#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 3.08 -0.26 3.04 0.00 -1.26 -5.05 121.76 121.31 1rhx s ALA 2 Ca 0.00 0.48 -0.05 0.00 0.00 0.00 0.00 51.96 52.39 1rhx s ALA 2 Cb 0.00 -3.18 0.01 0.00 0.00 0.00 0.00 23.12 19.95 1rhx s ALA 2 CO 0.00 0.08 0.01 -0.51 0.00 0.00 0.00 175.76 175.34 1rhx s LEU 3 N -2.82 3.43 -0.36 0.00 2.01 -1.26 -4.98 118.68 114.70 1rhx s LEU 3 Ca 0.59 -0.67 0.14 0.00 0.01 0.00 0.00 54.13 54.19 1rhx s LEU 3 Cb -0.14 -1.79 0.42 0.00 0.01 0.00 0.00 46.19 44.70 1rhx s LEU 3 CO 0.18 -0.13 0.91 0.52 1.01 0.00 0.00 176.35 178.84 1rhx n VAL 4 N 4.79 0.94 -3.43 -1.59 0.31 -1.25 -2.12 118.33 115.99 1rhx n VAL 4 Ca -0.16 -3.79 0.01 0.00 -0.01 0.00 0.00 64.34 60.39 1rhx n VAL 4 Cb 0.48 0.11 -0.04 0.00 -0.91 0.00 0.00 33.84 33.48 1rhx n VAL 4 CO 0.00 0.00 0.00 -1.48 -1.32 0.00 0.00 176.83 174.03 1rhx s LEU 5 N -3.00 -0.53 -0.38 7.52 2.34 -0.42 -4.42 118.68 119.80 1rhx s LEU 5 Ca 0.34 0.74 0.11 0.00 0.06 0.00 0.00 54.13 55.37 1rhx s LEU 5 Cb 0.42 1.62 0.44 0.00 -0.56 0.00 0.00 46.19 48.11 1rhx s LEU 5 CO -0.03 -0.11 1.05 0.55 -1.06 0.00 0.00 176.35 176.76 1rhx n VAL 6 N 4.72 1.82 -1.88 1.48 3.14 -1.26 -4.69 118.33 121.66 1rhx n VAL 6 Ca -0.10 -4.12 -0.14 0.00 -2.96 0.00 0.00 64.34 57.01 1rhx n VAL 6 Cb 0.54 -0.45 0.08 0.00 -1.06 0.00 0.00 33.84 32.95 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 -0.34 2.94 -2.37 1.45 2.85 -1.26 -2.82 118.16 118.60 1rhx n LYS 7 Ca 0.27 -3.88 0.00 0.00 -1.05 0.00 0.00 58.31 53.65 1rhx n LYS 7 Cb 0.74 -2.06 0.05 0.00 -0.65 0.00 0.00 35.03 33.11 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 -0.85 0.33 0.00 5.58 4.02 -1.26 -4.24 117.16 120.74 1rhx n TYR 8 Ca 0.36 -1.58 0.00 0.00 -0.01 0.00 0.00 57.90 56.67 1rhx n TYR 8 Cb 0.88 0.14 0.00 0.00 -0.02 0.00 0.00 39.34 40.33 1rhx n TYR 8 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1rhx n GLY 9 N -0.46 0.38 2.80 2.72 0.00 -1.20 -4.48 105.19 104.95 1rhx n GLY 9 Ca 0.00 0.68 -0.42 0.00 0.00 0.00 0.00 46.02 46.29 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 5.48 -2.78 2.61 -2.24 -1.26 -4.16 114.28 111.93 1rhx n THR 10 Ca 0.00 -5.58 0.00 0.00 -2.27 0.00 0.00 64.05 56.20 1rhx n THR 10 Cb 0.00 -1.93 0.05 0.00 -2.10 0.00 0.00 70.33 66.35 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 1.21 1.14 -3.68 3.42 2.03 -1.26 -5.10 116.55 114.31 1rhx n ASP 11 Ca 0.39 -2.04 -0.05 0.00 0.52 0.00 0.00 54.79 53.61 1rhx n ASP 11 Cb 0.30 -0.32 -0.01 0.00 -0.72 0.00 0.00 41.12 40.37 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 -2.98 -0.11 0.77 -0.67 -3.43 -1.26 -4.86 115.29 102.76 1rhx s HIS 12 Ca 0.25 -0.30 -0.11 0.00 -0.80 0.00 0.00 55.06 54.10 1rhx s HIS 12 Cb 0.34 0.69 0.05 0.00 -1.43 0.00 0.00 32.58 32.23 1rhx s HIS 12 CO -0.06 -1.06 1.09 -1.25 -2.00 0.00 0.00 174.74 171.46 1rhx s PRO 13 N -3.32 2.30 0.00 -0.38 0.04 -1.26 -4.23 135.00 128.14 1rhx s PRO 13 Ca 0.13 0.72 0.00 0.00 0.04 0.00 0.00 61.00 61.89 1rhx s PRO 13 Cb -0.04 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.57 1rhx s PRO 13 CO 0.05 -1.49 0.00 0.28 0.04 0.00 0.00 177.00 175.88 1rhx n VAL 14 N -3.36 0.00 -2.77 -0.36 0.31 -1.26 -4.75 118.33 106.15 1rhx n VAL 14 Ca 0.07 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.38 1rhx n VAL 14 Cb 0.56 0.00 0.06 0.00 -0.91 0.00 0.00 33.84 33.55 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 1.52 0.00 5.55 1.02 -1.26 -3.83 120.64 123.63 1rhx n GLU 15 Ca 0.00 -2.97 0.00 0.00 -0.02 0.00 0.00 57.16 54.17 1rhx n GLU 15 Cb 0.00 -1.10 0.00 0.00 -0.02 0.00 0.00 31.44 30.32 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 -0.65 0.00 0.28 3.49 3.00 -1.26 -4.69 118.16 118.33 1rhx n LYS 16 Ca 0.03 0.00 0.16 0.00 -0.00 0.00 0.00 58.31 58.50 1rhx n LYS 16 Cb 0.82 0.00 0.93 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 -1.15 3.14 3.38 -1.90 0.28 115.31 119.06 1rhx h LEU 17 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1rhx h LEU 17 Cb 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1rhx h LEU 17 CO 0.00 0.00 0.42 0.07 0.09 0.00 0.00 178.44 179.02 1rhx h LYS 18 N 0.00 1.01 0.00 1.13 -0.00 -1.84 -2.56 116.57 114.31 1rhx h LYS 18 Ca 0.02 -0.10 -0.05 0.00 -0.00 0.00 0.00 60.65 60.52 1rhx h LYS 18 Cb 0.13 -0.21 -0.01 0.00 -0.00 0.00 0.00 32.23 32.15 1rhx h LYS 18 CO -0.00 0.73 -0.24 0.97 -0.00 0.00 0.00 179.45 180.91 1rhx h ILE 19 N 1.02 0.83 0.00 0.07 2.10 -0.79 0.19 117.51 120.92 1rhx h ILE 19 Ca 0.26 -0.95 0.00 0.00 1.08 0.00 0.00 64.86 65.25 1rhx h ILE 19 Cb -0.00 1.57 0.00 0.00 -1.09 0.00 0.00 36.82 37.30 1rhx h ILE 19 CO -0.05 0.24 0.00 0.54 -1.08 0.00 0.00 178.15 177.80 1rhx n ARG 20 N -3.75 0.12 0.00 2.19 3.00 -0.97 -4.72 116.66 112.53 1rhx n ARG 20 Ca -0.01 0.17 0.00 0.00 -0.01 0.00 0.00 57.85 58.00 1rhx n ARG 20 Cb 0.35 -1.67 0.00 0.00 0.00 0.00 0.00 32.46 31.14 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 -1.89 0.00 -3.59 0.55 7.64 -0.57 -5.14 113.62 110.62 1rhx n SER 21 Ca 0.05 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.83 1rhx n SER 21 Cb 0.34 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.50 1rhx n SER 21 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rhx s ALA 22 N 0.00 -1.17 0.24 -0.43 0.00 0.56 -4.62 121.76 116.34 1rhx s ALA 22 Ca 0.00 0.08 0.03 0.00 0.00 0.00 0.00 51.96 52.07 1rhx s ALA 22 Cb 0.00 0.81 -0.01 0.00 0.00 0.00 0.00 23.12 23.92 1rhx s ALA 22 CO 0.00 -0.74 0.11 1.17 0.00 0.00 0.00 175.76 176.30 1rhx n LYS 23 N -0.32 0.61 0.12 0.00 3.00 -1.26 -4.92 118.16 115.40 1rhx n LYS 23 Ca -0.14 -2.09 0.12 0.00 -0.00 0.00 0.00 58.31 56.19 1rhx n LYS 23 Cb 0.64 1.26 0.48 0.00 0.00 0.00 0.00 35.03 37.41 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 -1.77 1.67 -1.40 3.14 0.00 -1.26 -3.24 120.51 117.65 1rhx n ALA 24 Ca -0.09 0.07 -0.29 0.00 0.00 0.00 0.00 53.44 53.13 1rhx n ALA 24 Cb 0.37 -1.38 0.10 0.00 0.00 0.00 0.00 19.45 18.55 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 -2.18 2.63 -4.10 0.00 -0.00 -1.26 -4.11 120.64 111.61 1rhx n GLU 25 Ca 0.02 -3.32 -0.24 0.00 -0.00 0.00 0.00 57.16 53.61 1rhx n GLU 25 Cb 0.23 -2.23 -0.05 0.00 -0.00 0.00 0.00 31.44 29.39 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 -1.98 5.48 -0.07 -1.84 2.15 -1.20 -5.02 116.67 114.19 1rhx s ASP 26 Ca 0.60 -0.19 0.01 0.00 0.43 0.00 0.00 52.55 53.40 1rhx s ASP 26 Cb 0.48 -1.40 -0.03 0.00 -0.30 0.00 0.00 42.92 41.67 1rhx s ASP 26 CO 0.02 0.03 -0.09 -0.54 -0.17 0.00 0.00 175.17 174.42 1rhx s LYS 27 N -3.39 2.76 0.07 4.34 3.01 -1.26 -2.15 119.74 123.12 1rhx s LYS 27 Ca 0.32 -0.59 -0.15 0.00 -1.01 0.00 0.00 55.97 54.54 1rhx s LYS 27 Cb -0.09 -2.56 0.03 0.00 -1.01 0.00 0.00 37.83 34.20 1rhx s LYS 27 CO 0.24 0.61 0.35 0.42 0.51 0.00 0.00 175.35 177.48 1rhx s ILE 28 N -0.68 0.08 0.08 2.17 1.01 -0.31 -4.83 121.20 118.73 1rhx s ILE 28 Ca 0.10 -0.65 -0.09 0.00 0.00 0.00 0.00 60.65 60.01 1rhx s ILE 28 Cb -0.11 -1.06 0.00 0.00 0.01 0.00 0.00 42.46 41.30 1rhx s ILE 28 CO 0.01 -0.36 0.21 -0.69 0.00 0.00 0.00 174.94 174.11 1rhx s VAL 29 N -3.06 0.13 -0.01 2.92 1.01 -1.26 -2.71 120.40 117.44 1rhx s VAL 29 Ca -0.02 -1.09 0.08 0.00 0.00 0.00 0.00 61.98 60.95 1rhx s VAL 29 Cb 0.01 -1.27 -0.02 0.00 0.00 0.00 0.00 36.38 35.09 1rhx s VAL 29 CO -0.07 -0.60 -0.24 -0.76 0.00 0.00 0.00 175.10 173.43 1rhx s LEU 30 N -2.75 2.18 0.42 3.92 1.43 0.28 -4.90 118.68 119.26 1rhx s LEU 30 Ca 0.03 -0.46 0.04 0.00 -1.03 0.00 0.00 54.13 52.71 1rhx s LEU 30 Cb 0.04 -1.36 -0.02 0.00 0.03 0.00 0.00 46.19 44.88 1rhx s LEU 30 CO -0.10 0.31 0.12 0.27 0.23 0.00 0.00 176.35 177.18 1rhx s ILE 31 N -0.68 0.63 0.00 -0.59 -4.36 -1.14 -0.57 121.20 114.48 1rhx s ILE 31 Ca 0.11 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.50 1rhx s ILE 31 Cb -0.10 -2.33 0.00 0.00 1.25 0.00 0.00 42.46 41.28 1rhx s ILE 31 CO 0.00 0.00 0.00 0.00 0.24 0.00 0.00 174.94 175.18 1rhx n GLN 32 N -0.94 0.00 0.08 0.37 1.13 -1.26 0.24 117.38 117.00 1rhx n GLN 32 Ca -0.07 0.00 0.03 0.00 -1.94 0.00 0.00 57.00 55.02 1rhx n GLN 32 Cb 0.65 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.97 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 -1.11 1.08 2.35 -1.78 -3.30 115.58 112.82 1rhx h ASN 33 Ca 0.00 0.00 0.32 0.00 -0.55 0.00 0.00 56.30 56.07 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 0.42 0.94 1.23 -1.65 0.00 0.00 177.43 178.37 1rhx h GLY 34 N 3.74 0.00 -0.01 2.83 0.00 -0.04 -0.84 103.07 108.75 1rhx h GLY 34 Ca -0.09 0.00 0.20 0.00 0.00 0.00 0.00 47.33 47.44 1rhx h GLY 34 CO 0.04 0.00 0.81 -0.39 0.00 0.00 0.00 176.54 177.00 1rhx h VAL 35 N 0.00 0.17 -0.25 4.60 -1.51 -1.27 -1.39 116.25 116.60 1rhx h VAL 35 Ca 0.53 0.00 0.07 0.00 -1.23 0.00 0.00 66.70 66.07 1rhx h VAL 35 Cb 2.40 0.33 -0.01 0.00 -2.13 0.00 0.00 31.29 31.89 1rhx h VAL 35 CO -0.01 0.00 0.39 -0.26 -1.23 0.00 0.00 177.57 176.46 1rhx h PHE 36 N 0.00 0.00 0.00 5.19 0.04 -1.45 -1.61 116.94 119.11 1rhx h PHE 36 Ca 0.32 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.08 1rhx h PHE 36 Cb 1.95 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 40.09 1rhx h PHE 36 CO 0.00 0.00 -0.06 -1.49 -0.60 0.00 0.00 178.31 176.16 1rhx h TRP 37 N 0.00 0.00 -0.02 -0.55 4.06 -1.51 -3.25 115.95 114.67 1rhx h TRP 37 Ca 0.12 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 61.05 1rhx h TRP 37 Cb 0.89 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.05 1rhx h TRP 37 CO 0.00 0.06 0.02 0.00 -3.56 0.00 0.00 178.44 174.96 1rhx n ALA 38 N -2.15 3.93 -2.41 1.49 0.00 -0.61 -2.91 120.51 117.85 1rhx n ALA 38 Ca -0.01 -0.08 -0.00 0.00 0.00 0.00 0.00 53.44 53.36 1rhx n ALA 38 Cb 0.27 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.70 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 1.36 -0.02 0.00 0.00 -0.00 -1.23 -1.10 117.00 116.02 1rhx n LEU 39 Ca 0.01 -0.93 0.00 0.00 -0.00 0.00 0.00 56.01 55.09 1rhx n LEU 39 Cb 0.51 0.90 0.00 0.00 -0.00 0.00 0.00 43.42 44.83 1rhx n LEU 39 CO 0.02 0.96 0.00 -0.62 -0.00 0.00 0.00 177.39 177.75 1rhx n GLU 40 N -0.02 1.17 -2.81 1.47 -0.58 -1.15 -5.09 120.64 113.64 1rhx n GLU 40 Ca -0.00 0.00 -0.17 0.00 -0.42 0.00 0.00 57.16 56.57 1rhx n GLU 40 Cb 0.48 0.00 -0.00 0.00 -0.57 0.00 0.00 31.44 31.35 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 -0.87 1.74 0.00 3.49 0.28 -1.26 -5.06 120.64 118.96 1rhx n GLU 41 Ca 0.00 -3.69 0.00 0.00 -0.16 0.00 0.00 57.16 53.31 1rhx n GLU 41 Cb 0.00 -1.66 0.00 0.00 1.43 0.00 0.00 31.44 31.21 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 -0.06 0.00 -3.66 -1.84 7.94 -1.26 -5.13 117.00 112.99 1rhx n LEU 42 Ca 0.21 0.00 -0.11 0.00 -1.11 0.00 0.00 56.01 55.00 1rhx n LEU 42 Cb 0.70 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.60 1rhx n LEU 42 CO 0.27 0.00 0.14 -1.83 -1.11 0.00 0.00 177.39 174.86 1rhx s GLU 43 N 3.74 1.01 0.06 1.96 -1.05 -1.26 -5.08 118.70 118.08 1rhx s GLU 43 Ca 0.00 -0.64 0.03 0.00 -0.15 0.00 0.00 54.97 54.22 1rhx s GLU 43 Cb 0.00 0.44 -0.03 0.00 -0.44 0.00 0.00 34.13 34.11 1rhx s GLU 43 CO 0.00 -0.38 -0.10 -0.08 0.95 0.00 0.00 175.26 175.65 1rhx s THR 44 N -3.46 0.77 -0.97 1.83 -1.32 -1.25 -4.30 115.64 106.95 1rhx s THR 44 Ca 0.01 -1.30 0.16 0.00 -1.21 0.00 0.00 61.69 59.35 1rhx s THR 44 Cb 0.01 -0.93 -0.13 0.00 -1.51 0.00 0.00 72.50 69.94 1rhx s THR 44 CO -0.09 -0.41 0.74 -0.81 -2.21 0.00 0.00 174.62 171.84 1rhx n PRO 45 N 1.15 1.65 -2.43 7.08 -0.04 -1.26 -5.06 135.00 136.09 1rhx n PRO 45 Ca -0.20 -0.22 -0.25 0.00 -0.04 0.00 0.00 63.50 62.79 1rhx n PRO 45 Cb 0.55 -1.27 0.13 0.00 -0.04 0.00 0.00 33.50 32.87 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 -2.39 3.35 0.27 0.55 0.00 -1.25 -4.40 121.76 117.89 1rhx s ALA 46 Ca 0.08 -1.63 -0.29 0.00 0.00 0.00 0.00 51.96 50.13 1rhx s ALA 46 Cb 0.13 -2.18 -0.09 0.00 0.00 0.00 0.00 23.12 20.97 1rhx s ALA 46 CO 0.60 -1.72 0.99 0.15 0.00 0.00 0.00 175.76 175.78 1rhx s LYS 47 N -5.34 4.71 -0.35 0.00 1.02 -0.91 -4.97 119.74 113.90 1rhx s LYS 47 Ca 0.68 1.56 0.14 0.00 0.02 0.00 0.00 55.97 58.37 1rhx s LYS 47 Cb -0.05 -3.14 0.42 0.00 -0.52 0.00 0.00 37.83 34.55 1rhx s LYS 47 CO 0.47 0.35 1.25 1.33 -0.92 0.00 0.00 175.35 177.83 1rhx n VAL 48 N 1.17 0.40 -1.78 3.17 0.24 -1.16 -1.16 118.33 119.21 1rhx n VAL 48 Ca -0.01 -1.99 -0.30 0.00 -2.04 0.00 0.00 64.34 60.01 1rhx n VAL 48 Cb 0.47 0.94 0.06 0.00 -1.47 0.00 0.00 33.84 33.84 1rhx n VAL 48 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 1rhx s TYR 49 N -1.14 3.15 0.02 6.34 1.51 -1.10 -4.48 117.35 121.65 1rhx s TYR 49 Ca 0.22 1.06 0.00 0.00 -1.01 0.00 0.00 57.07 57.34 1rhx s TYR 49 Cb 0.42 -3.12 -0.02 0.00 -0.11 0.00 0.00 41.96 39.13 1rhx s TYR 49 CO -0.06 -1.40 -0.03 0.00 -1.11 0.00 0.00 175.55 172.95 1rhx s ALA 50 N -3.31 0.16 -0.51 3.71 0.00 -0.21 -0.55 121.76 121.05 1rhx s ALA 50 Ca 0.59 -0.61 -0.29 0.00 0.00 0.00 0.00 51.96 51.66 1rhx s ALA 50 Cb -0.12 0.14 0.03 0.00 0.00 0.00 0.00 23.12 23.17 1rhx s ALA 50 CO 0.52 -0.15 1.16 0.42 0.00 0.00 0.00 175.76 177.71 1rhx s ILE 51 N -1.48 4.14 0.16 0.00 -1.09 0.27 -0.61 121.20 122.60 1rhx s ILE 51 Ca -0.15 1.13 -0.22 0.00 -2.23 0.00 0.00 60.65 59.17 1rhx s ILE 51 Cb -0.10 -4.63 0.06 0.00 -1.58 0.00 0.00 42.46 36.21 1rhx s ILE 51 CO -0.01 -1.10 1.61 0.50 -1.23 0.00 0.00 174.94 174.71 1rhx h LYS 52 N 9.36 -0.23 -0.74 2.79 3.64 -1.27 -1.38 116.57 128.74 1rhx h LYS 52 Ca -0.24 0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.22 1rhx h LYS 52 Cb 1.06 0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.88 1rhx h LYS 52 CO 1.14 -0.16 0.43 0.22 -2.27 0.00 0.00 179.45 178.82 1rhx h ASP 53 N -0.24 0.67 -0.30 4.20 3.58 -1.91 0.72 116.42 123.13 1rhx h ASP 53 Ca 0.17 0.02 -0.14 0.00 0.42 0.00 0.00 57.03 57.50 1rhx h ASP 53 Cb 0.51 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.44 1rhx h ASP 53 CO -0.50 0.43 -0.32 0.44 -2.88 0.00 0.00 179.24 176.41 1rhx h ASP 54 N 0.80 0.86 -0.54 2.28 3.32 -1.83 0.08 116.42 121.39 1rhx h ASP 54 Ca 0.32 -0.36 -0.05 0.00 0.02 0.00 0.00 57.03 56.97 1rhx h ASP 54 Cb 0.17 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 1rhx h ASP 54 CO -0.17 1.11 0.15 0.15 -1.72 0.00 0.00 179.24 178.75 1rhx h PHE 55 N 0.69 0.90 -0.65 4.55 3.57 -0.33 0.39 116.94 126.06 1rhx h PHE 55 Ca 0.07 -0.10 -0.06 0.00 3.53 0.00 0.00 57.97 61.41 1rhx h PHE 55 Cb 0.87 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 39.33 1rhx h PHE 55 CO 0.05 0.77 0.16 -0.07 -2.23 0.00 0.00 178.31 177.00 1rhx h LEU 56 N 0.76 0.98 -0.11 0.59 3.38 -0.81 -0.99 115.31 119.10 1rhx h LEU 56 Ca 0.17 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1rhx h LEU 56 Cb 0.31 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1rhx h LEU 56 CO -0.00 0.95 0.00 0.00 0.09 0.00 0.00 178.44 179.48 1rhx n ALA 57 N -2.43 1.75 -1.45 1.53 0.00 0.01 -1.70 120.51 118.22 1rhx n ALA 57 Ca 0.04 -0.03 -0.24 0.00 0.00 0.00 0.00 53.44 53.21 1rhx n ALA 57 Cb 0.25 -1.29 0.12 0.00 0.00 0.00 0.00 19.45 18.53 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 -1.63 2.53 -0.80 0.00 5.12 0.09 -4.96 116.66 117.01 1rhx n ARG 58 Ca 0.04 -3.34 0.00 0.00 -1.93 0.00 0.00 57.85 52.62 1rhx n ARG 58 Cb 0.20 -2.15 0.00 0.00 -1.16 0.00 0.00 32.46 29.35 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 -0.99 0.00 3.91 -0.13 0.00 -0.69 -4.99 105.19 102.31 1rhx n GLY 59 Ca 0.53 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.27 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 -0.95 3.47 0.44 1.61 1.51 -0.89 -5.02 117.35 117.52 1rhx s TYR 60 Ca 0.00 0.76 0.08 0.00 -1.01 0.00 0.00 57.07 56.90 1rhx s TYR 60 Cb 0.00 -2.43 0.02 0.00 -0.11 0.00 0.00 41.96 39.44 1rhx s TYR 60 CO 0.00 -0.44 0.57 0.45 -1.11 0.00 0.00 175.55 175.03 1rhx s SER 61 N -4.16 5.54 0.22 2.29 0.15 -1.26 -4.17 113.70 112.30 1rhx s SER 61 Ca 0.49 -0.50 -0.06 0.00 0.70 0.00 0.00 55.95 56.58 1rhx s SER 61 Cb -0.10 -0.54 0.20 0.00 -1.71 0.00 0.00 66.02 63.86 1rhx s SER 61 CO 0.45 -0.81 1.70 -0.33 1.20 0.00 0.00 173.24 175.45 1rhx h GLU 62 N 0.63 0.96 0.00 5.44 5.08 -1.98 -2.68 114.58 122.03 1rhx h GLU 62 Ca -0.39 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 57.70 1rhx h GLU 62 Cb 1.28 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1rhx h GLU 62 CO 0.46 0.93 0.00 -1.91 -1.00 0.00 0.00 179.01 177.49 1rhx n GLU 63 N -4.20 0.56 0.11 2.33 2.13 -1.26 -3.59 120.64 116.72 1rhx n GLU 63 Ca 0.03 0.02 0.12 0.00 0.66 0.00 0.00 57.16 57.99 1rhx n GLU 63 Cb 0.32 -1.50 0.23 0.00 0.27 0.00 0.00 31.44 30.75 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 0.00 0.00 -3.31 4.31 3.32 -1.88 -3.44 116.42 115.42 1rhx h ASP 64 Ca 0.00 -0.08 -0.58 0.00 0.02 0.00 0.00 57.03 56.40 1rhx h ASP 64 Cb 0.18 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.65 1rhx h ASP 64 CO 0.00 0.04 -0.12 -0.44 -1.72 0.00 0.00 179.24 177.00 1rhx s SER 65 N -4.83 6.73 -0.15 6.45 0.01 -1.24 -4.89 113.70 115.78 1rhx s SER 65 Ca 0.07 0.87 -0.00 0.00 1.31 0.00 0.00 55.95 58.20 1rhx s SER 65 Cb 0.11 -2.30 0.13 0.00 0.21 0.00 0.00 66.02 64.17 1rhx s SER 65 CO 0.68 0.02 1.78 2.29 0.41 0.00 0.00 173.24 178.42 1rhx n LYS 66 N 3.51 1.39 -3.74 12.44 2.85 -0.26 -4.84 118.16 129.51 1rhx n LYS 66 Ca -0.07 -0.81 -0.10 0.00 -1.05 0.00 0.00 58.31 56.28 1rhx n LYS 66 Cb 0.52 -1.32 -0.05 0.00 -0.65 0.00 0.00 35.03 33.53 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 -1.10 0.06 -0.21 0.58 -7.23 -1.26 -4.94 120.40 106.29 1rhx s VAL 67 Ca 0.16 -0.82 -0.29 0.00 -1.81 0.00 0.00 61.98 59.22 1rhx s VAL 67 Cb 0.13 -1.45 -0.03 0.00 0.56 0.00 0.00 36.38 35.59 1rhx s VAL 67 CO 0.01 -0.25 1.62 -2.16 -0.31 0.00 0.00 175.10 174.00 1rhx s PRO 68 N -3.86 3.82 -0.30 4.82 0.04 -1.26 -4.84 135.00 133.42 1rhx s PRO 68 Ca 0.08 1.70 -0.29 0.00 0.04 0.00 0.00 61.00 62.53 1rhx s PRO 68 Cb 0.01 -4.03 0.01 0.00 0.04 0.00 0.00 34.50 30.54 1rhx s PRO 68 CO -0.06 -1.26 1.08 -0.51 0.04 0.00 0.00 177.00 176.28 1rhx s LEU 69 N 5.11 3.97 0.41 -3.56 1.43 -1.26 -1.04 118.68 123.74 1rhx s LEU 69 Ca 0.71 1.13 0.06 0.00 -1.03 0.00 0.00 54.13 55.01 1rhx s LEU 69 Cb -0.25 -3.54 -0.07 0.00 0.03 0.00 0.00 46.19 42.35 1rhx s LEU 69 CO 0.29 -0.84 0.02 0.27 0.23 0.00 0.00 176.35 176.32 1rhx s ILE 70 N 3.57 1.75 0.74 -0.59 -4.36 0.22 -4.79 121.20 117.74 1rhx s ILE 70 Ca 0.46 -2.00 -0.08 0.00 -0.26 0.00 0.00 60.65 58.77 1rhx s ILE 70 Cb -0.13 -2.87 0.08 0.00 1.25 0.00 0.00 42.46 40.79 1rhx s ILE 70 CO 0.13 0.00 1.06 0.42 0.24 0.00 0.00 174.94 176.79 1rhx s THR 71 N -2.84 2.21 0.41 8.37 -4.23 -1.26 -0.79 115.64 117.51 1rhx s THR 71 Ca 0.32 -0.23 0.12 0.00 -1.18 0.00 0.00 61.69 60.72 1rhx s THR 71 Cb 0.09 -2.98 0.32 0.00 1.34 0.00 0.00 72.50 71.27 1rhx s THR 71 CO 0.16 0.00 1.96 1.88 -0.54 0.00 0.00 174.62 178.08 1rhx h TYR 72 N -0.74 0.54 0.04 3.99 -1.99 -1.97 -2.56 116.97 114.29 1rhx h TYR 72 Ca -0.44 0.01 -0.27 0.00 2.00 0.00 0.00 58.73 60.03 1rhx h TYR 72 Cb 1.31 -0.18 -0.03 0.00 2.00 0.00 0.00 36.73 39.84 1rhx h TYR 72 CO 0.21 0.26 -1.42 0.66 -0.00 0.00 0.00 178.16 177.86 1rhx h SER 73 N 0.51 0.14 0.12 3.88 4.64 -2.01 -3.16 113.55 117.68 1rhx h SER 73 Ca 0.30 -0.20 -0.04 0.00 -0.47 0.00 0.00 61.79 61.38 1rhx h SER 73 Cb 0.50 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.53 1rhx h SER 73 CO -0.09 1.17 -0.15 -0.33 -0.87 0.00 0.00 176.83 176.55 1rhx h GLU 74 N 0.02 0.08 0.29 4.77 5.08 -1.91 -2.49 114.58 120.43 1rhx h GLU 74 Ca -0.18 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.15 1rhx h GLU 74 Cb 1.94 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 31.18 1rhx h GLU 74 CO 0.12 0.24 -0.14 0.35 -1.00 0.00 0.00 179.01 178.59 1rhx h PHE 75 N 0.08 -0.36 -0.97 4.33 3.57 -1.45 -3.19 116.94 118.95 1rhx h PHE 75 Ca 0.02 -0.01 0.18 0.00 3.53 0.00 0.00 57.97 61.68 1rhx h PHE 75 Cb 0.32 0.12 -0.09 0.00 2.79 0.00 0.00 35.95 39.09 1rhx h PHE 75 CO 0.00 -0.17 0.61 0.82 -2.23 0.00 0.00 178.31 177.35 1rhx h ILE 76 N -0.48 0.75 -0.43 1.41 1.08 -1.42 0.16 117.51 118.59 1rhx h ILE 76 Ca -0.04 -0.24 0.12 0.00 -0.39 0.00 0.00 64.86 64.31 1rhx h ILE 76 Cb 0.36 -0.03 -0.02 0.00 -3.07 0.00 0.00 36.82 34.06 1rhx h ILE 76 CO 0.07 0.13 0.33 -0.78 -0.69 0.00 0.00 178.15 177.20 1rhx h ASP 77 N 0.71 0.00 1.44 1.72 3.58 -1.50 -0.71 116.42 121.66 1rhx h ASP 77 Ca 0.53 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.90 1rhx h ASP 77 Cb 0.88 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.92 1rhx h ASP 77 CO -0.30 0.00 -0.38 -0.07 -2.88 0.00 0.00 179.24 175.62 1rhx h LEU 78 N 0.00 0.00 0.00 2.28 3.38 -0.75 -3.37 115.31 116.85 1rhx h LEU 78 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1rhx h LEU 78 Cb 0.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1rhx h LEU 78 CO -0.00 0.38 0.00 0.18 0.09 0.00 0.00 178.44 179.09 1rhx n LEU 79 N -3.25 0.98 -2.28 1.67 7.99 -0.30 -4.92 117.00 116.89 1rhx n LEU 79 Ca 0.02 0.34 -0.06 0.00 -0.01 0.00 0.00 56.01 56.29 1rhx n LEU 79 Cb 0.64 -0.34 0.00 0.00 -0.11 0.00 0.00 43.42 43.62 1rhx n LEU 79 CO 0.38 -0.34 -0.06 -0.62 -1.51 0.00 0.00 177.39 175.25 1rhx n GLU 80 N -1.51 -0.35 0.00 3.23 -0.58 -1.07 -1.87 120.64 118.48 1rhx n GLU 80 Ca 0.00 0.21 0.00 0.00 -0.42 0.00 0.00 57.16 56.95 1rhx n GLU 80 Cb 0.00 -0.44 0.00 0.00 -0.57 0.00 0.00 31.44 30.43 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 -0.46 1.04 2.98 0.62 0.00 -1.26 -5.10 105.19 103.01 1rhx n GLY 81 Ca -0.05 0.00 -0.17 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 -0.73 0.57 -0.42 1.61 2.02 -0.78 -5.09 118.70 115.88 1rhx s GLU 82 Ca 0.00 -0.24 0.04 0.00 0.02 0.00 0.00 54.97 54.79 1rhx s GLU 82 Cb 0.00 -0.55 0.17 0.00 0.10 0.00 0.00 34.13 33.85 1rhx s GLU 82 CO 0.00 0.14 0.41 -1.21 0.02 0.00 0.00 175.26 174.62 1rhx s GLU 83 N -0.12 0.85 -0.20 1.61 2.02 -1.26 -4.78 118.70 116.82 1rhx s GLU 83 Ca 0.02 -1.62 0.08 0.00 0.02 0.00 0.00 54.97 53.47 1rhx s GLU 83 Cb -0.03 -1.02 0.24 0.00 0.10 0.00 0.00 34.13 33.42 1rhx s GLU 83 CO -0.00 -1.33 1.31 0.36 0.02 0.00 0.00 175.26 175.62 1rhx n LYS 84 N 3.22 0.80 -1.36 1.61 2.85 -1.26 -5.00 118.16 119.02 1rhx n LYS 84 Ca 0.23 -1.11 -0.00 0.00 -1.05 0.00 0.00 58.31 56.37 1rhx n LYS 84 Cb 0.48 0.46 0.01 0.00 -0.65 0.00 0.00 35.03 35.32 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 -0.91 -0.13 -3.08 5.58 -1.74 -1.21 -4.63 117.46 111.34 1rhx n PHE 85 Ca -0.22 -0.12 -0.06 0.00 -0.56 0.00 0.00 57.45 56.49 1rhx n PHE 85 Cb 0.80 0.55 0.02 0.00 1.52 0.00 0.00 39.48 42.37 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 -0.10 0.00 0.00 1.97 2.08 -0.90 -4.49 119.36 117.92 1rhx n ILE 86 Ca -0.02 -0.57 0.00 0.00 0.56 0.00 0.00 62.75 62.72 1rhx n ILE 86 Cb 0.48 -0.80 0.00 0.00 -0.75 0.00 0.00 39.64 38.57 1rhx n ILE 86 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72