#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1irh s PHE 2 N 0.00 3.22 0.11 -0.32 0.08 -1.26 -4.75 117.98 115.05 1irh s PHE 2 Ca 0.00 -1.30 0.00 0.00 0.12 0.00 0.00 56.93 55.75 1irh s PHE 2 Cb 0.00 -3.99 0.00 0.00 -0.57 0.00 0.00 43.02 38.46 1irh s PHE 2 CO 0.00 -1.23 0.00 1.58 -0.10 0.00 0.00 175.22 175.47 1irh n HIS 3 N 5.72 -0.65 -0.61 0.36 -0.00 -1.26 -5.10 115.22 113.68 1irh n HIS 3 Ca 0.01 0.11 0.00 0.00 0.46 0.00 0.00 57.72 58.30 1irh n HIS 3 Cb 0.44 0.22 0.00 0.00 -0.12 0.00 0.00 29.99 30.54 1irh n HIS 3 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1irh n GLY 4 N 2.59 1.03 1.56 1.57 0.00 -1.26 -5.06 105.19 105.60 1irh n GLY 4 Ca 0.00 -1.72 -0.15 0.00 0.00 0.00 0.00 46.02 44.15 1irh n GLY 4 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1irh n PRO 5 N 0.00 -3.31 -1.20 1.61 -0.04 -1.26 -4.99 135.00 125.80 1irh n PRO 5 Ca 0.00 -0.72 0.04 0.00 -0.04 0.00 0.00 63.50 62.78 1irh n PRO 5 Cb 0.00 -0.91 0.05 0.00 -0.04 0.00 0.00 33.50 32.59 1irh n PRO 5 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1irh n SER 6 N -4.35 1.02 -0.03 3.54 7.64 -1.26 -4.80 113.62 115.38 1irh n SER 6 Ca 0.07 -2.31 -0.00 0.00 1.01 0.00 0.00 58.87 57.63 1irh n SER 6 Cb 0.29 -0.33 -0.07 0.00 -1.01 0.00 0.00 64.21 63.09 1irh n SER 6 CO 0.00 0.00 0.00 -2.67 -3.01 0.00 0.00 175.04 169.36 1irh n TRP 7 N 0.14 0.00 0.12 1.43 4.27 -1.26 -4.37 117.44 117.78 1irh n TRP 7 Ca 0.07 0.00 0.07 0.00 -3.89 0.00 0.00 57.50 53.76 1irh n TRP 7 Cb 1.01 -0.34 0.02 0.00 -1.36 0.00 0.00 31.31 30.64 1irh n TRP 7 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1irh h LEU 9 N 0.00 0.00 -9.82 0.00 3.38 -1.87 -3.42 115.31 103.59 1irh h LEU 9 Ca -0.04 -0.02 -0.57 0.00 0.09 0.00 0.00 57.88 57.34 1irh h LEU 9 Cb 1.21 0.00 0.15 0.00 0.09 0.00 0.00 40.66 42.11 1irh h LEU 9 CO 0.02 0.01 0.22 1.07 0.09 0.00 0.00 178.44 179.86 1irh n THR 10 N -2.75 3.34 -0.63 0.22 5.66 -1.24 -4.80 114.28 114.08 1irh n THR 10 Ca 0.03 -0.50 -0.28 0.00 -3.05 0.00 0.00 64.05 60.25 1irh n THR 10 Cb 0.51 -1.25 0.25 0.00 -1.55 0.00 0.00 70.33 68.29 1irh n THR 10 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 1irh s PRO 11 N -2.57 -1.10 -0.47 1.09 0.05 -1.26 -4.86 135.00 125.88 1irh s PRO 11 Ca 0.71 0.64 -0.28 0.00 0.05 0.00 0.00 61.00 62.12 1irh s PRO 11 Cb -0.45 -1.55 -0.01 0.00 0.05 0.00 0.00 34.50 32.54 1irh s PRO 11 CO 0.50 -3.79 1.64 0.00 0.05 0.00 0.00 177.00 175.41 1irh s ALA 12 N -2.53 2.71 -0.30 8.56 0.00 -1.26 -4.95 121.76 124.00 1irh s ALA 12 Ca 0.68 -0.28 -0.29 0.00 0.00 0.00 0.00 51.96 52.07 1irh s ALA 12 Cb -0.22 -4.09 0.01 0.00 0.00 0.00 0.00 23.12 18.81 1irh s ALA 12 CO 0.63 -2.98 1.22 0.34 0.00 0.00 0.00 175.76 174.97 1irh s ASP 13 N 5.76 6.78 0.06 0.00 2.15 -1.26 -4.92 116.67 125.24 1irh s ASP 13 Ca 0.66 1.18 -0.23 0.00 0.43 0.00 0.00 52.55 54.59 1irh s ASP 13 Cb -0.15 -2.54 -0.15 0.00 -0.30 0.00 0.00 42.92 39.77 1irh s ASP 13 CO 0.28 -0.99 1.61 -0.09 -0.17 0.00 0.00 175.17 175.81 1irh h ARG 14 N 8.81 0.04 0.00 4.34 2.43 -1.93 -3.44 114.38 124.63 1irh h ARG 14 Ca -0.24 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.92 1irh h ARG 14 Cb 1.09 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 1irh h ARG 14 CO 1.03 0.16 0.00 0.41 -1.51 0.00 0.00 179.97 180.06 1irh n GLY 15 N -0.73 0.04 0.88 2.80 0.00 -1.26 -0.83 105.19 106.08 1irh n GLY 15 Ca -0.07 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.25 1irh n GLY 15 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1irh n LEU 16 N 0.00 0.06 -4.50 0.99 4.77 -1.23 -4.86 117.00 112.23 1irh n LEU 16 Ca 0.00 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.70 1irh n LEU 16 Cb 0.00 0.00 0.25 0.00 -2.33 0.00 0.00 43.42 41.34 1irh n LEU 16 CO 0.00 -0.20 0.53 0.00 -1.33 0.00 0.00 177.39 176.39 1irh s ARG 18 N -4.47 2.76 -0.28 0.00 0.52 -1.26 -4.76 118.95 111.45 1irh s ARG 18 Ca 0.68 -1.93 -0.14 0.00 -0.52 0.00 0.00 55.73 53.82 1irh s ARG 18 Cb -0.25 -4.07 0.09 0.00 0.52 0.00 0.00 34.95 31.25 1irh s ARG 18 CO 0.64 -1.24 0.68 0.00 0.02 0.00 0.00 175.30 175.40 1irh s ALA 19 N 1.11 -1.92 -1.21 2.13 0.00 -1.26 -5.08 121.76 115.53 1irh s ALA 19 Ca 0.08 2.40 -0.14 0.00 0.00 0.00 0.00 51.96 54.30 1irh s ALA 19 Cb -0.24 -1.52 0.17 0.00 0.00 0.00 0.00 23.12 21.52 1irh s ALA 19 CO -0.01 -0.53 1.44 -0.80 0.00 0.00 0.00 175.76 175.85 1irh s ASN 20 N 1.99 7.07 0.20 0.00 0.01 -1.26 -4.07 114.94 118.88 1irh s ASN 20 Ca -0.09 -2.98 0.00 0.00 -0.71 0.00 0.00 52.86 49.08 1irh s ASN 20 Cb -0.07 -2.40 0.00 0.00 0.41 0.00 0.00 41.25 39.19 1irh s ASN 20 CO -0.20 -0.76 0.00 -0.62 -1.51 0.00 0.00 177.10 174.02 1irh n GLU 21 N 5.70 0.80 -3.16 -0.60 1.02 -0.96 -4.87 120.64 118.59 1irh n GLU 21 Ca 0.37 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 57.28 1irh n GLU 21 Cb 0.43 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.79 1irh n GLU 21 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1irh n ASN 22 N -0.59 -0.07 -4.86 1.62 3.02 -1.24 -4.08 115.26 109.07 1irh n ASN 22 Ca 0.00 -2.74 -0.33 0.00 -0.03 0.00 0.00 54.58 51.48 1irh n ASN 22 Cb 0.00 -0.45 -0.06 0.00 -0.61 0.00 0.00 39.78 38.67 1irh n ASN 22 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1irh s ARG 23 N -1.03 3.93 -0.55 3.52 1.81 -0.44 -4.78 118.95 121.41 1irh s ARG 23 Ca 0.35 0.46 -0.22 0.00 -1.72 0.00 0.00 55.73 54.60 1irh s ARG 23 Cb 0.17 -2.72 0.06 0.00 -0.45 0.00 0.00 34.95 32.01 1irh s ARG 23 CO -0.12 0.35 0.80 -0.06 -0.68 0.00 0.00 175.30 175.58 1irh s PHE 24 N -1.71 2.90 -0.03 -0.53 0.08 -1.03 0.81 117.98 118.46 1irh s PHE 24 Ca 0.45 -0.35 -0.19 0.00 0.12 0.00 0.00 56.93 56.96 1irh s PHE 24 Cb -0.13 -3.88 -0.05 0.00 -0.57 0.00 0.00 43.02 38.40 1irh s PHE 24 CO 0.20 -1.25 0.54 -0.47 -0.10 0.00 0.00 175.22 174.13 1irh s TYR 25 N 3.34 3.64 -0.52 0.36 5.04 -0.82 -3.98 117.35 124.41 1irh s TYR 25 Ca 0.22 1.09 -0.28 0.00 -2.44 0.00 0.00 57.07 55.65 1irh s TYR 25 Cb -0.17 -2.55 0.02 0.00 0.35 0.00 0.00 41.96 39.62 1irh s TYR 25 CO 0.14 0.35 1.30 -0.47 -1.34 0.00 0.00 175.55 175.53 1irh s TYR 26 N -0.11 2.49 -0.22 4.97 6.14 -1.26 -0.15 117.35 129.20 1irh s TYR 26 Ca 0.29 0.54 -0.29 0.00 0.64 0.00 0.00 57.07 58.24 1irh s TYR 26 Cb -0.17 -4.42 0.01 0.00 0.42 0.00 0.00 41.96 37.79 1irh s TYR 26 CO 0.15 -1.75 1.06 1.21 0.64 0.00 0.00 175.55 176.86 1irh s ASN 27 N 3.58 7.09 0.00 4.32 3.84 -0.84 -4.79 114.94 128.14 1irh s ASN 27 Ca 0.51 1.41 0.22 0.00 0.21 0.00 0.00 52.86 55.21 1irh s ASN 27 Cb -0.10 -2.54 1.21 0.00 -0.55 0.00 0.00 41.25 39.27 1irh s ASN 27 CO 0.28 -0.67 1.79 -1.20 -2.79 0.00 0.00 177.10 174.51 1irh n SER 28 N 6.31 0.40 -0.10 -4.21 7.64 -1.26 -1.62 113.62 120.78 1irh n SER 28 Ca 0.12 -1.39 -0.13 0.00 1.01 0.00 0.00 58.87 58.48 1irh n SER 28 Cb 0.46 -0.02 -0.05 0.00 -1.01 0.00 0.00 64.21 63.59 1irh n SER 28 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1irh n VAL 29 N -0.57 1.49 0.07 0.44 0.31 -1.26 -4.61 118.33 114.19 1irh n VAL 29 Ca 0.17 0.04 -0.15 0.00 -0.01 0.00 0.00 64.34 64.39 1irh n VAL 29 Cb 0.14 -2.24 -0.14 0.00 -0.91 0.00 0.00 33.84 30.69 1irh n VAL 29 CO 0.00 0.00 0.00 0.16 -1.32 0.00 0.00 176.83 175.67 1irh h ILE 30 N -1.00 1.29 0.00 2.52 3.07 -2.00 -3.48 117.51 117.91 1irh h ILE 30 Ca -0.17 -2.94 0.00 0.00 1.55 0.00 0.00 64.86 63.30 1irh h ILE 30 Cb 1.04 2.79 0.00 0.00 -0.27 0.00 0.00 36.82 40.38 1irh h ILE 30 CO -0.10 0.83 0.00 0.61 -1.05 0.00 0.00 178.15 178.44 1irh n GLY 31 N 1.58 3.05 3.92 0.16 0.00 -0.64 -5.09 105.19 108.18 1irh n GLY 31 Ca -0.12 -1.06 -0.28 0.00 0.00 0.00 0.00 46.02 44.56 1irh n GLY 31 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1irh s LYS 32 N 0.00 1.79 -0.52 1.61 -2.85 -1.26 -4.60 119.74 113.92 1irh s LYS 32 Ca 0.00 -0.14 -0.24 0.00 -1.00 0.00 0.00 55.97 54.59 1irh s LYS 32 Cb 0.00 -2.01 0.04 0.00 -2.06 0.00 0.00 37.83 33.79 1irh s LYS 32 CO 0.00 -1.63 0.88 0.00 0.10 0.00 0.00 175.35 174.70 1irh s ARG 34 N 3.68 4.01 0.01 0.00 1.81 0.78 -4.67 118.95 124.57 1irh s ARG 34 Ca 0.30 0.87 -0.30 0.00 -1.72 0.00 0.00 55.73 54.88 1irh s ARG 34 Cb -0.13 -3.74 -0.08 0.00 -0.45 0.00 0.00 34.95 30.55 1irh s ARG 34 CO 0.20 -0.84 1.90 -2.14 -0.68 0.00 0.00 175.30 173.74 1irh s PRO 35 N 3.42 4.12 0.16 3.54 0.02 -1.26 -1.95 135.00 143.05 1irh s PRO 35 Ca 0.41 2.50 0.01 0.00 0.02 0.00 0.00 61.00 63.93 1irh s PRO 35 Cb -0.13 -4.13 0.01 0.00 0.02 0.00 0.00 34.50 30.27 1irh s PRO 35 CO 0.15 -0.96 0.08 1.97 -0.33 0.00 0.00 177.00 177.90 1irh n PHE 36 N 7.57 -0.69 -3.65 6.54 -1.74 0.24 -4.88 117.46 120.85 1irh n PHE 36 Ca 0.20 -0.70 -0.39 0.00 -0.56 0.00 0.00 57.45 55.99 1irh n PHE 36 Cb 0.42 -0.12 -0.11 0.00 1.52 0.00 0.00 39.48 41.19 1irh n PHE 36 CO 0.00 0.00 0.00 0.15 -0.56 0.00 0.00 176.76 176.35 1irh s LYS 37 N -2.62 2.60 0.48 3.97 3.01 -1.26 -1.33 119.74 124.59 1irh s LYS 37 Ca 0.06 -1.37 -0.04 0.00 -1.01 0.00 0.00 55.97 53.60 1irh s LYS 37 Cb -0.00 -3.69 -0.03 0.00 -1.01 0.00 0.00 37.83 33.10 1irh s LYS 37 CO 0.04 -0.86 0.77 -0.47 0.51 0.00 0.00 175.35 175.33 1irh s TYR 38 N 1.42 3.52 -0.23 3.18 5.04 -1.26 -4.61 117.35 124.42 1irh s TYR 38 Ca 0.02 0.73 -0.00 0.00 -2.44 0.00 0.00 57.07 55.38 1irh s TYR 38 Cb -0.22 -2.29 -0.19 0.00 0.35 0.00 0.00 41.96 39.61 1irh s TYR 38 CO 0.02 -0.28 -0.11 0.43 -1.34 0.00 0.00 175.55 174.27 1irh n SER 39 N -2.23 2.01 0.00 4.32 7.64 -0.01 -2.25 113.62 123.09 1irh n SER 39 Ca 0.00 -0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.83 1irh n SER 39 Cb 0.55 -0.52 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 1irh n SER 39 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1irh n GLY 40 N 2.17 1.76 2.74 0.23 0.00 -1.26 -4.64 105.19 106.19 1irh n GLY 40 Ca -0.43 -0.07 -0.19 0.00 0.00 0.00 0.00 46.02 45.33 1irh n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1irh n GLY 42 N 5.31 1.64 4.10 0.00 0.00 -1.26 -3.57 105.19 111.41 1irh n GLY 42 Ca -0.04 -0.08 0.10 0.00 0.00 0.00 0.00 46.02 46.01 1irh n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1irh n GLY 43 N 0.00 -1.45 2.07 -0.02 0.00 -1.26 -4.86 105.19 99.67 1irh n GLY 43 Ca 0.00 -1.08 -0.15 0.00 0.00 0.00 0.00 46.02 44.79 1irh n GLY 43 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1irh n ASN 44 N -3.59 0.28 -2.03 1.61 3.02 -1.26 -4.98 115.26 108.31 1irh n ASN 44 Ca 0.01 -1.38 -0.21 0.00 -0.03 0.00 0.00 54.58 52.97 1irh n ASN 44 Cb 0.34 -0.48 0.17 0.00 -0.61 0.00 0.00 39.78 39.21 1irh n ASN 44 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1irh n GLU 45 N -2.33 2.22 -1.30 3.52 4.07 -1.26 -4.43 120.64 121.13 1irh n GLU 45 Ca 0.09 -3.09 -0.04 0.00 -0.06 0.00 0.00 57.16 54.06 1irh n GLU 45 Cb 0.31 -2.12 0.12 0.00 -0.06 0.00 0.00 31.44 29.69 1irh n GLU 45 CO 0.00 0.00 0.00 0.27 -0.06 0.00 0.00 177.13 177.34 1irh n ASN 46 N -1.12 2.67 -4.47 4.31 6.94 -1.26 -5.00 115.26 117.33 1irh n ASN 46 Ca 0.55 -3.54 -0.43 0.00 -0.02 0.00 0.00 54.58 51.14 1irh n ASN 46 Cb 1.46 -0.44 -0.04 0.00 -2.36 0.00 0.00 39.78 38.40 1irh n ASN 46 CO 0.00 0.00 0.00 0.20 -1.03 0.00 0.00 177.26 176.43 1irh s ASN 47 N -3.27 6.17 0.22 0.53 0.02 -1.26 -4.84 114.94 112.51 1irh s ASN 47 Ca 0.41 -0.86 -0.23 0.00 -1.02 0.00 0.00 52.86 51.15 1irh s ASN 47 Cb 0.38 -2.45 -0.08 0.00 0.02 0.00 0.00 41.25 39.12 1irh s ASN 47 CO -0.04 -1.52 0.79 -0.36 0.02 0.00 0.00 177.10 175.99 1irh s PHE 48 N 4.40 3.77 0.04 2.20 0.08 -1.26 -4.96 117.98 122.24 1irh s PHE 48 Ca 0.25 1.57 0.10 0.00 0.12 0.00 0.00 56.93 58.97 1irh s PHE 48 Cb -0.15 -2.74 -0.18 0.00 -0.57 0.00 0.00 43.02 39.37 1irh s PHE 48 CO 0.11 0.39 1.11 1.79 -0.10 0.00 0.00 175.22 178.52 1irh h THR 49 N 2.96 1.34 -1.45 0.64 1.35 -1.93 -2.72 112.91 113.10 1irh h THR 49 Ca -0.47 -3.04 0.00 0.00 -0.55 0.00 0.00 66.41 62.35 1irh h THR 49 Cb 1.20 2.65 0.00 0.00 -1.73 0.00 0.00 68.15 70.27 1irh h THR 49 CO 0.66 0.76 0.00 -0.24 -0.25 0.00 0.00 175.52 176.45 1irh n SER 50 N -3.23 0.00 -0.06 5.36 2.88 -1.26 -4.75 113.62 112.56 1irh n SER 50 Ca -0.05 -0.45 -0.04 0.00 -1.33 0.00 0.00 58.87 57.01 1irh n SER 50 Cb 0.94 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 64.25 1irh n SER 50 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1irh n LYS 51 N 0.00 0.67 -0.18 -1.46 4.81 -1.26 -3.61 118.16 117.13 1irh n LYS 51 Ca 0.00 -0.00 0.03 0.00 -0.87 0.00 0.00 58.31 57.47 1irh n LYS 51 Cb 0.00 -1.58 0.31 0.00 0.02 0.00 0.00 35.03 33.79 1irh n LYS 51 CO 0.00 0.00 0.00 0.37 1.17 0.00 0.00 177.40 178.94 1irh h GLN 52 N 0.00 0.83 0.00 1.64 5.75 -2.00 -1.97 115.11 119.36 1irh h GLN 52 Ca -0.36 -0.05 -0.20 0.00 -0.15 0.00 0.00 58.65 57.89 1irh h GLN 52 Cb 1.87 -0.19 -0.03 0.00 1.07 0.00 0.00 27.48 30.20 1irh h GLN 52 CO 0.03 0.55 -1.25 0.93 -2.65 0.00 0.00 178.83 176.44 1irh h GLU 53 N 0.86 0.00 -0.54 1.69 3.07 -1.98 -2.64 114.58 115.03 1irh h GLU 53 Ca 0.28 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.12 1irh h GLU 53 Cb 0.04 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 27.92 1irh h GLU 53 CO -0.08 0.52 0.28 0.00 -1.40 0.00 0.00 179.01 178.34 1irh h LEU 55 N 0.76 0.33 -2.19 0.00 3.38 -1.53 -2.69 115.31 113.37 1irh h LEU 55 Ca 0.19 -0.71 -0.01 0.00 0.09 0.00 0.00 57.88 57.44 1irh h LEU 55 Cb 0.05 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 1irh h LEU 55 CO -0.03 1.63 -0.05 0.03 0.09 0.00 0.00 178.44 180.11 1irh h ARG 56 N 0.06 0.00 0.00 1.13 3.08 -1.32 0.97 114.38 118.30 1irh h ARG 56 Ca -0.37 0.00 -0.43 0.00 0.07 0.00 0.00 59.98 59.25 1irh h ARG 56 Cb 2.03 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 32.02 1irh h ARG 56 CO 0.10 0.05 -2.40 0.00 -1.07 0.00 0.00 179.97 176.65 1irh n ALA 57 N -2.19 1.20 -0.08 0.04 0.00 -0.55 -3.58 120.51 115.34 1irh n ALA 57 Ca -0.02 -1.03 -0.16 0.00 0.00 0.00 0.00 53.44 52.23 1irh n ALA 57 Cb 0.19 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.53 1irh n ALA 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1irh h LYS 59 N -1.00 0.00 -6.37 0.00 3.64 -0.79 -3.48 116.57 108.58 1irh h LYS 59 Ca -0.12 0.00 -0.48 0.00 -1.27 0.00 0.00 60.65 58.78 1irh h LYS 59 Cb 1.04 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.80 1irh h LYS 59 CO -0.07 0.84 -0.78 1.63 -2.27 0.00 0.00 179.45 178.79 1irh n LYS 60 N -3.40 -5.00 -0.59 1.90 5.02 0.30 -4.96 118.16 111.43 1irh n LYS 60 Ca 0.00 0.55 0.00 0.00 -2.02 0.00 0.00 58.31 56.85 1irh n LYS 60 Cb 0.84 -5.36 0.00 0.00 -0.02 0.00 0.00 35.03 30.49 1irh n LYS 60 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29