#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 1.15 -0.80 3.04 0.00 -1.26 -5.09 121.76 118.80 1rhx s ALA 2 Ca 0.00 -0.93 0.02 0.00 0.00 0.00 0.00 51.96 51.05 1rhx s ALA 2 Cb 0.00 -0.12 0.21 0.00 0.00 0.00 0.00 23.12 23.21 1rhx s ALA 2 CO 0.00 0.18 0.72 1.28 0.00 0.00 0.00 175.76 177.94 1rhx n LEU 3 N 1.52 3.85 -2.89 0.00 4.77 -1.26 -4.90 117.00 118.09 1rhx n LEU 3 Ca -0.20 -5.23 -0.34 0.00 -0.03 0.00 0.00 56.01 50.22 1rhx n LEU 3 Cb 0.54 -0.91 0.01 0.00 -2.33 0.00 0.00 43.42 40.73 1rhx n LEU 3 CO 0.22 1.73 0.86 0.52 -1.33 0.00 0.00 177.39 179.39 1rhx n VAL 4 N 1.85 3.52 -3.63 4.08 0.31 -1.25 -2.20 118.33 121.02 1rhx n VAL 4 Ca 0.23 -4.99 -0.08 0.00 -0.01 0.00 0.00 64.34 59.49 1rhx n VAL 4 Cb 0.37 -1.33 -0.06 0.00 -0.91 0.00 0.00 33.84 31.91 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 -3.85 -0.35 -0.34 7.52 2.34 0.15 -4.35 118.68 119.79 1rhx s LEU 5 Ca 0.48 0.62 0.15 0.00 0.06 0.00 0.00 54.13 55.44 1rhx s LEU 5 Cb 0.36 1.72 0.44 0.00 -0.56 0.00 0.00 46.19 48.15 1rhx s LEU 5 CO -0.25 -0.17 1.22 0.55 -1.06 0.00 0.00 176.35 176.64 1rhx n VAL 6 N 1.73 0.54 -1.82 1.48 3.14 -1.26 -4.64 118.33 117.50 1rhx n VAL 6 Ca -0.11 -2.16 -0.11 0.00 -2.96 0.00 0.00 64.34 59.00 1rhx n VAL 6 Cb 0.57 0.95 0.11 0.00 -1.06 0.00 0.00 33.84 34.40 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 -0.59 2.69 -2.33 1.45 2.85 -1.26 -2.73 118.16 118.23 1rhx n LYS 7 Ca -0.00 -3.77 -0.00 0.00 -1.05 0.00 0.00 58.31 53.49 1rhx n LYS 7 Cb 0.84 -1.98 0.05 0.00 -0.65 0.00 0.00 35.03 33.28 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 -0.90 0.20 0.00 5.58 4.19 -1.26 -4.00 117.16 120.97 1rhx n TYR 8 Ca 0.33 -1.53 0.00 0.00 3.31 0.00 0.00 57.90 60.01 1rhx n TYR 8 Cb 0.85 0.21 0.00 0.00 0.49 0.00 0.00 39.34 40.89 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 -0.48 1.35 3.12 2.98 0.00 -1.20 -4.29 105.19 106.67 1rhx n GLY 9 Ca -0.01 0.58 -0.43 0.00 0.00 0.00 0.00 46.02 46.16 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 4.05 -2.67 2.61 -2.24 -1.26 -4.20 114.28 110.57 1rhx n THR 10 Ca 0.00 -4.13 -0.02 0.00 -2.27 0.00 0.00 64.05 57.64 1rhx n THR 10 Cb 0.00 -2.44 0.09 0.00 -2.10 0.00 0.00 70.33 65.88 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 5.64 -0.53 -3.82 3.42 2.03 -1.26 -5.13 116.55 116.90 1rhx n ASP 11 Ca 0.43 -2.15 -0.06 0.00 0.52 0.00 0.00 54.79 53.54 1rhx n ASP 11 Cb 0.40 0.31 -0.02 0.00 -0.72 0.00 0.00 41.12 41.10 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 -0.99 -0.17 0.67 -0.67 -3.43 -1.26 -4.86 115.29 104.58 1rhx s HIS 12 Ca 0.14 -0.23 -0.11 0.00 -0.80 0.00 0.00 55.06 54.06 1rhx s HIS 12 Cb 0.39 0.68 -0.01 0.00 -1.43 0.00 0.00 32.58 32.21 1rhx s HIS 12 CO -0.10 -1.09 1.06 -1.25 -2.00 0.00 0.00 174.74 171.36 1rhx s PRO 13 N -3.69 3.19 0.00 -0.38 0.04 -1.26 -4.19 135.00 128.71 1rhx s PRO 13 Ca 0.11 0.70 0.00 0.00 0.04 0.00 0.00 61.00 61.86 1rhx s PRO 13 Cb -0.04 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.46 1rhx s PRO 13 CO 0.05 -0.85 0.00 0.28 0.04 0.00 0.00 177.00 176.52 1rhx n VAL 14 N -2.93 0.00 0.00 -0.36 0.31 -1.26 -4.79 118.33 109.30 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 -0.62 -1.32 0.00 0.00 176.83 174.89 1rhx n GLU 15 N 0.00 2.02 0.11 5.55 1.02 -1.26 -1.39 120.64 126.68 1rhx n GLU 15 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1rhx n GLU 15 Cb 0.00 -0.59 0.00 0.00 -0.02 0.00 0.00 31.44 30.83 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 -0.63 0.00 0.04 3.49 3.00 -1.26 -4.53 118.16 118.27 1rhx n LYS 16 Ca 0.00 0.00 0.17 0.00 -0.00 0.00 0.00 58.31 58.48 1rhx n LYS 16 Cb 0.07 -0.02 0.66 0.00 0.00 0.00 0.00 35.03 35.73 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 0.04 -1.45 3.14 7.12 -1.92 0.15 115.31 122.40 1rhx h LEU 17 Ca 0.00 0.00 0.03 0.00 0.13 0.00 0.00 57.88 58.04 1rhx h LEU 17 Cb 0.01 -0.01 -0.03 0.00 -0.53 0.00 0.00 40.66 40.10 1rhx h LEU 17 CO 0.00 0.03 0.40 0.07 -0.13 0.00 0.00 178.44 178.81 1rhx h LYS 18 N 0.05 0.71 -0.09 1.25 -0.00 -1.83 -1.60 116.57 115.06 1rhx h LYS 18 Ca 0.21 -0.04 -0.12 0.00 -0.00 0.00 0.00 60.65 60.69 1rhx h LYS 18 Cb 0.77 -0.16 -0.01 0.00 -0.00 0.00 0.00 32.23 32.82 1rhx h LYS 18 CO -0.01 0.47 -0.49 0.82 -0.00 0.00 0.00 179.45 180.24 1rhx h ILE 19 N 0.73 1.34 -0.27 0.07 2.04 -0.97 0.58 117.51 121.03 1rhx h ILE 19 Ca 0.24 -1.70 -0.14 0.00 1.00 0.00 0.00 64.86 64.26 1rhx h ILE 19 Cb 0.06 1.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.94 1rhx h ILE 19 CO -0.06 0.50 -0.40 0.03 0.00 0.00 0.00 178.15 178.22 1rhx h ARG 20 N 0.18 0.63 -0.90 2.37 -0.00 -1.24 -3.43 114.38 112.00 1rhx h ARG 20 Ca 0.01 -0.32 0.04 0.00 -0.50 0.00 0.00 59.98 59.20 1rhx h ARG 20 Cb 0.93 0.01 -0.20 0.00 0.00 0.00 0.00 29.97 30.70 1rhx h ARG 20 CO 0.07 0.92 -0.35 -1.12 0.00 0.00 0.00 179.97 179.50 1rhx s SER 21 N -6.85 -1.47 0.00 7.04 0.01 -0.78 -5.14 113.70 106.51 1rhx s SER 21 Ca -0.08 0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.21 1rhx s SER 21 Cb 0.12 1.92 0.00 0.00 0.21 0.00 0.00 66.02 68.27 1rhx s SER 21 CO 0.83 -0.25 0.00 0.00 0.41 0.00 0.00 173.24 174.23 1rhx n ALA 22 N 5.21 0.00 -3.85 1.44 0.00 0.13 -4.46 120.51 118.98 1rhx n ALA 22 Ca 0.06 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.39 1rhx n ALA 22 Cb 0.55 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.97 1rhx n ALA 22 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1rhx n LYS 23 N -0.05 0.68 -0.12 0.00 3.00 -1.26 -4.86 118.16 115.55 1rhx n LYS 23 Ca 0.00 -1.49 -0.12 0.00 -0.00 0.00 0.00 58.31 56.69 1rhx n LYS 23 Cb 0.00 0.88 -0.03 0.00 0.00 0.00 0.00 35.03 35.88 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 1.32 0.51 -0.15 3.14 0.00 -1.98 -3.29 119.26 118.81 1rhx h ALA 24 Ca -0.13 -0.38 -0.10 0.00 0.00 0.00 0.00 54.91 54.30 1rhx h ALA 24 Cb 0.53 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 1rhx h ALA 24 CO 0.21 0.49 0.13 -1.91 0.00 0.00 0.00 179.25 178.16 1rhx n GLU 25 N -4.24 1.25 -4.11 0.00 2.13 -1.26 -3.73 120.64 110.67 1rhx n GLU 25 Ca -0.02 -0.49 -0.22 0.00 0.66 0.00 0.00 57.16 57.08 1rhx n GLU 25 Cb 0.45 -1.19 -0.06 0.00 0.27 0.00 0.00 31.44 30.91 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 1.37 4.95 -0.04 4.31 -1.08 -1.24 -5.04 116.67 119.90 1rhx s ASP 26 Ca 0.10 -0.56 0.04 0.00 -0.52 0.00 0.00 52.55 51.61 1rhx s ASP 26 Cb 0.08 -0.97 -0.00 0.00 -1.46 0.00 0.00 42.92 40.56 1rhx s ASP 26 CO -0.00 -0.15 -0.17 -0.54 0.52 0.00 0.00 175.17 174.82 1rhx s LYS 27 N -3.82 1.75 0.09 4.34 3.01 -1.26 -2.43 119.74 121.42 1rhx s LYS 27 Ca 0.35 -0.62 -0.18 0.00 -1.01 0.00 0.00 55.97 54.51 1rhx s LYS 27 Cb -0.06 -1.54 0.04 0.00 -1.01 0.00 0.00 37.83 35.27 1rhx s LYS 27 CO 0.23 0.26 0.44 0.42 0.51 0.00 0.00 175.35 177.22 1rhx s ILE 28 N -0.03 0.05 0.05 2.17 1.01 -1.00 -4.79 121.20 118.66 1rhx s ILE 28 Ca -0.02 -0.43 -0.19 0.00 0.00 0.00 0.00 60.65 60.01 1rhx s ILE 28 Cb -0.11 -1.06 0.04 0.00 0.01 0.00 0.00 42.46 41.34 1rhx s ILE 28 CO 0.02 -0.24 0.43 -0.69 0.00 0.00 0.00 174.94 174.46 1rhx s VAL 29 N -3.21 0.05 0.01 2.92 1.01 -1.26 -3.93 120.40 115.99 1rhx s VAL 29 Ca -0.01 -0.44 0.06 0.00 0.00 0.00 0.00 61.98 61.60 1rhx s VAL 29 Cb 0.00 -0.96 -0.03 0.00 0.00 0.00 0.00 36.38 35.39 1rhx s VAL 29 CO -0.08 -0.24 -0.18 -0.76 0.00 0.00 0.00 175.10 173.84 1rhx s LEU 30 N -2.04 2.57 0.00 3.92 1.43 -0.35 -4.91 118.68 119.31 1rhx s LEU 30 Ca -0.05 -0.38 0.02 0.00 -1.03 0.00 0.00 54.13 52.69 1rhx s LEU 30 Cb -0.01 -1.51 -0.01 0.00 0.03 0.00 0.00 46.19 44.70 1rhx s LEU 30 CO -0.03 0.28 0.08 2.30 0.23 0.00 0.00 176.35 179.21 1rhx n ILE 31 N 1.81 0.00 0.00 -0.59 -5.35 -1.15 -0.40 119.36 113.68 1rhx n ILE 31 Ca -0.16 -1.24 0.00 0.00 -0.27 0.00 0.00 62.75 61.07 1rhx n ILE 31 Cb 0.52 0.45 0.00 0.00 -1.74 0.00 0.00 39.64 38.87 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 -0.48 0.00 -0.06 6.28 1.13 -1.26 -0.03 117.38 122.96 1rhx n GLN 32 Ca -0.03 0.00 -0.02 0.00 -1.94 0.00 0.00 57.00 55.01 1rhx n GLN 32 Cb 0.32 0.00 -0.14 0.00 0.11 0.00 0.00 30.24 30.52 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 0.49 0.58 -0.16 1.08 3.02 -1.26 -4.29 115.26 114.71 1rhx n ASN 33 Ca 0.00 0.00 0.29 0.00 -0.03 0.00 0.00 54.58 54.84 1rhx n ASN 33 Cb 0.00 1.29 0.62 0.00 -0.61 0.00 0.00 39.78 41.09 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 3.54 0.00 -0.23 7.41 0.00 -0.25 -0.76 103.07 112.77 1rhx h GLY 34 Ca -0.31 0.00 0.29 0.00 0.00 0.00 0.00 47.33 47.32 1rhx h GLY 34 CO 0.02 0.00 0.83 -0.39 0.00 0.00 0.00 176.54 177.00 1rhx h VAL 35 N 0.00 0.33 -0.38 4.60 -1.51 -1.27 -0.15 116.25 117.87 1rhx h VAL 35 Ca 0.44 0.00 0.11 0.00 -1.23 0.00 0.00 66.70 66.02 1rhx h VAL 35 Cb 2.27 0.39 -0.02 0.00 -2.13 0.00 0.00 31.29 31.81 1rhx h VAL 35 CO -0.00 0.00 0.44 -0.26 -1.23 0.00 0.00 177.57 176.52 1rhx h PHE 36 N 0.00 0.00 0.00 5.19 -1.00 -1.45 -1.16 116.94 118.52 1rhx h PHE 36 Ca 0.48 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 61.25 1rhx h PHE 36 Cb 2.14 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 41.70 1rhx h PHE 36 CO 0.00 0.00 -0.05 -1.49 -1.61 0.00 0.00 178.31 175.16 1rhx h TRP 37 N 0.00 0.00 -0.12 -0.55 4.06 -1.27 -2.55 115.95 115.53 1rhx h TRP 37 Ca 0.18 0.00 -0.08 0.00 2.06 0.00 0.00 58.89 61.05 1rhx h TRP 37 Cb 1.06 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 29.19 1rhx h TRP 37 CO 0.00 0.05 0.10 0.00 -3.56 0.00 0.00 178.44 175.03 1rhx n ALA 38 N -2.22 4.07 0.00 1.49 0.00 -0.44 -3.57 120.51 119.84 1rhx n ALA 38 Ca -0.02 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.01 1rhx n ALA 38 Cb 0.17 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.53 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 1.07 0.00 0.00 0.00 -0.00 -0.96 -0.36 117.00 116.75 1rhx n LEU 39 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.09 1rhx n LEU 39 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.96 1rhx n LEU 39 CO 0.09 0.00 0.00 -0.62 -0.00 0.00 0.00 177.39 176.86 1rhx n GLU 40 N 0.00 2.11 -2.89 1.47 -0.58 -1.23 -5.04 120.64 114.48 1rhx n GLU 40 Ca 0.00 0.00 -0.30 0.00 -0.42 0.00 0.00 57.16 56.44 1rhx n GLU 40 Cb 0.00 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 30.84 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 -0.16 3.73 0.00 3.49 -0.58 -1.26 -4.97 120.64 120.88 1rhx n GLU 41 Ca 0.00 -4.82 0.00 0.00 -0.42 0.00 0.00 57.16 51.92 1rhx n GLU 41 Cb 0.00 -2.29 0.00 0.00 -0.57 0.00 0.00 31.44 28.58 1rhx n GLU 41 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1rhx n LEU 42 N -0.15 0.00 0.00 -4.62 4.77 -1.26 -5.08 117.00 110.66 1rhx n LEU 42 Ca 0.34 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 56.28 1rhx n LEU 42 Cb 0.36 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.47 1rhx n LEU 42 CO 0.39 0.00 0.41 -1.84 -1.33 0.00 0.00 177.39 175.02 1rhx n GLU 43 N 0.00 0.66 -4.34 3.23 0.28 -1.26 -5.01 120.64 114.20 1rhx n GLU 43 Ca 0.00 -1.34 -0.25 0.00 -0.16 0.00 0.00 57.16 55.41 1rhx n GLU 43 Cb 0.00 1.70 -0.12 0.00 1.43 0.00 0.00 31.44 34.45 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 -2.35 1.95 -1.68 3.84 -1.32 -0.49 -4.28 115.64 111.31 1rhx s THR 44 Ca 0.12 -1.75 0.31 0.00 -1.21 0.00 0.00 61.69 59.16 1rhx s THR 44 Cb -0.03 -1.80 0.68 0.00 -1.51 0.00 0.00 72.50 69.84 1rhx s THR 44 CO 0.07 -0.10 2.12 -0.81 -2.21 0.00 0.00 174.62 173.69 1rhx n PRO 45 N 0.74 0.68 -1.72 7.08 -0.04 -1.26 -4.89 135.00 135.59 1rhx n PRO 45 Ca -0.17 -0.01 -0.29 0.00 -0.04 0.00 0.00 63.50 62.99 1rhx n PRO 45 Cb 0.55 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.60 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 -2.33 2.34 0.17 0.55 0.00 -1.24 -4.51 121.76 116.74 1rhx s ALA 46 Ca 0.37 -0.47 -0.30 0.00 0.00 0.00 0.00 51.96 51.56 1rhx s ALA 46 Cb 0.21 -3.02 -0.07 0.00 0.00 0.00 0.00 23.12 20.23 1rhx s ALA 46 CO 0.42 -1.78 0.97 -1.59 0.00 0.00 0.00 175.76 173.79 1rhx s LYS 47 N -5.36 4.74 0.01 0.00 -2.85 -1.02 -4.98 119.74 110.27 1rhx s LYS 47 Ca 0.62 1.51 -0.01 0.00 -1.00 0.00 0.00 55.97 57.08 1rhx s LYS 47 Cb -0.13 -3.32 -0.01 0.00 -2.06 0.00 0.00 37.83 32.31 1rhx s LYS 47 CO 0.52 0.31 0.02 0.14 0.10 0.00 0.00 175.35 176.43 1rhx s VAL 48 N -0.49 0.07 0.08 1.79 -7.23 -1.26 -2.38 120.40 110.97 1rhx s VAL 48 Ca 0.45 -0.55 -0.26 0.00 -1.81 0.00 0.00 61.98 59.81 1rhx s VAL 48 Cb -0.25 -0.21 0.08 0.00 0.56 0.00 0.00 36.38 36.56 1rhx s VAL 48 CO 0.32 -0.30 0.79 -0.31 -0.31 0.00 0.00 175.10 175.29 1rhx s TYR 49 N -0.91 -0.39 0.15 2.82 2.02 -1.25 -4.42 117.35 115.37 1rhx s TYR 49 Ca -0.10 0.20 0.06 0.00 -0.37 0.00 0.00 57.07 56.86 1rhx s TYR 49 Cb -0.06 0.56 -0.04 0.00 -0.40 0.00 0.00 41.96 42.02 1rhx s TYR 49 CO -0.00 -0.70 -0.13 0.00 -1.57 0.00 0.00 175.55 173.15 1rhx s ALA 50 N -3.38 1.59 -0.34 3.71 0.00 -0.72 -1.21 121.76 121.41 1rhx s ALA 50 Ca 0.05 -1.42 -0.29 0.00 0.00 0.00 0.00 51.96 50.29 1rhx s ALA 50 Cb -0.01 -0.04 0.02 0.00 0.00 0.00 0.00 23.12 23.08 1rhx s ALA 50 CO -0.09 0.04 1.10 0.42 0.00 0.00 0.00 175.76 177.24 1rhx s ILE 51 N -2.64 4.44 0.08 0.00 -1.09 0.47 -0.90 121.20 121.55 1rhx s ILE 51 Ca 0.14 1.63 -0.25 0.00 -2.23 0.00 0.00 60.65 59.94 1rhx s ILE 51 Cb -0.02 -4.42 -0.16 0.00 -1.58 0.00 0.00 42.46 36.28 1rhx s ILE 51 CO 0.03 -0.55 1.70 0.50 -1.23 0.00 0.00 174.94 175.39 1rhx h LYS 52 N 8.34 -0.16 -0.85 2.79 3.64 -1.06 -1.45 116.57 127.82 1rhx h LYS 52 Ca -0.21 0.01 0.18 0.00 -1.27 0.00 0.00 60.65 59.36 1rhx h LYS 52 Cb 1.06 0.04 -0.11 0.00 -0.41 0.00 0.00 32.23 32.81 1rhx h LYS 52 CO 1.05 -0.09 0.38 -0.44 -2.27 0.00 0.00 179.45 178.08 1rhx h ASP 53 N -0.18 0.38 0.20 4.20 3.32 -1.92 0.38 116.42 122.79 1rhx h ASP 53 Ca -0.02 0.13 -0.18 0.00 0.02 0.00 0.00 57.03 56.98 1rhx h ASP 53 Cb 0.14 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 1rhx h ASP 53 CO 0.03 0.09 -0.68 0.44 -1.72 0.00 0.00 179.24 177.40 1rhx h ASP 54 N 0.48 0.51 -0.23 6.45 3.32 -1.84 -0.32 116.42 124.78 1rhx h ASP 54 Ca 0.50 -0.31 -0.10 0.00 0.02 0.00 0.00 57.03 57.14 1rhx h ASP 54 Cb 0.84 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 40.23 1rhx h ASP 54 CO -0.45 1.04 -0.24 0.15 -1.72 0.00 0.00 179.24 178.02 1rhx h PHE 55 N 0.31 0.67 -0.81 4.55 3.57 -0.14 -1.88 116.94 123.21 1rhx h PHE 55 Ca -0.02 -0.20 0.01 0.00 3.53 0.00 0.00 57.97 61.28 1rhx h PHE 55 Cb 1.24 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.80 1rhx h PHE 55 CO 0.04 0.90 0.53 -0.07 -2.23 0.00 0.00 178.31 177.48 1rhx h LEU 56 N 0.25 0.93 0.00 0.59 3.38 -1.02 0.87 115.31 120.31 1rhx h LEU 56 Ca 0.03 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1rhx h LEU 56 Cb 0.79 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1rhx h LEU 56 CO 0.06 0.68 0.00 0.00 0.09 0.00 0.00 178.44 179.27 1rhx n ALA 57 N -2.32 1.80 -1.71 1.53 0.00 -0.13 -1.87 120.51 117.80 1rhx n ALA 57 Ca 0.08 -0.06 -0.20 0.00 0.00 0.00 0.00 53.44 53.26 1rhx n ALA 57 Cb 0.02 -1.20 0.09 0.00 0.00 0.00 0.00 19.45 18.35 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 -1.22 2.86 -4.09 0.00 3.00 0.29 -4.99 116.66 112.51 1rhx n ARG 58 Ca 0.07 -3.69 -0.28 0.00 -0.00 0.00 0.00 57.85 53.94 1rhx n ARG 58 Cb 0.09 -2.13 -0.04 0.00 0.00 0.00 0.00 32.46 30.37 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 -0.88 -0.22 3.64 5.14 0.00 -0.78 -5.00 105.19 107.08 1rhx n GLY 59 Ca 0.44 0.15 -0.24 0.00 0.00 0.00 0.00 46.02 46.38 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 -3.98 2.61 0.49 1.61 2.02 -1.16 -5.05 117.35 113.89 1rhx s TYR 60 Ca 0.10 -0.34 -0.00 0.00 -0.37 0.00 0.00 57.07 56.46 1rhx s TYR 60 Cb -0.06 -1.38 0.01 0.00 -0.40 0.00 0.00 41.96 40.13 1rhx s TYR 60 CO 0.92 0.52 0.73 0.45 -1.57 0.00 0.00 175.55 176.60 1rhx s SER 61 N -3.71 5.66 0.08 2.29 0.15 -1.26 -4.47 113.70 112.44 1rhx s SER 61 Ca 0.34 0.28 0.14 0.00 0.70 0.00 0.00 55.95 57.41 1rhx s SER 61 Cb -0.03 -1.41 0.62 0.00 -1.71 0.00 0.00 66.02 63.49 1rhx s SER 61 CO 0.20 -0.86 1.44 -0.62 1.20 0.00 0.00 173.24 174.60 1rhx n GLU 62 N -2.22 0.05 -0.11 5.44 1.02 -1.26 -2.11 120.64 121.46 1rhx n GLU 62 Ca 0.03 0.37 0.05 0.00 -0.02 0.00 0.00 57.16 57.60 1rhx n GLU 62 Cb 0.58 -1.62 0.11 0.00 -0.02 0.00 0.00 31.44 30.49 1rhx n GLU 62 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1rhx n GLU 63 N -1.72 2.07 0.06 3.49 4.07 -1.26 -4.53 120.64 122.81 1rhx n GLU 63 Ca 0.02 -1.71 -0.01 0.00 -0.06 0.00 0.00 57.16 55.40 1rhx n GLU 63 Cb 0.14 -1.23 -0.06 0.00 -0.06 0.00 0.00 31.44 30.22 1rhx n GLU 63 CO 0.00 0.00 0.00 -0.44 -0.06 0.00 0.00 177.13 176.63 1rhx h ASP 64 N 1.92 0.00 -4.18 4.31 3.32 -1.82 -3.47 116.42 116.50 1rhx h ASP 64 Ca 0.00 0.00 -0.48 0.00 0.02 0.00 0.00 57.03 56.57 1rhx h ASP 64 Cb 0.62 0.00 0.07 0.00 0.22 0.00 0.00 39.33 40.24 1rhx h ASP 64 CO 0.00 0.62 0.33 -0.44 -1.72 0.00 0.00 179.24 178.03 1rhx s SER 65 N -6.03 5.39 -0.38 6.45 0.01 -1.26 -4.96 113.70 112.91 1rhx s SER 65 Ca -0.01 0.93 0.05 0.00 1.31 0.00 0.00 55.95 58.23 1rhx s SER 65 Cb 0.08 -1.76 0.48 0.00 0.21 0.00 0.00 66.02 65.03 1rhx s SER 65 CO 0.80 -1.31 1.50 2.29 0.41 0.00 0.00 173.24 176.92 1rhx n LYS 66 N -2.89 2.77 -3.95 12.44 2.85 0.52 -5.01 118.16 124.89 1rhx n LYS 66 Ca 0.06 -3.62 -0.10 0.00 -1.05 0.00 0.00 58.31 53.61 1rhx n LYS 66 Cb 0.58 -2.12 -0.07 0.00 -0.65 0.00 0.00 35.03 32.77 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 -4.19 0.06 -0.09 0.58 -7.23 -1.26 -4.95 120.40 103.32 1rhx s VAL 67 Ca 0.52 -1.34 -0.30 0.00 -1.81 0.00 0.00 61.98 59.05 1rhx s VAL 67 Cb 0.43 -1.85 -0.04 0.00 0.56 0.00 0.00 36.38 35.49 1rhx s VAL 67 CO 0.01 -0.26 1.41 -2.16 -0.31 0.00 0.00 175.10 173.79 1rhx s PRO 68 N -3.96 4.23 -0.59 4.82 0.04 -1.26 -4.80 135.00 133.47 1rhx s PRO 68 Ca 0.17 1.89 -0.23 0.00 0.04 0.00 0.00 61.00 62.87 1rhx s PRO 68 Cb 0.03 -3.79 0.05 0.00 0.04 0.00 0.00 34.50 30.83 1rhx s PRO 68 CO 0.00 -0.71 0.93 -0.51 0.04 0.00 0.00 177.00 176.75 1rhx s LEU 69 N 3.40 4.26 0.37 -3.56 1.43 -1.26 -1.75 118.68 121.56 1rhx s LEU 69 Ca 0.62 -0.65 0.07 0.00 -1.03 0.00 0.00 54.13 53.15 1rhx s LEU 69 Cb -0.27 -2.63 -0.01 0.00 0.03 0.00 0.00 46.19 43.31 1rhx s LEU 69 CO 0.22 -1.30 0.43 0.27 0.23 0.00 0.00 176.35 176.20 1rhx s ILE 70 N 3.93 3.47 0.74 -0.59 -4.36 -0.08 -4.71 121.20 119.60 1rhx s ILE 70 Ca 0.26 -1.15 -0.09 0.00 -0.26 0.00 0.00 60.65 59.41 1rhx s ILE 70 Cb -0.15 -3.19 0.06 0.00 1.25 0.00 0.00 42.46 40.43 1rhx s ILE 70 CO 0.15 -0.10 1.08 0.42 0.24 0.00 0.00 174.94 176.73 1rhx s THR 71 N -2.29 2.29 0.28 8.37 -4.23 -1.26 -0.48 115.64 118.33 1rhx s THR 71 Ca 0.47 -0.11 0.03 0.00 -1.18 0.00 0.00 61.69 60.89 1rhx s THR 71 Cb -0.08 -3.05 0.28 0.00 1.34 0.00 0.00 72.50 70.99 1rhx s THR 71 CO 0.30 -0.06 1.77 1.88 -0.54 0.00 0.00 174.62 177.98 1rhx h TYR 72 N -0.77 0.95 -0.37 3.99 0.05 -1.96 -2.45 116.97 116.42 1rhx h TYR 72 Ca -0.45 0.03 -0.13 0.00 0.05 0.00 0.00 58.73 58.24 1rhx h TYR 72 Cb 1.32 -0.28 -0.01 0.00 1.01 0.00 0.00 36.73 38.76 1rhx h TYR 72 CO 0.34 0.23 -0.28 0.66 -1.05 0.00 0.00 178.16 178.06 1rhx h SER 73 N 0.72 0.81 -0.48 3.88 4.64 -1.99 -1.46 113.55 119.66 1rhx h SER 73 Ca 0.53 -0.32 0.01 0.00 -0.47 0.00 0.00 61.79 61.54 1rhx h SER 73 Cb 0.77 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 62.61 1rhx h SER 73 CO -0.37 1.04 0.31 -0.33 -0.87 0.00 0.00 176.83 176.61 1rhx h GLU 74 N 0.67 0.61 -0.18 4.77 5.08 -1.87 -1.57 114.58 122.09 1rhx h GLU 74 Ca 0.08 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.43 1rhx h GLU 74 Cb 0.81 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 1rhx h GLU 74 CO 0.07 0.41 0.13 0.35 -1.00 0.00 0.00 179.01 178.96 1rhx h PHE 75 N 0.63 0.11 -0.57 4.33 3.57 -0.96 -1.76 116.94 122.30 1rhx h PHE 75 Ca 0.18 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.59 1rhx h PHE 75 Cb -0.05 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.63 1rhx h PHE 75 CO -0.05 0.07 -0.01 0.82 -2.23 0.00 0.00 178.31 176.91 1rhx h ILE 76 N 0.12 1.27 -0.95 1.41 1.08 -0.28 -2.52 117.51 117.64 1rhx h ILE 76 Ca 0.08 -1.15 -0.00 0.00 -0.39 0.00 0.00 64.86 63.40 1rhx h ILE 76 Cb 0.17 0.87 -0.05 0.00 -3.07 0.00 0.00 36.82 34.75 1rhx h ILE 76 CO -0.01 0.41 0.58 -0.78 -0.69 0.00 0.00 178.15 177.67 1rhx h ASP 77 N 0.90 1.13 0.12 1.72 1.82 -1.00 -1.77 116.42 119.34 1rhx h ASP 77 Ca 0.16 -0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.74 1rhx h ASP 77 Cb 0.56 -0.28 0.00 0.00 0.68 0.00 0.00 39.33 40.29 1rhx h ASP 77 CO 0.03 0.85 0.00 0.18 -1.61 0.00 0.00 179.24 178.69 1rhx n LEU 78 N -4.36 0.00 0.00 2.28 4.32 -0.73 -4.18 117.00 114.33 1rhx n LEU 78 Ca 0.11 0.31 0.00 0.00 -0.02 0.00 0.00 56.01 56.40 1rhx n LEU 78 Cb 0.05 -0.31 0.00 0.00 -1.62 0.00 0.00 43.42 41.54 1rhx n LEU 78 CO 0.38 -0.25 0.00 0.18 -1.22 0.00 0.00 177.39 176.48 1rhx n LEU 79 N -1.31 0.00 -1.62 2.23 4.77 -0.67 -4.99 117.00 115.41 1rhx n LEU 79 Ca 0.03 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.82 1rhx n LEU 79 Cb 0.05 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.08 1rhx n LEU 79 CO 0.05 0.00 -0.19 -0.62 -1.33 0.00 0.00 177.39 175.29 1rhx n GLU 80 N 0.00 -1.33 0.00 3.23 -0.58 -1.19 -4.21 120.64 116.56 1rhx n GLU 80 Ca 0.00 1.06 0.00 0.00 -0.42 0.00 0.00 57.16 57.80 1rhx n GLU 80 Cb 0.00 -5.41 0.00 0.00 -0.57 0.00 0.00 31.44 25.46 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 -0.82 0.00 2.78 0.62 0.00 -1.26 -5.16 105.19 101.34 1rhx n GLY 81 Ca -0.19 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 0.15 -0.39 1.61 0.41 -1.26 -5.04 118.70 114.18 1rhx s GLU 82 Ca 0.00 0.16 0.10 0.00 -0.41 0.00 0.00 54.97 54.82 1rhx s GLU 82 Cb 0.00 -0.44 0.32 0.00 -1.78 0.00 0.00 34.13 32.23 1rhx s GLU 82 CO 0.00 -0.18 0.73 0.39 -0.49 0.00 0.00 175.26 175.71 1rhx n GLU 83 N 4.38 0.90 -1.95 1.61 1.02 -1.26 -4.90 120.64 120.44 1rhx n GLU 83 Ca -0.22 -3.10 -0.04 0.00 -0.02 0.00 0.00 57.16 53.78 1rhx n GLU 83 Cb 0.50 -1.50 0.04 0.00 -0.02 0.00 0.00 31.44 30.46 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 0.63 0.77 -1.15 3.49 2.85 -1.26 -4.98 118.16 118.52 1rhx n LYS 84 Ca 0.21 -1.31 -0.00 0.00 -1.05 0.00 0.00 58.31 56.16 1rhx n LYS 84 Cb 0.63 0.31 0.00 0.00 -0.65 0.00 0.00 35.03 35.33 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 -0.77 -0.11 -2.86 5.58 -1.74 -1.26 -4.73 117.46 111.57 1rhx n PHE 85 Ca -0.19 -0.11 0.00 0.00 -0.56 0.00 0.00 57.45 56.59 1rhx n PHE 85 Cb 0.82 0.48 0.00 0.00 1.52 0.00 0.00 39.48 42.30 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 -0.08 0.00 0.00 1.97 2.08 -0.94 -4.60 119.36 117.80 1rhx n ILE 86 Ca -0.02 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.29 1rhx n ILE 86 Cb 0.43 -0.99 0.00 0.00 -0.75 0.00 0.00 39.64 38.33 1rhx n ILE 86 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72