#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 -0.32 -0.34 3.04 0.00 -1.26 -5.10 121.76 117.78 1rhx s ALA 2 Ca 0.00 0.74 -0.01 0.00 0.00 0.00 0.00 51.96 52.69 1rhx s ALA 2 Cb 0.00 -0.56 0.12 0.00 0.00 0.00 0.00 23.12 22.68 1rhx s ALA 2 CO 0.00 -0.23 0.16 -0.51 0.00 0.00 0.00 175.76 175.17 1rhx s LEU 3 N 1.38 1.56 -0.45 0.00 1.43 -1.26 -4.99 118.68 116.35 1rhx s LEU 3 Ca -0.07 -1.85 0.04 0.00 -1.03 0.00 0.00 54.13 51.22 1rhx s LEU 3 Cb -0.11 -0.64 0.47 0.00 0.03 0.00 0.00 46.19 45.93 1rhx s LEU 3 CO -0.07 -0.37 1.59 1.33 0.23 0.00 0.00 176.35 179.06 1rhx n VAL 4 N 4.54 3.00 -3.65 -1.59 0.24 -1.25 -3.80 118.33 115.81 1rhx n VAL 4 Ca 0.02 -3.44 -0.07 0.00 -2.04 0.00 0.00 64.34 58.81 1rhx n VAL 4 Cb 0.39 -1.02 -0.07 0.00 -1.47 0.00 0.00 33.84 31.67 1rhx n VAL 4 CO 0.00 0.00 0.00 -1.48 -2.14 0.00 0.00 176.83 173.21 1rhx s LEU 5 N -3.64 -0.85 -0.41 1.34 0.05 -0.41 -3.73 118.68 111.03 1rhx s LEU 5 Ca 0.56 1.45 0.10 0.00 0.05 0.00 0.00 54.13 56.28 1rhx s LEU 5 Cb 0.45 2.27 0.36 0.00 -2.05 0.00 0.00 46.19 47.22 1rhx s LEU 5 CO 0.02 -0.23 1.09 0.55 -0.55 0.00 0.00 176.35 177.22 1rhx n VAL 6 N 4.33 0.10 -1.70 1.48 3.14 -1.26 -4.67 118.33 119.75 1rhx n VAL 6 Ca -0.20 -2.29 -0.19 0.00 -2.96 0.00 0.00 64.34 58.69 1rhx n VAL 6 Cb 0.58 0.91 0.09 0.00 -1.06 0.00 0.00 33.84 34.37 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 0.02 2.81 -2.22 1.45 2.85 -1.26 -2.42 118.16 119.38 1rhx n LYS 7 Ca 0.07 -3.67 -0.01 0.00 -1.05 0.00 0.00 58.31 53.65 1rhx n LYS 7 Cb 0.75 -2.11 0.05 0.00 -0.65 0.00 0.00 35.03 33.07 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 -0.26 0.00 5.58 9.36 -1.26 -4.16 117.16 125.53 1rhx n TYR 8 Ca 0.43 -1.42 0.00 0.00 3.32 0.00 0.00 57.90 60.23 1rhx n TYR 8 Cb 0.91 0.49 0.00 0.00 -0.63 0.00 0.00 39.34 40.12 1rhx n TYR 8 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1rhx n GLY 9 N -0.61 1.29 3.49 2.98 0.00 -1.16 -4.57 105.19 106.60 1rhx n GLY 9 Ca -0.07 0.46 -0.43 0.00 0.00 0.00 0.00 46.02 45.97 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 4.69 -0.27 2.61 -4.23 -1.26 -4.22 115.64 112.96 1rhx s THR 10 Ca 0.00 -2.03 0.15 0.00 -1.18 0.00 0.00 61.69 58.62 1rhx s THR 10 Cb 0.00 -4.93 0.39 0.00 1.34 0.00 0.00 72.50 69.30 1rhx s THR 10 CO 0.00 -1.68 1.36 -0.67 -0.54 0.00 0.00 174.62 173.09 1rhx n ASP 11 N 6.66 -0.53 -3.81 3.99 2.03 -1.26 -5.16 116.55 118.48 1rhx n ASP 11 Ca 0.35 -2.14 -0.05 0.00 0.52 0.00 0.00 54.79 53.47 1rhx n ASP 11 Cb 0.46 0.30 -0.02 0.00 -0.72 0.00 0.00 41.12 41.15 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 -0.89 -0.16 0.62 -0.67 -3.43 -1.26 -4.85 115.29 104.65 1rhx s HIS 12 Ca 0.14 -0.23 -0.15 0.00 -0.80 0.00 0.00 55.06 54.01 1rhx s HIS 12 Cb 0.37 0.68 -0.02 0.00 -1.43 0.00 0.00 32.58 32.17 1rhx s HIS 12 CO -0.09 -1.05 1.08 -1.25 -2.00 0.00 0.00 174.74 171.42 1rhx s PRO 13 N -3.62 3.11 0.00 -0.38 0.04 -1.26 -4.10 135.00 128.79 1rhx s PRO 13 Ca 0.12 1.26 0.00 0.00 0.04 0.00 0.00 61.00 62.41 1rhx s PRO 13 Cb -0.04 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.50 1rhx s PRO 13 CO 0.05 -0.98 0.00 0.28 0.04 0.00 0.00 177.00 176.38 1rhx n VAL 14 N -2.23 0.00 -1.27 -0.36 0.31 -1.26 -4.79 118.33 108.74 1rhx n VAL 14 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 1rhx n VAL 14 Cb 0.53 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.46 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 0.00 0.00 5.55 1.02 -1.26 -1.38 120.64 124.57 1rhx n GLU 15 Ca 0.00 -0.35 0.00 0.00 -0.02 0.00 0.00 57.16 56.79 1rhx n GLU 15 Cb 0.00 -0.37 0.00 0.00 -0.02 0.00 0.00 31.44 31.05 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 0.00 0.00 -0.05 3.49 3.00 -1.26 -4.66 118.16 118.67 1rhx n LYS 16 Ca 0.00 0.00 0.19 0.00 -0.00 0.00 0.00 58.31 58.50 1rhx n LYS 16 Cb 0.49 0.00 0.63 0.00 0.00 0.00 0.00 35.03 36.15 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 0.12 -0.63 3.14 7.12 -1.91 0.21 115.31 123.36 1rhx h LEU 17 Ca 0.00 0.01 0.13 0.00 0.13 0.00 0.00 57.88 58.14 1rhx h LEU 17 Cb 0.00 -0.02 -0.12 0.00 -0.53 0.00 0.00 40.66 39.99 1rhx h LEU 17 CO 0.00 0.07 -0.19 0.07 -0.13 0.00 0.00 178.44 178.26 1rhx h LYS 18 N 0.13 -0.03 -0.43 1.25 5.09 -1.83 -1.23 116.57 119.53 1rhx h LYS 18 Ca 0.29 0.00 -0.02 0.00 0.09 0.00 0.00 60.65 61.01 1rhx h LYS 18 Cb 0.96 0.01 -0.02 0.00 0.10 0.00 0.00 32.23 33.27 1rhx h LYS 18 CO -0.04 -0.02 0.18 0.82 -2.09 0.00 0.00 179.45 178.30 1rhx h ILE 19 N -0.03 1.16 -0.09 0.07 2.04 -0.87 0.11 117.51 119.90 1rhx h ILE 19 Ca 0.30 -0.50 -0.21 0.00 1.00 0.00 0.00 64.86 65.45 1rhx h ILE 19 Cb 0.49 0.65 0.01 0.00 -0.74 0.00 0.00 36.82 37.23 1rhx h ILE 19 CO -0.67 0.20 -0.75 0.03 0.00 0.00 0.00 178.15 176.96 1rhx h ARG 20 N 0.61 0.67 -1.61 2.37 -0.00 -1.34 -3.42 114.38 111.66 1rhx h ARG 20 Ca 0.15 -0.60 -0.31 0.00 -0.50 0.00 0.00 59.98 58.72 1rhx h ARG 20 Cb 0.12 0.14 -0.26 0.00 0.00 0.00 0.00 29.97 29.97 1rhx h ARG 20 CO -0.02 1.21 -0.66 0.45 0.00 0.00 0.00 179.97 180.95 1rhx s SER 21 N -7.01 0.01 0.00 7.04 0.15 -0.56 -5.12 113.70 108.21 1rhx s SER 21 Ca -0.11 -1.88 0.00 0.00 0.70 0.00 0.00 55.95 54.66 1rhx s SER 21 Cb 0.07 0.95 0.00 0.00 -1.71 0.00 0.00 66.02 65.33 1rhx s SER 21 CO 0.88 -0.16 0.00 0.00 1.20 0.00 0.00 173.24 175.16 1rhx n ALA 22 N 3.51 0.00 -3.21 5.45 0.00 0.32 -4.47 120.51 122.12 1rhx n ALA 22 Ca 0.18 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.58 1rhx n ALA 22 Cb 0.51 0.00 -0.01 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 -0.14 0.09 -0.23 0.00 3.00 -1.26 -4.75 118.16 114.87 1rhx n LYS 23 Ca 0.00 -0.55 -0.02 0.00 -0.00 0.00 0.00 58.31 57.74 1rhx n LYS 23 Cb 0.00 0.48 0.18 0.00 0.00 0.00 0.00 35.03 35.69 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 1.29 -0.10 3.14 0.00 -1.98 -3.26 119.26 119.68 1rhx h ALA 24 Ca -0.04 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 1rhx h ALA 24 Cb 0.21 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1rhx h ALA 24 CO 0.06 0.57 0.08 -1.91 0.00 0.00 0.00 179.25 178.05 1rhx n GLU 25 N -4.35 1.16 -4.42 0.00 2.13 -1.26 -3.73 120.64 110.17 1rhx n GLU 25 Ca 0.07 -0.31 -0.25 0.00 0.66 0.00 0.00 57.16 57.34 1rhx n GLU 25 Cb 0.11 -1.12 -0.09 0.00 0.27 0.00 0.00 31.44 30.61 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 1.52 3.95 -0.02 4.31 2.15 -1.23 -5.08 116.67 122.27 1rhx s ASP 26 Ca 0.06 -1.03 -0.01 0.00 0.43 0.00 0.00 52.55 52.00 1rhx s ASP 26 Cb 0.05 -0.46 0.02 0.00 -0.30 0.00 0.00 42.92 42.23 1rhx s ASP 26 CO 0.00 -0.14 0.05 -0.54 -0.17 0.00 0.00 175.17 174.37 1rhx s LYS 27 N -3.63 0.03 0.11 4.34 3.01 -1.26 -2.74 119.74 119.59 1rhx s LYS 27 Ca 0.33 0.14 -0.22 0.00 -1.01 0.00 0.00 55.97 55.21 1rhx s LYS 27 Cb -0.01 -0.09 0.06 0.00 -1.01 0.00 0.00 37.83 36.78 1rhx s LYS 27 CO 0.18 -0.08 0.54 0.42 0.51 0.00 0.00 175.35 176.92 1rhx s ILE 28 N 0.50 0.02 0.02 2.17 1.01 -0.94 -4.83 121.20 119.16 1rhx s ILE 28 Ca -0.04 -0.19 -0.10 0.00 0.00 0.00 0.00 60.65 60.32 1rhx s ILE 28 Cb -0.06 -1.03 0.01 0.00 0.01 0.00 0.00 42.46 41.39 1rhx s ILE 28 CO -0.02 -0.11 0.20 -0.69 0.00 0.00 0.00 174.94 174.33 1rhx s VAL 29 N -3.30 0.09 0.01 2.92 1.01 -1.26 -3.66 120.40 116.22 1rhx s VAL 29 Ca -0.01 -0.78 0.03 0.00 0.00 0.00 0.00 61.98 61.22 1rhx s VAL 29 Cb -0.00 -0.76 -0.04 0.00 0.00 0.00 0.00 36.38 35.58 1rhx s VAL 29 CO -0.09 -0.43 -0.02 -0.76 0.00 0.00 0.00 175.10 173.80 1rhx s LEU 30 N -1.82 3.39 0.00 3.92 1.43 -0.60 -4.75 118.68 120.25 1rhx s LEU 30 Ca -0.09 -0.08 0.02 0.00 -1.03 0.00 0.00 54.13 52.96 1rhx s LEU 30 Cb -0.03 -1.97 -0.01 0.00 0.03 0.00 0.00 46.19 44.21 1rhx s LEU 30 CO -0.01 0.27 0.08 2.30 0.23 0.00 0.00 176.35 179.21 1rhx n ILE 31 N 1.32 0.00 0.00 -0.59 -5.35 -1.18 -0.66 119.36 112.91 1rhx n ILE 31 Ca -0.14 -1.56 0.00 0.00 -0.27 0.00 0.00 62.75 60.78 1rhx n ILE 31 Cb 0.53 0.53 0.00 0.00 -1.74 0.00 0.00 39.64 38.95 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 -0.63 0.00 0.02 6.28 1.13 -1.26 0.03 117.38 122.95 1rhx n GLN 32 Ca -0.05 0.00 0.09 0.00 -1.94 0.00 0.00 57.00 55.09 1rhx n GLN 32 Cb 0.40 0.00 -0.11 0.00 0.11 0.00 0.00 30.24 30.64 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 0.81 0.31 0.11 1.08 3.02 -1.26 -4.11 115.26 115.23 1rhx n ASN 33 Ca 0.00 0.12 0.16 0.00 -0.03 0.00 0.00 54.58 54.84 1rhx n ASN 33 Cb 0.00 1.33 0.48 0.00 -0.61 0.00 0.00 39.78 40.98 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 3.98 0.00 0.55 7.41 0.00 -0.05 -1.73 103.07 113.22 1rhx h GLY 34 Ca -0.06 0.00 0.14 0.00 0.00 0.00 0.00 47.33 47.41 1rhx h GLY 34 CO 0.01 0.00 0.59 -0.39 0.00 0.00 0.00 176.54 176.75 1rhx h VAL 35 N 0.00 0.26 -0.91 4.60 -1.51 -1.40 -0.58 116.25 116.71 1rhx h VAL 35 Ca 0.19 0.00 0.25 0.00 -1.23 0.00 0.00 66.70 65.92 1rhx h VAL 35 Cb 1.79 0.52 -0.04 0.00 -2.13 0.00 0.00 31.29 31.42 1rhx h VAL 35 CO -0.00 0.00 0.64 -0.26 -1.23 0.00 0.00 177.57 176.72 1rhx h PHE 36 N 0.00 0.12 0.00 5.19 -1.00 -1.64 -1.45 116.94 118.16 1rhx h PHE 36 Ca 0.23 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.01 1rhx h PHE 36 Cb 1.41 -0.03 0.00 0.00 3.61 0.00 0.00 35.95 40.94 1rhx h PHE 36 CO 0.00 0.02 0.00 -1.49 -1.61 0.00 0.00 178.31 175.23 1rhx h TRP 37 N 0.08 0.00 -0.50 -0.55 4.06 -1.37 -2.63 115.95 115.04 1rhx h TRP 37 Ca 0.44 0.00 -0.34 0.00 2.06 0.00 0.00 58.89 61.05 1rhx h TRP 37 Cb 1.63 0.00 -0.15 0.00 -1.00 0.00 0.00 29.16 29.65 1rhx h TRP 37 CO -0.00 0.00 0.44 0.00 -3.56 0.00 0.00 178.44 175.32 1rhx n ALA 38 N -1.98 5.15 -2.45 1.49 0.00 -0.55 -3.95 120.51 118.22 1rhx n ALA 38 Ca -0.01 -1.75 -0.01 0.00 0.00 0.00 0.00 53.44 51.67 1rhx n ALA 38 Cb 0.14 -1.39 0.04 0.00 0.00 0.00 0.00 19.45 18.24 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 0.26 -0.48 0.00 0.00 -0.00 -0.99 -1.02 117.00 114.78 1rhx n LEU 39 Ca 0.32 -1.62 0.00 0.00 -0.00 0.00 0.00 56.01 54.71 1rhx n LEU 39 Cb 0.60 0.61 0.00 0.00 -0.00 0.00 0.00 43.42 44.63 1rhx n LEU 39 CO 0.40 1.19 0.00 -0.62 -0.00 0.00 0.00 177.39 178.36 1rhx n GLU 40 N -0.46 2.02 -2.15 1.47 -0.58 -1.25 -5.06 120.64 114.63 1rhx n GLU 40 Ca -0.06 0.00 -0.31 0.00 -0.42 0.00 0.00 57.16 56.36 1rhx n GLU 40 Cb 0.60 0.00 0.02 0.00 -0.57 0.00 0.00 31.44 31.49 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 -0.47 3.19 0.00 3.49 0.00 -1.26 -4.97 120.64 120.62 1rhx n GLU 41 Ca 0.00 -4.06 0.00 0.00 0.00 0.00 0.00 57.16 53.10 1rhx n GLU 41 Cb 0.00 -2.26 0.00 0.00 0.00 0.00 0.00 31.44 29.18 1rhx n GLU 41 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1rhx n LEU 42 N -0.57 0.00 0.00 -1.84 4.77 -1.26 -5.13 117.00 112.97 1rhx n LEU 42 Ca 0.46 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 56.38 1rhx n LEU 42 Cb 0.58 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.69 1rhx n LEU 42 CO 0.43 0.00 0.45 -1.84 -1.33 0.00 0.00 177.39 175.11 1rhx n GLU 43 N 0.00 0.84 -4.31 3.23 0.28 -1.26 -5.02 120.64 114.41 1rhx n GLU 43 Ca 0.00 -1.68 -0.21 0.00 -0.16 0.00 0.00 57.16 55.11 1rhx n GLU 43 Cb 0.00 2.11 -0.13 0.00 1.43 0.00 0.00 31.44 34.85 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 -2.27 1.33 -1.90 3.84 -1.32 -0.48 -4.23 115.64 110.61 1rhx s THR 44 Ca 0.13 -1.26 0.25 0.00 -1.21 0.00 0.00 61.69 59.60 1rhx s THR 44 Cb -0.04 -1.22 0.67 0.00 -1.51 0.00 0.00 72.50 70.40 1rhx s THR 44 CO 0.09 -0.07 1.86 -0.81 -2.21 0.00 0.00 174.62 173.48 1rhx n PRO 45 N 1.48 0.71 -1.72 7.08 -0.04 -1.26 -4.86 135.00 136.38 1rhx n PRO 45 Ca -0.19 0.01 -0.29 0.00 -0.04 0.00 0.00 63.50 62.98 1rhx n PRO 45 Cb 0.54 -1.50 0.16 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 -2.10 2.03 -0.15 0.55 0.00 -1.24 -4.51 121.76 116.33 1rhx s ALA 46 Ca 0.35 -0.87 -0.29 0.00 0.00 0.00 0.00 51.96 51.15 1rhx s ALA 46 Cb 0.17 -2.90 -0.01 0.00 0.00 0.00 0.00 23.12 20.39 1rhx s ALA 46 CO 0.31 -2.35 1.05 -1.59 0.00 0.00 0.00 175.76 173.17 1rhx s LYS 47 N -5.61 4.35 0.13 0.00 -2.85 -1.11 -5.01 119.74 109.65 1rhx s LYS 47 Ca 0.68 1.42 0.10 0.00 -1.00 0.00 0.00 55.97 57.17 1rhx s LYS 47 Cb -0.09 -3.59 -0.04 0.00 -2.06 0.00 0.00 37.83 32.05 1rhx s LYS 47 CO 0.52 -0.45 -0.22 0.14 0.10 0.00 0.00 175.35 175.44 1rhx s VAL 48 N 2.50 2.58 0.17 1.79 -7.23 -1.26 -2.21 120.40 116.74 1rhx s VAL 48 Ca 0.48 -1.64 -0.20 0.00 -1.81 0.00 0.00 61.98 58.81 1rhx s VAL 48 Cb -0.18 -2.17 0.05 0.00 0.56 0.00 0.00 36.38 34.64 1rhx s VAL 48 CO 0.14 0.08 0.55 -0.31 -0.31 0.00 0.00 175.10 175.25 1rhx s TYR 49 N -1.14 -0.34 0.18 2.82 2.02 -1.24 -4.39 117.35 115.25 1rhx s TYR 49 Ca 0.17 0.05 0.06 0.00 -0.37 0.00 0.00 57.07 56.98 1rhx s TYR 49 Cb -0.10 0.47 -0.05 0.00 -0.40 0.00 0.00 41.96 41.88 1rhx s TYR 49 CO 0.08 -0.87 -0.12 0.00 -1.57 0.00 0.00 175.55 173.08 1rhx s ALA 50 N -3.81 1.73 -0.26 3.71 0.00 -0.96 -1.55 121.76 120.63 1rhx s ALA 50 Ca 0.04 -1.58 -0.29 0.00 0.00 0.00 0.00 51.96 50.13 1rhx s ALA 50 Cb -0.01 0.00 0.01 0.00 0.00 0.00 0.00 23.12 23.12 1rhx s ALA 50 CO -0.09 -0.03 1.10 0.42 0.00 0.00 0.00 175.76 177.17 1rhx s ILE 51 N -3.16 4.52 0.09 0.00 -1.09 0.17 -1.29 121.20 120.44 1rhx s ILE 51 Ca 0.20 1.80 -0.27 0.00 -2.23 0.00 0.00 60.65 60.15 1rhx s ILE 51 Cb 0.01 -4.30 -0.14 0.00 -1.58 0.00 0.00 42.46 36.45 1rhx s ILE 51 CO 0.04 -0.31 1.68 0.50 -1.23 0.00 0.00 174.94 175.62 1rhx h LYS 52 N 7.94 -0.40 -0.79 2.79 3.64 -1.30 -0.87 116.57 127.58 1rhx h LYS 52 Ca -0.21 0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.20 1rhx h LYS 52 Cb 1.07 0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.94 1rhx h LYS 52 CO 1.00 -0.27 0.52 0.22 -2.27 0.00 0.00 179.45 178.66 1rhx h ASP 53 N -0.42 0.90 -0.20 4.20 3.58 -1.92 0.82 116.42 123.38 1rhx h ASP 53 Ca -0.02 -0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.40 1rhx h ASP 53 Cb 0.36 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.17 1rhx h ASP 53 CO 0.01 0.65 0.08 0.44 -2.88 0.00 0.00 179.24 177.54 1rhx h ASP 54 N 1.07 0.27 -0.53 2.28 3.32 -1.88 0.69 116.42 121.64 1rhx h ASP 54 Ca 0.29 -0.17 0.06 0.00 0.02 0.00 0.00 57.03 57.24 1rhx h ASP 54 Cb -0.12 -0.07 -0.05 0.00 0.22 0.00 0.00 39.33 39.30 1rhx h ASP 54 CO -0.06 0.37 0.23 0.15 -1.72 0.00 0.00 179.24 178.20 1rhx h PHE 55 N 0.17 0.41 -0.42 4.55 3.04 0.32 -0.28 116.94 124.72 1rhx h PHE 55 Ca 0.07 0.02 -0.04 0.00 3.98 0.00 0.00 57.97 62.00 1rhx h PHE 55 Cb 0.18 -0.10 -0.02 0.00 2.56 0.00 0.00 35.95 38.57 1rhx h PHE 55 CO -0.01 0.16 0.09 -0.07 -2.02 0.00 0.00 178.31 176.46 1rhx h LEU 56 N 0.43 0.65 0.00 0.59 3.38 -0.85 -1.16 115.31 118.36 1rhx h LEU 56 Ca 0.25 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1rhx h LEU 56 Cb 0.23 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1rhx h LEU 56 CO -0.22 0.72 0.00 0.00 0.09 0.00 0.00 178.44 179.04 1rhx n ALA 57 N -2.36 1.87 -1.54 1.53 0.00 0.23 -2.17 120.51 118.08 1rhx n ALA 57 Ca -0.00 -0.07 -0.23 0.00 0.00 0.00 0.00 53.44 53.13 1rhx n ALA 57 Cb 0.22 -1.24 0.11 0.00 0.00 0.00 0.00 19.45 18.54 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 2.67 -3.41 0.00 0.00 -0.18 -4.95 116.66 109.56 1rhx n ARG 58 Ca 0.08 -3.47 -0.23 0.00 -0.00 0.00 0.00 57.85 54.23 1rhx n ARG 58 Cb 0.10 -2.16 -0.02 0.00 0.00 0.00 0.00 32.46 30.38 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 -0.95 -0.47 3.78 5.14 0.00 -0.92 -4.98 105.19 106.80 1rhx n GLY 59 Ca 0.50 0.07 -0.23 0.00 0.00 0.00 0.00 46.02 46.36 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 -2.81 2.65 0.53 1.61 2.02 -1.14 -5.07 117.35 115.14 1rhx s TYR 60 Ca 0.40 -0.53 0.01 0.00 -0.37 0.00 0.00 57.07 56.58 1rhx s TYR 60 Cb -0.22 -1.99 0.01 0.00 -0.40 0.00 0.00 41.96 39.36 1rhx s TYR 60 CO 0.49 0.11 0.05 0.45 -1.57 0.00 0.00 175.55 175.09 1rhx s SER 61 N -3.97 4.23 -0.02 2.29 0.15 -1.26 -4.38 113.70 110.74 1rhx s SER 61 Ca 0.43 -1.66 -0.20 0.00 0.70 0.00 0.00 55.95 55.22 1rhx s SER 61 Cb 0.01 0.68 -0.31 0.00 -1.71 0.00 0.00 66.02 64.69 1rhx s SER 61 CO 0.24 -0.96 0.96 -0.33 1.20 0.00 0.00 173.24 174.36 1rhx h GLU 62 N 1.20 0.39 0.00 5.44 5.08 -1.98 -3.23 114.58 121.48 1rhx h GLU 62 Ca -0.43 -0.60 0.00 0.00 -1.00 0.00 0.00 59.36 57.33 1rhx h GLU 62 Cb 1.33 0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.79 1rhx h GLU 62 CO 0.71 1.27 0.00 0.93 -1.00 0.00 0.00 179.01 180.92 1rhx h GLU 63 N -0.18 0.00 0.00 2.33 5.08 -1.98 -1.07 114.58 118.76 1rhx h GLU 63 Ca -0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1rhx h GLU 63 Cb 1.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.96 1rhx h GLU 63 CO 0.18 0.00 0.00 -0.25 -1.00 0.00 0.00 179.01 177.94 1rhx n ASP 64 N -2.70 0.00 -4.65 1.42 9.92 -1.22 -4.63 116.55 114.69 1rhx n ASP 64 Ca 0.01 0.06 -0.35 0.00 -0.53 0.00 0.00 54.79 53.98 1rhx n ASP 64 Cb 0.28 -0.32 -0.09 0.00 -0.64 0.00 0.00 41.12 40.35 1rhx n ASP 64 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 1rhx s SER 65 N -2.63 5.89 -0.29 -2.24 0.15 -0.41 -4.83 113.70 109.34 1rhx s SER 65 Ca 0.18 0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.94 1rhx s SER 65 Cb 0.14 -2.04 0.26 0.00 -1.71 0.00 0.00 66.02 62.67 1rhx s SER 65 CO 0.33 0.12 1.81 2.29 1.20 0.00 0.00 173.24 178.99 1rhx n LYS 66 N 3.92 1.76 -3.85 5.44 2.85 -0.19 -4.84 118.16 123.25 1rhx n LYS 66 Ca -0.16 -1.58 -0.09 0.00 -1.05 0.00 0.00 58.31 55.43 1rhx n LYS 66 Cb 0.52 -1.62 -0.07 0.00 -0.65 0.00 0.00 35.03 33.21 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 -2.12 0.11 -0.12 0.58 -7.23 -1.26 -4.97 120.40 105.38 1rhx s VAL 67 Ca 0.31 -1.15 -0.29 0.00 -1.81 0.00 0.00 61.98 59.03 1rhx s VAL 67 Cb 0.25 -1.45 -0.03 0.00 0.56 0.00 0.00 36.38 35.70 1rhx s VAL 67 CO 0.02 -0.51 1.49 -2.16 -0.31 0.00 0.00 175.10 173.62 1rhx s PRO 68 N -3.88 4.15 -0.44 4.82 0.05 -1.26 -4.78 135.00 133.65 1rhx s PRO 68 Ca 0.08 1.89 -0.28 0.00 0.05 0.00 0.00 61.00 62.74 1rhx s PRO 68 Cb 0.04 -3.90 0.03 0.00 0.05 0.00 0.00 34.50 30.71 1rhx s PRO 68 CO -0.08 -0.86 1.09 -0.51 0.05 0.00 0.00 177.00 176.69 1rhx s LEU 69 N 3.98 3.75 0.43 -3.56 1.43 -1.26 -2.25 118.68 121.20 1rhx s LEU 69 Ca 0.65 0.52 0.07 0.00 -1.03 0.00 0.00 54.13 54.34 1rhx s LEU 69 Cb -0.27 -3.48 -0.03 0.00 0.03 0.00 0.00 46.19 42.43 1rhx s LEU 69 CO 0.23 -1.15 0.29 0.27 0.23 0.00 0.00 176.35 176.23 1rhx s ILE 70 N 4.18 2.39 0.87 -0.59 -4.36 -0.41 -4.76 121.20 118.52 1rhx s ILE 70 Ca 0.46 -1.52 -0.14 0.00 -0.26 0.00 0.00 60.65 59.19 1rhx s ILE 70 Cb -0.09 -2.91 0.13 0.00 1.25 0.00 0.00 42.46 40.85 1rhx s ILE 70 CO 0.28 0.00 1.24 0.42 0.24 0.00 0.00 174.94 177.12 1rhx s THR 71 N -2.56 2.00 0.49 8.37 -4.23 -1.26 -0.86 115.64 117.59 1rhx s THR 71 Ca 0.43 -0.00 0.15 0.00 -1.18 0.00 0.00 61.69 61.10 1rhx s THR 71 Cb 0.00 -3.00 0.30 0.00 1.34 0.00 0.00 72.50 71.14 1rhx s THR 71 CO 0.25 0.00 2.09 1.88 -0.54 0.00 0.00 174.62 178.29 1rhx h TYR 72 N -1.30 0.16 0.05 3.99 0.05 -1.97 -2.81 116.97 115.14 1rhx h TYR 72 Ca -0.45 0.00 -0.29 0.00 0.05 0.00 0.00 58.73 58.04 1rhx h TYR 72 Cb 1.29 -0.05 -0.03 0.00 1.01 0.00 0.00 36.73 38.95 1rhx h TYR 72 CO -0.30 0.09 -1.60 0.66 -1.05 0.00 0.00 178.16 175.97 1rhx h SER 73 N 0.17 0.17 0.15 3.88 4.64 -2.00 -2.99 113.55 117.56 1rhx h SER 73 Ca 0.10 -0.29 -0.03 0.00 -0.47 0.00 0.00 61.79 61.11 1rhx h SER 73 Cb 0.21 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1rhx h SER 73 CO -0.02 1.25 -0.12 -0.33 -0.87 0.00 0.00 176.83 176.74 1rhx h GLU 74 N 0.03 0.00 0.47 4.77 5.08 -1.93 -1.60 114.58 121.40 1rhx h GLU 74 Ca -0.25 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.08 1rhx h GLU 74 Cb 1.98 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.24 1rhx h GLU 74 CO 0.11 0.12 -0.22 0.35 -1.00 0.00 0.00 179.01 178.37 1rhx h PHE 75 N 0.00 -0.58 -1.00 4.33 3.57 -1.52 -3.34 116.94 118.40 1rhx h PHE 75 Ca -0.00 -0.01 0.20 0.00 3.53 0.00 0.00 57.97 61.69 1rhx h PHE 75 Cb 0.23 0.19 -0.11 0.00 2.79 0.00 0.00 35.95 39.06 1rhx h PHE 75 CO 0.00 -0.27 0.61 0.82 -2.23 0.00 0.00 178.31 177.25 1rhx h ILE 76 N -0.88 0.68 -1.01 1.41 1.08 -1.15 0.11 117.51 117.76 1rhx h ILE 76 Ca -0.06 -0.24 0.23 0.00 -0.39 0.00 0.00 64.86 64.40 1rhx h ILE 76 Cb 0.58 -0.09 -0.10 0.00 -3.07 0.00 0.00 36.82 34.14 1rhx h ILE 76 CO 0.11 0.13 0.63 -0.78 -0.69 0.00 0.00 178.15 177.54 1rhx h ASP 77 N 0.70 0.61 0.73 1.72 1.82 -1.58 -1.26 116.42 119.16 1rhx h ASP 77 Ca 0.58 0.10 -0.08 0.00 -0.39 0.00 0.00 57.03 57.24 1rhx h ASP 77 Cb 0.99 -0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.98 1rhx h ASP 77 CO -0.37 0.16 -0.38 -0.07 -1.61 0.00 0.00 179.24 176.97 1rhx h LEU 78 N 0.56 0.00 0.00 2.28 3.38 -0.90 -3.37 115.31 117.25 1rhx h LEU 78 Ca 0.59 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.56 1rhx h LEU 78 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1rhx h LEU 78 CO -0.36 0.38 0.00 0.18 0.09 0.00 0.00 178.44 178.73 1rhx n LEU 79 N -3.63 0.93 -2.10 1.67 7.99 -0.48 -4.72 117.00 116.66 1rhx n LEU 79 Ca -0.01 0.00 -0.08 0.00 -0.01 0.00 0.00 56.01 55.92 1rhx n LEU 79 Cb 0.49 0.00 -0.01 0.00 -0.11 0.00 0.00 43.42 43.78 1rhx n LEU 79 CO 0.37 0.00 -0.09 -0.62 -1.51 0.00 0.00 177.39 175.54 1rhx n GLU 80 N -0.16 -2.11 0.00 3.23 -0.58 -1.19 -1.03 120.64 118.80 1rhx n GLU 80 Ca 0.00 0.41 0.00 0.00 -0.42 0.00 0.00 57.16 57.15 1rhx n GLU 80 Cb 0.00 -4.85 0.00 0.00 -0.57 0.00 0.00 31.44 26.02 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 -0.54 1.15 2.68 0.62 0.00 -1.26 -5.06 105.19 102.79 1rhx n GLY 81 Ca -0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 1rhx n GLY 81 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1rhx n GLU 82 N 0.00 3.45 -1.94 1.61 -0.58 -0.20 -4.91 120.64 118.06 1rhx n GLU 82 Ca 0.00 -4.63 -0.34 0.00 -0.42 0.00 0.00 57.16 51.76 1rhx n GLU 82 Cb 0.00 -2.37 0.04 0.00 -0.57 0.00 0.00 31.44 28.54 1rhx n GLU 82 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 1rhx n GLU 83 N 0.98 2.99 -2.27 3.49 -0.00 -1.26 -4.42 120.64 120.15 1rhx n GLU 83 Ca 0.29 -3.78 -0.10 0.00 -0.00 0.00 0.00 57.16 53.57 1rhx n GLU 83 Cb 0.37 -2.27 0.04 0.00 -0.00 0.00 0.00 31.44 29.59 1rhx n GLU 83 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1rhx n LYS 84 N -0.62 2.45 -2.63 3.44 4.01 -1.26 -4.70 118.16 118.85 1rhx n LYS 84 Ca 0.51 -3.70 -0.05 0.00 -0.51 0.00 0.00 58.31 54.56 1rhx n LYS 84 Cb 0.50 -1.81 0.09 0.00 -0.51 0.00 0.00 35.03 33.30 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 -0.61 -1.93 -1.83 2.13 -1.74 -1.26 -4.12 117.46 108.10 1rhx n PHE 85 Ca 0.24 -1.59 -0.30 0.00 -0.56 0.00 0.00 57.45 55.24 1rhx n PHE 85 Cb 0.89 1.48 0.20 0.00 1.52 0.00 0.00 39.48 43.57 1rhx n PHE 85 CO 0.00 0.00 0.00 0.42 -0.56 0.00 0.00 176.76 176.62 1rhx s ILE 86 N 0.15 1.95 0.00 1.97 -1.09 -1.25 -4.41 121.20 118.51 1rhx s ILE 86 Ca 0.15 0.00 0.00 0.00 -2.23 0.00 0.00 60.65 58.57 1rhx s ILE 86 Cb 0.34 -2.94 0.00 0.00 -1.58 0.00 0.00 42.46 38.28 1rhx s ILE 86 CO -0.08 0.00 0.00 0.61 -1.23 0.00 0.00 174.94 174.24