#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 2.26 -0.61 3.04 0.00 -1.26 -5.10 121.76 120.09 1rhx s ALA 2 Ca 0.00 -1.47 -0.17 0.00 0.00 0.00 0.00 51.96 50.32 1rhx s ALA 2 Cb 0.00 -0.32 0.13 0.00 0.00 0.00 0.00 23.12 22.93 1rhx s ALA 2 CO 0.00 0.44 0.64 -0.51 0.00 0.00 0.00 175.76 176.33 1rhx s LEU 3 N -2.24 5.91 -0.28 0.00 1.43 -1.26 -4.87 118.68 117.37 1rhx s LEU 3 Ca 0.14 -1.78 0.14 0.00 -1.03 0.00 0.00 54.13 51.60 1rhx s LEU 3 Cb -0.09 -2.25 0.48 0.00 0.03 0.00 0.00 46.19 44.36 1rhx s LEU 3 CO 0.07 -0.93 1.15 0.52 0.23 0.00 0.00 176.35 177.39 1rhx n VAL 4 N 5.21 1.98 -3.51 -1.59 0.31 -1.24 -2.55 118.33 116.95 1rhx n VAL 4 Ca -0.07 -3.67 -0.15 0.00 -0.01 0.00 0.00 64.34 60.44 1rhx n VAL 4 Cb 0.42 -0.09 -0.05 0.00 -0.91 0.00 0.00 33.84 33.21 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 -3.68 -0.57 -0.18 7.52 2.34 -1.09 -4.31 118.68 118.70 1rhx s LEU 5 Ca 0.41 0.47 0.16 0.00 0.06 0.00 0.00 54.13 55.22 1rhx s LEU 5 Cb 0.37 2.41 0.36 0.00 -0.56 0.00 0.00 46.19 48.78 1rhx s LEU 5 CO 0.00 -0.65 1.23 0.55 -1.06 0.00 0.00 176.35 176.43 1rhx n VAL 6 N 0.52 0.39 -0.80 1.48 3.14 -1.26 -4.49 118.33 117.30 1rhx n VAL 6 Ca -0.16 -1.39 -0.20 0.00 -2.96 0.00 0.00 64.34 59.63 1rhx n VAL 6 Cb 0.59 1.00 0.07 0.00 -1.06 0.00 0.00 33.84 34.44 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 -0.55 1.97 -2.36 1.45 2.85 -1.26 -1.72 118.16 118.53 1rhx n LYS 7 Ca -0.08 -2.01 -0.00 0.00 -1.05 0.00 0.00 58.31 55.17 1rhx n LYS 7 Cb 0.87 -1.79 0.05 0.00 -0.65 0.00 0.00 35.03 33.51 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 -0.21 0.23 0.00 5.58 4.01 -1.26 -4.32 117.16 121.19 1rhx n TYR 8 Ca 0.39 -1.56 0.00 0.00 -0.16 0.00 0.00 57.90 56.57 1rhx n TYR 8 Cb 0.83 0.20 0.00 0.00 -0.31 0.00 0.00 39.34 40.06 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 -0.50 0.52 3.05 2.72 0.00 -1.20 -4.71 105.19 105.07 1rhx n GLY 9 Ca -0.01 0.60 -0.34 0.00 0.00 0.00 0.00 46.02 46.27 1rhx n GLY 9 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1rhx s THR 10 N 0.00 3.52 -0.29 2.61 -4.23 -1.26 -4.12 115.64 111.86 1rhx s THR 10 Ca 0.00 -3.37 0.14 0.00 -1.18 0.00 0.00 61.69 57.28 1rhx s THR 10 Cb 0.00 -3.29 0.39 0.00 1.34 0.00 0.00 72.50 70.94 1rhx s THR 10 CO 0.00 -0.92 1.44 -0.67 -0.54 0.00 0.00 174.62 173.93 1rhx n ASP 11 N 3.00 -0.97 -3.24 3.99 2.03 -1.26 -5.14 116.55 114.97 1rhx n ASP 11 Ca 0.11 -2.17 -0.08 0.00 0.52 0.00 0.00 54.79 53.17 1rhx n ASP 11 Cb 0.36 0.48 0.01 0.00 -0.72 0.00 0.00 41.12 41.25 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 -0.43 0.02 0.66 -0.67 -3.43 -1.26 -4.77 115.29 105.40 1rhx s HIS 12 Ca 0.11 -0.62 -0.10 0.00 -0.80 0.00 0.00 55.06 53.66 1rhx s HIS 12 Cb 0.39 0.80 0.01 0.00 -1.43 0.00 0.00 32.58 32.34 1rhx s HIS 12 CO -0.11 -1.45 1.03 -1.25 -2.00 0.00 0.00 174.74 170.96 1rhx s PRO 13 N -2.82 2.98 0.00 -0.38 0.04 -1.26 -4.05 135.00 129.50 1rhx s PRO 13 Ca 0.14 0.36 0.00 0.00 0.04 0.00 0.00 61.00 61.54 1rhx s PRO 13 Cb -0.05 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 32.38 1rhx s PRO 13 CO 0.10 -0.87 0.00 0.28 0.04 0.00 0.00 177.00 176.55 1rhx n VAL 14 N -2.84 0.00 -2.34 -0.36 0.31 -1.26 -4.78 118.33 107.07 1rhx n VAL 14 Ca 0.06 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.38 1rhx n VAL 14 Cb 0.57 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.49 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 0.17 0.05 5.55 1.02 -1.26 -3.71 120.64 122.45 1rhx n GLU 15 Ca 0.00 -1.67 0.00 0.00 -0.02 0.00 0.00 57.16 55.47 1rhx n GLU 15 Cb 0.00 0.11 0.00 0.00 -0.02 0.00 0.00 31.44 31.53 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 0.14 0.00 0.07 3.49 3.00 -1.26 -4.68 118.16 118.92 1rhx n LYS 16 Ca -0.08 0.00 0.14 0.00 -0.00 0.00 0.00 58.31 58.37 1rhx n LYS 16 Cb 0.94 0.00 0.63 0.00 0.00 0.00 0.00 35.03 36.60 1rhx n LYS 16 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 1rhx h LEU 17 N 0.00 0.08 -2.02 3.14 7.12 -1.92 0.29 115.31 122.01 1rhx h LEU 17 Ca 0.00 0.00 0.11 0.00 0.13 0.00 0.00 57.88 58.12 1rhx h LEU 17 Cb 0.00 -0.02 -0.01 0.00 -0.53 0.00 0.00 40.66 40.10 1rhx h LEU 17 CO 0.00 0.05 0.28 0.07 -0.13 0.00 0.00 178.44 178.71 1rhx h LYS 18 N 0.09 0.00 0.03 1.25 -0.00 -1.82 -1.23 116.57 114.90 1rhx h LYS 18 Ca 0.17 0.00 -0.22 0.00 -0.00 0.00 0.00 60.65 60.61 1rhx h LYS 18 Cb 0.57 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 32.79 1rhx h LYS 18 CO -0.02 0.00 -0.97 0.97 -0.00 0.00 0.00 179.45 179.43 1rhx h ILE 19 N 0.00 1.52 -0.26 0.07 2.10 -0.76 0.57 117.51 120.75 1rhx h ILE 19 Ca 0.18 -2.81 -0.15 0.00 1.08 0.00 0.00 64.86 63.16 1rhx h ILE 19 Cb 0.73 2.61 -0.01 0.00 -1.09 0.00 0.00 36.82 39.06 1rhx h ILE 19 CO -0.00 0.82 -0.46 0.03 -1.08 0.00 0.00 178.15 177.46 1rhx h ARG 20 N 0.09 0.67 -1.16 2.19 -0.00 -1.26 -3.43 114.38 111.48 1rhx h ARG 20 Ca -0.06 -0.37 0.14 0.00 -0.50 0.00 0.00 59.98 59.18 1rhx h ARG 20 Cb 1.64 0.02 -0.22 0.00 0.00 0.00 0.00 29.97 31.42 1rhx h ARG 20 CO 0.15 0.99 0.00 -1.12 0.00 0.00 0.00 179.97 179.99 1rhx s SER 21 N -6.88 -0.89 -0.05 7.04 0.01 -0.78 -5.14 113.70 107.01 1rhx s SER 21 Ca -0.08 0.94 -0.31 0.00 1.31 0.00 0.00 55.95 57.81 1rhx s SER 21 Cb 0.12 1.90 0.11 0.00 0.21 0.00 0.00 66.02 68.36 1rhx s SER 21 CO 0.85 -0.17 1.12 0.00 0.41 0.00 0.00 173.24 175.45 1rhx s ALA 22 N 2.74 -2.00 0.13 1.44 0.00 0.19 -4.14 121.76 120.12 1rhx s ALA 22 Ca 0.02 0.98 0.02 0.00 0.00 0.00 0.00 51.96 52.98 1rhx s ALA 22 Cb -0.10 0.25 -0.01 0.00 0.00 0.00 0.00 23.12 23.26 1rhx s ALA 22 CO -0.18 -0.82 0.13 1.17 0.00 0.00 0.00 175.76 176.06 1rhx n LYS 23 N -0.30 0.18 0.15 0.00 3.00 -1.26 -4.89 118.16 115.04 1rhx n LYS 23 Ca -0.05 -1.20 0.12 0.00 -0.00 0.00 0.00 58.31 57.19 1rhx n LYS 23 Cb 0.61 1.02 0.53 0.00 0.00 0.00 0.00 35.03 37.19 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 1.46 1.00 -0.71 3.14 0.00 -1.98 -2.99 119.26 119.19 1rhx h ALA 24 Ca -0.09 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.33 1rhx h ALA 24 Cb 0.45 0.00 -0.31 0.00 0.00 0.00 0.00 17.79 17.93 1rhx h ALA 24 CO 0.13 0.00 -0.17 -1.91 0.00 0.00 0.00 179.25 177.30 1rhx n GLU 25 N -2.34 2.88 -3.13 0.00 2.13 -1.26 -4.08 120.64 114.85 1rhx n GLU 25 Ca 0.02 -3.67 -0.20 0.00 0.66 0.00 0.00 57.16 53.96 1rhx n GLU 25 Cb 0.22 -2.16 0.01 0.00 0.27 0.00 0.00 31.44 29.78 1rhx n GLU 25 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1rhx s ASP 26 N -2.84 5.78 -0.04 4.31 1.01 -1.13 -5.03 116.67 118.73 1rhx s ASP 26 Ca 0.53 -0.02 0.01 0.00 0.71 0.00 0.00 52.55 53.78 1rhx s ASP 26 Cb 0.44 -1.22 0.02 0.00 1.01 0.00 0.00 42.92 43.17 1rhx s ASP 26 CO 0.01 -0.67 -0.04 -0.54 0.21 0.00 0.00 175.17 174.15 1rhx s LYS 27 N -4.41 0.76 0.03 8.23 3.01 -1.26 -2.87 119.74 123.23 1rhx s LYS 27 Ca 0.49 -0.07 -0.15 0.00 -1.01 0.00 0.00 55.97 55.23 1rhx s LYS 27 Cb -0.10 -0.80 0.02 0.00 -1.01 0.00 0.00 37.83 35.94 1rhx s LYS 27 CO 0.35 -0.10 0.33 0.42 0.51 0.00 0.00 175.35 176.86 1rhx s ILE 28 N 0.98 0.07 -0.01 2.17 1.01 -0.99 -4.81 121.20 119.61 1rhx s ILE 28 Ca -0.10 -0.60 -0.15 0.00 0.00 0.00 0.00 60.65 59.81 1rhx s ILE 28 Cb -0.14 -0.88 0.02 0.00 0.01 0.00 0.00 42.46 41.47 1rhx s ILE 28 CO -0.00 -0.33 0.30 -0.69 0.00 0.00 0.00 174.94 174.22 1rhx s VAL 29 N -2.31 0.06 -0.01 2.92 1.01 -1.26 -3.31 120.40 117.50 1rhx s VAL 29 Ca -0.07 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 61.44 1rhx s VAL 29 Cb -0.02 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.72 1rhx s VAL 29 CO -0.02 -0.27 -0.01 -0.76 0.00 0.00 0.00 175.10 174.05 1rhx s LEU 30 N -1.34 3.46 0.23 3.92 1.43 -0.18 -4.85 118.68 121.35 1rhx s LEU 30 Ca -0.14 -0.01 0.00 0.00 -1.03 0.00 0.00 54.13 52.95 1rhx s LEU 30 Cb -0.05 -1.96 -0.04 0.00 0.03 0.00 0.00 46.19 44.16 1rhx s LEU 30 CO 0.04 0.29 0.14 0.27 0.23 0.00 0.00 176.35 177.32 1rhx s ILE 31 N -1.05 0.12 0.00 -0.59 -4.36 -1.26 -0.76 121.20 113.30 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 -2.53 0.00 0.00 1.25 0.00 0.00 42.46 41.07 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 -0.35 0.00 0.24 0.37 1.13 -1.26 0.31 117.38 117.82 1rhx n GLN 32 Ca 0.02 0.00 0.13 0.00 -1.94 0.00 0.00 57.00 55.21 1rhx n GLN 32 Cb 0.66 0.00 0.47 0.00 0.11 0.00 0.00 30.24 31.48 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 -1.50 1.08 2.35 -1.80 -3.17 115.58 112.55 1rhx h ASN 33 Ca 0.00 0.00 0.47 0.00 -0.55 0.00 0.00 56.30 56.22 1rhx h ASN 33 Cb 0.00 0.00 -0.11 0.00 0.05 0.00 0.00 38.32 38.26 1rhx h ASN 33 CO 0.00 0.10 1.01 1.23 -1.65 0.00 0.00 177.43 178.12 1rhx h GLY 34 N 2.54 0.88 0.98 2.83 0.00 0.74 -1.05 103.07 110.00 1rhx h GLY 34 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.26 1rhx h GLY 34 CO 0.01 -0.28 0.51 -0.39 0.00 0.00 0.00 176.54 176.39 1rhx h VAL 35 N 0.05 0.00 0.00 4.60 -1.51 -1.51 -0.67 116.25 117.21 1rhx h VAL 35 Ca 0.84 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 66.31 1rhx h VAL 35 Cb 2.91 0.49 0.00 0.00 -2.13 0.00 0.00 31.29 32.56 1rhx h VAL 35 CO -0.29 0.00 0.27 -0.26 -1.23 0.00 0.00 177.57 176.06 1rhx h PHE 36 N 0.00 0.00 0.00 5.19 -1.00 -1.48 -1.46 116.94 118.19 1rhx h PHE 36 Ca 0.00 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.75 1rhx h PHE 36 Cb 1.02 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.57 1rhx h PHE 36 CO 0.00 0.00 -0.14 -1.49 -1.61 0.00 0.00 178.31 175.07 1rhx h TRP 37 N 0.00 0.00 0.00 -0.55 4.06 -1.38 -3.33 115.95 114.75 1rhx h TRP 37 Ca 0.00 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.94 1rhx h TRP 37 Cb 0.54 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.70 1rhx h TRP 37 CO 0.00 0.14 -0.02 0.00 -3.56 0.00 0.00 178.44 175.00 1rhx n ALA 38 N -2.18 4.08 0.00 1.49 0.00 -0.55 -3.01 120.51 120.33 1rhx n ALA 38 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1rhx n ALA 38 Cb 0.38 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.75 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 1.55 0.00 0.00 0.00 -0.00 -1.25 -1.15 117.00 116.16 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 0.01 0.00 0.00 -0.62 -0.00 0.00 0.00 177.39 176.78 1rhx n GLU 40 N 0.00 1.61 -2.63 1.47 -0.58 -1.16 -5.09 120.64 114.25 1rhx n GLU 40 Ca 0.00 0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.64 1rhx n GLU 40 Cb 0.00 0.00 0.03 0.00 -0.57 0.00 0.00 31.44 30.90 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 -0.60 1.93 0.00 3.49 0.28 -1.26 -5.06 120.64 119.42 1rhx n GLU 41 Ca 0.00 -3.61 0.00 0.00 -0.16 0.00 0.00 57.16 53.39 1rhx n GLU 41 Cb 0.00 -1.62 0.00 0.00 1.43 0.00 0.00 31.44 31.25 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 -0.38 0.00 -3.74 -1.84 -0.00 -1.26 -5.16 117.00 104.62 1rhx n LEU 42 Ca 0.16 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 56.04 1rhx n LEU 42 Cb 0.81 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 44.14 1rhx n LEU 42 CO 0.22 0.00 0.06 -1.83 -0.00 0.00 0.00 177.39 175.84 1rhx s GLU 43 N 4.17 0.60 0.02 1.96 -1.05 -1.26 -5.08 118.70 118.05 1rhx s GLU 43 Ca 0.00 0.11 0.05 0.00 -0.15 0.00 0.00 54.97 54.99 1rhx s GLU 43 Cb 0.00 0.28 -0.02 0.00 -0.44 0.00 0.00 34.13 33.95 1rhx s GLU 43 CO 0.00 -0.14 -0.16 -0.08 0.95 0.00 0.00 175.26 175.82 1rhx s THR 44 N -0.73 1.30 -1.95 1.83 -1.32 -1.24 -4.41 115.64 109.12 1rhx s THR 44 Ca -0.08 -0.89 0.23 0.00 -1.21 0.00 0.00 61.69 59.73 1rhx s THR 44 Cb -0.04 -1.12 -0.02 0.00 -1.51 0.00 0.00 72.50 69.81 1rhx s THR 44 CO 0.03 0.21 1.09 -0.81 -2.21 0.00 0.00 174.62 172.93 1rhx n PRO 45 N 2.25 1.10 -1.84 7.08 -0.04 -1.26 -5.04 135.00 137.25 1rhx n PRO 45 Ca -0.16 -0.91 -0.30 0.00 -0.04 0.00 0.00 63.50 62.10 1rhx n PRO 45 Cb 0.54 -1.48 0.18 0.00 -0.04 0.00 0.00 33.50 32.70 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 -2.52 2.14 0.19 0.55 0.00 -1.25 -4.42 121.76 116.44 1rhx s ALA 46 Ca 0.18 -1.08 -0.30 0.00 0.00 0.00 0.00 51.96 50.76 1rhx s ALA 46 Cb 0.18 -2.82 -0.08 0.00 0.00 0.00 0.00 23.12 20.40 1rhx s ALA 46 CO 0.60 -2.42 0.97 -1.59 0.00 0.00 0.00 175.76 173.31 1rhx s LYS 47 N -5.79 4.76 0.00 0.00 -2.85 -1.14 -5.01 119.74 109.72 1rhx s LYS 47 Ca 0.72 1.51 -0.01 0.00 -1.00 0.00 0.00 55.97 57.19 1rhx s LYS 47 Cb -0.06 -3.31 -0.00 0.00 -2.06 0.00 0.00 37.83 32.40 1rhx s LYS 47 CO 0.53 0.35 0.00 0.14 0.10 0.00 0.00 175.35 176.47 1rhx s VAL 48 N -0.64 0.03 0.17 1.79 -7.23 -1.25 -2.34 120.40 110.93 1rhx s VAL 48 Ca 0.44 -0.29 -0.22 0.00 -1.81 0.00 0.00 61.98 60.11 1rhx s VAL 48 Cb -0.26 -0.11 0.06 0.00 0.56 0.00 0.00 36.38 36.64 1rhx s VAL 48 CO 0.32 -0.16 0.59 -0.31 -0.31 0.00 0.00 175.10 175.23 1rhx s TYR 49 N -0.46 -0.46 0.02 2.82 2.02 -1.21 -4.39 117.35 115.68 1rhx s TYR 49 Ca -0.05 0.22 -0.03 0.00 -0.37 0.00 0.00 57.07 56.84 1rhx s TYR 49 Cb -0.03 0.54 -0.01 0.00 -0.40 0.00 0.00 41.96 42.05 1rhx s TYR 49 CO -0.00 -0.87 0.04 0.00 -1.57 0.00 0.00 175.55 173.15 1rhx s ALA 50 N -3.77 -0.03 -0.49 3.71 0.00 -0.74 -1.01 121.76 119.43 1rhx s ALA 50 Ca 0.02 -0.47 -0.29 0.00 0.00 0.00 0.00 51.96 51.22 1rhx s ALA 50 Cb -0.01 0.16 0.03 0.00 0.00 0.00 0.00 23.12 23.30 1rhx s ALA 50 CO -0.11 -0.21 1.17 0.42 0.00 0.00 0.00 175.76 177.03 1rhx s ILE 51 N -1.74 4.15 0.12 0.00 -1.09 0.06 -0.90 121.20 121.80 1rhx s ILE 51 Ca -0.13 1.15 -0.29 0.00 -2.23 0.00 0.00 60.65 59.15 1rhx s ILE 51 Cb -0.07 -4.59 -0.07 0.00 -1.58 0.00 0.00 42.46 36.15 1rhx s ILE 51 CO -0.01 -1.04 1.60 0.50 -1.23 0.00 0.00 174.94 174.76 1rhx h LYS 52 N 9.42 -0.52 -0.99 2.79 3.64 -1.34 -0.51 116.57 129.05 1rhx h LYS 52 Ca -0.24 0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.20 1rhx h LYS 52 Cb 1.06 0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 32.95 1rhx h LYS 52 CO 1.13 -0.35 0.65 -0.44 -2.27 0.00 0.00 179.45 178.18 1rhx h ASP 53 N -0.54 1.11 -0.44 4.20 5.19 -1.92 -0.45 116.42 123.56 1rhx h ASP 53 Ca 0.04 -0.02 -0.09 0.00 -0.62 0.00 0.00 57.03 56.35 1rhx h ASP 53 Cb 0.61 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 39.84 1rhx h ASP 53 CO -0.26 0.78 -0.06 0.44 -3.12 0.00 0.00 179.24 177.02 1rhx h ASP 54 N 1.29 0.82 -0.52 6.45 5.19 -1.84 -1.09 116.42 126.72 1rhx h ASP 54 Ca 0.38 -0.34 -0.02 0.00 -0.62 0.00 0.00 57.03 56.43 1rhx h ASP 54 Cb -0.06 -0.22 -0.02 0.00 0.18 0.00 0.00 39.33 39.20 1rhx h ASP 54 CO -0.10 0.96 0.25 0.15 -3.12 0.00 0.00 179.24 177.38 1rhx h PHE 55 N 0.66 0.76 -0.43 4.55 3.57 -0.40 0.19 116.94 125.84 1rhx h PHE 55 Ca 0.12 -0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 1rhx h PHE 55 Cb 0.58 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 1rhx h PHE 55 CO 0.04 0.60 0.20 -0.07 -2.23 0.00 0.00 178.31 176.85 1rhx h LEU 56 N 0.70 0.56 -1.95 0.59 3.38 -1.07 -0.37 115.31 117.15 1rhx h LEU 56 Ca 0.18 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1rhx h LEU 56 Cb 0.12 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 1rhx h LEU 56 CO -0.02 0.53 -0.06 0.00 0.09 0.00 0.00 178.44 178.98 1rhx h ALA 57 N 1.05 1.10 -0.81 1.53 0.00 -0.76 -2.51 119.26 118.85 1rhx h ALA 57 Ca 0.15 -0.06 -0.50 0.00 0.00 0.00 0.00 54.91 54.50 1rhx h ALA 57 Cb 0.13 -0.01 -0.24 0.00 0.00 0.00 0.00 17.79 17.66 1rhx h ALA 57 CO -0.02 0.08 0.64 -2.13 0.00 0.00 0.00 179.25 177.82 1rhx n ARG 58 N -3.31 2.22 -4.05 0.00 0.00 0.63 -4.92 116.66 107.23 1rhx n ARG 58 Ca -0.01 -2.58 -0.36 0.00 -0.00 0.00 0.00 57.85 54.90 1rhx n ARG 58 Cb 0.24 -2.01 -0.02 0.00 0.00 0.00 0.00 32.46 30.67 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 -0.63 -0.54 3.41 5.14 0.00 -0.94 -4.98 105.19 106.65 1rhx n GLY 59 Ca 0.50 0.28 -0.21 0.00 0.00 0.00 0.00 46.02 46.59 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 -3.84 1.94 0.36 1.61 1.51 -1.02 -5.04 117.35 112.87 1rhx s TYR 60 Ca 0.26 -0.61 0.07 0.00 -1.01 0.00 0.00 57.07 55.78 1rhx s TYR 60 Cb -0.13 -1.02 -0.02 0.00 -0.11 0.00 0.00 41.96 40.68 1rhx s TYR 60 CO 0.95 0.37 0.35 0.45 -1.11 0.00 0.00 175.55 176.55 1rhx s SER 61 N -3.42 5.29 0.11 2.29 0.15 -1.26 -4.30 113.70 112.56 1rhx s SER 61 Ca 0.28 -0.54 -0.16 0.00 0.70 0.00 0.00 55.95 56.22 1rhx s SER 61 Cb 0.01 -0.86 -0.05 0.00 -1.71 0.00 0.00 66.02 63.42 1rhx s SER 61 CO 0.11 -0.47 1.55 -0.33 1.20 0.00 0.00 173.24 175.30 1rhx h GLU 62 N 1.12 0.59 0.00 5.44 5.08 -1.98 -2.29 114.58 122.53 1rhx h GLU 62 Ca -0.44 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 57.74 1rhx h GLU 62 Cb 1.26 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1rhx h GLU 62 CO 0.57 0.71 0.00 0.39 -1.00 0.00 0.00 179.01 179.68 1rhx n GLU 63 N -4.53 0.15 0.22 2.33 1.02 -1.26 -2.86 120.64 115.71 1rhx n GLU 63 Ca -0.02 0.13 0.09 0.00 -0.02 0.00 0.00 57.16 57.35 1rhx n GLU 63 Cb 0.26 -1.50 0.48 0.00 -0.02 0.00 0.00 31.44 30.66 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 0.00 0.00 -3.29 1.62 3.32 -1.82 -3.42 116.42 112.83 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 -0.07 0.00 0.22 0.00 0.00 39.33 39.74 1rhx h ASP 64 CO 0.00 0.24 0.42 -0.55 -1.72 0.00 0.00 179.24 177.63 1rhx s SER 65 N -6.24 6.98 -0.14 6.45 0.15 -1.13 -4.84 113.70 114.92 1rhx s SER 65 Ca -0.00 1.21 -0.00 0.00 0.70 0.00 0.00 55.95 57.86 1rhx s SER 65 Cb 0.11 -2.47 0.12 0.00 -1.71 0.00 0.00 66.02 62.07 1rhx s SER 65 CO 0.64 -0.42 1.80 2.29 1.20 0.00 0.00 173.24 178.76 1rhx n LYS 66 N 5.28 1.36 -3.83 5.44 2.85 -0.30 -4.80 118.16 124.17 1rhx n LYS 66 Ca 0.05 -0.73 -0.09 0.00 -1.05 0.00 0.00 58.31 56.49 1rhx n LYS 66 Cb 0.49 -1.29 -0.06 0.00 -0.65 0.00 0.00 35.03 33.52 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 -1.01 0.09 -0.13 0.58 -7.23 -1.26 -4.91 120.40 106.53 1rhx s VAL 67 Ca 0.14 -1.07 -0.29 0.00 -1.81 0.00 0.00 61.98 58.95 1rhx s VAL 67 Cb 0.11 -1.48 -0.03 0.00 0.56 0.00 0.00 36.38 35.54 1rhx s VAL 67 CO 0.00 -0.41 1.46 -2.16 -0.31 0.00 0.00 175.10 173.68 1rhx s PRO 68 N -3.88 4.16 -0.17 4.82 0.04 -1.26 -4.85 135.00 133.85 1rhx s PRO 68 Ca 0.09 1.86 -0.29 0.00 0.04 0.00 0.00 61.00 62.70 1rhx s PRO 68 Cb 0.03 -3.89 -0.00 0.00 0.04 0.00 0.00 34.50 30.68 1rhx s PRO 68 CO -0.07 -0.84 1.06 -0.51 0.04 0.00 0.00 177.00 176.68 1rhx s LEU 69 N 3.92 4.17 0.40 -3.56 1.43 -1.26 -1.79 118.68 121.98 1rhx s LEU 69 Ca 0.64 1.49 0.08 0.00 -1.03 0.00 0.00 54.13 55.30 1rhx s LEU 69 Cb -0.27 -3.55 -0.07 0.00 0.03 0.00 0.00 46.19 42.33 1rhx s LEU 69 CO 0.22 -0.60 0.01 0.27 0.23 0.00 0.00 176.35 176.48 1rhx s ILE 70 N 2.79 2.10 0.69 -0.59 -4.36 -0.07 -4.87 121.20 116.89 1rhx s ILE 70 Ca 0.47 -2.00 -0.07 0.00 -0.26 0.00 0.00 60.65 58.78 1rhx s ILE 70 Cb -0.17 -2.93 0.05 0.00 1.25 0.00 0.00 42.46 40.65 1rhx s ILE 70 CO 0.12 -0.04 1.02 0.42 0.24 0.00 0.00 174.94 176.69 1rhx s THR 71 N -2.67 2.67 0.27 8.37 -4.23 -1.26 -0.87 115.64 117.92 1rhx s THR 71 Ca 0.35 -0.11 -0.00 0.00 -1.18 0.00 0.00 61.69 60.75 1rhx s THR 71 Cb 0.08 -3.15 0.28 0.00 1.34 0.00 0.00 72.50 71.05 1rhx s THR 71 CO 0.18 -0.16 1.85 1.88 -0.54 0.00 0.00 174.62 177.83 1rhx h TYR 72 N -0.56 1.16 -0.06 3.99 -1.99 -1.96 -2.26 116.97 115.28 1rhx h TYR 72 Ca -0.45 0.03 -0.16 0.00 2.00 0.00 0.00 58.73 60.16 1rhx h TYR 72 Cb 1.30 -0.37 -0.01 0.00 2.00 0.00 0.00 36.73 39.64 1rhx h TYR 72 CO 0.38 0.51 -0.65 0.66 -0.00 0.00 0.00 178.16 179.06 1rhx h SER 73 N 1.06 0.30 0.17 3.88 4.64 -1.99 -0.52 113.55 121.10 1rhx h SER 73 Ca 0.47 -0.19 -0.05 0.00 -0.47 0.00 0.00 61.79 61.56 1rhx h SER 73 Cb 0.36 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.36 1rhx h SER 73 CO -0.23 0.87 -0.20 -0.33 -0.87 0.00 0.00 176.83 176.07 1rhx h GLU 74 N 0.19 0.05 -0.21 4.77 4.39 -1.87 -2.53 114.58 119.37 1rhx h GLU 74 Ca -0.01 -0.01 -0.19 0.00 0.34 0.00 0.00 59.36 59.49 1rhx h GLU 74 Cb 1.18 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 1rhx h GLU 74 CO 0.10 0.25 -0.61 0.35 -1.16 0.00 0.00 179.01 177.95 1rhx h PHE 75 N 0.05 1.02 -0.86 4.33 3.57 -0.74 -3.23 116.94 121.08 1rhx h PHE 75 Ca 0.01 -0.40 0.02 0.00 3.53 0.00 0.00 57.97 61.12 1rhx h PHE 75 Cb 0.38 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 38.90 1rhx h PHE 75 CO 0.00 1.22 0.57 0.82 -2.23 0.00 0.00 178.31 178.69 1rhx h ILE 76 N 0.53 1.19 -0.60 1.41 1.08 -0.73 -0.35 117.51 120.05 1rhx h ILE 76 Ca -0.01 -0.39 0.08 0.00 -0.39 0.00 0.00 64.86 64.15 1rhx h ILE 76 Cb 1.23 -0.04 -0.04 0.00 -3.07 0.00 0.00 36.82 34.90 1rhx h ILE 76 CO 0.13 0.21 0.40 -0.78 -0.69 0.00 0.00 178.15 177.42 1rhx h ASP 77 N 1.13 0.43 0.11 1.72 3.58 -1.50 0.12 116.42 122.02 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 -0.08 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 40.89 1rhx h ASP 77 CO -0.08 0.27 0.00 0.18 -2.88 0.00 0.00 179.24 176.73 1rhx n LEU 78 N -4.48 0.00 0.00 2.28 4.77 -0.15 -4.09 117.00 115.34 1rhx n LEU 78 Ca 0.09 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 1rhx n LEU 78 Cb 0.32 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1rhx n LEU 78 CO 0.34 -0.02 0.00 0.18 -1.33 0.00 0.00 177.39 176.56 1rhx n LEU 79 N -1.07 0.00 0.00 2.23 4.77 -0.04 -4.88 117.00 118.00 1rhx n LEU 79 Ca 0.17 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 1rhx n LEU 79 Cb 0.11 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1rhx n LEU 79 CO 0.15 0.00 0.00 -0.62 -1.33 0.00 0.00 177.39 175.59 1rhx n GLU 80 N -0.71 0.00 -0.66 3.23 -0.58 -0.78 -0.76 120.64 120.38 1rhx n GLU 80 Ca 0.00 0.00 0.08 0.00 -0.42 0.00 0.00 57.16 56.82 1rhx n GLU 80 Cb 0.00 0.00 0.34 0.00 -0.57 0.00 0.00 31.44 31.21 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 0.00 3.24 3.03 0.62 0.00 -1.26 -4.89 105.19 105.93 1rhx n GLY 81 Ca 0.00 -0.91 -0.30 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.47 2.27 -0.41 1.61 0.41 0.06 -5.06 118.70 115.11 1rhx s GLU 82 Ca 0.49 -0.56 0.10 0.00 -0.41 0.00 0.00 54.97 54.59 1rhx s GLU 82 Cb 0.36 -2.03 0.34 0.00 -1.78 0.00 0.00 34.13 31.02 1rhx s GLU 82 CO 0.16 -0.17 0.74 -0.85 -0.49 0.00 0.00 175.26 174.65 1rhx n GLU 83 N 4.55 1.32 -2.31 1.61 0.28 -1.26 -4.56 120.64 120.28 1rhx n GLU 83 Ca -0.18 -3.62 -0.01 0.00 -0.16 0.00 0.00 57.16 53.20 1rhx n GLU 83 Cb 0.50 -1.75 0.05 0.00 1.43 0.00 0.00 31.44 31.68 1rhx n GLU 83 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 1rhx n LYS 84 N 0.33 1.09 0.00 3.44 2.85 -1.26 -4.97 118.16 119.63 1rhx n LYS 84 Ca 0.26 -2.24 0.00 0.00 -1.05 0.00 0.00 58.31 55.28 1rhx n LYS 84 Cb 0.60 -0.45 0.00 0.00 -0.65 0.00 0.00 35.03 34.53 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 -0.61 0.00 -3.91 5.58 1.16 -1.26 -4.70 117.46 113.72 1rhx n PHE 85 Ca -0.05 0.00 -0.24 0.00 -1.87 0.00 0.00 57.45 55.29 1rhx n PHE 85 Cb 0.87 0.00 -0.00 0.00 -1.61 0.00 0.00 39.48 38.74 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 -1.06 -4.75 119.36 117.60 1rhx n ILE 86 Ca 0.00 -1.96 0.00 0.00 0.56 0.00 0.00 62.75 61.35 1rhx n ILE 86 Cb 0.00 -0.03 0.00 0.00 -0.75 0.00 0.00 39.64 38.86 1rhx n ILE 86 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72