#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 -0.79 -0.93 -5.12 0.00 -1.26 -5.10 121.76 108.56 1rhx s ALA 2 Ca 0.00 0.34 -0.09 0.00 0.00 0.00 0.00 51.96 52.21 1rhx s ALA 2 Cb 0.00 0.06 0.24 0.00 0.00 0.00 0.00 23.12 23.42 1rhx s ALA 2 CO 0.00 -0.26 0.88 -0.51 0.00 0.00 0.00 175.76 175.87 1rhx s LEU 3 N -1.30 6.30 -0.38 0.00 1.43 -1.26 -4.81 118.68 118.66 1rhx s LEU 3 Ca -0.13 -3.21 0.12 0.00 -1.03 0.00 0.00 54.13 49.88 1rhx s LEU 3 Cb -0.05 -2.14 0.43 0.00 0.03 0.00 0.00 46.19 44.46 1rhx s LEU 3 CO 0.04 -0.39 1.00 0.52 0.23 0.00 0.00 176.35 177.75 1rhx n VAL 4 N 3.20 1.55 -2.71 -1.59 0.31 -1.25 -1.87 118.33 115.97 1rhx n VAL 4 Ca 0.18 -4.02 -0.07 0.00 -0.01 0.00 0.00 64.34 60.43 1rhx n VAL 4 Cb 0.42 -0.25 0.09 0.00 -0.91 0.00 0.00 33.84 33.18 1rhx n VAL 4 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1rhx n LEU 5 N -0.21 -2.07 -1.50 7.52 -0.00 -0.43 -4.31 117.00 116.01 1rhx n LEU 5 Ca 0.23 -2.93 -0.00 0.00 -0.00 0.00 0.00 56.01 53.30 1rhx n LEU 5 Cb 0.72 0.88 0.00 0.00 -0.00 0.00 0.00 43.42 45.03 1rhx n LEU 5 CO 0.29 1.88 0.99 0.55 -0.00 0.00 0.00 177.39 181.11 1rhx n VAL 6 N 0.82 1.99 -1.79 1.47 3.14 -1.13 -4.16 118.33 118.67 1rhx n VAL 6 Ca 0.03 -0.51 -0.15 0.00 -2.96 0.00 0.00 64.34 60.75 1rhx n VAL 6 Cb 0.70 -1.48 0.09 0.00 -1.06 0.00 0.00 33.84 32.09 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 1.45 2.83 -2.36 1.45 2.85 -1.26 -2.58 118.16 120.53 1rhx n LYS 7 Ca 0.01 -3.77 -0.00 0.00 -1.05 0.00 0.00 58.31 53.50 1rhx n LYS 7 Cb 0.50 -2.06 0.05 0.00 -0.65 0.00 0.00 35.03 32.87 1rhx n LYS 7 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 177.40 178.33 1rhx n TYR 8 N -0.88 0.11 0.00 5.58 4.19 -1.26 -4.21 117.16 120.69 1rhx n TYR 8 Ca 0.38 -1.56 0.00 0.00 3.31 0.00 0.00 57.90 60.03 1rhx n TYR 8 Cb 0.89 0.28 0.00 0.00 0.49 0.00 0.00 39.34 40.99 1rhx n TYR 8 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1rhx n GLY 9 N -0.55 1.21 1.72 2.98 0.00 -1.17 -4.29 105.19 105.09 1rhx n GLY 9 Ca -0.02 0.53 -0.11 0.00 0.00 0.00 0.00 46.02 46.41 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 2.43 -2.26 2.61 -2.24 -1.26 -4.27 114.28 109.29 1rhx n THR 10 Ca 0.00 -1.21 -0.13 0.00 -2.27 0.00 0.00 64.05 60.44 1rhx n THR 10 Cb 0.00 -1.30 0.04 0.00 -2.10 0.00 0.00 70.33 66.97 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 0.59 3.49 -3.69 3.42 2.03 -1.26 -4.97 116.55 116.16 1rhx n ASP 11 Ca 0.21 -3.16 -0.07 0.00 0.52 0.00 0.00 54.79 52.28 1rhx n ASP 11 Cb 0.60 -0.40 -0.01 0.00 -0.72 0.00 0.00 41.12 40.59 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 -3.49 -0.10 0.84 -0.67 -3.43 -1.26 -4.82 115.29 102.37 1rhx s HIS 12 Ca 0.42 -0.40 -0.12 0.00 -0.80 0.00 0.00 55.06 54.16 1rhx s HIS 12 Cb 0.38 0.70 0.10 0.00 -1.43 0.00 0.00 32.58 32.33 1rhx s HIS 12 CO -0.00 -1.29 1.15 -1.25 -2.00 0.00 0.00 174.74 171.35 1rhx s PRO 13 N -3.62 1.70 0.00 -0.38 0.04 -1.26 -4.37 135.00 127.11 1rhx s PRO 13 Ca 0.12 0.23 0.00 0.00 0.04 0.00 0.00 61.00 61.39 1rhx s PRO 13 Cb -0.06 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.58 1rhx s PRO 13 CO 0.08 -1.80 0.00 0.28 0.04 0.00 0.00 177.00 175.60 1rhx n VAL 14 N -3.48 0.00 -2.37 -0.36 0.31 -1.26 -4.78 118.33 106.38 1rhx n VAL 14 Ca 0.07 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.41 1rhx n VAL 14 Cb 0.60 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 33.52 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 0.01 0.02 5.55 1.02 -1.26 -3.38 120.64 122.60 1rhx n GLU 15 Ca 0.00 -1.74 0.00 0.00 -0.02 0.00 0.00 57.16 55.40 1rhx n GLU 15 Cb 0.00 0.13 0.00 0.00 -0.02 0.00 0.00 31.44 31.55 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 0.36 0.00 0.09 3.49 3.00 -1.26 -4.57 118.16 119.26 1rhx n LYS 16 Ca -0.03 0.00 0.18 0.00 -0.00 0.00 0.00 58.31 58.46 1rhx n LYS 16 Cb 1.03 0.00 0.72 0.00 0.00 0.00 0.00 35.03 36.78 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 -1.18 3.14 3.38 -1.92 0.27 115.31 119.00 1rhx h LEU 17 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1rhx h LEU 17 Cb 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1rhx h LEU 17 CO 0.00 0.00 0.28 0.07 0.09 0.00 0.00 178.44 178.88 1rhx h LYS 18 N 0.00 0.85 0.00 1.13 -0.00 -1.84 -1.99 116.57 114.73 1rhx h LYS 18 Ca 0.18 -0.11 -0.08 0.00 -0.00 0.00 0.00 60.65 60.64 1rhx h LYS 18 Cb 0.78 -0.16 -0.01 0.00 -0.00 0.00 0.00 32.23 32.84 1rhx h LYS 18 CO -0.00 0.67 -0.36 0.97 -0.00 0.00 0.00 179.45 180.73 1rhx h ILE 19 N 0.85 0.87 -0.01 0.07 2.10 -0.77 0.20 117.51 120.83 1rhx h ILE 19 Ca 0.21 -1.46 -0.17 0.00 1.08 0.00 0.00 64.86 64.51 1rhx h ILE 19 Cb 0.10 1.89 -0.02 0.00 -1.09 0.00 0.00 36.82 37.71 1rhx h ILE 19 CO -0.03 0.35 -0.78 0.03 -1.08 0.00 0.00 178.15 176.65 1rhx h ARG 20 N 0.00 0.12 -0.48 2.19 2.47 -1.33 -3.43 114.38 113.92 1rhx h ARG 20 Ca -0.00 -0.12 0.13 0.00 -1.26 0.00 0.00 59.98 58.73 1rhx h ARG 20 Cb 0.87 0.03 -0.19 0.00 -1.65 0.00 0.00 29.97 29.03 1rhx h ARG 20 CO 0.05 0.84 -0.16 -1.12 0.56 0.00 0.00 179.97 180.13 1rhx s SER 21 N -6.87 -0.77 -0.22 7.04 0.01 -0.81 -5.12 113.70 106.96 1rhx s SER 21 Ca -0.02 -0.07 -0.33 0.00 1.31 0.00 0.00 55.95 56.84 1rhx s SER 21 Cb 0.11 1.30 0.16 0.00 0.21 0.00 0.00 66.02 67.80 1rhx s SER 21 CO 0.80 -0.12 1.24 0.00 0.41 0.00 0.00 173.24 175.57 1rhx s ALA 22 N 2.57 -2.08 0.00 1.44 0.00 0.66 -4.40 121.76 119.95 1rhx s ALA 22 Ca 0.20 1.72 0.00 0.00 0.00 0.00 0.00 51.96 53.88 1rhx s ALA 22 Cb -0.02 -0.71 0.00 0.00 0.00 0.00 0.00 23.12 22.39 1rhx s ALA 22 CO -0.20 -0.43 0.00 1.17 0.00 0.00 0.00 175.76 176.31 1rhx n LYS 23 N 0.25 1.74 0.04 0.00 3.00 -1.26 -4.80 118.16 117.12 1rhx n LYS 23 Ca -0.01 0.00 -0.10 0.00 -0.00 0.00 0.00 58.31 58.20 1rhx n LYS 23 Cb 0.58 0.00 0.03 0.00 0.00 0.00 0.00 35.03 35.65 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 1.00 0.61 -0.81 3.14 0.00 -1.97 -3.05 119.26 118.18 1rhx h ALA 24 Ca 0.00 -0.58 -0.75 0.00 0.00 0.00 0.00 54.91 53.58 1rhx h ALA 24 Cb 0.00 -0.06 -0.14 0.00 0.00 0.00 0.00 17.79 17.59 1rhx h ALA 24 CO 0.00 0.74 2.15 0.39 0.00 0.00 0.00 179.25 182.53 1rhx n GLU 25 N -3.87 3.51 -4.32 0.00 -0.58 -1.26 -3.91 120.64 110.20 1rhx n GLU 25 Ca -0.04 -3.41 -0.16 0.00 -0.42 0.00 0.00 57.16 53.12 1rhx n GLU 25 Cb 0.68 -2.98 -0.10 0.00 -0.57 0.00 0.00 31.44 28.47 1rhx n GLU 25 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1rhx s ASP 26 N 1.26 1.31 -0.06 1.62 -1.08 -1.16 -5.07 116.67 113.49 1rhx s ASP 26 Ca 0.41 -1.35 0.01 0.00 -0.52 0.00 0.00 52.55 51.10 1rhx s ASP 26 Cb 0.10 0.13 0.02 0.00 -1.46 0.00 0.00 42.92 41.71 1rhx s ASP 26 CO -0.01 -0.69 -0.06 -0.54 0.52 0.00 0.00 175.17 174.40 1rhx s LYS 27 N -4.00 1.02 0.09 4.34 1.02 -1.26 -2.39 119.74 118.56 1rhx s LYS 27 Ca 0.36 -0.15 -0.19 0.00 0.02 0.00 0.00 55.97 56.01 1rhx s LYS 27 Cb 0.08 -1.03 0.04 0.00 -0.52 0.00 0.00 37.83 36.40 1rhx s LYS 27 CO 0.12 -0.11 0.46 0.42 -0.92 0.00 0.00 175.35 175.33 1rhx s ILE 28 N 1.07 0.05 0.02 2.17 1.01 -0.94 -4.80 121.20 119.78 1rhx s ILE 28 Ca -0.08 -0.39 -0.16 0.00 0.00 0.00 0.00 60.65 60.01 1rhx s ILE 28 Cb -0.14 -1.04 0.03 0.00 0.01 0.00 0.00 42.46 41.31 1rhx s ILE 28 CO -0.01 -0.21 0.36 -0.69 0.00 0.00 0.00 174.94 174.39 1rhx s VAL 29 N -3.10 0.06 -0.02 2.92 1.01 -1.26 -3.65 120.40 116.36 1rhx s VAL 29 Ca -0.02 -0.51 0.07 0.00 0.00 0.00 0.00 61.98 61.52 1rhx s VAL 29 Cb 0.00 -0.85 -0.02 0.00 0.00 0.00 0.00 36.38 35.51 1rhx s VAL 29 CO -0.07 -0.28 -0.22 -0.76 0.00 0.00 0.00 175.10 173.77 1rhx s LEU 30 N -1.76 2.30 0.00 3.92 1.43 0.05 -4.91 118.68 119.71 1rhx s LEU 30 Ca -0.08 -0.39 0.05 0.00 -1.03 0.00 0.00 54.13 52.68 1rhx s LEU 30 Cb -0.02 -1.41 -0.02 0.00 0.03 0.00 0.00 46.19 44.77 1rhx s LEU 30 CO 0.00 0.32 0.18 2.30 0.23 0.00 0.00 176.35 179.38 1rhx n ILE 31 N 2.31 0.00 0.00 -0.59 -5.35 -1.19 -1.02 119.36 113.52 1rhx n ILE 31 Ca -0.16 -1.91 0.00 0.00 -0.27 0.00 0.00 62.75 60.41 1rhx n ILE 31 Cb 0.51 0.84 0.00 0.00 -1.74 0.00 0.00 39.64 39.26 1rhx n ILE 31 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1rhx n GLN 32 N -0.59 0.00 -0.02 6.28 1.13 -1.26 0.65 117.38 123.57 1rhx n GLN 32 Ca 0.02 0.00 0.02 0.00 -1.94 0.00 0.00 57.00 55.09 1rhx n GLN 32 Cb 0.48 0.00 -0.09 0.00 0.11 0.00 0.00 30.24 30.74 1rhx n GLN 32 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1rhx n ASN 33 N 0.17 2.35 -0.50 1.08 3.02 -1.26 -4.39 115.26 115.73 1rhx n ASN 33 Ca 0.00 0.00 0.42 0.00 -0.03 0.00 0.00 54.58 54.97 1rhx n ASN 33 Cb 0.00 1.24 0.73 0.00 -0.61 0.00 0.00 39.78 41.14 1rhx n ASN 33 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1rhx h GLY 34 N 2.12 0.48 1.31 7.41 0.00 0.49 -0.49 103.07 114.38 1rhx h GLY 34 Ca -0.11 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.17 1rhx h GLY 34 CO 0.01 -0.13 0.34 -0.39 0.00 0.00 0.00 176.54 176.37 1rhx h VAL 35 N 0.05 0.00 0.00 4.60 -1.51 -1.47 -0.35 116.25 117.57 1rhx h VAL 35 Ca 0.79 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 66.26 1rhx h VAL 35 Cb 2.87 0.65 0.00 0.00 -2.13 0.00 0.00 31.29 32.68 1rhx h VAL 35 CO -0.15 0.00 0.11 0.49 -1.23 0.00 0.00 177.57 176.78 1rhx n PHE 36 N -2.87 0.32 0.21 5.19 3.01 -0.20 -1.93 117.46 121.19 1rhx n PHE 36 Ca -0.02 0.17 0.09 0.00 1.01 0.00 0.00 57.45 58.70 1rhx n PHE 36 Cb 0.39 -0.69 0.42 0.00 -0.01 0.00 0.00 39.48 39.59 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 -0.10 1.38 4.06 -1.30 -3.34 115.95 116.65 1rhx h TRP 37 Ca 0.00 0.00 -0.07 0.00 2.06 0.00 0.00 58.89 60.88 1rhx h TRP 37 Cb 0.21 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.34 1rhx h TRP 37 CO 0.00 0.25 0.08 0.00 -3.56 0.00 0.00 178.44 175.21 1rhx n ALA 38 N -2.23 3.93 0.00 1.49 0.00 -0.81 -3.10 120.51 119.79 1rhx n ALA 38 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1rhx n ALA 38 Cb 0.45 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.83 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 1.06 0.00 0.00 0.00 -0.00 -1.25 -1.84 117.00 114.97 1rhx n LEU 39 Ca 0.06 0.00 -0.07 0.00 -0.00 0.00 0.00 56.01 56.00 1rhx n LEU 39 Cb 0.54 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.97 1rhx n LEU 39 CO 0.08 0.00 0.08 -0.62 -0.00 0.00 0.00 177.39 176.93 1rhx n GLU 40 N 0.00 1.00 -2.88 1.47 -0.58 -1.18 -5.06 120.64 113.41 1rhx n GLU 40 Ca 0.00 -1.09 -0.19 0.00 -0.42 0.00 0.00 57.16 55.46 1rhx n GLU 40 Cb 0.00 -0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 30.86 1rhx n GLU 40 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 1rhx n GLU 41 N -1.23 1.92 0.00 3.49 0.28 -1.26 -5.01 120.64 118.82 1rhx n GLU 41 Ca 0.03 -3.86 0.00 0.00 -0.16 0.00 0.00 57.16 53.18 1rhx n GLU 41 Cb 0.21 -1.79 0.00 0.00 1.43 0.00 0.00 31.44 31.29 1rhx n GLU 41 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 1rhx n LEU 42 N -0.05 0.00 -3.53 -1.84 -0.00 -1.26 -5.12 117.00 105.20 1rhx n LEU 42 Ca 0.24 0.00 -0.11 0.00 -0.00 0.00 0.00 56.01 56.15 1rhx n LEU 42 Cb 0.64 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 44.04 1rhx n LEU 42 CO 0.27 0.00 0.40 -1.83 -0.00 0.00 0.00 177.39 176.23 1rhx s GLU 43 N 4.65 1.38 -0.03 1.96 -1.05 -1.26 -5.06 118.70 119.29 1rhx s GLU 43 Ca 0.00 -0.61 0.06 0.00 -0.15 0.00 0.00 54.97 54.28 1rhx s GLU 43 Cb 0.00 0.58 -0.01 0.00 -0.44 0.00 0.00 34.13 34.26 1rhx s GLU 43 CO 0.00 -0.61 -0.22 -0.08 0.95 0.00 0.00 175.26 175.30 1rhx s THR 44 N -3.79 1.77 -0.82 1.83 -1.32 -1.22 -4.36 115.64 107.72 1rhx s THR 44 Ca 0.04 -0.94 0.24 0.00 -1.21 0.00 0.00 61.69 59.81 1rhx s THR 44 Cb -0.02 -1.48 -0.06 0.00 -1.51 0.00 0.00 72.50 69.44 1rhx s THR 44 CO -0.08 0.50 1.21 -0.81 -2.21 0.00 0.00 174.62 173.22 1rhx n PRO 45 N 2.70 0.14 -1.78 7.08 -0.04 -1.26 -4.98 135.00 136.85 1rhx n PRO 45 Ca -0.16 0.01 -0.30 0.00 -0.04 0.00 0.00 63.50 63.01 1rhx n PRO 45 Cb 0.52 -1.56 0.06 0.00 -0.04 0.00 0.00 33.50 32.48 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 -3.09 2.73 0.27 0.55 0.00 -1.20 -4.47 121.76 116.55 1rhx s ALA 46 Ca 0.08 -0.27 -0.29 0.00 0.00 0.00 0.00 51.96 51.48 1rhx s ALA 46 Cb 0.16 -3.06 -0.09 0.00 0.00 0.00 0.00 23.12 20.13 1rhx s ALA 46 CO 0.76 -1.27 0.97 -1.59 0.00 0.00 0.00 175.76 174.63 1rhx s LYS 47 N -5.28 4.73 -0.06 0.00 -2.85 -1.01 -4.97 119.74 110.30 1rhx s LYS 47 Ca 0.59 1.50 -0.03 0.00 -1.00 0.00 0.00 55.97 57.03 1rhx s LYS 47 Cb -0.12 -3.12 0.04 0.00 -2.06 0.00 0.00 37.83 32.57 1rhx s LYS 47 CO 0.53 0.39 0.13 0.08 0.10 0.00 0.00 175.35 176.58 1rhx s VAL 48 N -1.30 -0.05 -0.00 1.79 1.01 -1.25 -2.21 120.40 118.38 1rhx s VAL 48 Ca 0.44 0.18 -0.08 0.00 0.00 0.00 0.00 61.98 62.53 1rhx s VAL 48 Cb -0.25 -0.22 0.00 0.00 0.00 0.00 0.00 36.38 35.91 1rhx s VAL 48 CO 0.31 0.07 0.15 -0.31 0.00 0.00 0.00 175.10 175.33 1rhx s TYR 49 N 1.15 0.01 0.23 5.22 2.02 -1.24 -4.31 117.35 120.44 1rhx s TYR 49 Ca -0.09 -0.07 0.12 0.00 -0.37 0.00 0.00 57.07 56.66 1rhx s TYR 49 Cb -0.12 -0.03 -0.05 0.00 -0.40 0.00 0.00 41.96 41.37 1rhx s TYR 49 CO -0.06 -0.28 -0.22 0.00 -1.57 0.00 0.00 175.55 173.42 1rhx s ALA 50 N -1.28 2.62 -0.36 3.71 0.00 -0.54 -0.77 121.76 125.14 1rhx s ALA 50 Ca -0.14 -1.75 -0.27 0.00 0.00 0.00 0.00 51.96 49.80 1rhx s ALA 50 Cb -0.07 -0.29 0.02 0.00 0.00 0.00 0.00 23.12 22.77 1rhx s ALA 50 CO 0.02 0.35 1.01 0.42 0.00 0.00 0.00 175.76 177.56 1rhx s ILE 51 N -2.07 4.51 0.10 0.00 -1.09 -0.19 -1.31 121.20 121.14 1rhx s ILE 51 Ca 0.25 1.41 -0.24 0.00 -2.23 0.00 0.00 60.65 59.84 1rhx s ILE 51 Cb -0.06 -4.40 -0.11 0.00 -1.58 0.00 0.00 42.46 36.30 1rhx s ILE 51 CO 0.12 -0.57 1.70 0.50 -1.23 0.00 0.00 174.94 175.47 1rhx h LYS 52 N 8.41 -0.16 -0.79 2.79 3.64 -1.21 -0.53 116.57 128.72 1rhx h LYS 52 Ca -0.22 0.01 0.14 0.00 -1.27 0.00 0.00 60.65 59.31 1rhx h LYS 52 Cb 1.07 0.04 -0.09 0.00 -0.41 0.00 0.00 32.23 32.83 1rhx h LYS 52 CO 1.02 -0.11 0.38 0.22 -2.27 0.00 0.00 179.45 178.69 1rhx h ASP 53 N -0.16 0.43 1.25 4.20 3.58 -1.92 0.10 116.42 123.91 1rhx h ASP 53 Ca 0.02 0.09 -0.13 0.00 0.42 0.00 0.00 57.03 57.43 1rhx h ASP 53 Cb 0.18 0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.24 1rhx h ASP 53 CO -0.05 0.19 -0.77 -2.24 -2.88 0.00 0.00 179.24 173.48 1rhx h ASP 54 N 0.56 0.00 -0.79 2.28 3.04 -1.92 -1.75 116.42 117.84 1rhx h ASP 54 Ca 0.43 0.00 -0.04 0.00 -3.24 0.00 0.00 57.03 54.18 1rhx h ASP 54 Cb 0.60 0.00 -0.04 0.00 -1.04 0.00 0.00 39.33 38.85 1rhx h ASP 54 CO -0.36 0.56 0.34 0.15 -2.04 0.00 0.00 179.24 177.89 1rhx h PHE 55 N 0.00 1.18 0.00 4.15 3.57 -0.22 -0.74 116.94 124.89 1rhx h PHE 55 Ca -0.04 -0.08 -0.06 0.00 3.53 0.00 0.00 57.97 61.32 1rhx h PHE 55 Cb 1.46 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 39.84 1rhx h PHE 55 CO 0.00 0.88 -0.27 -0.07 -2.23 0.00 0.00 178.31 176.62 1rhx h LEU 56 N 1.14 0.00 0.00 0.59 3.38 -0.83 -0.77 115.31 118.81 1rhx h LEU 56 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1rhx h LEU 56 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1rhx h LEU 56 CO -0.03 0.27 0.00 0.00 0.09 0.00 0.00 178.44 178.77 1rhx n ALA 57 N -2.29 2.37 -1.62 1.53 0.00 -0.64 -3.79 120.51 116.06 1rhx n ALA 57 Ca -0.01 -0.11 -0.18 0.00 0.00 0.00 0.00 53.44 53.15 1rhx n ALA 57 Cb 0.41 -1.47 0.11 0.00 0.00 0.00 0.00 19.45 18.50 1rhx n ALA 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1rhx n ARG 58 N -1.44 2.61 -4.20 0.00 5.12 -0.31 -4.98 116.66 113.46 1rhx n ARG 58 Ca 0.09 -3.54 -0.35 0.00 -1.93 0.00 0.00 57.85 52.12 1rhx n ARG 58 Cb 0.31 -2.07 -0.03 0.00 -1.16 0.00 0.00 32.46 29.51 1rhx n ARG 58 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1rhx n GLY 59 N -0.95 -0.40 3.61 -0.13 0.00 -1.22 -5.01 105.19 101.09 1rhx n GLY 59 Ca 0.43 0.14 -0.23 0.00 0.00 0.00 0.00 46.02 46.36 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 -3.41 2.62 0.32 1.61 1.51 -1.13 -5.07 117.35 113.79 1rhx s TYR 60 Ca 0.62 -0.24 0.07 0.00 -1.01 0.00 0.00 57.07 56.51 1rhx s TYR 60 Cb -0.34 -1.16 -0.02 0.00 -0.11 0.00 0.00 41.96 40.33 1rhx s TYR 60 CO 0.93 0.63 0.40 0.45 -1.11 0.00 0.00 175.55 176.85 1rhx s SER 61 N -3.57 5.80 0.33 2.29 0.15 -1.26 -4.50 113.70 112.94 1rhx s SER 61 Ca 0.31 -0.25 0.02 0.00 0.70 0.00 0.00 55.95 56.73 1rhx s SER 61 Cb -0.06 -1.24 0.56 0.00 -1.71 0.00 0.00 66.02 63.57 1rhx s SER 61 CO 0.19 -0.35 1.92 -0.33 1.20 0.00 0.00 173.24 175.86 1rhx h GLU 62 N 1.05 0.74 0.00 5.44 5.08 -1.98 -0.57 114.58 124.34 1rhx h GLU 62 Ca -0.46 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 57.79 1rhx h GLU 62 Cb 1.25 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1rhx h GLU 62 CO 0.55 0.61 0.00 0.39 -1.00 0.00 0.00 179.01 179.56 1rhx n GLU 63 N -4.35 0.22 0.05 2.33 1.02 -1.26 -2.18 120.64 116.47 1rhx n GLU 63 Ca 0.04 0.07 0.12 0.00 -0.02 0.00 0.00 57.16 57.37 1rhx n GLU 63 Cb 0.15 -1.50 0.28 0.00 -0.02 0.00 0.00 31.44 30.36 1rhx n GLU 63 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1rhx n ASP 64 N -1.37 0.58 -4.74 1.62 8.00 -0.22 -4.79 116.55 115.63 1rhx n ASP 64 Ca 0.09 0.15 -0.39 0.00 0.71 0.00 0.00 54.79 55.36 1rhx n ASP 64 Cb 0.23 -0.05 -0.05 0.00 -0.02 0.00 0.00 41.12 41.22 1rhx n ASP 64 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1rhx s SER 65 N -3.82 6.97 -0.39 -2.24 0.15 -0.92 -4.82 113.70 108.62 1rhx s SER 65 Ca 0.09 1.16 0.00 0.00 0.70 0.00 0.00 55.95 57.91 1rhx s SER 65 Cb 0.15 -2.38 0.38 0.00 -1.71 0.00 0.00 66.02 62.45 1rhx s SER 65 CO 0.67 0.00 1.85 2.29 1.20 0.00 0.00 173.24 179.25 1rhx n LYS 66 N 3.22 2.02 -3.76 5.44 2.85 -0.76 -4.91 118.16 122.26 1rhx n LYS 66 Ca -0.04 -2.17 -0.10 0.00 -1.05 0.00 0.00 58.31 54.95 1rhx n LYS 66 Cb 0.51 -1.85 -0.05 0.00 -0.65 0.00 0.00 35.03 32.99 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 -2.84 0.05 0.05 0.58 -7.23 -1.26 -5.01 120.40 104.74 1rhx s VAL 67 Ca 0.42 -0.86 -0.31 0.00 -1.81 0.00 0.00 61.98 59.43 1rhx s VAL 67 Cb 0.34 -1.51 -0.06 0.00 0.56 0.00 0.00 36.38 35.71 1rhx s VAL 67 CO 0.03 -0.22 1.26 -2.16 -0.31 0.00 0.00 175.10 173.70 1rhx s PRO 68 N -3.87 4.38 -0.58 4.82 0.04 -1.26 -4.89 135.00 133.64 1rhx s PRO 68 Ca 0.09 1.85 -0.16 0.00 0.04 0.00 0.00 61.00 62.82 1rhx s PRO 68 Cb 0.01 -3.37 0.14 0.00 0.04 0.00 0.00 34.50 31.31 1rhx s PRO 68 CO -0.05 -0.35 0.55 -0.51 0.04 0.00 0.00 177.00 176.68 1rhx s LEU 69 N 1.35 6.16 0.45 -3.56 1.43 -1.26 -1.47 118.68 121.78 1rhx s LEU 69 Ca 0.60 -1.85 0.05 0.00 -1.03 0.00 0.00 54.13 51.90 1rhx s LEU 69 Cb -0.31 -2.22 0.01 0.00 0.03 0.00 0.00 46.19 43.70 1rhx s LEU 69 CO 0.28 -0.86 0.64 0.27 0.23 0.00 0.00 176.35 176.91 1rhx s ILE 70 N 1.57 3.17 0.46 -0.59 -4.36 -0.43 -4.70 121.20 116.32 1rhx s ILE 70 Ca 0.06 -0.83 -0.04 0.00 -0.26 0.00 0.00 60.65 59.58 1rhx s ILE 70 Cb -0.27 -3.12 -0.03 0.00 1.25 0.00 0.00 42.46 40.29 1rhx s ILE 70 CO 0.02 -0.06 0.73 0.42 0.24 0.00 0.00 174.94 176.29 1rhx s THR 71 N -2.49 4.84 0.32 8.37 -4.23 -1.26 -0.74 115.64 120.46 1rhx s THR 71 Ca 0.53 0.01 0.10 0.00 -1.18 0.00 0.00 61.69 61.15 1rhx s THR 71 Cb -0.10 -3.83 0.32 0.00 1.34 0.00 0.00 72.50 70.23 1rhx s THR 71 CO 0.35 -0.74 1.74 1.88 -0.54 0.00 0.00 174.62 177.30 1rhx h TYR 72 N 0.33 0.99 0.00 3.99 0.05 -1.97 -0.94 116.97 119.42 1rhx h TYR 72 Ca -0.47 0.03 -0.11 0.00 0.05 0.00 0.00 58.73 58.23 1rhx h TYR 72 Cb 1.21 -0.29 -0.02 0.00 1.01 0.00 0.00 36.73 38.65 1rhx h TYR 72 CO 0.55 0.08 -0.51 0.66 -1.05 0.00 0.00 178.16 177.89 1rhx h SER 73 N 0.58 0.00 -0.49 3.88 4.64 -2.00 -2.78 113.55 117.39 1rhx h SER 73 Ca 0.64 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.86 1rhx h SER 73 Cb 1.22 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.29 1rhx h SER 73 CO -0.46 0.51 -0.08 -0.33 -0.87 0.00 0.00 176.83 175.61 1rhx h GLU 74 N 0.00 0.95 -0.64 4.77 5.08 -1.56 -2.45 114.58 120.73 1rhx h GLU 74 Ca -0.01 -0.33 0.03 0.00 -1.00 0.00 0.00 59.36 58.06 1rhx h GLU 74 Cb 1.00 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.14 1rhx h GLU 74 CO 0.07 0.99 0.39 0.35 -1.00 0.00 0.00 179.01 179.81 1rhx h PHE 75 N 0.86 0.74 -0.68 4.33 3.57 -1.25 -2.58 116.94 121.92 1rhx h PHE 75 Ca 0.14 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.68 1rhx h PHE 75 Cb 0.61 -0.24 -0.04 0.00 2.79 0.00 0.00 35.95 39.08 1rhx h PHE 75 CO 0.04 0.42 0.44 0.82 -2.23 0.00 0.00 178.31 177.81 1rhx h ILE 76 N 0.78 1.15 -0.80 1.41 1.08 -1.23 -1.93 117.51 117.97 1rhx h ILE 76 Ca 0.25 -0.31 0.15 0.00 -0.39 0.00 0.00 64.86 64.57 1rhx h ILE 76 Cb 0.01 0.18 -0.06 0.00 -3.07 0.00 0.00 36.82 33.89 1rhx h ILE 76 CO -0.10 0.16 0.53 -0.78 -0.69 0.00 0.00 178.15 177.27 1rhx h ASP 77 N 0.90 0.46 0.84 1.72 3.58 -1.05 0.67 116.42 123.53 1rhx h ASP 77 Ca 0.25 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.73 1rhx h ASP 77 Cb -0.08 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 40.91 1rhx h ASP 77 CO -0.07 0.23 0.00 -0.07 -2.88 0.00 0.00 179.24 176.46 1rhx h LEU 78 N 0.49 0.00 0.00 2.28 3.38 -1.19 -3.38 115.31 116.88 1rhx h LEU 78 Ca 0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.37 1rhx h LEU 78 Cb 0.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1rhx h LEU 78 CO -0.14 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.57 1rhx n LEU 79 N -2.63 0.00 -3.84 1.67 4.77 0.22 -4.86 117.00 112.32 1rhx n LEU 79 Ca 0.01 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.73 1rhx n LEU 79 Cb 0.26 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.36 1rhx n LEU 79 CO 0.23 0.00 -0.11 -0.62 -1.33 0.00 0.00 177.39 175.56 1rhx n GLU 80 N 0.00 -0.60 0.00 3.23 -0.58 -1.15 -2.55 120.64 118.98 1rhx n GLU 80 Ca 0.00 -0.09 0.00 0.00 -0.42 0.00 0.00 57.16 56.65 1rhx n GLU 80 Cb 0.00 -1.08 0.00 0.00 -0.57 0.00 0.00 31.44 29.79 1rhx n GLU 80 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1rhx n GLY 81 N -1.56 1.82 3.30 0.62 0.00 -1.26 -5.12 105.19 102.98 1rhx n GLY 81 Ca -0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.47 0.55 -0.28 1.61 0.41 -1.06 -5.10 118.70 114.36 1rhx s GLU 82 Ca 0.00 0.38 0.11 0.00 -0.41 0.00 0.00 54.97 55.04 1rhx s GLU 82 Cb 0.00 0.26 0.34 0.00 -1.78 0.00 0.00 34.13 32.95 1rhx s GLU 82 CO 0.00 -0.10 1.46 -1.91 -0.49 0.00 0.00 175.26 174.22 1rhx n GLU 83 N 2.40 1.14 -2.30 1.61 2.13 -1.26 -4.72 120.64 119.64 1rhx n GLU 83 Ca -0.15 -1.17 -0.03 0.00 0.66 0.00 0.00 57.16 56.47 1rhx n GLU 83 Cb 0.57 0.44 0.05 0.00 0.27 0.00 0.00 31.44 32.77 1rhx n GLU 83 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1rhx n LYS 84 N -1.30 1.66 -1.95 5.31 5.02 -1.26 -4.80 118.16 120.84 1rhx n LYS 84 Ca -0.19 -3.29 -0.01 0.00 -2.02 0.00 0.00 58.31 52.80 1rhx n LYS 84 Cb 0.85 -1.38 0.06 0.00 -0.02 0.00 0.00 35.03 34.53 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 -0.42 -0.95 -3.15 2.13 -1.74 -1.23 -4.62 117.46 107.48 1rhx n PHE 85 Ca 0.13 -0.82 0.00 0.00 -0.56 0.00 0.00 57.45 56.21 1rhx n PHE 85 Cb 0.89 1.00 0.00 0.00 1.52 0.00 0.00 39.48 42.89 1rhx n PHE 85 CO 0.00 0.00 0.00 -0.89 -0.56 0.00 0.00 176.76 175.31 1rhx n ILE 86 N -0.71 0.00 0.00 1.97 2.08 -0.78 -4.32 119.36 117.60 1rhx n ILE 86 Ca -0.10 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.21 1rhx n ILE 86 Cb 0.67 -0.31 0.00 0.00 -0.75 0.00 0.00 39.64 39.26 1rhx n ILE 86 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72