#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 0.34 -0.72 -5.12 0.00 -1.26 -5.10 121.76 109.90 1rhx s ALA 2 Ca 0.00 -1.11 -0.07 0.00 0.00 0.00 0.00 51.96 50.78 1rhx s ALA 2 Cb 0.00 0.81 0.19 0.00 0.00 0.00 0.00 23.12 24.12 1rhx s ALA 2 CO 0.00 -0.57 0.58 -0.51 0.00 0.00 0.00 175.76 175.27 1rhx s LEU 3 N -2.99 5.85 -0.27 0.00 1.43 -1.26 -4.89 118.68 116.55 1rhx s LEU 3 Ca 0.19 -2.83 0.14 0.00 -1.03 0.00 0.00 54.13 50.59 1rhx s LEU 3 Cb 0.05 -2.00 0.48 0.00 0.03 0.00 0.00 46.19 44.75 1rhx s LEU 3 CO -0.00 -0.44 1.16 0.52 0.23 0.00 0.00 176.35 177.82 1rhx n VAL 4 N 3.62 1.99 -3.17 -1.59 0.31 -1.25 -1.85 118.33 116.40 1rhx n VAL 4 Ca 0.11 -3.63 0.05 0.00 -0.01 0.00 0.00 64.34 60.86 1rhx n VAL 4 Cb 0.41 -0.15 -0.02 0.00 -0.91 0.00 0.00 33.84 33.18 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 -3.58 -0.78 -0.33 7.52 2.34 -0.53 -4.21 118.68 119.10 1rhx s LEU 5 Ca 0.41 0.52 0.11 0.00 0.06 0.00 0.00 54.13 55.24 1rhx s LEU 5 Cb 0.37 1.67 0.46 0.00 -0.56 0.00 0.00 46.19 48.13 1rhx s LEU 5 CO 0.00 -0.15 1.12 0.55 -1.06 0.00 0.00 176.35 176.81 1rhx n VAL 6 N 5.44 2.03 -1.91 1.48 3.14 -1.26 -4.58 118.33 122.67 1rhx n VAL 6 Ca -0.05 -4.03 -0.14 0.00 -2.96 0.00 0.00 64.34 57.17 1rhx n VAL 6 Cb 0.53 -0.47 0.08 0.00 -1.06 0.00 0.00 33.84 32.92 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 -0.53 2.89 -2.36 1.45 2.85 -1.26 -2.90 118.16 118.29 1rhx n LYS 7 Ca 0.31 -3.86 0.01 0.00 -1.05 0.00 0.00 58.31 53.72 1rhx n LYS 7 Cb 0.82 -2.03 0.04 0.00 -0.65 0.00 0.00 35.03 33.22 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 -0.83 0.89 0.00 5.58 4.19 -1.26 -4.33 117.16 121.40 1rhx n TYR 8 Ca 0.35 -1.62 0.00 0.00 3.31 0.00 0.00 57.90 59.94 1rhx n TYR 8 Cb 0.88 -0.21 0.00 0.00 0.49 0.00 0.00 39.34 40.50 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 -0.26 0.38 2.28 2.98 0.00 -1.23 -4.56 105.19 104.77 1rhx n GLY 9 Ca 0.08 0.58 -0.24 0.00 0.00 0.00 0.00 46.02 46.44 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 3.16 -2.20 2.61 -2.24 -1.26 -3.86 114.28 110.49 1rhx n THR 10 Ca 0.00 -2.55 -0.14 0.00 -2.27 0.00 0.00 64.05 59.10 1rhx n THR 10 Cb 0.00 -1.47 0.05 0.00 -2.10 0.00 0.00 70.33 66.81 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 0.54 3.58 -3.60 3.42 -0.08 -1.26 -5.04 116.55 114.11 1rhx n ASP 11 Ca 0.43 -3.26 -0.01 0.00 -1.51 0.00 0.00 54.79 50.44 1rhx n ASP 11 Cb 0.56 -0.39 0.00 0.00 2.34 0.00 0.00 41.12 43.63 1rhx n ASP 11 CO 0.00 0.00 0.00 -1.38 0.12 0.00 0.00 177.20 175.94 1rhx s HIS 12 N -3.45 -0.02 0.67 -0.67 -3.43 -1.26 -4.57 115.29 102.55 1rhx s HIS 12 Ca 0.43 -0.24 -0.11 0.00 -0.80 0.00 0.00 55.06 54.34 1rhx s HIS 12 Cb 0.38 0.63 -0.01 0.00 -1.43 0.00 0.00 32.58 32.15 1rhx s HIS 12 CO -0.00 -0.65 1.05 -1.25 -2.00 0.00 0.00 174.74 171.89 1rhx s PRO 13 N -2.55 3.16 0.00 -0.38 0.04 -1.26 -4.23 135.00 129.78 1rhx s PRO 13 Ca 0.18 0.84 0.00 0.00 0.04 0.00 0.00 61.00 62.06 1rhx s PRO 13 Cb -0.00 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.52 1rhx s PRO 13 CO 0.01 -0.91 0.00 0.28 0.04 0.00 0.00 177.00 176.42 1rhx n VAL 14 N -2.99 0.00 0.00 -0.36 0.31 -1.26 -4.74 118.33 109.29 1rhx n VAL 14 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 1rhx n VAL 14 Cb 0.54 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.47 1rhx n VAL 14 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 1rhx n GLU 15 N 0.00 0.17 0.09 5.55 -0.00 -1.26 -2.43 120.64 122.76 1rhx n GLU 15 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 1rhx n GLU 15 Cb 0.00 -0.48 0.00 0.00 -0.00 0.00 0.00 31.44 30.96 1rhx n GLU 15 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 1rhx n LYS 16 N -0.49 0.00 0.27 3.44 3.00 -1.26 -4.42 118.16 118.71 1rhx n LYS 16 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 58.31 58.42 1rhx n LYS 16 Cb 0.00 -0.09 0.76 0.00 0.00 0.00 0.00 35.03 35.70 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 -1.50 3.14 3.38 -1.91 0.19 115.31 118.61 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 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1rhx h LEU 17 CO 0.00 0.03 0.12 0.07 0.09 0.00 0.00 178.44 178.75 1rhx h LYS 18 N 0.00 0.45 -0.04 1.13 -0.00 -1.82 -2.36 116.57 113.93 1rhx h LYS 18 Ca -0.00 -0.05 -0.16 0.00 -0.00 0.00 0.00 60.65 60.43 1rhx h LYS 18 Cb 0.06 -0.09 -0.01 0.00 -0.00 0.00 0.00 32.23 32.19 1rhx h LYS 18 CO 0.00 0.39 -0.70 0.97 -0.00 0.00 0.00 179.45 180.12 1rhx h ILE 19 N 0.45 1.43 -0.24 0.07 2.10 -0.87 -0.14 117.51 120.32 1rhx h ILE 19 Ca 0.11 -2.22 -0.13 0.00 1.08 0.00 0.00 64.86 63.70 1rhx h ILE 19 Cb 0.11 2.17 -0.00 0.00 -1.09 0.00 0.00 36.82 38.01 1rhx h ILE 19 CO -0.01 0.65 -0.37 0.03 -1.08 0.00 0.00 178.15 177.37 1rhx h ARG 20 N 0.13 0.67 -0.93 2.19 3.08 -1.34 -3.43 114.38 114.75 1rhx h ARG 20 Ca -0.02 -0.40 0.01 0.00 0.07 0.00 0.00 59.98 59.64 1rhx h ARG 20 Cb 1.24 0.04 -0.20 0.00 0.08 0.00 0.00 29.97 31.13 1rhx h ARG 20 CO 0.10 1.02 -0.38 -1.12 -1.07 0.00 0.00 179.97 178.52 1rhx s SER 21 N -6.61 -1.49 0.10 7.04 0.01 -0.93 -5.14 113.70 106.68 1rhx s SER 21 Ca -0.12 -0.23 -0.25 0.00 1.31 0.00 0.00 55.95 56.66 1rhx s SER 21 Cb 0.08 1.91 0.09 0.00 0.21 0.00 0.00 66.02 68.31 1rhx s SER 21 CO 0.83 -0.23 1.14 0.00 0.41 0.00 0.00 173.24 175.40 1rhx s ALA 22 N 2.40 -1.96 0.16 1.44 0.00 -0.08 -4.53 121.76 119.20 1rhx s ALA 22 Ca 0.14 -0.14 -0.04 0.00 0.00 0.00 0.00 51.96 51.92 1rhx s ALA 22 Cb -0.07 0.79 0.02 0.00 0.00 0.00 0.00 23.12 23.86 1rhx s ALA 22 CO -0.18 -1.10 0.29 1.17 0.00 0.00 0.00 175.76 175.95 1rhx n LYS 23 N -0.76 0.41 0.20 0.00 3.00 -1.26 -4.90 118.16 114.86 1rhx n LYS 23 Ca -0.01 -1.07 0.06 0.00 -0.00 0.00 0.00 58.31 57.30 1rhx n LYS 23 Cb 0.59 1.19 0.43 0.00 0.00 0.00 0.00 35.03 37.24 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 1.88 1.19 -0.61 3.14 0.00 -1.98 -3.25 119.26 119.63 1rhx h ALA 24 Ca -0.13 -0.29 -0.39 0.00 0.00 0.00 0.00 54.91 54.09 1rhx h ALA 24 Cb 0.53 -0.05 -0.18 0.00 0.00 0.00 0.00 17.79 18.08 1rhx h ALA 24 CO 0.17 0.40 0.51 -1.91 0.00 0.00 0.00 179.25 178.42 1rhx n GLU 25 N -3.75 1.97 -3.80 0.00 2.13 -1.26 -3.95 120.64 111.98 1rhx n GLU 25 Ca -0.01 -1.98 -0.22 0.00 0.66 0.00 0.00 57.16 55.61 1rhx n GLU 25 Cb 0.41 -1.78 -0.05 0.00 0.27 0.00 0.00 31.44 30.30 1rhx n GLU 25 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1rhx s ASP 26 N -0.37 4.85 -0.07 4.31 -1.08 -1.22 -5.02 116.67 118.07 1rhx s ASP 26 Ca 0.39 -0.82 0.03 0.00 -0.52 0.00 0.00 52.55 51.63 1rhx s ASP 26 Cb 0.31 -0.60 0.01 0.00 -1.46 0.00 0.00 42.92 41.18 1rhx s ASP 26 CO 0.01 -0.56 -0.16 -0.54 0.52 0.00 0.00 175.17 174.45 1rhx s LYS 27 N -4.02 2.07 0.06 4.34 1.02 -1.26 -2.65 119.74 119.29 1rhx s LYS 27 Ca 0.44 -0.56 -0.13 0.00 0.02 0.00 0.00 55.97 55.74 1rhx s LYS 27 Cb -0.01 -1.66 0.02 0.00 -0.52 0.00 0.00 37.83 35.66 1rhx s LYS 27 CO 0.26 0.10 0.30 0.42 -0.92 0.00 0.00 175.35 175.51 1rhx s ILE 28 N 0.49 0.09 -0.01 2.17 1.01 -0.71 -4.88 121.20 119.36 1rhx s ILE 28 Ca -0.14 -0.73 -0.16 0.00 0.00 0.00 0.00 60.65 59.62 1rhx s ILE 28 Cb -0.16 -1.04 0.03 0.00 0.01 0.00 0.00 42.46 41.30 1rhx s ILE 28 CO 0.05 -0.40 0.33 -0.69 0.00 0.00 0.00 174.94 174.23 1rhx s VAL 29 N -2.94 0.06 -0.02 2.92 1.01 -1.26 -3.39 120.40 116.78 1rhx s VAL 29 Ca -0.02 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 61.49 1rhx s VAL 29 Cb 0.00 -0.70 -0.04 0.00 0.00 0.00 0.00 36.38 35.65 1rhx s VAL 29 CO -0.06 -0.26 -0.00 -0.76 0.00 0.00 0.00 175.10 174.02 1rhx s LEU 30 N -1.45 3.49 0.28 3.92 1.43 -0.02 -4.87 118.68 121.45 1rhx s LEU 30 Ca -0.12 0.01 0.03 0.00 -1.03 0.00 0.00 54.13 53.02 1rhx s LEU 30 Cb -0.04 -1.97 -0.04 0.00 0.03 0.00 0.00 46.19 44.17 1rhx s LEU 30 CO 0.03 0.30 0.20 0.27 0.23 0.00 0.00 176.35 177.38 1rhx s ILE 31 N -1.04 0.07 0.00 -0.59 -4.36 -1.18 -1.42 121.20 112.68 1rhx s ILE 31 Ca 0.18 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.57 1rhx s ILE 31 Cb -0.11 -2.50 0.00 0.00 1.25 0.00 0.00 42.46 41.09 1rhx s ILE 31 CO 0.09 0.00 0.00 0.00 0.24 0.00 0.00 174.94 175.27 1rhx n GLN 32 N -0.48 0.00 0.00 0.37 1.13 -1.26 0.77 117.38 117.90 1rhx n GLN 32 Ca 0.04 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.10 1rhx n GLN 32 Cb 0.64 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.99 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 0.03 4.94 -0.51 1.08 5.03 -1.26 -4.66 115.26 119.92 1rhx n ASN 33 Ca 0.00 0.00 0.40 0.00 0.87 0.00 0.00 54.58 55.85 1rhx n ASN 33 Cb 0.00 0.57 0.65 0.00 -1.02 0.00 0.00 39.78 39.98 1rhx n ASN 33 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1rhx n GLY 34 N 2.90 -0.79 0.35 7.41 0.00 0.23 -0.57 105.19 114.72 1rhx n GLY 34 Ca 0.00 0.63 0.17 0.00 0.00 0.00 0.00 46.02 46.82 1rhx n GLY 34 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1rhx h VAL 35 N 0.00 0.12 0.00 1.61 -1.51 -1.79 0.45 116.25 115.13 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 2.85 0.66 0.00 0.00 -2.13 0.00 0.00 31.29 32.67 1rhx h VAL 35 CO -0.22 0.00 0.37 -0.26 -1.23 0.00 0.00 177.57 176.23 1rhx h PHE 36 N 0.00 0.00 0.00 5.19 -1.00 -1.18 -1.79 116.94 118.16 1rhx h PHE 36 Ca 0.06 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.81 1rhx h PHE 36 Cb 0.80 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.36 1rhx h PHE 36 CO 0.00 0.00 -0.13 -1.49 -1.61 0.00 0.00 178.31 175.08 1rhx h TRP 37 N 0.00 0.00 0.00 -0.55 4.06 -1.15 -3.35 115.95 114.97 1rhx h TRP 37 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1rhx h TRP 37 Cb 0.73 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.89 1rhx h TRP 37 CO 0.00 0.13 0.00 0.00 -3.56 0.00 0.00 178.44 175.01 1rhx n ALA 38 N -2.14 3.92 0.00 1.49 0.00 -0.67 -3.45 120.51 119.65 1rhx n ALA 38 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1rhx n ALA 38 Cb 0.52 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.96 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 1.47 0.00 -4.26 0.00 -0.00 -1.26 -1.35 117.00 111.61 1rhx n LEU 39 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 56.01 55.87 1rhx n LEU 39 Cb 0.49 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.81 1rhx n LEU 39 CO 0.00 0.00 -0.26 -1.61 -0.00 0.00 0.00 177.39 175.52 1rhx s GLU 40 N 0.00 1.28 -0.54 1.47 0.41 -1.22 -5.03 118.70 115.07 1rhx s GLU 40 Ca 0.00 -1.68 -0.01 0.00 -0.41 0.00 0.00 54.97 52.87 1rhx s GLU 40 Cb 0.00 -0.03 0.38 0.00 -1.78 0.00 0.00 34.13 32.70 1rhx s GLU 40 CO 0.00 -0.32 2.02 -0.85 -0.49 0.00 0.00 175.26 175.62 1rhx n GLU 41 N -0.35 2.36 -1.53 1.61 0.28 -1.26 -4.88 120.64 116.86 1rhx n GLU 41 Ca 0.00 -2.66 -0.01 0.00 -0.16 0.00 0.00 57.16 54.32 1rhx n GLU 41 Cb 0.66 -2.04 0.00 0.00 1.43 0.00 0.00 31.44 31.49 1rhx n GLU 41 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1rhx n LEU 42 N -0.49 0.00 -4.00 -1.84 4.77 -1.26 -5.14 117.00 109.03 1rhx n LEU 42 Ca 0.51 -0.35 -0.10 0.00 -0.03 0.00 0.00 56.01 56.04 1rhx n LEU 42 Cb 0.67 0.55 -0.07 0.00 -2.33 0.00 0.00 43.42 42.24 1rhx n LEU 42 CO 0.64 -0.12 -0.06 -1.83 -1.33 0.00 0.00 177.39 174.70 1rhx s GLU 43 N -2.01 1.16 -0.01 3.23 -1.05 -1.26 -4.84 118.70 113.91 1rhx s GLU 43 Ca 0.03 -1.24 0.00 0.00 -0.15 0.00 0.00 54.97 53.61 1rhx s GLU 43 Cb -0.01 0.36 0.01 0.00 -0.44 0.00 0.00 34.13 34.06 1rhx s GLU 43 CO 0.02 -0.41 0.00 -0.08 0.95 0.00 0.00 175.26 175.73 1rhx s THR 44 N -3.99 0.09 -1.88 1.83 -1.32 -1.02 -4.19 115.64 105.16 1rhx s THR 44 Ca 0.20 0.05 0.31 0.00 -1.21 0.00 0.00 61.69 61.03 1rhx s THR 44 Cb 0.04 -0.15 0.74 0.00 -1.51 0.00 0.00 72.50 71.62 1rhx s THR 44 CO 0.02 0.08 2.11 -0.81 -2.21 0.00 0.00 174.62 173.80 1rhx n PRO 45 N 3.63 0.90 -1.79 7.08 -0.04 -1.26 -4.92 135.00 138.60 1rhx n PRO 45 Ca -0.20 -0.11 -0.29 0.00 -0.04 0.00 0.00 63.50 62.85 1rhx n PRO 45 Cb 0.55 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.63 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 -2.18 2.30 -0.06 0.55 0.00 -1.25 -4.50 121.76 116.62 1rhx s ALA 46 Ca 0.41 -0.71 -0.29 0.00 0.00 0.00 0.00 51.96 51.36 1rhx s ALA 46 Cb 0.21 -2.95 -0.02 0.00 0.00 0.00 0.00 23.12 20.36 1rhx s ALA 46 CO 0.40 -2.01 0.98 -1.59 0.00 0.00 0.00 175.76 173.53 1rhx s LYS 47 N -5.54 4.48 0.01 0.00 -2.85 -1.09 -4.98 119.74 109.77 1rhx s LYS 47 Ca 0.65 1.37 -0.00 0.00 -1.00 0.00 0.00 55.97 56.99 1rhx s LYS 47 Cb -0.11 -3.50 -0.01 0.00 -2.06 0.00 0.00 37.83 32.15 1rhx s LYS 47 CO 0.51 -0.18 -0.01 0.14 0.10 0.00 0.00 175.35 175.90 1rhx s VAL 48 N 1.52 0.08 0.17 1.79 -7.23 -1.25 -1.74 120.40 113.73 1rhx s VAL 48 Ca 0.49 -0.64 -0.23 0.00 -1.81 0.00 0.00 61.98 59.79 1rhx s VAL 48 Cb -0.19 -0.20 0.06 0.00 0.56 0.00 0.00 36.38 36.61 1rhx s VAL 48 CO 0.22 -0.35 0.65 -0.31 -0.31 0.00 0.00 175.10 175.00 1rhx s TYR 49 N -1.04 -0.46 0.13 2.82 2.02 -1.22 -4.25 117.35 115.35 1rhx s TYR 49 Ca -0.11 0.21 0.07 0.00 -0.37 0.00 0.00 57.07 56.86 1rhx s TYR 49 Cb -0.07 0.59 -0.04 0.00 -0.40 0.00 0.00 41.96 42.04 1rhx s TYR 49 CO -0.01 -0.90 -0.16 0.00 -1.57 0.00 0.00 175.55 172.91 1rhx s ALA 50 N -3.73 1.65 -0.33 3.71 0.00 -0.91 -0.84 121.76 121.32 1rhx s ALA 50 Ca 0.03 -1.31 -0.29 0.00 0.00 0.00 0.00 51.96 50.39 1rhx s ALA 50 Cb -0.02 -0.14 0.02 0.00 0.00 0.00 0.00 23.12 22.98 1rhx s ALA 50 CO -0.09 0.19 1.13 0.42 0.00 0.00 0.00 175.76 177.40 1rhx s ILE 51 N -1.87 4.41 0.13 0.00 -1.09 -0.51 -1.39 121.20 120.88 1rhx s ILE 51 Ca 0.09 1.60 -0.29 0.00 -2.23 0.00 0.00 60.65 59.82 1rhx s ILE 51 Cb -0.06 -4.38 -0.05 0.00 -1.58 0.00 0.00 42.46 36.38 1rhx s ILE 51 CO 0.04 -0.53 1.58 0.50 -1.23 0.00 0.00 174.94 175.31 1rhx h LYS 52 N 8.43 -0.47 -0.46 2.79 3.64 -1.52 -2.54 116.57 126.45 1rhx h LYS 52 Ca -0.22 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.19 1rhx h LYS 52 Cb 1.07 0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.97 1rhx h LYS 52 CO 1.04 -0.31 0.26 -0.44 -2.27 0.00 0.00 179.45 177.74 1rhx h ASP 53 N -0.48 0.56 0.97 4.20 3.32 -1.91 -0.55 116.42 122.52 1rhx h ASP 53 Ca 0.08 -0.07 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 1rhx h ASP 53 Cb 0.62 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 1rhx h ASP 53 CO -0.40 0.47 -0.20 -2.24 -1.72 0.00 0.00 179.24 175.16 1rhx h ASP 54 N 0.60 0.00 -0.35 6.45 3.04 -1.94 0.30 116.42 124.52 1rhx h ASP 54 Ca 0.16 0.00 -0.12 0.00 -3.24 0.00 0.00 57.03 53.83 1rhx h ASP 54 Cb 0.02 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.30 1rhx h ASP 54 CO -0.03 0.20 -0.25 0.15 -2.04 0.00 0.00 179.24 177.27 1rhx h PHE 55 N 0.00 0.93 -0.80 4.15 3.57 -0.77 -0.70 116.94 123.32 1rhx h PHE 55 Ca -0.00 -0.25 -0.04 0.00 3.53 0.00 0.00 57.97 61.20 1rhx h PHE 55 Cb 0.73 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 39.23 1rhx h PHE 55 CO 0.00 1.01 0.33 -0.07 -2.23 0.00 0.00 178.31 177.36 1rhx h LEU 56 N 0.57 1.10 -0.17 0.59 3.38 -1.00 -0.24 115.31 119.54 1rhx h LEU 56 Ca 0.07 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1rhx h LEU 56 Cb 0.81 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1rhx h LEU 56 CO 0.07 0.96 0.00 0.00 0.09 0.00 0.00 178.44 179.56 1rhx n ALA 57 N -2.43 1.48 -1.62 1.53 0.00 0.08 -1.68 120.51 117.86 1rhx n ALA 57 Ca 0.07 -0.01 -0.22 0.00 0.00 0.00 0.00 53.44 53.28 1rhx n ALA 57 Cb 0.18 -1.21 0.09 0.00 0.00 0.00 0.00 19.45 18.52 1rhx n ALA 57 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1rhx n ARG 58 N -1.64 2.80 -0.75 0.00 0.63 -0.14 -4.96 116.66 112.59 1rhx n ARG 58 Ca 0.02 -3.59 0.00 0.00 -0.92 0.00 0.00 57.85 53.36 1rhx n ARG 58 Cb 0.13 -2.16 0.00 0.00 0.45 0.00 0.00 32.46 30.88 1rhx n ARG 58 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1rhx n GLY 59 N -0.91 0.08 3.97 5.14 0.00 -0.68 -4.97 105.19 107.82 1rhx n GLY 59 Ca 0.48 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.26 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 -1.22 2.16 0.00 1.61 2.02 -0.95 -5.01 117.35 115.96 1rhx s TYR 60 Ca 0.00 0.01 0.00 0.00 -0.37 0.00 0.00 57.07 56.71 1rhx s TYR 60 Cb 0.00 -3.12 0.00 0.00 -0.40 0.00 0.00 41.96 38.44 1rhx s TYR 60 CO 0.00 -1.58 0.00 -1.13 -1.57 0.00 0.00 175.55 171.27 1rhx n SER 61 N -2.86 1.90 0.04 2.29 3.41 -1.26 -4.26 113.62 112.88 1rhx n SER 61 Ca 0.12 -0.46 0.12 0.00 -0.26 0.00 0.00 58.87 58.39 1rhx n SER 61 Cb 0.60 0.00 0.29 0.00 -0.26 0.00 0.00 64.21 64.84 1rhx n SER 61 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1rhx n GLU 62 N -0.02 0.18 0.00 4.33 1.02 -1.26 -4.08 120.64 120.81 1rhx n GLU 62 Ca 0.00 0.07 0.05 0.00 -0.02 0.00 0.00 57.16 57.26 1rhx n GLU 62 Cb 0.00 -1.63 -0.04 0.00 -0.02 0.00 0.00 31.44 29.75 1rhx n GLU 62 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1rhx n GLU 63 N -1.90 3.40 0.20 3.49 1.02 -1.26 -4.13 120.64 121.46 1rhx n GLU 63 Ca 0.05 -0.17 0.14 0.00 -0.02 0.00 0.00 57.16 57.15 1rhx n GLU 63 Cb 0.40 -0.98 0.39 0.00 -0.02 0.00 0.00 31.44 31.23 1rhx n GLU 63 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1rhx h ASP 64 N 0.31 0.00 -3.31 1.62 3.32 -1.96 -3.44 116.42 112.96 1rhx h ASP 64 Ca 0.00 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.47 1rhx h ASP 64 Cb 0.25 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 39.72 1rhx h ASP 64 CO 0.00 0.00 -0.22 -0.55 -1.72 0.00 0.00 179.24 176.75 1rhx s SER 65 N -5.53 6.58 -0.50 6.45 0.15 -1.26 -4.83 113.70 114.77 1rhx s SER 65 Ca 0.06 0.69 -0.01 0.00 0.70 0.00 0.00 55.95 57.39 1rhx s SER 65 Cb 0.08 -2.24 0.40 0.00 -1.71 0.00 0.00 66.02 62.55 1rhx s SER 65 CO 0.59 0.04 1.97 2.29 1.20 0.00 0.00 173.24 179.33 1rhx n LYS 66 N 3.62 2.29 -4.08 5.44 2.85 -0.46 -4.88 118.16 122.94 1rhx n LYS 66 Ca -0.09 -2.62 -0.09 0.00 -1.05 0.00 0.00 58.31 54.47 1rhx n LYS 66 Cb 0.52 -2.03 -0.09 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 -3.64 0.14 -0.17 0.58 -7.23 -1.26 -4.92 120.40 103.90 1rhx s VAL 67 Ca 0.51 -1.76 -0.29 0.00 -1.81 0.00 0.00 61.98 58.63 1rhx s VAL 67 Cb 0.41 -1.78 -0.03 0.00 0.56 0.00 0.00 36.38 35.53 1rhx s VAL 67 CO 0.01 -0.65 1.62 -2.16 -0.31 0.00 0.00 175.10 173.61 1rhx s PRO 68 N -3.98 3.91 -0.39 4.82 0.04 -1.26 -4.81 135.00 133.33 1rhx s PRO 68 Ca 0.16 1.82 -0.29 0.00 0.04 0.00 0.00 61.00 62.73 1rhx s PRO 68 Cb 0.07 -4.01 0.02 0.00 0.04 0.00 0.00 34.50 30.62 1rhx s PRO 68 CO -0.04 -1.15 1.09 -0.51 0.04 0.00 0.00 177.00 176.43 1rhx s LEU 69 N 4.85 3.81 0.39 -3.56 1.43 -1.26 -2.14 118.68 122.19 1rhx s LEU 69 Ca 0.72 0.75 0.08 0.00 -1.03 0.00 0.00 54.13 54.65 1rhx s LEU 69 Cb -0.27 -3.52 -0.04 0.00 0.03 0.00 0.00 46.19 42.39 1rhx s LEU 69 CO 0.29 -1.04 0.26 0.27 0.23 0.00 0.00 176.35 176.35 1rhx s ILE 70 N 3.98 2.77 0.83 -0.59 -4.36 -0.49 -4.84 121.20 118.50 1rhx s ILE 70 Ca 0.46 -1.53 -0.12 0.00 -0.26 0.00 0.00 60.65 59.20 1rhx s ILE 70 Cb -0.10 -3.02 0.10 0.00 1.25 0.00 0.00 42.46 40.69 1rhx s ILE 70 CO 0.23 -0.07 1.20 0.42 0.24 0.00 0.00 174.94 176.95 1rhx s THR 71 N -2.47 2.01 0.41 8.37 -4.23 -1.26 -1.29 115.64 117.18 1rhx s THR 71 Ca 0.43 -0.01 0.14 0.00 -1.18 0.00 0.00 61.69 61.07 1rhx s THR 71 Cb -0.01 -3.00 0.35 0.00 1.34 0.00 0.00 72.50 71.17 1rhx s THR 71 CO 0.25 0.00 1.91 1.88 -0.54 0.00 0.00 174.62 178.12 1rhx h TYR 72 N -1.13 0.56 -0.08 3.99 0.05 -1.97 -2.92 116.97 115.46 1rhx h TYR 72 Ca -0.46 0.02 -0.23 0.00 0.05 0.00 0.00 58.73 58.11 1rhx h TYR 72 Cb 1.32 -0.18 0.01 0.00 1.01 0.00 0.00 36.73 38.89 1rhx h TYR 72 CO 0.10 0.21 -0.87 0.66 -1.05 0.00 0.00 178.16 177.22 1rhx h SER 73 N 0.48 0.83 -0.78 3.88 4.64 -2.00 -2.62 113.55 117.98 1rhx h SER 73 Ca 0.39 -0.59 0.05 0.00 -0.47 0.00 0.00 61.79 61.17 1rhx h SER 73 Cb 0.81 -0.25 -0.05 0.00 -0.31 0.00 0.00 62.40 62.61 1rhx h SER 73 CO -0.14 1.38 0.51 -0.33 -0.87 0.00 0.00 176.83 177.38 1rhx h GLU 74 N 0.43 0.85 -0.22 4.77 4.39 -1.91 -1.30 114.58 121.60 1rhx h GLU 74 Ca -0.07 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.57 1rhx h GLU 74 Cb 1.49 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 29.94 1rhx h GLU 74 CO 0.17 0.57 0.12 0.35 -1.16 0.00 0.00 179.01 179.05 1rhx h PHE 75 N 0.88 0.30 -0.97 4.33 3.57 -1.34 -2.96 116.94 120.75 1rhx h PHE 75 Ca 0.33 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.91 1rhx h PHE 75 Cb 0.17 -0.09 -0.08 0.00 2.79 0.00 0.00 35.95 38.74 1rhx h PHE 75 CO -0.00 0.27 0.61 0.82 -2.23 0.00 0.00 178.31 177.78 1rhx h ILE 76 N 0.24 0.99 -0.54 1.41 1.08 -0.88 -1.00 117.51 118.80 1rhx h ILE 76 Ca 0.08 -0.35 0.13 0.00 -0.39 0.00 0.00 64.86 64.32 1rhx h ILE 76 Cb 0.07 -0.13 -0.03 0.00 -3.07 0.00 0.00 36.82 33.66 1rhx h ILE 76 CO -0.01 0.19 0.38 -0.78 -0.69 0.00 0.00 178.15 177.23 1rhx h ASP 77 N 1.03 0.15 0.48 1.72 3.58 -1.22 -0.74 116.42 121.43 1rhx h ASP 77 Ca 0.45 0.01 -0.09 0.00 0.42 0.00 0.00 57.03 57.82 1rhx h ASP 77 Cb 0.33 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.34 1rhx h ASP 77 CO -0.22 0.08 -0.43 -0.07 -2.88 0.00 0.00 179.24 175.72 1rhx h LEU 78 N 0.16 0.00 0.00 2.28 3.38 -1.19 -3.35 115.31 116.59 1rhx h LEU 78 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1rhx h LEU 78 Cb 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1rhx h LEU 78 CO -0.04 0.43 0.00 0.18 0.09 0.00 0.00 178.44 179.10 1rhx n LEU 79 N -3.94 1.10 -3.89 1.67 7.99 -0.29 -4.85 117.00 114.79 1rhx n LEU 79 Ca -0.02 0.11 -0.32 0.00 -0.01 0.00 0.00 56.01 55.78 1rhx n LEU 79 Cb 0.47 0.00 0.01 0.00 -0.11 0.00 0.00 43.42 43.79 1rhx n LEU 79 CO 0.39 0.00 -0.14 -0.62 -1.51 0.00 0.00 177.39 175.51 1rhx n GLU 80 N -0.29 -0.57 -0.12 3.23 -0.58 -1.20 -2.18 120.64 118.92 1rhx n GLU 80 Ca 0.00 0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.77 1rhx n GLU 80 Cb 0.00 -1.55 0.00 0.00 -0.57 0.00 0.00 31.44 29.32 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 -1.71 0.93 3.29 0.62 0.00 -1.26 -5.10 105.19 101.96 1rhx n GLY 81 Ca -0.11 -0.10 -0.27 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.38 1.52 -0.40 1.61 2.02 -0.93 -5.09 118.70 117.06 1rhx s GLU 82 Ca 0.00 -1.02 0.11 0.00 0.02 0.00 0.00 54.97 54.07 1rhx s GLU 82 Cb 0.00 -1.68 0.37 0.00 0.10 0.00 0.00 34.13 32.92 1rhx s GLU 82 CO 0.00 0.43 1.03 0.39 0.02 0.00 0.00 175.26 177.13 1rhx n GLU 83 N 1.76 1.07 -2.49 1.61 1.02 -1.26 -4.80 120.64 117.54 1rhx n GLU 83 Ca -0.17 -2.57 -0.02 0.00 -0.02 0.00 0.00 57.16 54.38 1rhx n GLU 83 Cb 0.53 -1.05 0.09 0.00 -0.02 0.00 0.00 31.44 30.98 1rhx n GLU 83 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1rhx n LYS 84 N 0.06 1.26 -2.23 3.49 -0.00 -1.26 -4.98 118.16 114.49 1rhx n LYS 84 Ca 0.10 -1.68 -0.03 0.00 -0.00 0.00 0.00 58.31 56.69 1rhx n LYS 84 Cb 0.74 0.01 0.08 0.00 -0.00 0.00 0.00 35.03 35.85 1rhx n LYS 84 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.40 179.37 1rhx n PHE 85 N -1.13 -1.44 -3.38 5.58 -1.74 -1.24 -4.50 117.46 109.60 1rhx n PHE 85 Ca -0.13 -1.40 -0.05 0.00 -0.56 0.00 0.00 57.45 55.31 1rhx n PHE 85 Cb 0.85 1.23 0.00 0.00 1.52 0.00 0.00 39.48 43.09 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 -1.11 0.00 -1.47 1.97 2.08 -0.77 -4.62 119.36 115.43 1rhx n ILE 86 Ca -0.20 -0.40 0.00 0.00 0.56 0.00 0.00 62.75 62.72 1rhx n ILE 86 Cb 0.83 -0.58 0.00 0.00 -0.75 0.00 0.00 39.64 39.14 1rhx n ILE 86 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72