#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 -0.81 -0.66 3.04 0.00 -1.26 -5.10 121.76 116.97 1rhx s ALA 2 Ca 0.00 -0.34 0.05 0.00 0.00 0.00 0.00 51.96 51.67 1rhx s ALA 2 Cb 0.00 0.87 0.17 0.00 0.00 0.00 0.00 23.12 24.16 1rhx s ALA 2 CO 0.00 -0.80 0.48 1.28 0.00 0.00 0.00 175.76 176.72 1rhx n LEU 3 N -0.34 2.55 -3.50 0.00 4.77 -1.26 -4.89 117.00 114.33 1rhx n LEU 3 Ca -0.09 -5.10 -0.40 0.00 -0.03 0.00 0.00 56.01 50.39 1rhx n LEU 3 Cb 0.62 -0.57 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1rhx n LEU 3 CO 0.18 1.78 2.09 0.52 -1.33 0.00 0.00 177.39 180.64 1rhx n VAL 4 N 2.04 5.45 -3.50 4.08 0.31 -1.26 -3.19 118.33 122.27 1rhx n VAL 4 Ca 0.22 -4.79 -0.11 0.00 -0.01 0.00 0.00 64.34 59.65 1rhx n VAL 4 Cb 0.37 -1.90 -0.03 0.00 -0.91 0.00 0.00 33.84 31.37 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 -2.81 -0.46 -0.37 7.52 2.34 0.44 -4.50 118.68 120.84 1rhx s LEU 5 Ca 0.50 0.17 0.06 0.00 0.06 0.00 0.00 54.13 54.92 1rhx s LEU 5 Cb 0.19 2.22 0.27 0.00 -0.56 0.00 0.00 46.19 48.31 1rhx s LEU 5 CO -0.11 -0.66 1.24 0.55 -1.06 0.00 0.00 176.35 176.31 1rhx n VAL 6 N 0.05 0.00 -2.46 1.48 3.14 -1.26 -4.60 118.33 114.69 1rhx n VAL 6 Ca -0.13 -1.16 -0.04 0.00 -2.96 0.00 0.00 64.34 60.05 1rhx n VAL 6 Cb 0.61 0.92 0.05 0.00 -1.06 0.00 0.00 33.84 34.36 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 -0.40 1.78 -2.39 1.45 2.85 -1.26 -3.00 118.16 117.18 1rhx n LYS 7 Ca -0.10 -3.32 -0.00 0.00 -1.05 0.00 0.00 58.31 53.83 1rhx n LYS 7 Cb 0.76 -1.42 0.05 0.00 -0.65 0.00 0.00 35.03 33.77 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 -0.45 0.28 0.00 5.58 4.02 -1.26 -4.42 117.16 120.91 1rhx n TYR 8 Ca 0.16 -1.60 0.00 0.00 -0.01 0.00 0.00 57.90 56.46 1rhx n TYR 8 Cb 0.90 0.18 0.00 0.00 -0.02 0.00 0.00 39.34 40.40 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 -0.50 0.42 1.72 2.72 0.00 -1.22 -4.27 105.19 104.06 1rhx n GLY 9 Ca -0.00 0.61 -0.10 0.00 0.00 0.00 0.00 46.02 46.53 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 2.43 -1.90 2.61 -2.24 -1.26 -4.03 114.28 109.89 1rhx n THR 10 Ca 0.00 -1.16 -0.17 0.00 -2.27 0.00 0.00 64.05 60.45 1rhx n THR 10 Cb 0.00 -1.39 0.07 0.00 -2.10 0.00 0.00 70.33 66.91 1rhx n THR 10 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1rhx n ASP 11 N 0.80 4.22 0.00 3.42 5.75 -1.26 -4.99 116.55 124.49 1rhx n ASP 11 Ca 0.17 -3.79 0.00 0.00 -0.01 0.00 0.00 54.79 51.17 1rhx n ASP 11 Cb 0.55 -0.40 0.00 0.00 -1.03 0.00 0.00 41.12 40.24 1rhx n ASP 11 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1rhx n HIS 12 N -0.82 0.00 -2.17 2.11 1.44 -1.26 -4.61 115.22 109.91 1rhx n HIS 12 Ca 0.39 0.00 -0.28 0.00 -2.01 0.00 0.00 57.72 55.82 1rhx n HIS 12 Cb 0.90 0.00 0.05 0.00 0.12 0.00 0.00 29.99 31.06 1rhx n HIS 12 CO 0.00 0.00 0.00 -1.25 -2.81 0.00 0.00 176.34 172.28 1rhx s PRO 13 N -2.00 2.63 0.00 -1.40 0.04 -1.26 -4.41 135.00 128.60 1rhx s PRO 13 Ca 0.00 0.07 0.00 0.00 0.04 0.00 0.00 61.00 61.11 1rhx s PRO 13 Cb 0.00 -2.15 0.00 0.00 0.04 0.00 0.00 34.50 32.39 1rhx s PRO 13 CO 0.00 -1.01 0.00 0.28 0.04 0.00 0.00 177.00 176.31 1rhx n VAL 14 N -2.85 0.00 0.00 -0.36 0.31 -1.26 -4.76 118.33 109.41 1rhx n VAL 14 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 1rhx n VAL 14 Cb 0.59 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.52 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 1.87 0.05 5.55 0.28 -1.26 -0.43 120.64 126.71 1rhx n GLU 15 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1rhx n GLU 15 Cb 0.00 -0.18 0.00 0.00 1.43 0.00 0.00 31.44 32.69 1rhx n GLU 15 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1rhx n LYS 16 N -0.07 0.00 0.09 3.44 3.00 -1.26 -4.30 118.16 119.05 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 0.00 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 -1.08 3.14 -0.00 -1.92 0.23 115.31 115.68 1rhx h LEU 17 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 57.88 57.92 1rhx h LEU 17 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 40.60 1rhx h LEU 17 CO 0.00 0.00 0.62 0.07 -0.00 0.00 0.00 178.44 179.13 1rhx h LYS 18 N 0.00 1.14 -0.12 1.13 -0.00 -1.85 -2.43 116.57 114.43 1rhx h LYS 18 Ca 0.17 -0.07 -0.08 0.00 -0.00 0.00 0.00 60.65 60.67 1rhx h LYS 18 Cb 0.72 -0.26 -0.01 0.00 -0.00 0.00 0.00 32.23 32.69 1rhx h LYS 18 CO -0.00 0.75 -0.29 0.97 -0.00 0.00 0.00 179.45 180.88 1rhx h ILE 19 N 1.17 1.26 -0.19 0.07 2.10 -0.81 0.89 117.51 121.99 1rhx h ILE 19 Ca 0.38 -1.21 -0.11 0.00 1.08 0.00 0.00 64.86 64.99 1rhx h ILE 19 Cb 0.04 1.49 0.00 0.00 -1.09 0.00 0.00 36.82 37.26 1rhx h ILE 19 CO -0.12 0.37 -0.33 0.03 -1.08 0.00 0.00 178.15 177.01 1rhx h ARG 20 N 0.20 0.55 -1.19 2.19 -0.00 -1.40 -3.43 114.38 111.31 1rhx h ARG 20 Ca 0.03 -0.35 0.01 0.00 -0.50 0.00 0.00 59.98 59.17 1rhx h ARG 20 Cb 0.63 0.04 -0.23 0.00 0.00 0.00 0.00 29.97 30.41 1rhx h ARG 20 CO 0.05 0.95 -0.37 0.45 0.00 0.00 0.00 179.97 181.05 1rhx s SER 21 N -6.49 -1.08 0.00 7.04 0.15 -0.88 -5.15 113.70 107.29 1rhx s SER 21 Ca -0.13 0.40 0.00 0.00 0.70 0.00 0.00 55.95 56.92 1rhx s SER 21 Cb 0.07 1.87 0.00 0.00 -1.71 0.00 0.00 66.02 66.25 1rhx s SER 21 CO 0.81 -0.29 0.00 0.00 1.20 0.00 0.00 173.24 174.96 1rhx n ALA 22 N 5.41 0.00 -3.42 5.45 0.00 0.25 -4.49 120.51 123.71 1rhx n ALA 22 Ca 0.01 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.38 1rhx n ALA 22 Cb 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.95 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 -0.18 0.20 0.08 0.00 3.00 -1.26 -4.80 118.16 115.20 1rhx n LYS 23 Ca 0.00 -1.11 0.04 0.00 -0.00 0.00 0.00 58.31 57.24 1rhx n LYS 23 Cb 0.00 0.99 0.45 0.00 0.00 0.00 0.00 35.03 36.47 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 1.52 1.69 -0.45 3.14 0.00 -1.98 -2.76 119.26 120.42 1rhx h ALA 24 Ca -0.09 -0.08 -0.71 0.00 0.00 0.00 0.00 54.91 54.03 1rhx h ALA 24 Cb 0.43 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.03 1rhx h ALA 24 CO 0.13 0.25 2.77 -0.85 0.00 0.00 0.00 179.25 181.54 1rhx n GLU 25 N -4.42 4.29 -4.40 0.00 0.28 -1.26 -3.97 120.64 111.16 1rhx n GLU 25 Ca 0.01 -3.06 -0.21 0.00 -0.16 0.00 0.00 57.16 53.74 1rhx n GLU 25 Cb 0.13 -2.66 -0.09 0.00 1.43 0.00 0.00 31.44 30.25 1rhx n GLU 25 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1rhx s ASP 26 N 0.89 1.96 -0.09 -1.84 -1.08 -1.04 -5.08 116.67 110.39 1rhx s ASP 26 Ca 0.59 -1.55 -0.04 0.00 -0.52 0.00 0.00 52.55 51.03 1rhx s ASP 26 Cb 0.19 0.34 0.05 0.00 -1.46 0.00 0.00 42.92 42.03 1rhx s ASP 26 CO -0.09 -0.85 0.18 -0.54 0.52 0.00 0.00 175.17 174.40 1rhx s LYS 27 N -3.81 0.08 0.11 4.34 3.01 -1.26 -2.44 119.74 119.76 1rhx s LYS 27 Ca 0.33 0.57 -0.08 0.00 -1.01 0.00 0.00 55.97 55.77 1rhx s LYS 27 Cb 0.05 -0.20 -0.00 0.00 -1.01 0.00 0.00 37.83 36.67 1rhx s LYS 27 CO 0.16 -0.27 0.21 0.42 0.51 0.00 0.00 175.35 176.38 1rhx s ILE 28 N 2.08 0.12 0.17 2.17 1.01 -0.05 -4.79 121.20 121.91 1rhx s ILE 28 Ca -0.00 -1.26 -0.07 0.00 0.00 0.00 0.00 60.65 59.32 1rhx s ILE 28 Cb -0.12 -1.50 -0.02 0.00 0.01 0.00 0.00 42.46 40.84 1rhx s ILE 28 CO -0.07 -0.55 0.25 -0.69 0.00 0.00 0.00 174.94 173.89 1rhx s VAL 29 N -3.90 0.06 -0.00 2.92 1.01 -1.26 -3.32 120.40 115.91 1rhx s VAL 29 Ca 0.09 -1.53 0.08 0.00 0.00 0.00 0.00 61.98 60.62 1rhx s VAL 29 Cb 0.05 -1.97 -0.02 0.00 0.00 0.00 0.00 36.38 34.43 1rhx s VAL 29 CO -0.08 -0.26 -0.25 -0.76 0.00 0.00 0.00 175.10 173.75 1rhx s LEU 30 N -3.00 2.08 0.24 3.92 1.43 0.55 -4.87 118.68 119.03 1rhx s LEU 30 Ca 0.21 -0.48 0.01 0.00 -1.03 0.00 0.00 54.13 52.84 1rhx s LEU 30 Cb 0.04 -1.27 -0.04 0.00 0.03 0.00 0.00 46.19 44.95 1rhx s LEU 30 CO 0.02 0.29 0.15 0.27 0.23 0.00 0.00 176.35 177.32 1rhx s ILE 31 N -0.63 0.12 0.00 -0.59 -4.36 -1.16 -1.15 121.20 113.42 1rhx s ILE 31 Ca 0.10 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.49 1rhx s ILE 31 Cb -0.10 -2.52 0.00 0.00 1.25 0.00 0.00 42.46 41.10 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 -0.40 0.00 0.00 0.37 1.13 -1.26 0.55 117.38 117.77 1rhx n GLN 32 Ca 0.03 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.09 1rhx n GLN 32 Cb 0.65 0.00 0.00 0.00 0.11 0.00 0.00 30.24 31.00 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 0.01 2.56 -0.49 1.08 5.03 -1.26 -4.78 115.26 117.41 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 0.21 0.65 0.00 -1.02 0.00 0.00 39.78 39.61 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 2.02 -0.79 0.48 7.41 0.00 0.19 -0.55 105.19 113.95 1rhx n GLY 34 Ca 0.00 0.65 0.25 0.00 0.00 0.00 0.00 46.02 46.92 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 0.09 -0.72 1.61 -1.51 -1.81 -0.57 116.25 113.35 1rhx h VAL 35 Ca 0.80 0.00 0.17 0.00 -1.23 0.00 0.00 66.70 66.44 1rhx h VAL 35 Cb 2.81 0.19 -0.04 0.00 -2.13 0.00 0.00 31.29 32.12 1rhx h VAL 35 CO -0.27 0.00 0.49 -0.26 -1.23 0.00 0.00 177.57 176.30 1rhx h PHE 36 N 0.00 0.24 0.00 5.19 -1.00 -1.13 -1.64 116.94 118.61 1rhx h PHE 36 Ca 0.38 0.01 -0.01 0.00 2.81 0.00 0.00 57.97 61.16 1rhx h PHE 36 Cb 2.35 -0.08 -0.00 0.00 3.61 0.00 0.00 35.95 41.83 1rhx h PHE 36 CO 0.00 0.08 -0.04 -1.49 -1.61 0.00 0.00 178.31 175.25 1rhx h TRP 37 N 0.20 0.00 -0.21 -0.55 4.06 -1.35 -2.98 115.95 115.12 1rhx h TRP 37 Ca 0.35 0.00 -0.14 0.00 2.06 0.00 0.00 58.89 61.16 1rhx h TRP 37 Cb 1.08 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 29.18 1rhx h TRP 37 CO -0.00 0.04 0.18 0.00 -3.56 0.00 0.00 178.44 175.10 1rhx n ALA 38 N -2.14 4.31 -2.37 1.49 0.00 -0.62 -3.36 120.51 117.82 1rhx n ALA 38 Ca -0.01 -0.72 -0.00 0.00 0.00 0.00 0.00 53.44 52.71 1rhx n ALA 38 Cb 0.24 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.54 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 0.88 -0.03 0.00 0.00 -0.00 -1.13 -1.34 117.00 115.38 1rhx n LEU 39 Ca 0.13 -0.91 0.00 0.00 -0.00 0.00 0.00 56.01 55.23 1rhx n LEU 39 Cb 0.56 0.86 0.00 0.00 -0.00 0.00 0.00 43.42 44.84 1rhx n LEU 39 CO 0.16 0.95 0.00 -0.62 -0.00 0.00 0.00 177.39 177.88 1rhx n GLU 40 N -0.03 3.64 -1.96 1.47 -0.58 -1.21 -5.10 120.64 116.87 1rhx n GLU 40 Ca -0.00 0.00 -0.22 0.00 -0.42 0.00 0.00 57.16 56.52 1rhx n GLU 40 Cb 0.47 0.00 0.03 0.00 -0.57 0.00 0.00 31.44 31.38 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 -0.01 3.45 -1.16 3.49 0.28 -1.26 -5.01 120.64 120.40 1rhx n GLU 41 Ca 0.00 -4.10 0.00 0.00 -0.16 0.00 0.00 57.16 52.90 1rhx n GLU 41 Cb 0.00 -2.22 0.00 0.00 1.43 0.00 0.00 31.44 30.65 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 -0.73 0.00 -3.89 -1.84 4.77 -1.26 -5.12 117.00 108.93 1rhx n LEU 42 Ca 0.42 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 56.30 1rhx n LEU 42 Cb 0.95 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 42.03 1rhx n LEU 42 CO 0.36 0.00 0.40 -1.83 -1.33 0.00 0.00 177.39 175.00 1rhx s GLU 43 N -1.55 1.97 0.09 3.23 -1.05 -1.26 -4.89 118.70 115.24 1rhx s GLU 43 Ca 0.00 -1.34 0.08 0.00 -0.15 0.00 0.00 54.97 53.56 1rhx s GLU 43 Cb 0.00 0.57 -0.04 0.00 -0.44 0.00 0.00 34.13 34.22 1rhx s GLU 43 CO 0.00 -0.89 -0.17 -0.08 0.95 0.00 0.00 175.26 175.08 1rhx s THR 44 N -3.10 2.92 -1.99 1.83 -1.32 0.43 -4.31 115.64 110.09 1rhx s THR 44 Ca 0.18 -1.37 0.31 0.00 -1.21 0.00 0.00 61.69 59.60 1rhx s THR 44 Cb -0.04 -2.31 0.89 0.00 -1.51 0.00 0.00 72.50 69.52 1rhx s THR 44 CO 0.11 0.17 2.19 -0.81 -2.21 0.00 0.00 174.62 174.07 1rhx n PRO 45 N 1.00 0.97 -1.73 7.08 -0.04 -1.26 -4.91 135.00 136.10 1rhx n PRO 45 Ca -0.15 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.01 1rhx n PRO 45 Cb 0.52 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.66 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 -2.01 1.98 0.09 0.55 0.00 -1.25 -4.53 121.76 116.59 1rhx s ALA 46 Ca 0.47 -0.97 -0.30 0.00 0.00 0.00 0.00 51.96 51.16 1rhx s ALA 46 Cb 0.22 -2.86 -0.05 0.00 0.00 0.00 0.00 23.12 20.42 1rhx s ALA 46 CO 0.36 -2.47 1.02 -1.59 0.00 0.00 0.00 175.76 173.09 1rhx s LYS 47 N -5.67 4.61 0.02 0.00 -2.85 -1.02 -4.97 119.74 109.86 1rhx s LYS 47 Ca 0.70 1.53 0.01 0.00 -1.00 0.00 0.00 55.97 57.21 1rhx s LYS 47 Cb -0.08 -3.38 -0.01 0.00 -2.06 0.00 0.00 37.83 32.30 1rhx s LYS 47 CO 0.53 0.06 -0.05 0.14 0.10 0.00 0.00 175.35 176.13 1rhx s VAL 48 N 0.36 0.31 0.23 1.79 -7.23 -1.24 -0.87 120.40 113.74 1rhx s VAL 48 Ca 0.50 -0.66 -0.18 0.00 -1.81 0.00 0.00 61.98 59.84 1rhx s VAL 48 Cb -0.25 -0.36 0.02 0.00 0.56 0.00 0.00 36.38 36.36 1rhx s VAL 48 CO 0.30 -0.24 0.57 -0.31 -0.31 0.00 0.00 175.10 175.11 1rhx s TYR 49 N -0.88 -0.05 0.09 2.82 2.02 -1.21 -4.44 117.35 115.69 1rhx s TYR 49 Ca -0.07 -0.32 0.02 0.00 -0.37 0.00 0.00 57.07 56.33 1rhx s TYR 49 Cb -0.07 0.44 -0.04 0.00 -0.40 0.00 0.00 41.96 41.89 1rhx s TYR 49 CO -0.00 -1.01 -0.07 0.00 -1.57 0.00 0.00 175.55 172.89 1rhx s ALA 50 N -3.91 0.93 -0.43 3.71 0.00 -0.48 -0.33 121.76 121.26 1rhx s ALA 50 Ca 0.12 -1.25 -0.29 0.00 0.00 0.00 0.00 51.96 50.54 1rhx s ALA 50 Cb -0.02 0.13 0.02 0.00 0.00 0.00 0.00 23.12 23.25 1rhx s ALA 50 CO 0.02 -0.19 1.14 0.42 0.00 0.00 0.00 175.76 177.15 1rhx s ILE 51 N -3.21 4.26 0.17 0.00 -1.09 -0.30 -0.79 121.20 120.24 1rhx s ILE 51 Ca 0.08 1.34 -0.18 0.00 -2.23 0.00 0.00 60.65 59.66 1rhx s ILE 51 Cb 0.02 -4.52 0.10 0.00 -1.58 0.00 0.00 42.46 36.48 1rhx s ILE 51 CO -0.04 -0.85 1.65 0.50 -1.23 0.00 0.00 174.94 174.97 1rhx h LYS 52 N 9.02 -0.06 -0.37 2.79 3.64 -1.16 -0.08 116.57 130.34 1rhx h LYS 52 Ca -0.23 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.09 1rhx h LYS 52 Cb 1.06 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.89 1rhx h LYS 52 CO 1.10 -0.04 -0.02 -0.44 -2.27 0.00 0.00 179.45 177.77 1rhx h ASP 53 N -0.07 0.66 -0.58 4.20 3.32 -1.91 0.35 116.42 122.38 1rhx h ASP 53 Ca 0.20 -0.32 -0.09 0.00 0.02 0.00 0.00 57.03 56.84 1rhx h ASP 53 Cb 0.37 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 1rhx h ASP 53 CO -0.45 0.83 0.04 -2.24 -1.72 0.00 0.00 179.24 175.69 1rhx h ASP 54 N 0.48 1.00 -0.29 6.45 3.04 -1.92 0.55 116.42 125.73 1rhx h ASP 54 Ca 0.10 -0.26 0.04 0.00 -3.24 0.00 0.00 57.03 53.67 1rhx h ASP 54 Cb 0.50 -0.27 -0.03 0.00 -1.04 0.00 0.00 39.33 38.49 1rhx h ASP 54 CO 0.02 1.03 0.08 0.15 -2.04 0.00 0.00 179.24 178.48 1rhx h PHE 55 N 0.95 0.13 -0.34 4.15 3.57 -0.56 0.96 116.94 125.81 1rhx h PHE 55 Ca 0.18 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.58 1rhx h PHE 55 Cb 0.50 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.21 1rhx h PHE 55 CO 0.03 0.05 -0.25 -0.07 -2.23 0.00 0.00 178.31 175.84 1rhx h LEU 56 N 0.19 0.69 -1.76 0.59 3.38 -0.86 -1.44 115.31 116.11 1rhx h LEU 56 Ca 0.13 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1rhx h LEU 56 Cb 0.12 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1rhx h LEU 56 CO -0.15 0.92 0.00 0.00 0.09 0.00 0.00 178.44 179.29 1rhx h ALA 57 N 1.13 1.00 -0.73 1.53 0.00 0.09 -3.15 119.26 119.13 1rhx h ALA 57 Ca 0.08 0.00 -0.45 0.00 0.00 0.00 0.00 54.91 54.54 1rhx h ALA 57 Cb 0.74 0.00 -0.22 0.00 0.00 0.00 0.00 17.79 18.31 1rhx h ALA 57 CO 0.06 0.00 0.58 0.54 0.00 0.00 0.00 179.25 180.43 1rhx n ARG 58 N -2.88 2.11 -3.91 0.00 5.12 0.24 -4.86 116.66 112.48 1rhx n ARG 58 Ca -0.00 -2.33 -0.26 0.00 -1.93 0.00 0.00 57.85 53.33 1rhx n ARG 58 Cb 0.20 -1.91 -0.01 0.00 -1.16 0.00 0.00 32.46 29.58 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 -0.46 -0.32 3.24 -0.13 0.00 -1.19 -5.02 105.19 101.31 1rhx n GLY 59 Ca 0.45 0.18 -0.24 0.00 0.00 0.00 0.00 46.02 46.42 1rhx n GLY 59 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1rhx n TYR 60 N -4.38 0.05 -4.33 1.61 4.01 -1.23 -5.08 117.16 107.82 1rhx n TYR 60 Ca -0.28 -2.56 -0.17 0.00 -0.16 0.00 0.00 57.90 54.73 1rhx n TYR 60 Cb 0.67 0.02 -0.10 0.00 -0.31 0.00 0.00 39.34 39.63 1rhx n TYR 60 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1rhx s SER 61 N -3.41 2.26 0.12 7.72 0.15 -1.26 -4.63 113.70 114.65 1rhx s SER 61 Ca 0.22 -1.08 -0.16 0.00 0.70 0.00 0.00 55.95 55.64 1rhx s SER 61 Cb 0.01 -0.08 -0.02 0.00 -1.71 0.00 0.00 66.02 64.22 1rhx s SER 61 CO 0.15 -0.30 1.62 -0.33 1.20 0.00 0.00 173.24 175.59 1rhx h GLU 62 N 2.56 0.63 0.00 5.44 5.08 -1.97 -2.03 114.58 124.28 1rhx h GLU 62 Ca -0.38 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 57.83 1rhx h GLU 62 Cb 1.21 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1rhx h GLU 62 CO 0.64 0.66 0.00 0.39 -1.00 0.00 0.00 179.01 179.69 1rhx n GLU 63 N -4.57 0.97 0.10 2.33 1.02 -1.26 -2.43 120.64 116.80 1rhx n GLU 63 Ca -0.01 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.26 1rhx n GLU 63 Cb 0.21 -1.39 0.27 0.00 -0.02 0.00 0.00 31.44 30.51 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 -3.34 1.62 3.32 -1.78 -3.46 116.42 112.79 1rhx h ASP 64 Ca 0.00 -0.08 -0.56 0.00 0.02 0.00 0.00 57.03 56.41 1rhx h ASP 64 Cb 0.00 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.50 1rhx h ASP 64 CO 0.00 0.04 0.31 -0.55 -1.72 0.00 0.00 179.24 177.32 1rhx s SER 65 N -4.65 7.07 -0.35 6.45 0.15 -1.02 -4.82 113.70 116.53 1rhx s SER 65 Ca 0.08 1.30 -0.00 0.00 0.70 0.00 0.00 55.95 58.03 1rhx s SER 65 Cb 0.12 -2.47 0.30 0.00 -1.71 0.00 0.00 66.02 62.26 1rhx s SER 65 CO 0.66 -0.29 1.88 2.29 1.20 0.00 0.00 173.24 178.98 1rhx n LYS 66 N 4.52 1.91 -3.59 5.44 2.85 -0.45 -4.85 118.16 124.00 1rhx n LYS 66 Ca 0.03 -1.88 -0.11 0.00 -1.05 0.00 0.00 58.31 55.30 1rhx n LYS 66 Cb 0.50 -1.74 -0.04 0.00 -0.65 0.00 0.00 35.03 33.10 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 -2.56 0.05 -0.13 0.58 -7.23 -1.26 -4.92 120.40 104.92 1rhx s VAL 67 Ca 0.37 -0.44 -0.29 0.00 -1.81 0.00 0.00 61.98 59.80 1rhx s VAL 67 Cb 0.29 -1.12 -0.03 0.00 0.56 0.00 0.00 36.38 36.08 1rhx s VAL 67 CO 0.02 -0.25 1.53 -2.16 -0.31 0.00 0.00 175.10 173.93 1rhx s PRO 68 N -3.68 4.09 -0.50 4.82 0.04 -1.26 -4.77 135.00 133.73 1rhx s PRO 68 Ca 0.02 1.88 -0.29 0.00 0.04 0.00 0.00 61.00 62.66 1rhx s PRO 68 Cb 0.01 -3.94 0.03 0.00 0.04 0.00 0.00 34.50 30.64 1rhx s PRO 68 CO -0.11 -0.93 1.17 -0.51 0.04 0.00 0.00 177.00 176.65 1rhx s LEU 69 N 4.20 3.58 0.45 -3.56 1.43 -1.26 -1.38 118.68 122.14 1rhx s LEU 69 Ca 0.67 0.39 0.07 0.00 -1.03 0.00 0.00 54.13 54.24 1rhx s LEU 69 Cb -0.28 -3.45 -0.01 0.00 0.03 0.00 0.00 46.19 42.48 1rhx s LEU 69 CO 0.25 -1.33 0.34 0.27 0.23 0.00 0.00 176.35 176.11 1rhx s ILE 70 N 4.65 2.34 0.64 -0.59 -4.36 0.03 -4.74 121.20 119.17 1rhx s ILE 70 Ca 0.47 -1.46 -0.11 0.00 -0.26 0.00 0.00 60.65 59.30 1rhx s ILE 70 Cb -0.07 -2.80 -0.02 0.00 1.25 0.00 0.00 42.46 40.82 1rhx s ILE 70 CO 0.30 0.00 1.04 0.42 0.24 0.00 0.00 174.94 176.94 1rhx s THR 71 N -2.57 4.27 0.52 8.37 -4.23 -1.26 -0.63 115.64 120.10 1rhx s THR 71 Ca 0.43 0.68 0.29 0.00 -1.18 0.00 0.00 61.69 61.92 1rhx s THR 71 Cb -0.01 -3.72 0.47 0.00 1.34 0.00 0.00 72.50 70.57 1rhx s THR 71 CO 0.25 -0.94 1.89 1.88 -0.54 0.00 0.00 174.62 177.17 1rhx h TYR 72 N -0.40 0.07 0.02 3.99 0.05 -1.95 -2.33 116.97 116.42 1rhx h TYR 72 Ca -0.45 0.00 -0.33 0.00 0.05 0.00 0.00 58.73 58.00 1rhx h TYR 72 Cb 1.21 -0.02 -0.05 0.00 1.01 0.00 0.00 36.73 38.88 1rhx h TYR 72 CO 0.60 0.02 -2.01 -1.13 -1.05 0.00 0.00 178.16 174.58 1rhx n SER 73 N -4.31 0.87 -0.37 3.88 3.41 -1.26 -3.59 113.62 112.26 1rhx n SER 73 Ca 0.18 0.22 0.06 0.00 -0.26 0.00 0.00 58.87 59.08 1rhx n SER 73 Cb 0.91 0.11 0.22 0.00 -0.26 0.00 0.00 64.21 65.20 1rhx n SER 73 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1rhx h GLU 74 N 0.01 1.01 0.25 4.33 5.08 -1.84 -0.98 114.58 122.44 1rhx h GLU 74 Ca -0.41 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 57.90 1rhx h GLU 74 Cb 2.08 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 31.07 1rhx h GLU 74 CO 0.05 0.67 -0.30 0.35 -1.00 0.00 0.00 179.01 178.78 1rhx h PHE 75 N 1.04 -0.81 -0.81 4.33 3.57 -1.52 -2.11 116.94 120.63 1rhx h PHE 75 Ca 0.48 0.01 0.07 0.00 3.53 0.00 0.00 57.97 62.06 1rhx h PHE 75 Cb 0.42 0.32 -0.06 0.00 2.79 0.00 0.00 35.95 39.41 1rhx h PHE 75 CO -0.00 -0.42 0.48 0.82 -2.23 0.00 0.00 178.31 176.96 1rhx h ILE 76 N -0.60 0.99 0.00 1.41 1.08 -1.44 -1.46 117.51 117.48 1rhx h ILE 76 Ca -0.00 -0.29 -0.05 0.00 -0.39 0.00 0.00 64.86 64.12 1rhx h ILE 76 Cb 0.57 0.05 -0.01 0.00 -3.07 0.00 0.00 36.82 34.36 1rhx h ILE 76 CO -0.09 0.16 -0.24 -0.78 -0.69 0.00 0.00 178.15 176.51 1rhx h ASP 77 N 0.86 0.00 0.78 1.72 3.58 -1.01 -1.01 116.42 121.34 1rhx h ASP 77 Ca 0.37 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.82 1rhx h ASP 77 Cb 0.24 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.29 1rhx h ASP 77 CO -0.20 0.24 0.00 0.18 -2.88 0.00 0.00 179.24 176.58 1rhx n LEU 78 N -4.18 0.01 0.00 2.28 4.77 -0.56 -4.32 117.00 115.00 1rhx n LEU 78 Ca -0.02 0.50 0.00 0.00 -0.03 0.00 0.00 56.01 56.46 1rhx n LEU 78 Cb 0.30 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 1rhx n LEU 78 CO 0.37 -0.12 0.00 0.18 -1.33 0.00 0.00 177.39 176.49 1rhx n LEU 79 N -1.51 0.00 -2.37 2.23 4.77 -0.40 -4.92 117.00 114.80 1rhx n LEU 79 Ca 0.05 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.96 1rhx n LEU 79 Cb 0.26 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 1rhx n LEU 79 CO 0.21 0.00 -0.07 -0.62 -1.33 0.00 0.00 177.39 175.58 1rhx n GLU 80 N 0.00 -0.42 0.00 3.23 -0.58 -1.12 -3.26 120.64 118.49 1rhx n GLU 80 Ca 0.00 0.25 0.00 0.00 -0.42 0.00 0.00 57.16 56.99 1rhx n GLU 80 Cb 0.00 -0.53 0.00 0.00 -0.57 0.00 0.00 31.44 30.34 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 -0.51 1.05 2.39 0.62 0.00 -1.26 -5.06 105.19 102.42 1rhx n GLY 81 Ca -0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.70 1rhx n GLY 81 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1rhx n GLU 82 N -0.13 0.79 -1.32 1.61 0.28 -1.20 -5.02 120.64 115.66 1rhx n GLU 82 Ca 0.00 -3.49 -0.23 0.00 -0.16 0.00 0.00 57.16 53.28 1rhx n GLU 82 Cb 0.00 -1.64 -0.07 0.00 1.43 0.00 0.00 31.44 31.16 1rhx n GLU 82 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1rhx n GLU 83 N 2.04 2.23 -1.98 3.44 1.02 -1.26 -4.57 120.64 121.57 1rhx n GLU 83 Ca 0.26 -1.97 -0.05 0.00 -0.02 0.00 0.00 57.16 55.37 1rhx n GLU 83 Cb 0.47 -2.04 0.06 0.00 -0.02 0.00 0.00 31.44 29.92 1rhx n GLU 83 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1rhx n LYS 84 N 1.13 1.94 0.00 3.49 5.02 -1.26 -4.81 118.16 123.66 1rhx n LYS 84 Ca 0.45 -3.39 0.00 0.00 -2.02 0.00 0.00 58.31 53.35 1rhx n LYS 84 Cb 0.62 -1.51 0.00 0.00 -0.02 0.00 0.00 35.03 34.13 1rhx n LYS 84 CO 0.00 0.00 0.00 1.97 -0.52 0.00 0.00 177.40 178.85 1rhx n PHE 85 N -0.51 0.00 -4.21 2.13 1.16 -1.26 -4.80 117.46 109.97 1rhx n PHE 85 Ca 0.20 0.00 -0.17 0.00 -1.87 0.00 0.00 57.45 55.61 1rhx n PHE 85 Cb 0.90 0.00 -0.03 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 -1.05 1.97 2.08 -1.19 -4.57 119.36 116.60 1rhx n ILE 86 Ca 0.00 -1.27 0.00 0.00 0.56 0.00 0.00 62.75 62.04 1rhx n ILE 86 Cb 0.00 0.12 0.00 0.00 -0.75 0.00 0.00 39.64 39.01 1rhx n ILE 86 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72