#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 3.58 -0.73 3.17 0.00 -1.26 -5.05 121.76 121.47 1rhx s ALA 2 Ca 0.00 -0.68 -0.02 0.00 0.00 0.00 0.00 51.96 51.25 1rhx s ALA 2 Cb 0.00 -2.32 0.18 0.00 0.00 0.00 0.00 23.12 20.99 1rhx s ALA 2 CO 0.00 -0.06 0.57 -0.51 0.00 0.00 0.00 175.76 175.76 1rhx s LEU 3 N -4.25 5.34 -0.30 0.00 1.43 -1.26 -4.92 118.68 114.72 1rhx s LEU 3 Ca 0.43 -3.23 0.07 0.00 -1.03 0.00 0.00 54.13 50.38 1rhx s LEU 3 Cb -0.10 -1.87 0.46 0.00 0.03 0.00 0.00 46.19 44.71 1rhx s LEU 3 CO 0.37 -0.29 1.23 0.52 0.23 0.00 0.00 176.35 178.41 1rhx n VAL 4 N 2.99 2.55 -3.47 -1.59 0.31 -1.25 -3.93 118.33 113.93 1rhx n VAL 4 Ca 0.13 -4.07 0.01 0.00 -0.01 0.00 0.00 64.34 60.40 1rhx n VAL 4 Cb 0.37 -1.06 -0.05 0.00 -0.91 0.00 0.00 33.84 32.20 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 -0.48 -0.38 7.52 2.34 -1.14 -4.16 118.68 118.81 1rhx s LEU 5 Ca 0.50 0.69 0.10 0.00 0.06 0.00 0.00 54.13 55.49 1rhx s LEU 5 Cb 0.41 1.59 0.31 0.00 -0.56 0.00 0.00 46.19 47.95 1rhx s LEU 5 CO 0.03 -0.10 0.66 0.55 -1.06 0.00 0.00 176.35 176.43 1rhx n VAL 6 N 4.42 -0.36 -2.07 1.48 3.14 -1.26 -4.67 118.33 119.01 1rhx n VAL 6 Ca -0.12 -4.30 -0.08 0.00 -2.96 0.00 0.00 64.34 56.88 1rhx n VAL 6 Cb 0.55 -0.83 0.08 0.00 -1.06 0.00 0.00 33.84 32.58 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 0.70 2.27 -2.43 1.45 2.85 -1.26 -2.92 118.16 118.83 1rhx n LYS 7 Ca 0.23 -3.55 -0.01 0.00 -1.05 0.00 0.00 58.31 53.93 1rhx n LYS 7 Cb 0.61 -1.70 0.07 0.00 -0.65 0.00 0.00 35.03 33.36 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 -0.68 -0.43 0.00 5.58 4.01 -1.26 -4.08 117.16 120.30 1rhx n TYR 8 Ca 0.26 -1.61 0.00 0.00 -0.16 0.00 0.00 57.90 56.39 1rhx n TYR 8 Cb 0.88 0.63 0.00 0.00 -0.31 0.00 0.00 39.34 40.54 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 -0.83 0.68 3.28 2.72 0.00 -1.16 -4.59 105.19 105.29 1rhx n GLY 9 Ca -0.08 0.53 -0.44 0.00 0.00 0.00 0.00 46.02 46.04 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 4.43 -2.66 2.61 -2.24 -1.26 -4.24 114.28 110.92 1rhx n THR 10 Ca 0.00 -4.89 -0.01 0.00 -2.27 0.00 0.00 64.05 56.88 1rhx n THR 10 Cb 0.00 -2.44 0.07 0.00 -2.10 0.00 0.00 70.33 65.86 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 4.35 0.05 -3.66 3.42 2.03 -1.26 -5.13 116.55 116.35 1rhx n ASP 11 Ca 0.34 -2.10 -0.01 0.00 0.52 0.00 0.00 54.79 53.55 1rhx n ASP 11 Cb 0.40 0.08 -0.01 0.00 -0.72 0.00 0.00 41.12 40.87 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 -1.49 -0.07 0.77 -0.67 -3.43 -1.26 -4.84 115.29 104.30 1rhx s HIS 12 Ca 0.18 -0.15 -0.11 0.00 -0.80 0.00 0.00 55.06 54.17 1rhx s HIS 12 Cb 0.35 0.60 0.05 0.00 -1.43 0.00 0.00 32.58 32.15 1rhx s HIS 12 CO -0.08 -0.57 1.09 -1.25 -2.00 0.00 0.00 174.74 171.92 1rhx s PRO 13 N -2.75 2.31 0.00 -0.38 0.04 -1.26 -4.28 135.00 128.68 1rhx s PRO 13 Ca 0.15 0.75 0.00 0.00 0.04 0.00 0.00 61.00 61.93 1rhx s PRO 13 Cb 0.01 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.62 1rhx s PRO 13 CO -0.00 -1.49 0.00 0.28 0.04 0.00 0.00 177.00 175.83 1rhx n VAL 14 N -3.36 0.00 -0.03 -0.36 0.31 -1.26 -4.76 118.33 108.87 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 0.55 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.48 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 2.39 0.17 5.55 -0.00 -1.26 -1.09 120.64 126.40 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 -0.20 0.00 0.00 -0.00 0.00 0.00 31.44 31.24 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 0.00 0.00 0.23 3.44 3.00 -1.26 -4.44 118.16 119.12 1rhx n LYS 16 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 58.31 58.43 1rhx n LYS 16 Cb 0.00 0.00 0.71 0.00 0.00 0.00 0.00 35.03 35.74 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 -1.61 3.14 -0.00 -1.91 0.26 115.31 115.20 1rhx h LEU 17 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 57.88 57.96 1rhx h LEU 17 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 40.63 1rhx h LEU 17 CO 0.00 0.00 0.38 0.07 -0.00 0.00 0.00 178.44 178.89 1rhx h LYS 18 N 0.00 0.45 -0.07 1.13 -0.00 -1.84 -1.32 116.57 114.92 1rhx h LYS 18 Ca 0.04 -0.03 -0.18 0.00 -0.00 0.00 0.00 60.65 60.48 1rhx h LYS 18 Cb 0.18 -0.10 -0.01 0.00 -0.00 0.00 0.00 32.23 32.31 1rhx h LYS 18 CO -0.00 0.30 -0.74 0.97 -0.00 0.00 0.00 179.45 179.97 1rhx h ILE 19 N 0.46 1.39 -0.08 0.07 2.10 -1.24 0.47 117.51 120.69 1rhx h ILE 19 Ca 0.25 -2.18 -0.16 0.00 1.08 0.00 0.00 64.86 63.86 1rhx h ILE 19 Cb 0.39 2.15 -0.01 0.00 -1.09 0.00 0.00 36.82 38.26 1rhx h ILE 19 CO -0.07 0.65 -0.63 0.03 -1.08 0.00 0.00 178.15 177.05 1rhx h ARG 20 N 0.26 0.30 -1.02 2.19 -0.00 -1.29 -3.42 114.38 111.40 1rhx h ARG 20 Ca -0.03 -0.22 0.03 0.00 -0.50 0.00 0.00 59.98 59.26 1rhx h ARG 20 Cb 1.32 0.04 -0.21 0.00 0.00 0.00 0.00 29.97 31.11 1rhx h ARG 20 CO 0.13 0.84 -0.37 -1.12 0.00 0.00 0.00 179.97 179.44 1rhx s SER 21 N -6.91 -1.54 -0.06 7.04 0.01 -0.59 -5.14 113.70 106.51 1rhx s SER 21 Ca -0.05 0.28 -0.31 0.00 1.31 0.00 0.00 55.95 57.18 1rhx s SER 21 Cb 0.12 2.03 0.12 0.00 0.21 0.00 0.00 66.02 68.50 1rhx s SER 21 CO 0.81 -0.30 1.26 0.00 0.41 0.00 0.00 173.24 175.43 1rhx s ALA 22 N 2.83 -2.19 0.21 1.44 0.00 0.13 -4.32 121.76 119.86 1rhx s ALA 22 Ca 0.12 0.90 0.02 0.00 0.00 0.00 0.00 51.96 53.01 1rhx s ALA 22 Cb -0.11 0.25 -0.01 0.00 0.00 0.00 0.00 23.12 23.25 1rhx s ALA 22 CO -0.25 -0.94 0.09 1.17 0.00 0.00 0.00 175.76 175.82 1rhx n LYS 23 N -0.39 0.66 -0.16 0.00 3.00 -1.26 -4.90 118.16 115.10 1rhx n LYS 23 Ca -0.06 -1.83 -0.05 0.00 -0.00 0.00 0.00 58.31 56.37 1rhx n LYS 23 Cb 0.62 1.07 0.12 0.00 0.00 0.00 0.00 35.03 36.84 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 1.39 1.06 -0.06 3.14 0.00 -1.97 -2.89 119.26 119.92 1rhx h ALA 24 Ca -0.16 -0.25 -0.68 0.00 0.00 0.00 0.00 54.91 53.81 1rhx h ALA 24 Cb 0.64 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.22 1rhx h ALA 24 CO 0.25 0.60 3.69 0.39 0.00 0.00 0.00 179.25 184.19 1rhx n GLU 25 N -4.23 3.72 -4.38 0.00 1.02 -1.26 -3.95 120.64 111.56 1rhx n GLU 25 Ca 0.04 -2.34 -0.19 0.00 -0.02 0.00 0.00 57.16 54.65 1rhx n GLU 25 Cb 0.28 -2.82 -0.10 0.00 -0.02 0.00 0.00 31.44 28.78 1rhx n GLU 25 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1rhx s ASP 26 N 2.09 2.09 -0.07 1.62 -1.08 -1.09 -5.09 116.67 115.13 1rhx s ASP 26 Ca 0.67 -1.28 -0.03 0.00 -0.52 0.00 0.00 52.55 51.39 1rhx s ASP 26 Cb 0.18 -0.03 0.04 0.00 -1.46 0.00 0.00 42.92 41.65 1rhx s ASP 26 CO -0.06 -0.53 0.14 -0.54 0.52 0.00 0.00 175.17 174.70 1rhx s LYS 27 N -3.87 0.04 0.00 4.34 3.01 -1.26 -3.00 119.74 119.00 1rhx s LYS 27 Ca 0.32 0.48 -0.06 0.00 -1.01 0.00 0.00 55.97 55.70 1rhx s LYS 27 Cb 0.07 -0.26 -0.00 0.00 -1.01 0.00 0.00 37.83 36.62 1rhx s LYS 27 CO 0.12 -0.27 0.12 0.42 0.51 0.00 0.00 175.35 176.25 1rhx s ILE 28 N 1.93 0.08 0.01 2.17 1.01 -1.04 -4.87 121.20 120.51 1rhx s ILE 28 Ca -0.01 -0.68 -0.03 0.00 0.00 0.00 0.00 60.65 59.93 1rhx s ILE 28 Cb -0.12 -0.40 -0.01 0.00 0.01 0.00 0.00 42.46 41.94 1rhx s ILE 28 CO -0.05 -0.38 0.04 -0.69 0.00 0.00 0.00 174.94 173.86 1rhx s VAL 29 N -1.32 0.10 -0.03 2.92 1.01 -1.26 -2.36 120.40 119.46 1rhx s VAL 29 Ca -0.14 -0.82 0.02 0.00 0.00 0.00 0.00 61.98 61.04 1rhx s VAL 29 Cb -0.08 -0.34 -0.03 0.00 0.00 0.00 0.00 36.38 35.93 1rhx s VAL 29 CO 0.01 -0.45 -0.05 -0.76 0.00 0.00 0.00 175.10 173.85 1rhx s LEU 30 N -1.43 3.26 0.00 3.92 1.43 -0.21 -4.82 118.68 120.83 1rhx s LEU 30 Ca -0.15 -0.06 0.03 0.00 -1.03 0.00 0.00 54.13 52.91 1rhx s LEU 30 Cb -0.09 -1.81 -0.01 0.00 0.03 0.00 0.00 46.19 44.31 1rhx s LEU 30 CO 0.00 0.32 0.09 2.30 0.23 0.00 0.00 176.35 179.29 1rhx n ILE 31 N 1.79 0.00 0.00 -0.59 -5.35 -1.15 -1.20 119.36 112.86 1rhx n ILE 31 Ca -0.16 -1.62 0.00 0.00 -0.27 0.00 0.00 62.75 60.70 1rhx n ILE 31 Cb 0.53 0.57 0.00 0.00 -1.74 0.00 0.00 39.64 38.99 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 -0.64 0.00 0.08 6.28 1.13 -1.26 0.21 117.38 123.17 1rhx n GLN 32 Ca -0.05 0.00 0.11 0.00 -1.94 0.00 0.00 57.00 55.13 1rhx n GLN 32 Cb 0.42 0.00 -0.03 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 1.60 0.65 -0.38 1.08 3.02 -1.26 -3.96 115.26 116.02 1rhx n ASN 33 Ca 0.00 0.23 0.38 0.00 -0.03 0.00 0.00 54.58 55.16 1rhx n ASN 33 Cb 0.00 0.79 0.75 0.00 -0.61 0.00 0.00 39.78 40.71 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 4.03 0.00 0.90 7.41 0.00 -0.13 -0.54 103.07 114.74 1rhx h GLY 34 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.35 1rhx h GLY 34 CO 0.00 0.00 0.53 -0.39 0.00 0.00 0.00 176.54 176.68 1rhx h VAL 35 N 0.00 0.03 -0.87 4.60 -1.51 -1.50 -1.16 116.25 115.84 1rhx h VAL 35 Ca 0.63 0.00 0.22 0.00 -1.23 0.00 0.00 66.70 66.32 1rhx h VAL 35 Cb 2.62 0.48 -0.05 0.00 -2.13 0.00 0.00 31.29 32.21 1rhx h VAL 35 CO -0.01 0.00 0.60 -0.26 -1.23 0.00 0.00 177.57 176.67 1rhx h PHE 36 N 0.00 0.25 0.00 5.19 -1.00 -1.41 -1.09 116.94 118.88 1rhx h PHE 36 Ca 0.03 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.82 1rhx h PHE 36 Cb 1.09 -0.08 0.00 0.00 3.61 0.00 0.00 35.95 40.58 1rhx h PHE 36 CO 0.00 0.06 0.00 -1.49 -1.61 0.00 0.00 178.31 175.27 1rhx h TRP 37 N 0.19 0.00 -0.18 -0.55 4.06 -1.47 -2.75 115.95 115.25 1rhx h TRP 37 Ca 0.43 0.00 -0.12 0.00 2.06 0.00 0.00 58.89 61.26 1rhx h TRP 37 Cb 1.40 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 29.51 1rhx h TRP 37 CO -0.00 0.00 0.15 0.00 -3.56 0.00 0.00 178.44 175.03 1rhx n ALA 38 N -2.07 4.37 -2.65 1.49 0.00 -0.41 -3.67 120.51 117.56 1rhx n ALA 38 Ca -0.01 -0.61 -0.03 0.00 0.00 0.00 0.00 53.44 52.78 1rhx n ALA 38 Cb 0.17 -1.14 -0.02 0.00 0.00 0.00 0.00 19.45 18.46 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 1.04 -1.07 0.00 0.00 -0.00 -1.04 -1.10 117.00 114.83 1rhx n LEU 39 Ca 0.11 -1.70 0.00 0.00 -0.00 0.00 0.00 56.01 54.42 1rhx n LEU 39 Cb 0.54 0.89 0.00 0.00 -0.00 0.00 0.00 43.42 44.85 1rhx n LEU 39 CO 0.14 1.10 0.00 -0.62 -0.00 0.00 0.00 177.39 178.01 1rhx n GLU 40 N -0.50 0.92 -1.85 1.47 -0.58 -1.24 -5.07 120.64 113.79 1rhx n GLU 40 Ca -0.28 0.00 -0.25 0.00 -0.42 0.00 0.00 57.16 56.21 1rhx n GLU 40 Cb 0.63 0.00 0.04 0.00 -0.57 0.00 0.00 31.44 31.54 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 3.39 -2.16 3.49 1.02 -1.26 -4.97 120.64 120.15 1rhx n GLU 41 Ca 0.00 -3.99 -0.00 0.00 -0.02 0.00 0.00 57.16 53.14 1rhx n GLU 41 Cb 0.00 -2.26 0.01 0.00 -0.02 0.00 0.00 31.44 29.17 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 -0.76 0.00 0.00 -4.62 4.77 -1.26 -5.13 117.00 110.00 1rhx n LEU 42 Ca 0.46 -0.32 -0.04 0.00 -0.03 0.00 0.00 56.01 56.08 1rhx n LEU 42 Cb 0.92 0.68 -0.00 0.00 -2.33 0.00 0.00 43.42 42.68 1rhx n LEU 42 CO 0.45 -0.11 0.08 -1.84 -1.33 0.00 0.00 177.39 174.64 1rhx n GLU 43 N -0.21 0.24 -4.30 3.23 0.28 -1.26 -4.85 120.64 113.78 1rhx n GLU 43 Ca -0.00 -0.79 -0.22 0.00 -0.16 0.00 0.00 57.16 55.99 1rhx n GLU 43 Cb 0.15 0.81 -0.12 0.00 1.43 0.00 0.00 31.44 33.72 1rhx n GLU 43 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 177.13 176.89 1rhx s THR 44 N -2.60 1.73 -1.72 3.84 -1.32 -0.25 -4.10 115.64 111.21 1rhx s THR 44 Ca 0.08 -1.74 0.24 0.00 -1.21 0.00 0.00 61.69 59.06 1rhx s THR 44 Cb -0.01 -1.69 0.56 0.00 -1.51 0.00 0.00 72.50 69.86 1rhx s THR 44 CO 0.05 -0.22 1.82 -0.81 -2.21 0.00 0.00 174.62 173.25 1rhx n PRO 45 N 0.65 0.56 -1.72 7.08 -0.04 -1.26 -4.86 135.00 135.40 1rhx n PRO 45 Ca -0.16 0.03 -0.30 0.00 -0.04 0.00 0.00 63.50 63.03 1rhx n PRO 45 Cb 0.56 -1.50 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 -2.28 1.91 0.56 0.55 0.00 -1.24 -4.35 121.76 116.91 1rhx s ALA 46 Ca 0.30 -1.04 -0.15 0.00 0.00 0.00 0.00 51.96 51.07 1rhx s ALA 46 Cb 0.17 -2.84 -0.06 0.00 0.00 0.00 0.00 23.12 20.39 1rhx s ALA 46 CO 0.32 -2.59 1.01 -1.59 0.00 0.00 0.00 175.76 172.91 1rhx s LYS 47 N -5.71 3.73 -0.12 0.00 -2.85 -1.16 -4.99 119.74 108.64 1rhx s LYS 47 Ca 0.71 0.94 -0.05 0.00 -1.00 0.00 0.00 55.97 56.58 1rhx s LYS 47 Cb -0.07 -2.10 0.06 0.00 -2.06 0.00 0.00 37.83 33.66 1rhx s LYS 47 CO 0.53 -0.45 0.24 0.08 0.10 0.00 0.00 175.35 175.85 1rhx s VAL 48 N -2.75 -0.33 0.15 1.79 1.01 -1.24 -2.48 120.40 116.54 1rhx s VAL 48 Ca 0.59 0.28 0.02 0.00 0.00 0.00 0.00 61.98 62.86 1rhx s VAL 48 Cb -0.11 -0.40 -0.04 0.00 0.00 0.00 0.00 36.38 35.82 1rhx s VAL 48 CO 0.38 0.12 -0.02 -0.31 0.00 0.00 0.00 175.10 175.27 1rhx s TYR 49 N 2.23 1.11 0.06 5.22 2.02 -0.99 -4.23 117.35 122.77 1rhx s TYR 49 Ca 0.00 -0.99 0.04 0.00 -0.37 0.00 0.00 57.07 55.74 1rhx s TYR 49 Cb -0.12 -0.63 -0.03 0.00 -0.40 0.00 0.00 41.96 40.78 1rhx s TYR 49 CO -0.08 -0.20 -0.11 0.00 -1.57 0.00 0.00 175.55 173.59 1rhx s ALA 50 N -3.66 0.87 -0.36 3.71 0.00 -0.54 -1.04 121.76 120.74 1rhx s ALA 50 Ca 0.21 -0.88 -0.29 0.00 0.00 0.00 0.00 51.96 51.00 1rhx s ALA 50 Cb 0.06 -0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.17 1rhx s ALA 50 CO 0.01 0.07 1.14 0.42 0.00 0.00 0.00 175.76 177.41 1rhx s ILE 51 N -1.32 4.34 0.10 0.00 -1.09 -0.34 -0.75 121.20 122.14 1rhx s ILE 51 Ca -0.06 1.50 -0.29 0.00 -2.23 0.00 0.00 60.65 59.57 1rhx s ILE 51 Cb -0.10 -4.41 -0.12 0.00 -1.58 0.00 0.00 42.46 36.25 1rhx s ILE 51 CO 0.01 -0.62 1.63 0.50 -1.23 0.00 0.00 174.94 175.23 1rhx h LYS 52 N 8.68 -0.57 -0.53 2.79 3.64 -1.19 -0.41 116.57 128.98 1rhx h LYS 52 Ca -0.22 0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.23 1rhx h LYS 52 Cb 1.07 0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.98 1rhx h LYS 52 CO 1.06 -0.38 0.30 -0.44 -2.27 0.00 0.00 179.45 177.72 1rhx h ASP 53 N -0.59 0.46 -0.64 4.20 5.19 -1.92 0.85 116.42 123.98 1rhx h ASP 53 Ca -0.01 0.02 -0.07 0.00 -0.62 0.00 0.00 57.03 56.35 1rhx h ASP 53 Cb 0.55 -0.08 -0.03 0.00 0.18 0.00 0.00 39.33 39.96 1rhx h ASP 53 CO -0.06 0.32 0.13 0.44 -3.12 0.00 0.00 179.24 176.95 1rhx h ASP 54 N 0.58 0.99 -0.27 6.45 3.32 -1.90 0.87 116.42 126.46 1rhx h ASP 54 Ca 0.22 -0.25 0.01 0.00 0.02 0.00 0.00 57.03 57.04 1rhx h ASP 54 Cb 0.08 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.35 1rhx h ASP 54 CO -0.13 0.98 0.16 0.15 -1.72 0.00 0.00 179.24 178.68 1rhx h PHE 55 N 0.95 0.30 -0.75 4.55 3.57 -0.08 -1.29 116.94 124.19 1rhx h PHE 55 Ca 0.20 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.69 1rhx h PHE 55 Cb 0.39 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.00 1rhx h PHE 55 CO 0.03 0.18 0.42 -0.07 -2.23 0.00 0.00 178.31 176.64 1rhx h LEU 56 N 0.33 0.93 0.00 0.59 3.38 -0.74 0.69 115.31 120.50 1rhx h LEU 56 Ca 0.11 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1rhx h LEU 56 Cb -0.01 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.51 1rhx h LEU 56 CO -0.05 0.75 0.00 0.00 0.09 0.00 0.00 178.44 179.23 1rhx n ALA 57 N -2.35 2.01 -1.94 1.53 0.00 0.29 -2.55 120.51 117.49 1rhx n ALA 57 Ca 0.07 -0.09 -0.12 0.00 0.00 0.00 0.00 53.44 53.30 1rhx n ALA 57 Cb 0.08 -1.23 0.09 0.00 0.00 0.00 0.00 19.45 18.39 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 -1.04 2.71 -3.43 0.00 0.00 0.23 -5.01 116.66 110.13 1rhx n ARG 58 Ca 0.10 -3.77 -0.18 0.00 -0.00 0.00 0.00 57.85 54.00 1rhx n ARG 58 Cb 0.06 -1.95 0.03 0.00 0.00 0.00 0.00 32.46 30.60 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 -0.81 -1.15 3.07 5.14 0.00 -1.06 -5.02 105.19 105.37 1rhx n GLY 59 Ca 0.32 0.51 -0.08 0.00 0.00 0.00 0.00 46.02 46.77 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 -3.24 0.37 0.39 1.61 2.02 -1.22 -5.05 117.35 112.24 1rhx s TYR 60 Ca 0.26 -0.79 0.06 0.00 -0.37 0.00 0.00 57.07 56.24 1rhx s TYR 60 Cb -0.07 -0.27 0.00 0.00 -0.40 0.00 0.00 41.96 41.22 1rhx s TYR 60 CO 0.81 -0.33 0.55 -1.12 -1.57 0.00 0.00 175.55 173.89 1rhx s SER 61 N -2.36 5.78 0.09 2.29 0.01 -1.26 -4.42 113.70 113.84 1rhx s SER 61 Ca -0.02 -0.25 -0.21 0.00 1.31 0.00 0.00 55.95 56.78 1rhx s SER 61 Cb 0.01 -0.97 -0.11 0.00 0.21 0.00 0.00 66.02 65.16 1rhx s SER 61 CO -0.06 -0.64 1.70 -0.33 0.41 0.00 0.00 173.24 174.31 1rhx h GLU 62 N 0.69 0.16 0.00 12.44 5.08 -1.99 -2.08 114.58 128.88 1rhx h GLU 62 Ca -0.43 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 1rhx h GLU 62 Cb 1.27 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1rhx h GLU 62 CO 0.50 0.18 0.00 -0.85 -1.00 0.00 0.00 179.01 177.83 1rhx n GLU 63 N -4.97 0.47 0.25 2.33 0.28 -1.26 -1.66 120.64 116.08 1rhx n GLU 63 Ca -0.05 0.05 0.13 0.00 -0.16 0.00 0.00 57.16 57.13 1rhx n GLU 63 Cb 0.06 -1.50 0.53 0.00 1.43 0.00 0.00 31.44 31.96 1rhx n GLU 63 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 1rhx h ASP 64 N 0.00 0.00 -3.59 -1.84 3.32 -1.78 -3.45 116.42 109.08 1rhx h ASP 64 Ca 0.00 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.54 1rhx h ASP 64 Cb 0.10 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 1rhx h ASP 64 CO 0.00 0.11 0.01 -0.55 -1.72 0.00 0.00 179.24 177.09 1rhx s SER 65 N -5.98 6.67 -0.38 6.45 0.15 -0.67 -4.89 113.70 115.06 1rhx s SER 65 Ca 0.01 1.10 0.05 0.00 0.70 0.00 0.00 55.95 57.82 1rhx s SER 65 Cb 0.09 -2.30 0.47 0.00 -1.71 0.00 0.00 66.02 62.57 1rhx s SER 65 CO 0.60 -0.18 1.47 2.29 1.20 0.00 0.00 173.24 178.62 1rhx n LYS 66 N -0.42 2.88 -3.77 5.44 2.85 -0.26 -4.99 118.16 119.89 1rhx n LYS 66 Ca 0.02 -3.68 -0.10 0.00 -1.05 0.00 0.00 58.31 53.49 1rhx n LYS 66 Cb 0.53 -2.15 -0.07 0.00 -0.65 0.00 0.00 35.03 32.69 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 -4.27 0.10 -0.01 0.58 -7.23 -1.26 -4.93 120.40 103.37 1rhx s VAL 67 Ca 0.53 -0.83 -0.30 0.00 -1.81 0.00 0.00 61.98 59.57 1rhx s VAL 67 Cb 0.43 -1.10 -0.07 0.00 0.56 0.00 0.00 36.38 36.21 1rhx s VAL 67 CO 0.01 -0.46 1.74 -2.16 -0.31 0.00 0.00 175.10 173.93 1rhx s PRO 68 N -3.17 4.17 -0.47 4.82 0.04 -1.26 -4.75 135.00 134.38 1rhx s PRO 68 Ca -0.01 2.33 -0.23 0.00 0.04 0.00 0.00 61.00 63.14 1rhx s PRO 68 Cb 0.01 -3.97 0.03 0.00 0.04 0.00 0.00 34.50 30.61 1rhx s PRO 68 CO -0.07 -0.86 0.78 -0.51 0.04 0.00 0.00 177.00 176.38 1rhx s LEU 69 N 3.93 4.32 0.36 -3.56 1.43 -1.26 -1.46 118.68 122.44 1rhx s LEU 69 Ca 0.78 -0.26 0.08 0.00 -1.03 0.00 0.00 54.13 53.70 1rhx s LEU 69 Cb -0.37 -2.86 -0.05 0.00 0.03 0.00 0.00 46.19 42.94 1rhx s LEU 69 CO 0.33 -0.96 0.10 0.27 0.23 0.00 0.00 176.35 176.33 1rhx s ILE 70 N 3.29 2.68 0.82 -0.59 -4.36 0.07 -4.76 121.20 118.35 1rhx s ILE 70 Ca 0.28 -1.80 -0.12 0.00 -0.26 0.00 0.00 60.65 58.75 1rhx s ILE 70 Cb -0.13 -2.92 0.10 0.00 1.25 0.00 0.00 42.46 40.76 1rhx s ILE 70 CO 0.21 -0.14 1.18 0.42 0.24 0.00 0.00 174.94 176.85 1rhx s THR 71 N -2.51 2.04 0.23 8.37 -4.23 -1.26 -0.65 115.64 117.62 1rhx s THR 71 Ca 0.37 -0.05 -0.06 0.00 -1.18 0.00 0.00 61.69 60.78 1rhx s THR 71 Cb 0.00 -2.99 0.18 0.00 1.34 0.00 0.00 72.50 71.03 1rhx s THR 71 CO 0.21 0.00 1.80 1.88 -0.54 0.00 0.00 174.62 177.97 1rhx h TYR 72 N -1.10 0.74 -0.30 3.99 0.05 -1.97 -0.99 116.97 117.39 1rhx h TYR 72 Ca -0.45 0.03 -0.13 0.00 0.05 0.00 0.00 58.73 58.22 1rhx h TYR 72 Cb 1.31 -0.22 -0.01 0.00 1.01 0.00 0.00 36.73 38.82 1rhx h TYR 72 CO 0.03 0.30 -0.35 0.66 -1.05 0.00 0.00 178.16 177.74 1rhx h SER 73 N 0.70 0.70 -0.51 3.88 4.64 -2.00 -1.15 113.55 119.81 1rhx h SER 73 Ca 0.36 -0.30 -0.02 0.00 -0.47 0.00 0.00 61.79 61.37 1rhx h SER 73 Cb 0.33 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.20 1rhx h SER 73 CO -0.24 0.99 0.26 -0.33 -0.87 0.00 0.00 176.83 176.64 1rhx h GLU 74 N 0.56 0.73 -0.99 4.77 5.08 -1.88 -2.14 114.58 120.70 1rhx h GLU 74 Ca 0.06 -0.10 0.14 0.00 -1.00 0.00 0.00 59.36 58.45 1rhx h GLU 74 Cb 0.87 -0.13 -0.09 0.00 0.50 0.00 0.00 28.75 29.90 1rhx h GLU 74 CO 0.08 0.59 0.62 0.35 -1.00 0.00 0.00 179.01 179.65 1rhx h PHE 75 N 0.68 1.09 0.00 4.33 3.57 -0.53 -1.69 116.94 124.40 1rhx h PHE 75 Ca 0.18 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.70 1rhx h PHE 75 Cb 0.09 -0.34 -0.00 0.00 2.79 0.00 0.00 35.95 38.49 1rhx h PHE 75 CO -0.01 0.40 -0.02 0.82 -2.23 0.00 0.00 178.31 177.27 1rhx h ILE 76 N 0.92 0.97 -0.09 1.41 1.08 -0.55 0.29 117.51 121.54 1rhx h ILE 76 Ca 0.51 -0.06 0.03 0.00 -0.39 0.00 0.00 64.86 64.94 1rhx h ILE 76 Cb 0.59 1.03 -0.00 0.00 -3.07 0.00 0.00 36.82 35.37 1rhx h ILE 76 CO -0.28 0.02 0.11 -0.78 -0.69 0.00 0.00 178.15 176.53 1rhx h ASP 77 N 0.00 0.00 1.05 1.72 3.58 -1.19 -1.20 116.42 120.37 1rhx h ASP 77 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1rhx h ASP 77 Cb 0.03 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.08 1rhx h ASP 77 CO 0.00 0.00 -0.14 0.18 -2.88 0.00 0.00 179.24 176.41 1rhx n LEU 78 N -3.76 0.37 -0.76 2.28 7.99 0.09 -3.58 117.00 119.63 1rhx n LEU 78 Ca -0.01 0.42 0.07 0.00 -0.01 0.00 0.00 56.01 56.49 1rhx n LEU 78 Cb 0.21 -0.38 0.15 0.00 -0.11 0.00 0.00 43.42 43.29 1rhx n LEU 78 CO 0.27 -0.04 0.61 0.18 -1.51 0.00 0.00 177.39 176.89 1rhx n LEU 79 N -1.78 2.88 -4.55 2.23 7.99 -0.46 -4.80 117.00 118.52 1rhx n LEU 79 Ca 0.06 -1.65 -0.35 0.00 -0.01 0.00 0.00 56.01 54.06 1rhx n LEU 79 Cb 0.38 -0.20 -0.03 0.00 -0.11 0.00 0.00 43.42 43.45 1rhx n LEU 79 CO 0.30 0.67 1.69 -1.61 -1.51 0.00 0.00 177.39 176.92 1rhx s GLU 80 N -1.08 2.40 0.00 3.23 2.02 -1.19 -1.30 118.70 122.78 1rhx s GLU 80 Ca 0.26 0.75 0.00 0.00 0.02 0.00 0.00 54.97 56.00 1rhx s GLU 80 Cb 0.15 -4.54 0.00 0.00 0.10 0.00 0.00 34.13 29.84 1rhx s GLU 80 CO 0.20 -3.06 0.00 0.41 0.02 0.00 0.00 175.26 172.83 1rhx n GLY 81 N 5.97 0.40 3.47 -1.39 0.00 -1.26 -5.01 105.19 107.37 1rhx n GLY 81 Ca 0.29 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.63 2.11 -0.44 1.61 0.41 -0.42 -5.06 118.70 116.28 1rhx s GLU 82 Ca 0.00 -0.97 0.06 0.00 -0.41 0.00 0.00 54.97 53.65 1rhx s GLU 82 Cb 0.00 -2.22 0.32 0.00 -1.78 0.00 0.00 34.13 30.46 1rhx s GLU 82 CO 0.00 0.54 1.17 -0.85 -0.49 0.00 0.00 175.26 175.63 1rhx n GLU 83 N 1.50 0.90 -2.50 1.61 0.28 -1.26 -4.62 120.64 116.55 1rhx n GLU 83 Ca -0.16 -1.74 0.00 0.00 -0.16 0.00 0.00 57.16 55.10 1rhx n GLU 83 Cb 0.52 -0.85 0.05 0.00 1.43 0.00 0.00 31.44 32.59 1rhx n GLU 83 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1rhx n LYS 84 N 0.33 1.30 -2.66 3.44 4.01 -1.26 -4.92 118.16 118.39 1rhx n LYS 84 Ca 0.04 -2.89 -0.03 0.00 -0.51 0.00 0.00 58.31 54.91 1rhx n LYS 84 Cb 0.71 -1.01 -0.01 0.00 -0.51 0.00 0.00 35.03 34.21 1rhx n LYS 84 CO 0.00 0.00 0.00 1.97 -1.11 0.00 0.00 177.40 178.26 1rhx n PHE 85 N -0.47 -0.33 -2.22 2.13 1.16 -1.26 -4.72 117.46 111.75 1rhx n PHE 85 Ca 0.03 -0.69 -0.21 0.00 -1.87 0.00 0.00 57.45 54.71 1rhx n PHE 85 Cb 0.87 1.17 0.13 0.00 -1.61 0.00 0.00 39.48 40.04 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 -0.41 0.00 0.00 1.97 2.08 -1.25 -4.73 119.36 117.01 1rhx n ILE 86 Ca -0.26 -1.10 0.00 0.00 0.56 0.00 0.00 62.75 61.95 1rhx n ILE 86 Cb 0.65 -1.23 0.00 0.00 -0.75 0.00 0.00 39.64 38.31 1rhx n ILE 86 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72