#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 0.02 -0.22 3.04 0.00 -1.26 -5.10 121.76 118.24 1rhx s ALA 2 Ca 0.00 -0.84 -0.04 0.00 0.00 0.00 0.00 51.96 51.07 1rhx s ALA 2 Cb 0.00 0.65 0.08 0.00 0.00 0.00 0.00 23.12 23.85 1rhx s ALA 2 CO 0.00 -0.55 0.10 -0.51 0.00 0.00 0.00 175.76 174.80 1rhx s LEU 3 N -2.92 0.55 -0.38 0.00 1.43 -1.25 -5.02 118.68 111.08 1rhx s LEU 3 Ca 0.12 -0.90 0.05 0.00 -1.03 0.00 0.00 54.13 52.36 1rhx s LEU 3 Cb 0.05 -0.33 0.46 0.00 0.03 0.00 0.00 46.19 46.40 1rhx s LEU 3 CO -0.05 -0.38 1.41 1.33 0.23 0.00 0.00 176.35 178.88 1rhx n VAL 4 N 5.24 2.79 -3.70 -1.59 0.24 -1.25 -3.32 118.33 116.73 1rhx n VAL 4 Ca -0.07 -3.82 -0.11 0.00 -2.04 0.00 0.00 64.34 58.31 1rhx n VAL 4 Cb 0.46 -1.08 -0.11 0.00 -1.47 0.00 0.00 33.84 31.64 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 -3.63 -0.04 -0.35 1.34 0.05 -0.86 -3.95 118.68 111.24 1rhx s LEU 5 Ca 0.54 0.85 0.15 0.00 0.05 0.00 0.00 54.13 55.71 1rhx s LEU 5 Cb 0.43 1.27 0.42 0.00 -2.05 0.00 0.00 46.19 46.26 1rhx s LEU 5 CO 0.02 -0.19 1.01 0.55 -0.55 0.00 0.00 176.35 177.20 1rhx n VAL 6 N 4.27 0.56 -1.86 1.48 3.14 -1.26 -4.54 118.33 120.13 1rhx n VAL 6 Ca -0.23 -2.87 -0.17 0.00 -2.96 0.00 0.00 64.34 58.11 1rhx n VAL 6 Cb 0.55 0.65 0.08 0.00 -1.06 0.00 0.00 33.84 34.05 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 -0.10 3.00 -2.46 1.45 0.00 -1.26 -3.04 118.16 115.74 1rhx n LYS 7 Ca 0.09 -3.87 -0.00 0.00 -0.00 0.00 0.00 58.31 54.52 1rhx n LYS 7 Cb 0.80 -2.10 0.06 0.00 -0.00 0.00 0.00 35.03 33.78 1rhx n LYS 7 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1rhx n TYR 8 N -0.84 0.13 0.00 5.58 4.01 -1.26 -4.24 117.16 120.54 1rhx n TYR 8 Ca 0.39 -1.67 0.00 0.00 -0.16 0.00 0.00 57.90 56.46 1rhx n TYR 8 Cb 0.89 0.29 0.00 0.00 -0.31 0.00 0.00 39.34 40.22 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 -0.64 0.65 2.56 2.72 0.00 -1.21 -4.40 105.19 104.88 1rhx n GLY 9 Ca -0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 46.02 45.98 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 1.18 -2.09 2.61 -2.24 -1.26 -3.82 114.28 108.66 1rhx n THR 10 Ca 0.00 -2.73 -0.14 0.00 -2.27 0.00 0.00 64.05 58.91 1rhx n THR 10 Cb 0.00 1.08 0.06 0.00 -2.10 0.00 0.00 70.33 69.37 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 -0.45 3.72 -3.71 3.42 2.03 -1.26 -5.00 116.55 115.30 1rhx n ASP 11 Ca 0.10 -3.44 -0.08 0.00 0.52 0.00 0.00 54.79 51.88 1rhx n ASP 11 Cb 0.86 -0.39 -0.02 0.00 -0.72 0.00 0.00 41.12 40.85 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 -0.28 0.68 -0.67 -3.43 -1.26 -4.84 115.29 102.06 1rhx s HIS 12 Ca 0.44 -0.08 -0.13 0.00 -0.80 0.00 0.00 55.06 54.50 1rhx s HIS 12 Cb 0.39 0.65 0.01 0.00 -1.43 0.00 0.00 32.58 32.20 1rhx s HIS 12 CO 0.00 -1.06 1.08 -1.25 -2.00 0.00 0.00 174.74 171.51 1rhx s PRO 13 N -3.77 2.81 0.00 -0.38 0.04 -1.26 -4.22 135.00 128.22 1rhx s PRO 13 Ca 0.08 1.19 0.00 0.00 0.04 0.00 0.00 61.00 62.31 1rhx s PRO 13 Cb -0.04 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.54 1rhx s PRO 13 CO 0.00 -1.22 0.00 0.28 0.04 0.00 0.00 177.00 176.11 1rhx n VAL 14 N -2.78 0.00 -2.19 -0.36 0.31 -1.26 -4.73 118.33 107.32 1rhx n VAL 14 Ca 0.09 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.43 1rhx n VAL 14 Cb 0.53 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 33.47 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 0.10 5.55 1.02 -1.26 -1.31 120.64 124.74 1rhx n GLU 15 Ca 0.00 -1.37 0.00 0.00 -0.02 0.00 0.00 57.16 55.77 1rhx n GLU 15 Cb 0.00 -0.31 0.00 0.00 -0.02 0.00 0.00 31.44 31.11 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 0.19 0.00 0.29 3.49 3.00 -1.26 -4.70 118.16 119.17 1rhx n LYS 16 Ca 0.02 0.00 0.17 0.00 -0.00 0.00 0.00 58.31 58.50 1rhx n LYS 16 Cb 0.87 0.00 0.95 0.00 0.00 0.00 0.00 35.03 36.85 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 -0.68 3.14 -0.00 -1.90 0.17 115.31 116.04 1rhx h LEU 17 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 57.88 57.92 1rhx h LEU 17 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 40.61 1rhx h LEU 17 CO 0.00 0.00 0.41 0.07 -0.00 0.00 0.00 178.44 178.92 1rhx h LYS 18 N 0.00 0.75 -0.80 1.13 -0.00 -1.83 -2.62 116.57 113.20 1rhx h LYS 18 Ca 0.02 -0.04 -0.01 0.00 -0.00 0.00 0.00 60.65 60.61 1rhx h LYS 18 Cb 0.11 -0.17 -0.04 0.00 -0.00 0.00 0.00 32.23 32.13 1rhx h LYS 18 CO -0.00 0.49 0.47 0.97 -0.00 0.00 0.00 179.45 181.39 1rhx h ILE 19 N 0.77 1.23 0.00 0.07 2.10 -1.01 0.38 117.51 121.04 1rhx h ILE 19 Ca 0.29 -0.51 -0.03 0.00 1.08 0.00 0.00 64.86 65.69 1rhx h ILE 19 Cb 0.10 0.11 -0.00 0.00 -1.09 0.00 0.00 36.82 35.94 1rhx h ILE 19 CO -0.14 0.24 -0.14 0.03 -1.08 0.00 0.00 178.15 177.05 1rhx h ARG 20 N 1.11 0.00 -0.11 2.19 -0.00 -1.48 -3.42 114.38 112.67 1rhx h ARG 20 Ca 0.29 0.00 0.16 0.00 -0.50 0.00 0.00 59.98 59.93 1rhx h ARG 20 Cb -0.03 0.00 -0.17 0.00 0.00 0.00 0.00 29.97 29.77 1rhx h ARG 20 CO -0.05 0.14 -0.05 -1.12 0.00 0.00 0.00 179.97 178.88 1rhx s SER 21 N -6.02 -0.18 0.16 7.04 0.01 -0.59 -5.14 113.70 108.98 1rhx s SER 21 Ca 0.01 -0.08 -0.23 0.00 1.31 0.00 0.00 55.95 56.96 1rhx s SER 21 Cb 0.10 0.33 0.08 0.00 0.21 0.00 0.00 66.02 66.73 1rhx s SER 21 CO 0.60 -0.02 1.08 0.00 0.41 0.00 0.00 173.24 175.31 1rhx s ALA 22 N 2.10 -1.73 0.00 1.44 0.00 0.02 -4.59 121.76 118.99 1rhx s ALA 22 Ca 0.16 -0.31 0.00 0.00 0.00 0.00 0.00 51.96 51.81 1rhx s ALA 22 Cb 0.03 0.80 0.00 0.00 0.00 0.00 0.00 23.12 23.95 1rhx s ALA 22 CO -0.17 -1.08 0.00 1.17 0.00 0.00 0.00 175.76 175.68 1rhx n LYS 23 N -0.75 0.00 0.07 0.00 3.00 -1.26 -4.93 118.16 114.29 1rhx n LYS 23 Ca -0.02 0.00 -0.03 0.00 -0.00 0.00 0.00 58.31 58.26 1rhx n LYS 23 Cb 0.59 0.00 0.19 0.00 0.00 0.00 0.00 35.03 35.81 1rhx n LYS 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1rhx h ALA 24 N 1.79 1.04 -0.36 3.14 0.00 -1.98 -3.16 119.26 119.73 1rhx h ALA 24 Ca 0.00 -0.42 -0.24 0.00 0.00 0.00 0.00 54.91 54.25 1rhx h ALA 24 Cb 0.00 -0.10 -0.11 0.00 0.00 0.00 0.00 17.79 17.59 1rhx h ALA 24 CO 0.00 0.60 0.31 -1.91 0.00 0.00 0.00 179.25 178.25 1rhx n GLU 25 N -4.03 1.59 -4.55 0.00 0.00 -1.26 -3.94 120.64 108.45 1rhx n GLU 25 Ca -0.01 -1.18 -0.29 0.00 0.00 0.00 0.00 57.16 55.68 1rhx n GLU 25 Cb 0.49 -1.46 -0.09 0.00 0.00 0.00 0.00 31.44 30.37 1rhx n GLU 25 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1rhx s ASP 26 N 0.55 4.08 -0.08 4.31 -1.08 -1.20 -5.07 116.67 118.19 1rhx s ASP 26 Ca 0.23 -1.41 -0.06 0.00 -0.52 0.00 0.00 52.55 50.80 1rhx s ASP 26 Cb 0.18 -0.09 0.03 0.00 -1.46 0.00 0.00 42.92 41.58 1rhx s ASP 26 CO 0.00 -0.62 0.20 -0.54 0.52 0.00 0.00 175.17 174.73 1rhx s LYS 27 N -3.82 0.21 0.18 4.34 3.01 -1.26 -2.75 119.74 119.65 1rhx s LYS 27 Ca 0.27 0.33 -0.19 0.00 -1.01 0.00 0.00 55.97 55.37 1rhx s LYS 27 Cb 0.06 0.03 0.04 0.00 -1.01 0.00 0.00 37.83 36.95 1rhx s LYS 27 CO 0.14 -0.07 0.54 0.42 0.51 0.00 0.00 175.35 176.89 1rhx s ILE 28 N 0.46 0.03 0.08 2.17 1.01 -0.89 -4.81 121.20 119.24 1rhx s ILE 28 Ca -0.03 -0.54 -0.18 0.00 0.00 0.00 0.00 60.65 59.91 1rhx s ILE 28 Cb -0.04 -1.37 0.04 0.00 0.01 0.00 0.00 42.46 41.10 1rhx s ILE 28 CO -0.02 -0.11 0.42 -0.69 0.00 0.00 0.00 174.94 174.53 1rhx s VAL 29 N -3.83 0.06 0.12 2.92 1.01 -1.26 -3.72 120.40 115.70 1rhx s VAL 29 Ca 0.06 -0.49 0.08 0.00 0.00 0.00 0.00 61.98 61.64 1rhx s VAL 29 Cb -0.01 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 35.29 1rhx s VAL 29 CO -0.07 -0.27 -0.15 -0.76 0.00 0.00 0.00 175.10 173.85 1rhx s LEU 30 N -2.34 2.82 0.38 3.92 1.43 -0.52 -4.86 118.68 119.51 1rhx s LEU 30 Ca -0.02 -0.51 0.04 0.00 -1.03 0.00 0.00 54.13 52.62 1rhx s LEU 30 Cb 0.00 -1.64 -0.03 0.00 0.03 0.00 0.00 46.19 44.55 1rhx s LEU 30 CO -0.06 0.17 0.16 0.27 0.23 0.00 0.00 176.35 177.12 1rhx s ILE 31 N -1.19 0.44 0.00 -0.59 -4.36 -1.17 -0.99 121.20 113.33 1rhx s ILE 31 Ca 0.19 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.58 1rhx s ILE 31 Cb -0.11 -2.40 0.00 0.00 1.25 0.00 0.00 42.46 41.20 1rhx s ILE 31 CO 0.11 0.00 0.00 0.00 0.24 0.00 0.00 174.94 175.29 1rhx n GLN 32 N -0.80 0.00 0.03 0.37 1.13 -1.26 0.11 117.38 116.95 1rhx n GLN 32 Ca -0.02 0.00 -0.06 0.00 -1.94 0.00 0.00 57.00 54.97 1rhx n GLN 32 Cb 0.64 0.00 -0.11 0.00 0.11 0.00 0.00 30.24 30.88 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 -1.07 1.08 2.35 -1.80 -3.32 115.58 112.82 1rhx h ASN 33 Ca 0.00 0.00 0.31 0.00 -0.55 0.00 0.00 56.30 56.06 1rhx h ASN 33 Cb 0.00 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.33 1rhx h ASN 33 CO 0.00 0.93 1.09 1.23 -1.65 0.00 0.00 177.43 179.04 1rhx h GLY 34 N 3.28 0.00 0.38 2.83 0.00 -0.25 -0.77 103.07 108.55 1rhx h GLY 34 Ca -0.13 0.00 0.16 0.00 0.00 0.00 0.00 47.33 47.36 1rhx h GLY 34 CO 0.10 0.00 0.66 -0.39 0.00 0.00 0.00 176.54 176.91 1rhx h VAL 35 N 0.00 0.23 -0.85 4.60 -1.51 -1.36 -0.51 116.25 116.85 1rhx h VAL 35 Ca 0.51 0.00 0.25 0.00 -1.23 0.00 0.00 66.70 66.22 1rhx h VAL 35 Cb 2.68 0.46 -0.03 0.00 -2.13 0.00 0.00 31.29 32.27 1rhx h VAL 35 CO -0.01 0.00 0.64 -0.26 -1.23 0.00 0.00 177.57 176.72 1rhx h PHE 36 N 0.00 0.00 0.00 5.19 -1.00 -1.36 -0.75 116.94 119.03 1rhx h PHE 36 Ca 0.26 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 61.03 1rhx h PHE 36 Cb 1.57 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 41.13 1rhx h PHE 36 CO 0.00 0.00 -0.02 -1.49 -1.61 0.00 0.00 178.31 175.19 1rhx h TRP 37 N 0.00 0.00 -0.19 -0.55 4.06 -1.18 -2.77 115.95 115.32 1rhx h TRP 37 Ca 0.40 0.00 -0.12 0.00 2.06 0.00 0.00 58.89 61.23 1rhx h TRP 37 Cb 1.68 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 29.79 1rhx h TRP 37 CO 0.00 0.02 0.16 0.00 -3.56 0.00 0.00 178.44 175.06 1rhx n ALA 38 N -2.17 4.25 0.00 1.49 0.00 -0.29 -3.97 120.51 119.83 1rhx n ALA 38 Ca -0.02 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.77 1rhx n ALA 38 Cb 0.13 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.45 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 0.92 0.00 0.00 0.00 -0.00 -1.04 -0.32 117.00 116.56 1rhx n LEU 39 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.13 1rhx n LEU 39 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.98 1rhx n LEU 39 CO 0.15 0.00 0.00 -0.62 -0.00 0.00 0.00 177.39 176.92 1rhx n GLU 40 N 0.00 3.52 -1.72 1.47 -0.58 -1.25 -5.01 120.64 117.06 1rhx n GLU 40 Ca 0.00 0.00 -0.30 0.00 -0.42 0.00 0.00 57.16 56.44 1rhx n GLU 40 Cb 0.00 0.00 0.05 0.00 -0.57 0.00 0.00 31.44 30.92 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 0.00 3.12 -0.29 3.49 1.02 -1.26 -5.01 120.64 121.71 1rhx n GLU 41 Ca 0.00 -3.74 0.00 0.00 -0.02 0.00 0.00 57.16 53.40 1rhx n GLU 41 Cb 0.00 -2.28 0.00 0.00 -0.02 0.00 0.00 31.44 29.14 1rhx n GLU 41 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1rhx n LEU 42 N -0.78 0.00 -3.72 -4.62 4.32 -1.26 -5.13 117.00 105.81 1rhx n LEU 42 Ca 0.53 0.00 -0.07 0.00 -0.02 0.00 0.00 56.01 56.45 1rhx n LEU 42 Cb 0.76 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 42.54 1rhx n LEU 42 CO 0.59 0.00 0.55 -1.83 -1.22 0.00 0.00 177.39 175.47 1rhx s GLU 43 N 0.17 1.45 0.12 3.23 -1.05 -1.26 -4.99 118.70 116.37 1rhx s GLU 43 Ca 0.00 -0.75 0.08 0.00 -0.15 0.00 0.00 54.97 54.15 1rhx s GLU 43 Cb 0.00 0.53 -0.04 0.00 -0.44 0.00 0.00 34.13 34.18 1rhx s GLU 43 CO 0.00 -0.66 -0.12 -0.08 0.95 0.00 0.00 175.26 175.35 1rhx s THR 44 N -3.64 3.22 -1.49 1.83 -1.32 -0.42 -4.49 115.64 109.32 1rhx s THR 44 Ca 0.09 -1.38 0.30 0.00 -1.21 0.00 0.00 61.69 59.49 1rhx s THR 44 Cb -0.03 -2.51 0.56 0.00 -1.51 0.00 0.00 72.50 69.01 1rhx s THR 44 CO 0.01 0.07 2.07 -0.81 -2.21 0.00 0.00 174.62 173.75 1rhx n PRO 45 N 0.62 0.48 -1.75 7.08 -0.04 -1.26 -4.89 135.00 135.24 1rhx n PRO 45 Ca -0.14 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.03 1rhx n PRO 45 Cb 0.53 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.64 1rhx n PRO 45 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1rhx s ALA 46 N -2.51 2.09 0.22 0.55 0.00 -1.24 -4.57 121.76 116.29 1rhx s ALA 46 Ca 0.30 -0.86 -0.30 0.00 0.00 0.00 0.00 51.96 51.11 1rhx s ALA 46 Cb 0.20 -2.90 -0.09 0.00 0.00 0.00 0.00 23.12 20.34 1rhx s ALA 46 CO 0.45 -2.30 0.98 -1.59 0.00 0.00 0.00 175.76 173.30 1rhx s LYS 47 N -5.61 4.79 -0.02 0.00 -2.85 -1.11 -4.97 119.74 109.96 1rhx s LYS 47 Ca 0.68 1.55 0.01 0.00 -1.00 0.00 0.00 55.97 57.20 1rhx s LYS 47 Cb -0.09 -3.28 0.01 0.00 -2.06 0.00 0.00 37.83 32.41 1rhx s LYS 47 CO 0.52 0.40 -0.01 0.08 0.10 0.00 0.00 175.35 176.44 1rhx s VAL 48 N -0.94 0.22 0.21 1.79 1.01 -1.26 -2.10 120.40 119.33 1rhx s VAL 48 Ca 0.43 -0.01 -0.07 0.00 0.00 0.00 0.00 61.98 62.33 1rhx s VAL 48 Cb -0.27 -0.26 -0.02 0.00 0.00 0.00 0.00 36.38 35.83 1rhx s VAL 48 CO 0.33 0.12 0.29 -0.31 0.00 0.00 0.00 175.10 175.53 1rhx s TYR 49 N 0.57 0.72 0.01 5.22 1.51 -1.24 -4.33 117.35 119.79 1rhx s TYR 49 Ca -0.06 -1.02 -0.12 0.00 -1.01 0.00 0.00 57.07 54.87 1rhx s TYR 49 Cb -0.09 -0.18 0.01 0.00 -0.11 0.00 0.00 41.96 41.59 1rhx s TYR 49 CO -0.01 -0.79 0.24 0.00 -1.11 0.00 0.00 175.55 173.88 1rhx s ALA 50 N -4.07 -0.57 -0.65 3.71 0.00 -0.94 -1.43 121.76 117.81 1rhx s ALA 50 Ca 0.28 0.05 -0.28 0.00 0.00 0.00 0.00 51.96 52.02 1rhx s ALA 50 Cb 0.03 0.15 0.03 0.00 0.00 0.00 0.00 23.12 23.33 1rhx s ALA 50 CO 0.09 -0.28 1.27 0.42 0.00 0.00 0.00 175.76 177.25 1rhx s ILE 51 N -1.72 3.84 0.17 0.00 -1.09 -0.16 -0.98 121.20 121.26 1rhx s ILE 51 Ca -0.11 0.64 -0.27 0.00 -2.23 0.00 0.00 60.65 58.68 1rhx s ILE 51 Cb -0.05 -4.77 0.02 0.00 -1.58 0.00 0.00 42.46 36.09 1rhx s ILE 51 CO 0.01 -1.55 1.56 0.50 -1.23 0.00 0.00 174.94 174.23 1rhx h LYS 52 N 10.05 -0.20 -0.56 2.79 3.64 -1.16 -0.23 116.57 130.90 1rhx h LYS 52 Ca -0.27 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.11 1rhx h LYS 52 Cb 1.06 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.90 1rhx h LYS 52 CO 1.23 -0.13 0.27 0.22 -2.27 0.00 0.00 179.45 178.77 1rhx h ASP 53 N -0.20 0.71 -0.11 4.20 3.58 -1.91 0.34 116.42 123.02 1rhx h ASP 53 Ca 0.18 -0.07 -0.13 0.00 0.42 0.00 0.00 57.03 57.42 1rhx h ASP 53 Cb 0.55 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.41 1rhx h ASP 53 CO -0.73 0.61 -0.38 0.44 -2.88 0.00 0.00 179.24 176.29 1rhx h ASP 54 N 0.79 0.67 -0.35 2.28 3.32 -1.77 0.40 116.42 121.76 1rhx h ASP 54 Ca 0.20 -0.29 -0.08 0.00 0.02 0.00 0.00 57.03 56.88 1rhx h ASP 54 Cb 0.09 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 1rhx h ASP 54 CO -0.03 0.98 -0.08 0.15 -1.72 0.00 0.00 179.24 178.54 1rhx h PHE 55 N 0.52 0.76 -0.57 4.55 3.57 0.08 0.12 116.94 125.98 1rhx h PHE 55 Ca 0.05 -0.16 -0.04 0.00 3.53 0.00 0.00 57.97 61.35 1rhx h PHE 55 Cb 0.89 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.42 1rhx h PHE 55 CO 0.04 0.84 0.20 -0.07 -2.23 0.00 0.00 178.31 177.09 1rhx h LEU 56 N 0.47 0.81 -1.93 0.59 3.38 -0.93 0.03 115.31 117.74 1rhx h LEU 56 Ca 0.09 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1rhx h LEU 56 Cb 0.59 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1rhx h LEU 56 CO 0.03 0.79 0.00 0.00 0.09 0.00 0.00 178.44 179.35 1rhx h ALA 57 N 1.06 1.00 -0.93 1.53 0.00 -0.69 -2.18 119.26 119.05 1rhx h ALA 57 Ca 0.19 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.54 1rhx h ALA 57 Cb 0.25 0.00 -0.28 0.00 0.00 0.00 0.00 17.79 17.76 1rhx h ALA 57 CO -0.01 0.00 0.72 -2.13 0.00 0.00 0.00 179.25 177.83 1rhx n ARG 58 N -2.95 2.38 -1.74 0.00 3.00 0.41 -4.92 116.66 112.84 1rhx n ARG 58 Ca -0.01 -2.93 -0.12 0.00 -0.00 0.00 0.00 57.85 54.79 1rhx n ARG 58 Cb 0.20 -2.15 -0.04 0.00 0.00 0.00 0.00 32.46 30.47 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 -0.88 0.59 3.98 5.14 0.00 -0.82 -4.98 105.19 108.22 1rhx n GLY 59 Ca 0.57 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.40 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 -2.25 3.06 0.33 1.61 2.02 -0.67 -5.03 117.35 116.43 1rhx s TYR 60 Ca 0.00 -0.14 0.08 0.00 -0.37 0.00 0.00 57.07 56.65 1rhx s TYR 60 Cb 0.00 -2.19 -0.04 0.00 -0.40 0.00 0.00 41.96 39.32 1rhx s TYR 60 CO 0.00 -0.23 0.14 0.45 -1.57 0.00 0.00 175.55 174.34 1rhx s SER 61 N -4.24 4.75 0.43 2.29 0.15 -1.26 -4.24 113.70 111.58 1rhx s SER 61 Ca 0.48 -0.71 0.21 0.00 0.70 0.00 0.00 55.95 56.63 1rhx s SER 61 Cb -0.10 -0.80 0.94 0.00 -1.71 0.00 0.00 66.02 64.36 1rhx s SER 61 CO 0.33 -0.25 1.86 -0.33 1.20 0.00 0.00 173.24 176.06 1rhx h GLU 62 N 1.57 0.00 -0.02 5.44 5.08 -1.98 -2.42 114.58 122.25 1rhx h GLU 62 Ca -0.44 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 1rhx h GLU 62 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1rhx h GLU 62 CO 0.62 0.28 -0.07 -1.91 -1.00 0.00 0.00 179.01 176.93 1rhx n GLU 63 N -3.66 1.81 0.19 2.33 2.13 -1.26 -4.04 120.64 118.13 1rhx n GLU 63 Ca -0.01 -1.31 0.08 0.00 0.66 0.00 0.00 57.16 56.58 1rhx n GLU 63 Cb 0.40 -1.47 0.13 0.00 0.27 0.00 0.00 31.44 30.76 1rhx n GLU 63 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 1rhx h ASP 64 N 3.19 0.00 -4.00 4.31 3.32 -1.84 -3.45 116.42 117.95 1rhx h ASP 64 Ca 0.00 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.56 1rhx h ASP 64 Cb 0.72 0.00 0.06 0.00 0.22 0.00 0.00 39.33 40.33 1rhx h ASP 64 CO 0.00 0.22 0.28 -0.55 -1.72 0.00 0.00 179.24 177.46 1rhx s SER 65 N -6.31 5.89 -0.32 6.45 0.15 -1.26 -4.89 113.70 113.41 1rhx s SER 65 Ca 0.05 1.04 0.07 0.00 0.70 0.00 0.00 55.95 57.81 1rhx s SER 65 Cb 0.06 -2.09 0.46 0.00 -1.71 0.00 0.00 66.02 62.75 1rhx s SER 65 CO 0.70 -0.95 1.33 2.29 1.20 0.00 0.00 173.24 177.81 1rhx n LYS 66 N -2.64 2.88 -3.96 5.44 2.85 0.57 -5.02 118.16 118.29 1rhx n LYS 66 Ca 0.04 -3.77 -0.10 0.00 -1.05 0.00 0.00 58.31 53.44 1rhx n LYS 66 Cb 0.56 -2.09 -0.06 0.00 -0.65 0.00 0.00 35.03 32.78 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 -4.18 0.03 -0.21 0.58 -7.23 -1.26 -4.93 120.40 103.19 1rhx s VAL 67 Ca 0.49 -1.35 -0.29 0.00 -1.81 0.00 0.00 61.98 59.03 1rhx s VAL 67 Cb 0.41 -1.98 -0.03 0.00 0.56 0.00 0.00 36.38 35.35 1rhx s VAL 67 CO 0.01 -0.14 1.57 -2.16 -0.31 0.00 0.00 175.10 174.07 1rhx s PRO 68 N -3.99 3.86 -0.51 4.82 0.04 -1.26 -4.91 135.00 133.06 1rhx s PRO 68 Ca 0.19 1.67 -0.29 0.00 0.04 0.00 0.00 61.00 62.62 1rhx s PRO 68 Cb 0.01 -4.00 0.03 0.00 0.04 0.00 0.00 34.50 30.58 1rhx s PRO 68 CO 0.04 -1.21 1.17 -0.51 0.04 0.00 0.00 177.00 176.53 1rhx s LEU 69 N 4.94 3.57 0.44 -3.56 1.43 -1.26 -2.22 118.68 122.03 1rhx s LEU 69 Ca 0.69 0.37 0.07 0.00 -1.03 0.00 0.00 54.13 54.23 1rhx s LEU 69 Cb -0.25 -3.43 -0.02 0.00 0.03 0.00 0.00 46.19 42.52 1rhx s LEU 69 CO 0.28 -1.34 0.31 0.27 0.23 0.00 0.00 176.35 176.10 1rhx s ILE 70 N 4.67 2.33 0.73 -0.59 -4.36 -0.15 -4.76 121.20 119.07 1rhx s ILE 70 Ca 0.47 -1.50 -0.07 0.00 -0.26 0.00 0.00 60.65 59.28 1rhx s ILE 70 Cb -0.07 -2.83 0.08 0.00 1.25 0.00 0.00 42.46 40.88 1rhx s ILE 70 CO 0.30 0.00 1.05 0.42 0.24 0.00 0.00 174.94 176.95 1rhx s THR 71 N -2.58 2.22 0.22 8.37 -4.23 -1.26 -0.61 115.64 117.78 1rhx s THR 71 Ca 0.43 -0.24 -0.07 0.00 -1.18 0.00 0.00 61.69 60.62 1rhx s THR 71 Cb -0.00 -2.98 0.17 0.00 1.34 0.00 0.00 72.50 71.03 1rhx s THR 71 CO 0.25 0.00 1.75 1.88 -0.54 0.00 0.00 174.62 177.95 1rhx h TYR 72 N -0.71 0.48 -0.23 3.99 0.05 -1.95 -1.76 116.97 116.83 1rhx h TYR 72 Ca -0.44 0.03 -0.12 0.00 0.05 0.00 0.00 58.73 58.25 1rhx h TYR 72 Cb 1.31 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 38.93 1rhx h TYR 72 CO 0.20 0.12 -0.36 0.77 -1.05 0.00 0.00 178.16 177.84 1rhx h SER 73 N 0.46 0.54 -0.46 3.88 0.02 -2.00 -1.07 113.55 114.93 1rhx h SER 73 Ca 0.35 -0.22 0.01 0.00 -0.84 0.00 0.00 61.79 61.09 1rhx h SER 73 Cb 0.45 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.81 1rhx h SER 73 CO -0.33 0.86 0.29 -0.33 -1.14 0.00 0.00 176.83 176.17 1rhx h GLU 74 N 0.44 0.56 -0.56 3.45 5.08 -1.89 -2.80 114.58 118.85 1rhx h GLU 74 Ca 0.05 -0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.43 1rhx h GLU 74 Cb 0.83 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.90 1rhx h GLU 74 CO 0.07 0.37 0.27 0.35 -1.00 0.00 0.00 179.01 179.07 1rhx h PHE 75 N 0.58 0.48 -0.66 4.33 3.57 -0.55 -1.96 116.94 122.73 1rhx h PHE 75 Ca 0.17 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.78 1rhx h PHE 75 Cb -0.03 -0.13 -0.07 0.00 2.79 0.00 0.00 35.95 38.51 1rhx h PHE 75 CO -0.06 0.21 0.31 0.82 -2.23 0.00 0.00 178.31 177.36 1rhx h ILE 76 N 0.50 0.85 -0.59 1.41 1.08 -0.97 -0.50 117.51 119.30 1rhx h ILE 76 Ca 0.26 -0.19 0.13 0.00 -0.39 0.00 0.00 64.86 64.67 1rhx h ILE 76 Cb 0.21 0.25 -0.03 0.00 -3.07 0.00 0.00 36.82 34.18 1rhx h ILE 76 CO -0.20 0.10 0.40 -0.78 -0.69 0.00 0.00 178.15 176.98 1rhx h ASP 77 N 0.55 0.23 0.71 1.72 3.58 -1.12 -0.08 116.42 122.02 1rhx h ASP 77 Ca 0.32 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.78 1rhx h ASP 77 Cb 0.33 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.34 1rhx h ASP 77 CO -0.26 0.13 0.00 0.18 -2.88 0.00 0.00 179.24 176.41 1rhx n LEU 78 N -4.44 0.00 -0.00 2.28 4.77 -0.20 -2.56 117.00 116.84 1rhx n LEU 78 Ca 0.10 0.37 0.08 0.00 -0.03 0.00 0.00 56.01 56.54 1rhx n LEU 78 Cb 0.48 -0.37 -0.10 0.00 -2.33 0.00 0.00 43.42 41.10 1rhx n LEU 78 CO 0.35 -0.01 -0.09 0.18 -1.33 0.00 0.00 177.39 176.48 1rhx n LEU 79 N -1.37 0.77 -4.62 2.23 4.77 -0.07 -4.83 117.00 113.87 1rhx n LEU 79 Ca 0.11 -0.46 -0.43 0.00 -0.03 0.00 0.00 56.01 55.20 1rhx n LEU 79 Cb 0.27 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.33 1rhx n LEU 79 CO 0.24 0.19 1.54 -1.61 -1.33 0.00 0.00 177.39 176.42 1rhx s GLU 80 N -2.70 3.57 -0.13 3.23 0.41 -1.03 -0.90 118.70 121.16 1rhx s GLU 80 Ca 0.06 1.79 0.00 0.00 -0.41 0.00 0.00 54.97 56.41 1rhx s GLU 80 Cb 0.13 -4.17 0.00 0.00 -1.78 0.00 0.00 34.13 28.31 1rhx s GLU 80 CO 0.72 -1.58 0.00 0.41 -0.49 0.00 0.00 175.26 174.32 1rhx n GLY 81 N 5.09 0.49 2.99 -1.39 0.00 -1.26 -5.04 105.19 106.05 1rhx n GLY 81 Ca 0.22 -0.90 -0.14 0.00 0.00 0.00 0.00 46.02 45.21 1rhx n GLY 81 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1rhx s GLU 82 N -1.87 0.14 -0.52 1.61 0.41 -0.07 -5.11 118.70 113.29 1rhx s GLU 82 Ca 0.00 0.65 0.03 0.00 -0.41 0.00 0.00 54.97 55.24 1rhx s GLU 82 Cb 0.00 -0.10 0.15 0.00 -1.78 0.00 0.00 34.13 32.40 1rhx s GLU 82 CO 0.00 -0.25 0.33 -1.21 -0.49 0.00 0.00 175.26 173.63 1rhx s GLU 83 N 2.07 1.62 -0.14 1.61 2.02 -1.26 -4.65 118.70 119.97 1rhx s GLU 83 Ca -0.01 -2.46 0.05 0.00 0.02 0.00 0.00 54.97 52.57 1rhx s GLU 83 Cb -0.12 -2.59 0.17 0.00 0.10 0.00 0.00 34.13 31.69 1rhx s GLU 83 CO -0.08 -1.23 0.98 0.36 0.02 0.00 0.00 175.26 175.31 1rhx n LYS 84 N 2.95 0.57 -1.99 1.61 2.85 -1.26 -5.01 118.16 117.87 1rhx n LYS 84 Ca 0.15 -0.72 -0.01 0.00 -1.05 0.00 0.00 58.31 56.67 1rhx n LYS 84 Cb 0.37 0.35 0.06 0.00 -0.65 0.00 0.00 35.03 35.16 1rhx n LYS 84 CO 0.00 0.00 0.00 1.97 -0.05 0.00 0.00 177.40 179.32 1rhx n PHE 85 N -0.64 -0.99 -1.67 5.58 1.16 -1.25 -3.78 117.46 115.86 1rhx n PHE 85 Ca -0.14 -0.85 -0.17 0.00 -1.87 0.00 0.00 57.45 54.42 1rhx n PHE 85 Cb 0.67 1.02 0.12 0.00 -1.61 0.00 0.00 39.48 39.68 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 -0.75 0.00 -0.83 1.97 2.08 -1.21 -4.36 119.36 116.26 1rhx n ILE 86 Ca -0.10 -0.63 0.00 0.00 0.56 0.00 0.00 62.75 62.58 1rhx n ILE 86 Cb 0.68 -1.63 0.00 0.00 -0.75 0.00 0.00 39.64 37.94 1rhx n ILE 86 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72