.00 0.00 31.29 31.95 1rhx h VAL 35 CO -0.00 0.00 0.07 0.49 -1.23 0.00 0.00 177.57 176.89 1rhx n PHE 36 N -2.71 0.42 0.20 5.19 3.01 0.06 -1.19 117.46 122.44 1rhx n PHE 36 Ca -0.02 0.22 0.08 0.00 1.01 0.00 0.00 57.45 58.74 1rhx n PHE 36 Cb 0.21 -0.80 0.29 0.00 -0.01 0.00 0.00 39.48 39.17 1rhx n PHE 36 CO 0.00 0.00 0.00 -1.49 1.01 0.00 0.00 176.76 176.28 1rhx h TRP 37 N 0.00 0.00 -0.02 1.38 4.06 -1.40 -3.35 115.95 116.62 1rhx h TRP 37 Ca 0.00 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.93 1rhx h TRP 37 Cb 0.13 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.29 1rhx h TRP 37 CO 0.00 0.29 0.00 0.00 -3.56 0.00 0.00 178.44 175.17 1rhx n ALA 38 N -2.21 4.10 0.00 1.49 0.00 -0.33 -3.51 120.51 120.05 1rhx n ALA 38 Ca 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1rhx n ALA 38 Cb 0.54 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.94 1rhx n ALA 38 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1rhx n LEU 39 N 1.49 0.00 0.00 0.00 -0.00 -1.26 -0.86 117.00 116.37 1rhx n LEU 39 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.03 1rhx n LEU 39 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.93 1rhx n LEU 39 CO 0.02 0.00 0.00 -0.62 -0.00 0.00 0.00 177.39 176.79 1rhx n GLU 40 N 0.00 2.49 -3.16 1.47 -0.58 -1.23 -5.06 120.64 114.57 1rhx n GLU 40 Ca 0.00 0.00 -0.20 0.00 -0.42 0.00 0.00 57.16 56.54 1rhx n GLU 40 Cb 0.00 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 30.83 1rhx n GLU 40 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1rhx n GLU 41 N -0.01 1.32 0.00 3.49 -0.58 -1.26 -5.02 120.64 118.58 1rhx n GLU 41 Ca 0.00 -3.62 0.00 0.00 -0.42 0.00 0.00 57.16 53.12 1rhx n GLU 41 Cb 0.00 -1.75 0.00 0.00 -0.57 0.00 0.00 31.44 29.12 1rhx n GLU 41 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1rhx n LEU 42 N 0.32 0.00 -3.86 -4.62 -0.00 -1.26 -5.11 117.00 102.47 1rhx n LEU 42 Ca 0.26 0.00 -0.08 0.00 -0.00 0.00 0.00 56.01 56.19 1rhx n LEU 42 Cb 0.60 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 44.01 1rhx n LEU 42 CO 0.23 0.00 0.46 -1.83 -0.00 0.00 0.00 177.39 176.25 1rhx s GLU 43 N 4.90 1.91 -0.00 1.96 -1.05 -1.26 -5.10 118.70 120.06 1rhx s GLU 43 Ca 0.00 -1.17 -0.00 0.00 -0.15 0.00 0.00 54.97 53.65 1rhx s GLU 43 Cb 0.00 0.60 0.00 0.00 -0.44 0.00 0.00 34.13 34.29 1rhx s GLU 43 CO 0.00 -0.88 0.01 -0.08 0.95 0.00 0.00 175.26 175.27 1rhx s THR 44 N -3.41 -0.00 -0.47 1.83 -1.32 -1.24 -4.17 115.64 106.85 1rhx s THR 44 Ca 0.14 0.01 0.23 0.00 -1.21 0.00 0.00 61.69 60.86 1rhx s THR 44 Cb -0.05 -0.03 0.05 0.00 -1.51 0.00 0.00 72.50 70.96 1rhx s THR 44 CO 0.09 0.00 1.24 1.55 -2.21 0.00 0.00 174.62 175.29 1rhx h PRO 45 N 6.19 0.00 -7.44 7.08 0.13 -1.91 -3.48 132.00 132.58 1rhx h PRO 45 Ca -0.25 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.38 1rhx h PRO 45 Cb 1.21 0.00 0.08 0.00 0.13 0.00 0.00 31.00 32.42 1rhx h PRO 45 CO 0.50 0.00 0.40 0.00 -0.23 0.00 0.00 178.00 178.67 1rhx s ALA 46 N -3.24 2.78 0.17 -0.56 0.00 -1.24 -4.59 121.76 115.08 1rhx s ALA 46 Ca 0.04 -0.24 -0.30 0.00 0.00 0.00 0.00 51.96 51.45 1rhx s ALA 46 Cb 0.11 -3.06 -0.07 0.00 0.00 0.00 0.00 23.12 20.10 1rhx s ALA 46 CO 0.74 -1.19 0.96 -1.59 0.00 0.00 0.00 175.76 174.68 1rhx s LYS 47 N -5.27 4.77 -0.08 0.00 -2.85 -1.16 -4.97 119.74 110.18 1rhx s LYS 47 Ca 0.58 1.48 -0.03 0.00 -1.00 0.00 0.00 55.97 57.00 1rhx s LYS 47 Cb -0.12 -3.33 0.04 0.00 -2.06 0.00 0.00 37.83 32.37 1rhx s LYS 47 CO 0.53 0.34 0.17 0.08 0.10 0.00 0.00 175.35 176.57 1rhx s VAL 48 N -0.55 -0.15 -0.13 1.79 1.01 -1.25 -1.32 120.40 119.79 1rhx s VAL 48 Ca 0.44 0.25 -0.06 0.00 0.00 0.00 0.00 61.98 62.62 1rhx s VAL 48 Cb -0.25 -0.28 0.06 0.00 0.00 0.00 0.00 36.38 35.91 1rhx s VAL 48 CO 0.31 0.10 0.29 -0.31 0.00 0.00 0.00 175.10 175.50 1rhx s TYR 49 N 1.67 -0.46 0.39 5.22 2.02 -1.13 -4.21 117.35 120.86 1rhx s TYR 49 Ca -0.04 1.01 0.00 0.00 -0.37 0.00 0.00 57.07 57.67 1rhx s TYR 49 Cb -0.12 0.06 -0.02 0.00 -0.40 0.00 0.00 41.96 41.48 1rhx s TYR 49 CO -0.06 -0.33 0.61 0.00 -1.57 0.00 0.00 175.55 174.20 1rhx s ALA 50 N 1.96 3.71 -0.47 3.71 0.00 -0.20 -2.16 121.76 128.31 1rhx s ALA 50 Ca -0.04 -0.95 -0.29 0.00 0.00 0.00 0.00 51.96 50.69 1rhx s ALA 50 Cb -0.11 -2.15 0.03 0.00 0.00 0.00 0.00 23.12 20.89 1rhx s ALA 50 CO -0.09 -0.18 1.19 0.42 0.00 0.00 0.00 175.76 177.10 1rhx s ILE 51 N -2.43 4.15 0.09 0.00 -1.09 -0.12 -0.88 121.20 120.93 1rhx s ILE 51 Ca 0.44 1.18 -0.32 0.00 -2.23 0.00 0.00 60.65 59.72 1rhx s ILE 51 Cb -0.10 -4.54 -0.14 0.00 -1.58 0.00 0.00 42.46 36.11 1rhx s ILE 51 CO 0.37 -0.97 1.60 0.50 -1.23 0.00 0.00 174.94 175.22 1rhx h LYS 52 N 9.47 -0.74 -0.86 2.79 3.64 -1.11 -0.60 116.57 129.16 1rhx h LYS 52 Ca -0.24 0.05 0.10 0.00 -1.27 0.00 0.00 60.65 59.29 1rhx h LYS 52 Cb 1.07 0.17 -0.07 0.00 -0.41 0.00 0.00 32.23 32.98 1rhx h LYS 52 CO 1.12 -0.50 0.50 -0.44 -2.27 0.00 0.00 179.45 177.87 1rhx h ASP 53 N -0.77 0.73 -0.09 4.20 5.19 -1.92 -0.51 116.42 123.25 1rhx h ASP 53 Ca -0.03 0.04 -0.01 0.00 -0.62 0.00 0.00 57.03 56.42 1rhx h ASP 53 Cb 0.70 -0.10 -0.00 0.00 0.18 0.00 0.00 39.33 40.11 1rhx h ASP 53 CO -0.07 0.42 0.01 -0.78 -3.12 0.00 0.00 179.24 175.69 1rhx h ASP 54 N 0.84 0.15 -0.98 6.45 3.58 -1.92 -1.74 116.42 122.81 1rhx h ASP 54 Ca 0.41 -0.28 0.15 0.00 0.42 0.00 0.00 57.03 57.74 1rhx h ASP 54 Cb 0.36 -0.04 -0.09 0.00 1.72 0.00 0.00 39.33 41.28 1rhx h ASP 54 CO -0.24 0.39 0.60 0.15 -2.88 0.00 0.00 179.24 177.25 1rhx h PHE 55 N -0.09 1.06 -0.40 0.28 3.57 0.43 0.58 116.94 122.38 1rhx h PHE 55 Ca 0.03 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.45 1rhx h PHE 55 Cb 0.30 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 38.70 1rhx h PHE 55 CO 0.02 0.33 -0.21 -0.07 -2.23 0.00 0.00 178.31 176.15 1rhx h LEU 56 N 0.85 0.80 -1.18 0.59 3.38 -1.30 -1.07 115.31 117.38 1rhx h LEU 56 Ca 0.53 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1rhx h LEU 56 Cb 0.67 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1rhx h LEU 56 CO -0.33 0.99 0.00 0.00 0.09 0.00 0.00 178.44 179.19 1rhx h ALA 57 N 1.07 1.00 -0.86 1.53 0.00 0.48 -3.26 119.26 119.22 1rhx h ALA 57 Ca 0.10 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.48 1rhx h ALA 57 Cb 0.72 0.00 -0.28 0.00 0.00 0.00 0.00 17.79 18.23 1rhx h ALA 57 CO 0.06 0.00 0.45 -2.13 0.00 0.00 0.00 179.25 177.63 1rhx n ARG 58 N -2.82 2.50 -4.18 0.00 0.00 0.17 -4.94 116.66 107.38 1rhx n ARG 58 Ca 0.01 -3.28 -0.41 0.00 -0.00 0.00 0.00 57.85 54.17 1rhx n ARG 58 Cb 0.29 -2.17 -0.03 0.00 0.00 0.00 0.00 32.46 30.55 1rhx n ARG 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1rhx n GLY 59 N -1.01 -0.55 3.39 5.14 0.00 -1.18 -5.00 105.19 105.98 1rhx n GLY 59 Ca 0.55 0.27 -0.22 0.00 0.00 0.00 0.00 46.02 46.62 1rhx n GLY 59 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1rhx s TYR 60 N -3.86 1.98 0.78 1.61 1.51 -0.87 -5.05 117.35 113.44 1rhx s TYR 60 Ca 0.30 -0.45 -0.09 0.00 -1.01 0.00 0.00 57.07 55.82 1rhx s TYR 60 Cb -0.17 -0.92 0.09 0.00 -0.11 0.00 0.00 41.96 40.86 1rhx s TYR 60 CO 0.99 0.48 1.11 0.45 -1.11 0.00 0.00 175.55 177.47 1rhx s SER 61 N -3.17 4.44 -0.02 2.29 0.15 -1.26 -4.28 113.70 111.85 1rhx s SER 61 Ca 0.23 0.48 -0.24 0.00 0.70 0.00 0.00 55.95 57.13 1rhx s SER 61 Cb -0.04 -0.98 -0.18 0.00 -1.71 0.00 0.00 66.02 63.12 1rhx s SER 61 CO 0.10 -1.88 1.11 -0.33 1.20 0.00 0.00 173.24 173.44 1rhx h GLU 62 N -0.89 -0.19 0.00 5.44 5.08 -1.97 -3.17 114.58 118.88 1rhx h GLU 62 Ca -0.44 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 1rhx h GLU 62 Cb 1.31 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.60 1rhx h GLU 62 CO 0.58 0.23 0.00 -1.91 -1.00 0.00 0.00 179.01 176.91 1rhx n GLU 63 N -4.96 0.18 0.22 2.33 4.07 -1.26 -2.25 120.64 118.97 1rhx n GLU 63 Ca -0.08 0.15 0.09 0.00 -0.06 0.00 0.00 57.16 57.25 1rhx n GLU 63 Cb 0.26 -1.50 0.52 0.00 -0.06 0.00 0.00 31.44 30.66 1rhx n GLU 63 CO 0.00 0.00 0.00 -0.44 -0.06 0.00 0.00 177.13 176.63 1rhx h ASP 64 N 0.00 0.00 -3.25 4.31 3.32 -1.95 -3.42 116.42 115.43 1rhx h ASP 64 Ca 0.00 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.46 1rhx h ASP 64 Cb 0.20 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 39.67 1rhx h ASP 64 CO 0.00 0.24 0.51 -0.55 -1.72 0.00 0.00 179.24 177.72 1rhx s SER 65 N -6.36 6.93 -0.11 6.45 0.15 -0.95 -4.83 113.70 114.98 1rhx s SER 65 Ca -0.01 1.16 -0.00 0.00 0.70 0.00 0.00 55.95 57.79 1rhx s SER 65 Cb 0.12 -2.46 0.10 0.00 -1.71 0.00 0.00 66.02 62.06 1rhx s SER 65 CO 0.64 -0.50 1.77 2.29 1.20 0.00 0.00 173.24 178.64 1rhx n LYS 66 N 5.78 1.29 -3.72 5.44 2.85 -0.04 -4.80 118.16 124.96 1rhx n LYS 66 Ca 0.06 -0.60 -0.10 0.00 -1.05 0.00 0.00 58.31 56.62 1rhx n LYS 66 Cb 0.48 -1.24 -0.06 0.00 -0.65 0.00 0.00 35.03 33.56 1rhx n LYS 66 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 1rhx s VAL 67 N -0.83 0.09 0.05 0.58 -7.23 -1.26 -4.92 120.40 106.89 1rhx s VAL 67 Ca 0.12 -0.74 -0.31 0.00 -1.81 0.00 0.00 61.98 59.24 1rhx s VAL 67 Cb 0.09 -1.14 -0.08 0.00 0.56 0.00 0.00 36.38 35.82 1rhx s VAL 67 CO 0.00 -0.41 1.63 -2.16 -0.31 0.00 0.00 175.10 173.85 1rhx s PRO 68 N -3.40 4.21 -0.49 4.82 0.04 -1.26 -4.76 135.00 134.16 1rhx s PRO 68 Ca 0.01 2.28 -0.23 0.00 0.04 0.00 0.00 61.00 63.10 1rhx s PRO 68 Cb 0.02 -3.63 0.04 0.00 0.04 0.00 0.00 34.50 30.96 1rhx s PRO 68 CO -0.09 -0.73 0.80 -0.51 0.04 0.00 0.00 177.00 176.51 1rhx s LEU 69 N 2.75 4.34 0.44 -3.56 1.43 -1.26 -1.04 118.68 121.78 1rhx s LEU 69 Ca 0.73 -0.34 0.07 0.00 -1.03 0.00 0.00 54.13 53.56 1rhx s LEU 69 Cb -0.38 -2.82 -0.03 0.00 0.03 0.00 0.00 46.19 42.99 1rhx s LEU 69 CO 0.31 -1.00 0.27 0.27 0.23 0.00 0.00 176.35 176.43 1rhx s ILE 70 N 3.35 2.27 0.66 -0.59 -4.36 -0.06 -4.73 121.20 117.75 1rhx s ILE 70 Ca 0.27 -1.57 -0.08 0.00 -0.26 0.00 0.00 60.65 59.01 1rhx s ILE 70 Cb -0.14 -2.85 0.03 0.00 1.25 0.00 0.00 42.46 40.76 1rhx s ILE 70 CO 0.19 0.00 0.99 0.42 0.24 0.00 0.00 174.94 176.79 1rhx s THR 71 N -2.60 3.15 0.62 8.37 -4.23 -1.26 -0.54 115.64 119.15 1rhx s THR 71 Ca 0.41 0.05 0.33 0.00 -1.18 0.00 0.00 61.69 61.29 1rhx s THR 71 Cb 0.01 -3.31 0.37 0.00 1.34 0.00 0.00 72.50 70.91 1rhx s THR 71 CO 0.23 -0.35 2.16 1.88 -0.54 0.00 0.00 174.62 178.00 1rhx h TYR 72 N -0.46 0.00 0.02 3.99 0.05 -1.97 -1.61 116.97 117.00 1rhx h TYR 72 Ca -0.45 0.00 -0.34 0.00 0.05 0.00 0.00 58.73 57.99 1rhx h TYR 72 Cb 1.28 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.96 1rhx h TYR 72 CO 0.43 0.00 -2.04 -1.13 -1.05 0.00 0.00 178.16 174.37 1rhx n SER 73 N -3.51 0.92 -0.36 3.88 3.41 -1.26 -3.34 113.62 113.36 1rhx n SER 73 Ca -0.01 0.20 0.04 0.00 -0.26 0.00 0.00 58.87 58.85 1rhx n SER 73 Cb 0.24 0.10 0.20 0.00 -0.26 0.00 0.00 64.21 64.49 1rhx n SER 73 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1rhx h GLU 74 N 0.01 1.02 -0.35 4.33 5.08 -1.87 -2.19 114.58 120.62 1rhx h GLU 74 Ca -0.42 -0.06 0.05 0.00 -1.00 0.00 0.00 59.36 57.94 1rhx h GLU 74 Cb 2.08 -0.23 -0.05 0.00 0.50 0.00 0.00 28.75 31.05 1rhx h GLU 74 CO 0.05 0.68 0.05 0.35 -1.00 0.00 0.00 179.01 179.14 1rhx h PHE 75 N 1.06 0.09 -0.33 4.33 3.57 -1.38 -2.45 116.94 121.82 1rhx h PHE 75 Ca 0.45 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.97 1rhx h PHE 75 Cb 0.31 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.05 1rhx h PHE 75 CO -0.01 -0.00 0.20 0.82 -2.23 0.00 0.00 178.31 177.09 1rhx h ILE 76 N 0.17 1.10 -0.06 1.41 1.08 -1.40 0.12 117.51 119.92 1rhx h ILE 76 Ca 0.17 -0.21 -0.05 0.00 -0.39 0.00 0.00 64.86 64.37 1rhx h ILE 76 Cb 0.20 0.63 -0.01 0.00 -3.07 0.00 0.00 36.82 34.57 1rhx h ILE 76 CO -0.23 0.10 -0.22 -0.78 -0.69 0.00 0.00 178.15 176.33 1rhx h ASP 77 N 0.46 0.09 -0.01 1.72 3.58 -1.20 0.17 116.42 121.22 1rhx h ASP 77 Ca 0.12 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.55 1rhx h ASP 77 Cb -0.02 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.01 1rhx h ASP 77 CO -0.02 0.32 0.00 0.18 -2.88 0.00 0.00 179.24 176.83 1rhx n LEU 78 N -4.24 0.29 -0.00 2.28 4.77 0.01 -4.12 117.00 115.99 1rhx n LEU 78 Ca -0.02 -0.10 -0.02 0.00 -0.03 0.00 0.00 56.01 55.84 1rhx n LEU 78 Cb 0.30 -0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.38 1rhx n LEU 78 CO 0.38 0.05 -0.12 0.18 -1.33 0.00 0.00 177.39 176.55 1rhx n LEU 79 N -0.73 0.65 0.00 2.23 4.77 -0.71 -4.86 117.00 118.36 1rhx n LEU 79 Ca 0.21 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 1rhx n LEU 79 Cb 0.15 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 1rhx n LEU 79 CO 0.16 -0.53 0.00 -0.62 -1.33 0.00 0.00 177.39 175.07 1rhx n GLU 80 N -3.12 0.00 -0.27 3.23 1.02 0.51 -0.30 120.64 121.71 1rhx n GLU 80 Ca -0.02 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 57.21 1rhx n GLU 80 Cb 0.09 0.00 0.20 0.00 -0.02 0.00 0.00 31.44 31.71 1rhx n GLU 80 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1rhx n GLY 81 N 0.00 4.44 2.62 0.62 0.00 -1.26 -4.86 105.19 106.75 1rhx n GLY 81 Ca 0.00 -1.09 -0.26 0.00 0.00 0.00 0.00 46.02 44.67 1rhx n GLY 81 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1rhx n GLU 82 N -0.95 3.29 -1.61 1.61 -0.58 0.59 -5.00 120.64 118.00 1rhx n GLU 82 Ca 0.19 -4.57 -0.41 0.00 -0.42 0.00 0.00 57.16 51.94 1rhx n GLU 82 Cb 0.77 -2.22 -0.01 0.00 -0.57 0.00 0.00 31.44 29.42 1rhx n GLU 82 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1rhx n GLU 83 N -0.39 2.85 -2.55 3.49 1.02 -1.26 -4.42 120.64 119.38 1rhx n GLU 83 Ca 0.36 -2.47 0.01 0.00 -0.02 0.00 0.00 57.16 55.04 1rhx n GLU 83 Cb 0.58 -3.18 0.04 0.00 -0.02 0.00 0.00 31.44 28.87 1rhx n GLU 83 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1rhx n LYS 84 N 5.79 1.37 0.00 3.49 5.02 -1.26 -4.90 118.16 127.68 1rhx n LYS 84 Ca 0.55 -3.20 0.00 0.00 -2.02 0.00 0.00 58.31 53.65 1rhx n LYS 84 Cb 0.36 -1.28 0.00 0.00 -0.02 0.00 0.00 35.03 34.10 1rhx n LYS 84 CO 0.00 0.00 0.00 1.97 -0.52 0.00 0.00 177.40 178.85 1rhx n PHE 85 N -0.37 0.00 -2.44 2.13 1.16 -1.26 -4.87 117.46 111.81 1rhx n PHE 85 Ca 0.07 0.00 -0.16 0.00 -1.87 0.00 0.00 57.45 55.49 1rhx n PHE 85 Cb 0.87 0.00 0.08 0.00 -1.61 0.00 0.00 39.48 38.83 1rhx n PHE 85 CO 0.00 0.00 0.00 -0.89 -1.87 0.00 0.00 176.76 174.00 1rhx n ILE 86 N 0.00 0.00 0.00 1.97 2.08 -1.18 -4.61 119.36 117.62 1rhx n ILE 86 Ca 0.00 -1.03 0.00 0.00 0.56 0.00 0.00 62.75 62.28 1rhx n ILE 86 Cb 0.00 -1.09 0.00 0.00 -0.75 0.00 0.00 39.64 37.80 1rhx n ILE 86 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72