#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1irz n ALA 2 N 0.00 -3.20 -2.43 1.79 0.00 -1.26 -4.36 120.51 111.06 1irz n ALA 2 Ca 0.00 0.34 -0.31 0.00 0.00 0.00 0.00 53.44 53.48 1irz n ALA 2 Cb 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.39 1irz n ALA 2 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1irz n GLN 3 N -3.14 3.36 -4.11 0.00 6.02 -1.26 -4.90 117.38 113.35 1irz n GLN 3 Ca -0.00 -4.34 -0.32 0.00 -0.01 0.00 0.00 57.00 52.33 1irz n GLN 3 Cb 0.62 -2.27 -0.04 0.00 1.02 0.00 0.00 30.24 29.57 1irz n GLN 3 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1irz n LYS 4 N -0.44 -1.64 -3.15 -1.09 5.02 -1.26 -4.91 118.16 110.68 1irz n LYS 4 Ca 0.42 0.22 0.04 0.00 -2.02 0.00 0.00 58.31 56.97 1irz n LYS 4 Cb 0.50 -3.77 -0.01 0.00 -0.02 0.00 0.00 35.03 31.73 1irz n LYS 4 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1irz s LYS 5 N -7.00 0.44 0.57 1.97 2.20 -1.26 -5.16 119.74 111.50 1irz s LYS 5 Ca 0.12 0.68 -0.15 0.00 -0.36 0.00 0.00 55.97 56.26 1irz s LYS 5 Cb -0.06 0.37 -0.05 0.00 -1.51 0.00 0.00 37.83 36.58 1irz s LYS 5 CO 0.95 -0.58 1.02 -1.25 -0.36 0.00 0.00 175.35 175.14 1irz s PRO 6 N 2.88 3.58 -0.82 4.03 0.04 -1.26 -4.84 135.00 138.62 1irz s PRO 6 Ca 0.14 1.05 -0.36 0.00 0.04 0.00 0.00 61.00 61.87 1irz s PRO 6 Cb -0.12 -2.08 -0.21 0.00 0.04 0.00 0.00 34.50 32.14 1irz s PRO 6 CO -0.20 -0.58 2.50 -2.13 0.04 0.00 0.00 177.00 176.63 1irz n ARG 7 N -1.97 0.02 -1.84 4.56 0.63 -1.26 -4.70 116.66 112.11 1irz n ARG 7 Ca 0.08 0.00 -0.21 0.00 -0.92 0.00 0.00 57.85 56.80 1irz n ARG 7 Cb 0.53 -1.52 -0.07 0.00 0.45 0.00 0.00 32.46 31.85 1irz n ARG 7 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1irz s VAL 8 N 7.97 3.27 -0.06 5.15 1.01 -1.26 -4.47 120.40 132.00 1irz s VAL 8 Ca 1.30 -0.29 0.07 0.00 0.00 0.00 0.00 61.98 63.06 1irz s VAL 8 Cb -1.33 -3.77 -0.11 0.00 0.00 0.00 0.00 36.38 31.17 1irz s VAL 8 CO 0.55 -0.54 0.07 -0.11 0.00 0.00 0.00 175.10 175.07 1irz n LEU 9 N 16.33 0.00 -2.69 3.92 7.94 -1.26 -4.87 117.00 136.37 1irz n LEU 9 Ca 0.43 0.00 -0.06 0.00 -1.11 0.00 0.00 56.01 55.27 1irz n LEU 9 Cb 0.46 0.15 0.10 0.00 0.53 0.00 0.00 43.42 44.65 1irz n LEU 9 CO 0.59 0.15 0.55 0.79 -1.11 0.00 0.00 177.39 178.36 1irz n TRP 10 N -2.17 -1.56 -4.22 1.96 5.03 -1.26 -4.83 117.44 110.40 1irz n TRP 10 Ca -0.10 -1.36 -0.28 0.00 3.03 0.00 0.00 57.50 58.79 1irz n TRP 10 Cb 0.62 1.38 -0.05 0.00 -1.03 0.00 0.00 31.31 32.24 1irz n TRP 10 CO 0.00 0.00 0.00 0.95 -0.03 0.00 0.00 177.69 178.61 1irz s THR 11 N 0.16 1.71 0.64 -0.99 -4.23 -1.26 -4.60 115.64 107.07 1irz s THR 11 Ca 0.22 -1.70 0.22 0.00 -1.18 0.00 0.00 61.69 59.24 1irz s THR 11 Cb 0.29 -2.42 0.26 0.00 1.34 0.00 0.00 72.50 71.97 1irz s THR 11 CO -0.14 0.00 1.59 -0.74 -0.54 0.00 0.00 174.62 174.80 1irz h HIS 12 N 1.14 0.00 0.00 3.99 2.76 -2.02 0.42 115.15 121.44 1irz h HIS 12 Ca -0.41 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 57.76 1irz h HIS 12 Cb 1.29 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.25 1irz h HIS 12 CO 1.03 0.00 -0.00 1.49 -1.30 0.00 0.00 177.93 179.15 1irz h GLU 13 N 0.00 -0.01 0.00 5.26 4.57 -1.99 -3.22 114.58 119.19 1irz h GLU 13 Ca 0.12 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.28 1irz h GLU 13 Cb 1.45 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 30.03 1irz h GLU 13 CO -0.00 0.86 -0.32 -0.07 -1.18 0.00 0.00 179.01 178.30 1irz h LEU 14 N -0.94 0.00 -1.54 1.64 3.38 -1.13 -3.33 115.31 113.39 1irz h LEU 14 Ca -0.00 -0.13 0.06 0.00 0.09 0.00 0.00 57.88 57.90 1irz h LEU 14 Cb 0.87 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 1irz h LEU 14 CO 0.00 0.73 0.58 -0.74 0.09 0.00 0.00 178.44 179.10 1irz h HIS 15 N -1.00 0.00 -0.12 1.13 2.76 -0.55 0.21 115.15 117.58 1irz h HIS 15 Ca -0.03 0.00 -0.17 0.00 -2.20 0.00 0.00 60.37 57.96 1irz h HIS 15 Cb 0.41 0.00 0.01 0.00 1.55 0.00 0.00 27.41 29.38 1irz h HIS 15 CO -0.06 0.00 -0.60 -0.91 -1.30 0.00 0.00 177.93 175.06 1irz h ASN 16 N 0.00 0.74 -0.40 3.26 4.21 -1.63 -2.28 115.58 119.48 1irz h ASN 16 Ca 0.10 -0.64 -0.06 0.00 1.21 0.00 0.00 56.30 56.92 1irz h ASN 16 Cb 1.25 -0.22 -0.02 0.00 -1.12 0.00 0.00 38.32 38.21 1irz h ASN 16 CO -0.00 1.26 0.05 0.11 -1.29 0.00 0.00 177.43 177.55 1irz h LYS 17 N 0.28 0.77 -0.12 0.81 1.57 -0.69 -1.71 116.57 117.48 1irz h LYS 17 Ca -0.04 -0.18 -0.12 0.00 -1.87 0.00 0.00 60.65 58.44 1irz h LYS 17 Cb 1.24 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.44 1irz h LYS 17 CO 0.13 0.74 -0.45 0.35 -0.57 0.00 0.00 179.45 179.65 1irz h PHE 18 N 0.73 0.33 -0.16 -1.35 3.04 -1.48 -1.37 116.94 116.68 1irz h PHE 18 Ca 0.15 -0.10 -0.08 0.00 3.98 0.00 0.00 57.97 61.93 1irz h PHE 18 Cb 0.38 -0.07 -0.00 0.00 2.56 0.00 0.00 35.95 38.82 1irz h PHE 18 CO 0.02 0.68 -0.20 -0.07 -2.02 0.00 0.00 178.31 176.72 1irz h LEU 19 N 0.23 0.45 -1.08 0.59 3.38 -0.83 -1.55 115.31 116.51 1irz h LEU 19 Ca 0.02 -0.51 -0.09 0.00 0.09 0.00 0.00 57.88 57.38 1irz h LEU 19 Cb 0.88 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 1irz h LEU 19 CO 0.07 0.87 -0.40 0.00 0.09 0.00 0.00 178.44 179.07 1irz h ALA 20 N 0.60 1.23 -0.31 1.53 0.00 -1.27 -2.11 119.26 118.92 1irz h ALA 20 Ca 0.02 -0.39 -0.17 0.00 0.00 0.00 0.00 54.91 54.37 1irz h ALA 20 Cb 0.76 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1irz h ALA 20 CO 0.05 0.55 -0.48 0.00 0.00 0.00 0.00 179.25 179.37 1irz h ALA 21 N 1.50 0.48 -0.14 0.00 0.00 -1.16 -1.59 119.26 118.35 1irz h ALA 21 Ca 0.01 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 1irz h ALA 21 Cb 0.76 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1irz h ALA 21 CO 0.06 0.65 0.05 0.28 0.00 0.00 0.00 179.25 180.29 1irz h VAL 22 N 0.67 1.16 -0.61 0.00 2.07 -1.05 -2.15 116.25 116.34 1irz h VAL 22 Ca 0.03 -0.50 0.02 0.00 0.82 0.00 0.00 66.70 67.07 1irz h VAL 22 Cb 1.08 1.23 -0.04 0.00 -1.52 0.00 0.00 31.29 32.05 1irz h VAL 22 CO 0.11 0.15 0.39 -0.78 0.02 0.00 0.00 177.57 177.46 1irz h ASP 23 N 0.07 0.65 0.13 0.57 1.82 -1.37 0.76 116.42 119.04 1irz h ASP 23 Ca 0.05 -0.01 -0.00 0.00 -0.39 0.00 0.00 57.03 56.68 1irz h ASP 23 Cb 0.19 -0.15 -0.00 0.00 0.68 0.00 0.00 39.33 40.05 1irz h ASP 23 CO -0.00 0.46 -0.02 -0.74 -1.61 0.00 0.00 179.24 177.32 1irz h HIS 24 N 0.77 0.00 -0.01 0.28 2.76 -1.04 -1.86 115.15 116.05 1irz h HIS 24 Ca 0.24 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.41 1irz h HIS 24 Cb -0.02 0.00 0.00 0.00 1.55 0.00 0.00 27.41 28.94 1irz h HIS 24 CO -0.04 0.02 -0.08 1.28 -1.30 0.00 0.00 177.93 177.81 1irz n LEU 25 N -3.48 1.71 -0.91 0.26 4.77 -0.22 -5.06 117.00 114.06 1irz n LEU 25 Ca -0.03 -0.92 0.00 0.00 -0.03 0.00 0.00 56.01 55.04 1irz n LEU 25 Cb 0.12 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1irz n LEU 25 CO 0.25 0.33 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 1irz n GLY 26 N 0.75 -2.29 0.32 -0.72 0.00 0.25 -4.12 105.19 99.37 1irz n GLY 26 Ca 0.06 -0.62 0.15 0.00 0.00 0.00 0.00 46.02 45.61 1irz n GLY 26 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1irz h VAL 27 N 0.00 0.00 -0.35 1.61 3.04 -1.80 0.45 116.25 119.20 1irz h VAL 27 Ca 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 66.70 65.63 1irz h VAL 27 Cb 0.00 0.63 -0.01 0.00 -2.01 0.00 0.00 31.29 29.90 1irz h VAL 27 CO 0.00 0.00 -0.03 -0.08 -1.01 0.00 0.00 177.57 176.45 1irz h GLU 28 N 0.00 0.64 -0.11 4.17 4.57 -1.89 -3.27 114.58 118.69 1irz h GLU 28 Ca 0.00 -0.22 0.00 0.00 -1.18 0.00 0.00 59.36 57.96 1irz h GLU 28 Cb 0.67 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.21 1irz h GLU 28 CO 0.00 0.77 0.00 0.54 -1.18 0.00 0.00 179.01 179.14 1irz n ARG 29 N -4.47 2.61 -2.65 1.92 1.74 -0.03 -4.97 116.66 110.80 1irz n ARG 29 Ca -0.02 -1.99 -0.43 0.00 -0.77 0.00 0.00 57.85 54.64 1irz n ARG 29 Cb 0.29 -1.26 -0.03 0.00 -1.02 0.00 0.00 32.46 30.45 1irz n ARG 29 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1irz s ALA 30 N -1.59 3.13 0.26 7.54 0.00 0.14 -4.96 121.76 126.28 1irz s ALA 30 Ca 0.16 -0.64 0.05 0.00 0.00 0.00 0.00 51.96 51.53 1irz s ALA 30 Cb 0.12 -3.88 -0.03 0.00 0.00 0.00 0.00 23.12 19.34 1irz s ALA 30 CO 0.05 -2.32 0.38 0.14 0.00 0.00 0.00 175.76 174.01 1irz s VAL 31 N 4.42 5.14 0.08 0.00 -7.23 -1.26 -4.91 120.40 116.64 1irz s VAL 31 Ca 0.44 -0.96 0.14 0.00 -1.81 0.00 0.00 61.98 59.79 1irz s VAL 31 Cb -0.08 -3.82 0.01 0.00 0.56 0.00 0.00 36.38 33.05 1irz s VAL 31 CO 0.29 -0.33 1.53 1.55 -0.31 0.00 0.00 175.10 177.84 1irz h PRO 32 N 1.12 0.00 -0.07 4.82 0.13 -1.95 -2.12 132.00 133.93 1irz h PRO 32 Ca -0.51 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.60 1irz h PRO 32 Cb 1.23 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 1irz h PRO 32 CO 0.60 0.59 -0.04 -0.22 -0.23 0.00 0.00 178.00 178.70 1irz h LYS 33 N 0.00 0.16 -0.27 0.86 3.11 -1.93 0.21 116.57 118.70 1irz h LYS 33 Ca -0.01 -0.07 -0.12 0.00 -2.81 0.00 0.00 60.65 57.64 1irz h LYS 33 Cb 1.26 -0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.48 1irz h LYS 33 CO 0.08 0.53 -0.31 0.87 -2.81 0.00 0.00 179.45 177.81 1irz h LYS 34 N -0.22 0.68 0.00 1.90 1.79 -1.98 -2.62 116.57 116.11 1irz h LYS 34 Ca 0.02 -0.38 -0.03 0.00 -2.18 0.00 0.00 60.65 58.08 1irz h LYS 34 Cb 0.49 0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 31.16 1irz h LYS 34 CO 0.01 0.99 -0.13 0.82 -1.08 0.00 0.00 179.45 180.06 1irz h ILE 35 N 0.41 0.50 -0.45 1.86 2.04 -1.39 -0.94 117.51 119.54 1irz h ILE 35 Ca 0.04 -0.65 0.11 0.00 1.00 0.00 0.00 64.86 65.35 1irz h ILE 35 Cb 0.89 1.44 -0.02 0.00 -0.74 0.00 0.00 36.82 38.39 1irz h ILE 35 CO 0.07 0.13 0.31 0.25 0.00 0.00 0.00 178.15 178.92 1irz h LEU 36 N 0.00 0.10 -0.26 1.44 5.85 -0.19 0.53 115.31 122.79 1irz h LEU 36 Ca -0.00 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.52 1irz h LEU 36 Cb 0.43 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 1irz h LEU 36 CO 0.02 0.06 -0.89 0.44 -0.34 0.00 0.00 178.44 177.72 1irz h ASP 37 N 0.11 0.19 -0.84 1.25 5.19 -1.22 -1.72 116.42 119.39 1irz h ASP 37 Ca 0.21 -0.16 0.06 0.00 -0.62 0.00 0.00 57.03 56.51 1irz h ASP 37 Cb 0.69 -0.06 -0.05 0.00 0.18 0.00 0.00 39.33 40.09 1irz h ASP 37 CO -0.02 0.99 0.55 -0.07 -3.12 0.00 0.00 179.24 177.57 1irz h LEU 38 N 0.08 0.85 0.04 1.55 3.38 0.10 -2.97 115.31 118.33 1irz h LEU 38 Ca -0.04 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.78 1irz h LEU 38 Cb 1.54 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 42.10 1irz h LEU 38 CO 0.13 0.56 -0.79 0.24 0.09 0.00 0.00 178.44 178.66 1irz h MET 39 N 0.97 0.09 -2.83 1.13 2.86 -1.35 -3.47 114.93 112.33 1irz h MET 39 Ca 0.35 -0.15 -0.20 0.00 -2.06 0.00 0.00 59.70 57.65 1irz h MET 39 Cb 0.16 0.06 -0.04 0.00 0.06 0.00 0.00 31.60 31.83 1irz h MET 39 CO -0.12 1.07 -0.22 -1.71 1.06 0.00 0.00 176.91 176.99 1irz n ASN 40 N -4.34 -2.93 -4.85 1.22 2.85 -0.65 -4.89 115.26 101.66 1irz n ASN 40 Ca -0.21 0.25 -0.31 0.00 -0.11 0.00 0.00 54.58 54.20 1irz n ASN 40 Cb 0.67 -2.68 0.02 0.00 1.24 0.00 0.00 39.78 39.03 1irz n ASN 40 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1irz s VAL 41 N -2.16 4.50 0.27 3.44 1.01 -1.26 -5.04 120.40 121.16 1irz s VAL 41 Ca 0.00 0.84 -0.16 0.00 0.00 0.00 0.00 61.98 62.66 1irz s VAL 41 Cb 0.00 -3.73 -0.09 0.00 0.00 0.00 0.00 36.38 32.57 1irz s VAL 41 CO 0.00 -1.03 0.71 1.51 0.00 0.00 0.00 175.10 176.29 1irz s ASP 42 N -3.98 6.87 0.00 3.32 -4.77 -1.26 -3.57 116.67 113.28 1irz s ASP 42 Ca 0.56 1.31 0.00 0.00 -3.30 0.00 0.00 52.55 51.12 1irz s ASP 42 Cb -0.12 -2.38 0.00 0.00 -1.09 0.00 0.00 42.92 39.33 1irz s ASP 42 CO 0.52 -0.10 0.00 1.17 0.70 0.00 0.00 175.17 177.47 1irz n LYS 43 N 0.10 0.00 -3.45 2.11 3.00 -1.26 -4.96 118.16 113.70 1irz n LYS 43 Ca 0.01 0.00 -0.43 0.00 -0.00 0.00 0.00 58.31 57.89 1irz n LYS 43 Cb 0.52 -1.99 -0.08 0.00 0.00 0.00 0.00 35.03 33.49 1irz n LYS 43 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1irz s LEU 44 N 0.00 5.69 0.57 3.14 1.43 -1.23 -5.06 118.68 123.22 1irz s LEU 44 Ca 0.00 -1.61 -0.00 0.00 -1.03 0.00 0.00 54.13 51.48 1irz s LEU 44 Cb 0.00 -2.11 0.03 0.00 0.03 0.00 0.00 46.19 44.14 1irz s LEU 44 CO 0.00 -0.69 0.81 0.42 0.23 0.00 0.00 176.35 177.12 1irz s THR 45 N 1.53 2.77 -0.04 5.49 -4.23 -1.26 -4.79 115.64 115.10 1irz s THR 45 Ca 0.04 -0.56 0.31 0.00 -1.18 0.00 0.00 61.69 60.30 1irz s THR 45 Cb -0.26 -3.07 0.36 0.00 1.34 0.00 0.00 72.50 70.87 1irz s THR 45 CO 0.03 -0.05 1.92 0.08 -0.54 0.00 0.00 174.62 176.06 1irz h ARG 46 N -0.02 0.00 0.00 3.99 0.11 -1.96 -2.51 114.38 113.99 1irz h ARG 46 Ca -0.43 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 59.58 1irz h ARG 46 Cb 1.29 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.36 1irz h ARG 46 CO 0.54 0.00 -0.36 0.93 0.10 0.00 0.00 179.97 181.19 1irz h GLU 47 N 0.00 0.00 0.09 0.08 4.39 -1.96 -0.99 114.58 116.18 1irz h GLU 47 Ca 0.00 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.44 1irz h GLU 47 Cb 0.46 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.11 1irz h GLU 47 CO 0.00 0.36 -1.19 -0.91 -1.16 0.00 0.00 179.01 176.10 1irz h ASN 48 N 0.00 0.29 0.82 1.42 2.35 -1.83 -1.73 115.58 116.90 1irz h ASN 48 Ca -0.00 -0.32 -0.24 0.00 -0.55 0.00 0.00 56.30 55.19 1irz h ASN 48 Cb 1.11 -0.10 -0.04 0.00 0.05 0.00 0.00 38.32 39.35 1irz h ASN 48 CO 0.05 1.25 -1.24 0.58 -1.65 0.00 0.00 177.43 176.41 1irz h VAL 49 N 0.05 1.42 0.00 2.81 2.07 -1.53 -2.85 116.25 118.22 1irz h VAL 49 Ca -0.11 -3.18 -0.06 0.00 0.82 0.00 0.00 66.70 64.18 1irz h VAL 49 Cb 1.92 2.71 -0.01 0.00 -1.52 0.00 0.00 31.29 34.39 1irz h VAL 49 CO 0.18 0.82 -0.28 0.00 0.02 0.00 0.00 177.57 178.31 1irz h ALA 50 N 0.98 0.83 0.20 1.67 0.00 -1.24 -2.61 119.26 119.09 1irz h ALA 50 Ca -0.11 -0.25 -0.27 0.00 0.00 0.00 0.00 54.91 54.28 1irz h ALA 50 Cb 1.86 -0.04 0.03 0.00 0.00 0.00 0.00 17.79 19.63 1irz h ALA 50 CO 0.12 0.35 -1.18 0.77 0.00 0.00 0.00 179.25 179.30 1irz h SER 51 N 0.00 0.67 0.44 0.00 0.02 -1.34 -2.07 113.55 111.27 1irz h SER 51 Ca -0.00 -0.94 -0.11 0.00 -0.84 0.00 0.00 61.79 59.90 1irz h SER 51 Cb 1.18 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.49 1irz h SER 51 CO 0.04 1.57 -0.49 -0.74 -1.14 0.00 0.00 176.83 176.07 1irz h HIS 52 N -0.10 0.07 0.06 3.45 6.17 -1.55 -1.17 115.15 122.08 1irz h HIS 52 Ca -0.21 -0.02 -0.25 0.00 0.71 0.00 0.00 60.37 60.61 1irz h HIS 52 Cb 1.93 -0.01 0.00 0.00 2.52 0.00 0.00 27.41 31.85 1irz h HIS 52 CO 0.16 0.53 -1.08 1.25 0.71 0.00 0.00 177.93 179.51 1irz h LEU 53 N 0.05 0.46 -0.56 0.26 5.85 -1.53 -2.80 115.31 117.05 1irz h LEU 53 Ca -0.00 -0.43 -0.15 0.00 0.84 0.00 0.00 57.88 58.14 1irz h LEU 53 Cb 0.88 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.74 1irz h LEU 53 CO 0.07 1.27 -0.71 1.56 -0.34 0.00 0.00 178.44 180.28 1irz h GLN 54 N 0.15 0.06 0.00 1.25 4.20 -1.20 -2.66 115.11 116.91 1irz h GLN 54 Ca -0.10 -0.06 -0.13 0.00 0.06 0.00 0.00 58.65 58.42 1irz h GLN 54 Cb 1.76 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 29.53 1irz h GLN 54 CO 0.18 0.75 -0.64 0.87 -0.67 0.00 0.00 178.83 179.32 1irz h LYS 55 N 0.04 0.00 -0.04 1.46 1.79 -1.23 -2.66 116.57 115.93 1irz h LYS 55 Ca -0.01 0.00 -0.14 0.00 -2.18 0.00 0.00 60.65 58.32 1irz h LYS 55 Cb 1.26 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.92 1irz h LYS 55 CO 0.10 0.64 -0.52 0.35 -1.08 0.00 0.00 179.45 178.94 1irz h PHE 56 N 0.00 0.61 -0.78 -1.35 3.57 -1.38 -0.97 116.94 116.64 1irz h PHE 56 Ca -0.01 -0.30 0.03 0.00 3.53 0.00 0.00 57.97 61.22 1irz h PHE 56 Cb 1.19 -0.08 -0.05 0.00 2.79 0.00 0.00 35.95 39.80 1irz h PHE 56 CO 0.00 1.09 0.50 0.00 -2.23 0.00 0.00 178.31 177.67 1irz h ARG 57 N -0.05 0.95 -0.54 1.11 3.08 -1.48 0.69 114.38 118.14 1irz h ARG 57 Ca -0.05 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 59.87 1irz h ARG 57 Cb 1.20 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 31.02 1irz h ARG 57 CO 0.11 0.63 0.05 0.28 -1.07 0.00 0.00 179.97 179.97 1irz h VAL 58 N 0.98 1.25 0.00 2.04 2.07 -1.46 -0.16 116.25 120.97 1irz h VAL 58 Ca 0.31 -0.98 0.00 0.00 0.82 0.00 0.00 66.70 66.85 1irz h VAL 58 Cb -0.00 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 1irz h VAL 58 CO -0.11 0.36 0.00 0.00 0.02 0.00 0.00 177.57 177.84 1irz n ALA 59 N -2.47 2.00 0.34 1.67 0.00 -0.15 -2.52 120.51 119.38 1irz n ALA 59 Ca 0.03 -0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.56 1irz n ALA 59 Cb 0.29 -1.39 0.06 0.00 0.00 0.00 0.00 19.45 18.41 1irz n ALA 59 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1irz n LEU 60 N -1.84 0.76 -1.21 0.00 4.77 0.22 -3.47 117.00 116.23 1irz n LEU 60 Ca 0.05 0.24 0.09 0.00 -0.03 0.00 0.00 56.01 56.36 1irz n LEU 60 Cb 0.29 -0.11 0.29 0.00 -2.33 0.00 0.00 43.42 41.56 1irz n LEU 60 CO 0.23 -0.11 0.75 2.29 -1.33 0.00 0.00 177.39 179.22 1irz n LYS 61 N -2.37 3.06 -1.29 3.23 2.85 -0.80 -4.35 118.16 118.48 1irz n LYS 61 Ca 0.01 -2.58 0.01 0.00 -1.05 0.00 0.00 58.31 54.70 1irz n LYS 61 Cb 0.49 -1.60 -0.01 0.00 -0.65 0.00 0.00 35.03 33.27 1irz n LYS 61 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1irz n LYS 62 N 1.10 0.00 -3.04 -1.58 5.02 -1.20 -4.95 118.16 113.51 1irz n LYS 62 Ca 0.21 -1.64 -0.29 0.00 -2.02 0.00 0.00 58.31 54.58 1irz n LYS 62 Cb 0.66 0.11 -0.04 0.00 -0.02 0.00 0.00 35.03 35.74 1irz n LYS 62 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 1irz n VAL 63 N 0.33 3.24 0.47 -0.18 3.14 -1.23 -5.01 118.33 119.09 1irz n VAL 63 Ca -0.04 -5.54 0.06 0.00 -2.96 0.00 0.00 64.34 55.86 1irz n VAL 63 Cb 0.99 -1.61 0.05 0.00 -1.06 0.00 0.00 33.84 32.20 1irz n VAL 63 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13