#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 0.00 -3.19 2.41 0.00 -1.26 -5.14 120.51 113.32 1irz n ALA 2 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 1irz n ALA 2 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 1irz n ALA 2 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1irz s GLN 3 N 0.00 3.52 -0.13 0.00 -1.52 -1.26 -5.09 119.66 115.18 1irz s GLN 3 Ca 0.00 -0.58 -0.11 0.00 -1.95 0.00 0.00 55.36 52.73 1irz s GLN 3 Cb 0.00 -2.97 0.04 0.00 -0.22 0.00 0.00 33.01 29.86 1irz s GLN 3 CO 0.00 0.01 0.34 -1.59 -0.25 0.00 0.00 175.29 173.81 1irz s LYS 4 N 0.95 0.37 -0.30 2.91 -2.85 -1.26 -5.12 119.74 114.45 1irz s LYS 4 Ca 0.00 0.54 -0.03 0.00 -1.00 0.00 0.00 55.97 55.49 1irz s LYS 4 Cb -0.15 0.11 0.10 0.00 -2.06 0.00 0.00 37.83 35.84 1irz s LYS 4 CO 0.01 -0.08 0.12 -1.59 0.10 0.00 0.00 175.35 173.90 1irz s LYS 5 N 0.56 0.40 -0.31 1.78 0.00 -1.26 -5.10 119.74 115.81 1irz s LYS 5 Ca -0.03 -0.76 -0.29 0.00 0.00 0.00 0.00 55.97 54.89 1irz s LYS 5 Cb -0.05 -1.50 0.01 0.00 0.00 0.00 0.00 37.83 36.29 1irz s LYS 5 CO -0.03 -1.01 1.24 -1.25 0.00 0.00 0.00 175.35 174.30 1irz s PRO 6 N 1.89 3.95 -0.08 1.78 0.04 -1.26 -4.41 135.00 136.92 1irz s PRO 6 Ca 0.09 1.19 -0.00 0.00 0.04 0.00 0.00 61.00 62.32 1irz s PRO 6 Cb -0.17 -3.85 0.00 0.00 0.04 0.00 0.00 34.50 30.53 1irz s PRO 6 CO -0.32 -1.07 0.01 -2.13 0.04 0.00 0.00 177.00 173.52 1irz n ARG 7 N 7.22 -1.21 -2.88 4.56 3.00 -1.26 -4.78 116.66 121.31 1irz n ARG 7 Ca 0.14 1.35 -0.44 0.00 -0.00 0.00 0.00 57.85 58.90 1irz n ARG 7 Cb 0.47 -2.11 -0.02 0.00 0.00 0.00 0.00 32.46 30.79 1irz n ARG 7 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1irz s VAL 8 N -1.07 4.67 -0.06 5.15 1.01 -1.26 -4.66 120.40 124.18 1irz s VAL 8 Ca -0.01 -1.69 0.11 0.00 0.00 0.00 0.00 61.98 60.39 1irz s VAL 8 Cb 0.00 -4.85 -0.17 0.00 0.00 0.00 0.00 36.38 31.36 1irz s VAL 8 CO 0.21 -1.59 0.16 -0.11 0.00 0.00 0.00 175.10 173.77 1irz n LEU 9 N 6.71 0.00 -2.69 3.92 7.94 -1.26 -4.86 117.00 126.76 1irz n LEU 9 Ca 0.28 0.00 -0.05 0.00 -1.11 0.00 0.00 56.01 55.13 1irz n LEU 9 Cb 0.48 0.13 0.09 0.00 0.53 0.00 0.00 43.42 44.65 1irz n LEU 9 CO 0.55 0.13 0.57 0.79 -1.11 0.00 0.00 177.39 178.32 1irz n TRP 10 N -2.15 -1.25 -4.17 1.96 5.03 -1.26 -5.01 117.44 110.58 1irz n TRP 10 Ca -0.10 -1.12 -0.27 0.00 3.03 0.00 0.00 57.50 59.04 1irz n TRP 10 Cb 0.57 1.29 -0.05 0.00 -1.03 0.00 0.00 31.31 32.10 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 0.17 1.78 0.55 -0.99 -4.23 -1.26 -4.93 115.64 106.73 1irz s THR 11 Ca 0.23 -1.68 0.36 0.00 -1.18 0.00 0.00 61.69 59.42 1irz s THR 11 Cb 0.27 -2.46 0.53 0.00 1.34 0.00 0.00 72.50 72.18 1irz s THR 11 CO -0.15 0.00 1.77 0.45 -0.54 0.00 0.00 174.62 176.16 1irz h HIS 12 N 1.13 0.00 0.17 3.99 3.86 -2.02 0.95 115.15 123.23 1irz h HIS 12 Ca -0.41 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 58.80 1irz h HIS 12 Cb 1.29 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.76 1irz h HIS 12 CO 0.98 0.00 -0.08 1.49 0.86 0.00 0.00 177.93 181.17 1irz h GLU 13 N 0.00 -0.23 0.00 2.45 4.81 -2.01 -2.88 114.58 116.73 1irz h GLU 13 Ca 0.54 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.78 1irz h GLU 13 Cb 2.26 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 31.69 1irz h GLU 13 CO -0.01 0.19 -0.00 -0.07 -0.73 0.00 0.00 179.01 178.39 1irz h LEU 14 N -0.76 0.00 -0.13 1.64 3.38 -1.25 -1.07 115.31 117.11 1irz h LEU 14 Ca -0.02 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 1irz h LEU 14 Cb 0.52 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1irz h LEU 14 CO 0.04 0.00 -0.23 -0.74 0.09 0.00 0.00 178.44 177.61 1irz h HIS 15 N 0.00 0.00 0.01 1.13 2.76 -1.00 -3.01 115.15 115.05 1irz h HIS 15 Ca -0.00 0.00 -0.19 0.00 -2.20 0.00 0.00 60.37 57.98 1irz h HIS 15 Cb 0.13 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.07 1irz h HIS 15 CO 0.00 0.23 -0.90 -0.91 -1.30 0.00 0.00 177.93 175.05 1irz h ASN 16 N 0.00 0.09 0.05 3.26 4.21 -0.98 -1.64 115.58 120.58 1irz h ASN 16 Ca -0.00 -0.08 -0.21 0.00 1.21 0.00 0.00 56.30 57.21 1irz h ASN 16 Cb 1.13 -0.03 0.02 0.00 -1.12 0.00 0.00 38.32 38.32 1irz h ASN 16 CO 0.03 0.94 -0.86 0.11 -1.29 0.00 0.00 177.43 176.36 1irz h LYS 17 N 0.03 0.49 0.00 0.81 1.57 -1.56 -1.69 116.57 116.23 1irz h LYS 17 Ca -0.03 -0.60 -0.08 0.00 -1.87 0.00 0.00 60.65 58.08 1irz h LYS 17 Cb 1.57 0.19 -0.01 0.00 0.08 0.00 0.00 32.23 34.06 1irz h LYS 17 CO 0.13 1.23 -0.37 0.35 -0.57 0.00 0.00 179.45 180.22 1irz h PHE 18 N 0.01 0.00 0.09 -1.35 3.57 -1.60 -2.01 116.94 115.65 1irz h PHE 18 Ca -0.12 0.00 -0.27 0.00 3.53 0.00 0.00 57.97 61.10 1irz h PHE 18 Cb 1.58 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.31 1irz h PHE 18 CO 0.14 0.37 -1.33 -0.07 -2.23 0.00 0.00 178.31 175.19 1irz h LEU 19 N 0.00 0.30 -0.17 0.59 3.38 -1.32 -2.84 115.31 115.25 1irz h LEU 19 Ca -0.00 -0.36 -0.06 0.00 0.09 0.00 0.00 57.88 57.55 1irz h LEU 19 Cb 0.95 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 1irz h LEU 19 CO 0.05 1.29 -0.28 0.00 0.09 0.00 0.00 178.44 179.59 1irz h ALA 20 N 0.66 0.84 0.14 1.53 0.00 -1.23 -2.41 119.26 118.79 1irz h ALA 20 Ca -0.16 -0.25 -0.27 0.00 0.00 0.00 0.00 54.91 54.23 1irz h ALA 20 Cb 1.95 -0.04 0.03 0.00 0.00 0.00 0.00 17.79 19.72 1irz h ALA 20 CO 0.17 0.35 -1.16 0.00 0.00 0.00 0.00 179.25 178.60 1irz h ALA 21 N 1.72 -0.05 -0.13 0.00 0.00 -1.42 -1.29 119.26 118.09 1irz h ALA 21 Ca -0.00 -0.76 -0.02 0.00 0.00 0.00 0.00 54.91 54.13 1irz h ALA 21 Cb 1.15 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 1irz h ALA 21 CO 0.04 0.60 0.01 0.28 0.00 0.00 0.00 179.25 180.18 1irz h VAL 22 N 0.10 1.24 -0.45 0.00 2.07 -1.52 -1.79 116.25 115.89 1irz h VAL 22 Ca -0.19 -0.76 -0.01 0.00 0.82 0.00 0.00 66.70 66.56 1irz h VAL 22 Cb 1.87 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 33.10 1irz h VAL 22 CO 0.22 0.22 0.23 -0.78 0.02 0.00 0.00 177.57 177.48 1irz h ASP 23 N -0.02 0.59 0.12 0.57 3.58 -1.52 0.75 116.42 120.49 1irz h ASP 23 Ca 0.04 -0.12 -0.00 0.00 0.42 0.00 0.00 57.03 57.37 1irz h ASP 23 Cb 0.33 -0.15 -0.00 0.00 1.72 0.00 0.00 39.33 41.23 1irz h ASP 23 CO 0.00 0.54 -0.02 -0.74 -2.88 0.00 0.00 179.24 176.14 1irz h HIS 24 N 0.59 0.00 -0.01 0.28 2.76 -1.10 -1.51 115.15 116.16 1irz h HIS 24 Ca 0.16 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.33 1irz h HIS 24 Cb 0.10 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.06 1irz h HIS 24 CO -0.01 0.02 -0.23 1.28 -1.30 0.00 0.00 177.93 177.69 1irz n LEU 25 N -3.48 1.56 -0.72 0.26 4.77 -0.58 -5.06 117.00 113.74 1irz n LEU 25 Ca -0.03 -0.80 0.00 0.00 -0.03 0.00 0.00 56.01 55.15 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 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 1irz n GLY 26 N 0.99 -1.67 0.29 -0.72 0.00 0.25 -4.24 105.19 100.10 1irz n GLY 26 Ca 0.06 -0.69 0.14 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.21 1.61 3.04 -1.76 0.56 116.25 119.49 1irz h VAL 27 Ca 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.66 1irz h VAL 27 Cb 0.00 0.62 -0.01 0.00 -2.01 0.00 0.00 31.29 29.89 1irz h VAL 27 CO 0.00 0.00 0.01 -0.33 -1.01 0.00 0.00 177.57 176.24 1irz h GLU 28 N 0.00 0.35 -0.11 4.17 3.07 -1.89 -3.27 114.58 116.91 1irz h GLU 28 Ca 0.00 -0.11 0.00 0.00 -0.50 0.00 0.00 59.36 58.75 1irz h GLU 28 Cb 0.50 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.38 1irz h GLU 28 CO 0.00 0.53 0.00 0.54 -1.40 0.00 0.00 179.01 178.68 1irz n ARG 29 N -4.71 2.55 -2.40 2.33 3.00 -0.38 -4.95 116.66 112.11 1irz n ARG 29 Ca -0.04 -2.06 -0.39 0.00 -0.01 0.00 0.00 57.85 55.35 1irz n ARG 29 Cb 0.22 -1.29 -0.03 0.00 0.00 0.00 0.00 32.46 31.35 1irz n ARG 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1irz s ALA 30 N -1.70 2.52 0.42 7.54 0.00 0.18 -4.96 121.76 125.76 1irz s ALA 30 Ca 0.18 -1.37 -0.03 0.00 0.00 0.00 0.00 51.96 50.74 1irz s ALA 30 Cb 0.14 -4.34 -0.04 0.00 0.00 0.00 0.00 23.12 18.88 1irz s ALA 30 CO 0.05 -3.61 0.68 0.14 0.00 0.00 0.00 175.76 173.02 1irz s VAL 31 N 6.72 5.00 -0.13 0.00 -7.23 -1.26 -4.91 120.40 118.58 1irz s VAL 31 Ca 0.47 -0.09 0.24 0.00 -1.81 0.00 0.00 61.98 60.78 1irz s VAL 31 Cb -0.08 -3.86 0.26 0.00 0.56 0.00 0.00 36.38 33.27 1irz s VAL 31 CO 0.11 -0.71 1.70 1.55 -0.31 0.00 0.00 175.10 177.43 1irz h PRO 32 N 0.48 0.00 0.10 4.82 0.13 -1.94 -2.45 132.00 133.15 1irz h PRO 32 Ca -0.48 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1irz h PRO 32 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1irz h PRO 32 CO 0.62 0.17 -0.05 -0.22 -0.23 0.00 0.00 178.00 178.29 1irz h LYS 33 N 0.00 -0.13 -0.24 0.86 3.11 -1.93 0.20 116.57 118.44 1irz h LYS 33 Ca -0.00 0.01 -0.09 0.00 -2.81 0.00 0.00 60.65 57.76 1irz h LYS 33 Cb 0.93 0.03 -0.00 0.00 -1.00 0.00 0.00 32.23 32.18 1irz h LYS 33 CO 0.02 0.26 -0.19 0.87 -2.81 0.00 0.00 179.45 177.60 1irz h LYS 34 N -0.54 0.54 0.00 1.90 1.79 -1.97 -2.40 116.57 115.89 1irz h LYS 34 Ca -0.01 -0.27 -0.01 0.00 -2.18 0.00 0.00 60.65 58.18 1irz h LYS 34 Cb 0.44 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.09 1irz h LYS 34 CO 0.02 0.85 -0.05 0.82 -1.08 0.00 0.00 179.45 180.00 1irz h ILE 35 N 0.25 0.39 -0.99 1.86 2.04 -1.46 -1.15 117.51 118.44 1irz h ILE 35 Ca 0.04 -0.28 0.16 0.00 1.00 0.00 0.00 64.86 65.78 1irz h ILE 35 Cb 0.72 1.20 -0.09 0.00 -0.74 0.00 0.00 36.82 37.91 1irz h ILE 35 CO 0.05 0.05 0.62 0.25 0.00 0.00 0.00 178.15 179.12 1irz h LEU 36 N 0.00 0.80 -0.42 1.44 5.85 -0.05 0.51 115.31 123.44 1irz h LEU 36 Ca -0.00 0.07 -0.18 0.00 0.84 0.00 0.00 57.88 58.61 1irz h LEU 36 Cb 0.19 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.14 1irz h LEU 36 CO 0.01 0.35 -0.65 0.44 -0.34 0.00 0.00 178.44 178.25 1irz h ASP 37 N 0.82 0.63 -0.25 1.25 3.32 -1.29 -2.27 116.42 118.63 1irz h ASP 37 Ca 0.53 -0.38 0.07 0.00 0.02 0.00 0.00 57.03 57.28 1irz h ASP 37 Cb 0.76 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.11 1irz h ASP 37 CO -0.31 1.11 0.19 -0.07 -1.72 0.00 0.00 179.24 178.44 1irz h LEU 38 N 0.40 0.00 0.01 1.55 3.38 0.03 -2.54 115.31 118.14 1irz h LEU 38 Ca -0.01 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 1irz h LEU 38 Cb 1.22 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 1irz h LEU 38 CO 0.12 0.00 -0.47 0.24 0.09 0.00 0.00 178.44 178.42 1irz h MET 39 N 0.00 0.02 -2.46 1.13 2.86 -0.77 -3.47 114.93 112.24 1irz h MET 39 Ca 0.12 -0.03 -0.29 0.00 -2.06 0.00 0.00 59.70 57.43 1irz h MET 39 Cb 0.49 0.01 -0.07 0.00 0.06 0.00 0.00 31.60 32.09 1irz h MET 39 CO -0.00 1.02 -0.32 -1.71 1.06 0.00 0.00 176.91 176.95 1irz n ASN 40 N -4.51 -4.13 -4.81 1.22 5.15 -0.88 -4.91 115.26 102.38 1irz n ASN 40 Ca -0.17 0.25 -0.36 0.00 -0.60 0.00 0.00 54.58 53.69 1irz n ASN 40 Cb 0.57 -3.64 -0.06 0.00 -0.53 0.00 0.00 39.78 36.12 1irz n ASN 40 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1irz s VAL 41 N -2.48 4.49 0.36 3.44 1.01 -1.26 -5.05 120.40 120.92 1irz s VAL 41 Ca 0.00 1.39 -0.22 0.00 0.00 0.00 0.00 61.98 63.16 1irz s VAL 41 Cb 0.00 -3.89 -0.10 0.00 0.00 0.00 0.00 36.38 32.39 1irz s VAL 41 CO 0.00 0.19 0.90 -0.62 0.00 0.00 0.00 175.10 175.57 1irz s ASP 42 N -1.65 7.05 0.00 3.32 2.15 -1.26 -3.30 116.67 122.98 1irz s ASP 42 Ca 0.45 1.65 0.00 0.00 0.43 0.00 0.00 52.55 55.08 1irz s ASP 42 Cb -0.17 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 39.93 1irz s ASP 42 CO 0.21 -0.22 0.00 1.17 -0.17 0.00 0.00 175.17 176.17 1irz n LYS 43 N -0.12 0.00 -3.43 4.34 4.81 -1.26 -4.97 118.16 117.53 1irz n LYS 43 Ca 0.04 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.05 1irz n LYS 43 Cb 0.52 -2.39 -0.10 0.00 0.02 0.00 0.00 35.03 33.08 1irz n LYS 43 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1irz s LEU 44 N 0.00 5.12 0.63 3.14 1.43 -1.21 -5.07 118.68 122.72 1irz s LEU 44 Ca 0.00 -0.90 -0.03 0.00 -1.03 0.00 0.00 54.13 52.17 1irz s LEU 44 Cb 0.00 -2.20 0.05 0.00 0.03 0.00 0.00 46.19 44.07 1irz s LEU 44 CO 0.00 -0.49 0.90 0.42 0.23 0.00 0.00 176.35 177.41 1irz s THR 45 N 1.75 2.49 -0.08 5.49 -4.23 -1.26 -4.88 115.64 114.92 1irz s THR 45 Ca 0.06 -0.46 0.21 0.00 -1.18 0.00 0.00 61.69 60.32 1irz s THR 45 Cb -0.19 -3.01 0.19 0.00 1.34 0.00 0.00 72.50 70.83 1irz s THR 45 CO 0.10 -0.01 1.64 -0.09 -0.54 0.00 0.00 174.62 175.73 1irz h ARG 46 N -0.26 0.00 -0.02 3.99 1.12 -1.97 -3.11 114.38 114.12 1irz h ARG 46 Ca -0.43 0.00 -0.17 0.00 -1.11 0.00 0.00 59.98 58.27 1irz h ARG 46 Cb 1.31 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 31.25 1irz h ARG 46 CO 0.56 0.29 -0.75 0.93 -3.11 0.00 0.00 179.97 177.89 1irz h GLU 47 N 0.00 0.16 -0.28 0.20 4.39 -1.96 -0.94 114.58 116.15 1irz h GLU 47 Ca -0.00 -0.14 -0.11 0.00 0.34 0.00 0.00 59.36 59.44 1irz h GLU 47 Cb 1.04 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.71 1irz h GLU 47 CO 0.04 0.84 -0.29 -0.91 -1.16 0.00 0.00 179.01 177.52 1irz h ASN 48 N 0.10 0.58 1.19 1.42 2.35 -1.93 -0.64 115.58 118.66 1irz h ASN 48 Ca -0.02 -0.22 -0.14 0.00 -0.55 0.00 0.00 56.30 55.37 1irz h ASN 48 Cb 1.32 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 39.51 1irz h ASN 48 CO 0.11 0.85 -0.84 0.58 -1.65 0.00 0.00 177.43 176.48 1irz h VAL 49 N 0.49 0.83 0.00 2.81 2.07 -1.55 -3.16 116.25 117.73 1irz h VAL 49 Ca 0.06 -2.26 -0.08 0.00 0.82 0.00 0.00 66.70 65.24 1irz h VAL 49 Cb 0.75 2.34 -0.01 0.00 -1.52 0.00 0.00 31.29 32.85 1irz h VAL 49 CO 0.06 0.47 -0.37 0.00 0.02 0.00 0.00 177.57 177.75 1irz h ALA 50 N 1.43 0.80 0.02 1.67 0.00 -0.90 -3.01 119.26 119.26 1irz h ALA 50 Ca -0.06 -0.34 -0.16 0.00 0.00 0.00 0.00 54.91 54.36 1irz h ALA 50 Cb 1.49 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 19.23 1irz h ALA 50 CO 0.07 0.46 -0.63 0.77 0.00 0.00 0.00 179.25 179.92 1irz h SER 51 N 0.00 0.52 0.09 0.00 0.02 -1.14 -2.75 113.55 110.30 1irz h SER 51 Ca -0.00 -0.78 -0.03 0.00 -0.84 0.00 0.00 61.79 60.13 1irz h SER 51 Cb 1.19 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.56 1irz h SER 51 CO 0.05 1.24 -0.11 -0.74 -1.14 0.00 0.00 176.83 176.13 1irz h HIS 52 N -0.14 0.06 0.00 3.45 6.17 -1.59 -0.78 115.15 122.32 1irz h HIS 52 Ca -0.08 -0.00 -0.06 0.00 0.71 0.00 0.00 60.37 60.93 1irz h HIS 52 Cb 1.35 -0.02 -0.01 0.00 2.52 0.00 0.00 27.41 31.26 1irz h HIS 52 CO 0.15 0.17 -0.29 1.25 0.71 0.00 0.00 177.93 179.93 1irz h LEU 53 N 0.06 0.00 -0.93 0.26 5.85 -1.51 -3.03 115.31 116.01 1irz h LEU 53 Ca 0.01 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.63 1irz h LEU 53 Cb 0.24 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 1irz h LEU 53 CO 0.02 0.29 -0.39 1.56 -0.34 0.00 0.00 178.44 179.57 1irz h GLN 54 N 0.00 0.28 0.00 1.25 1.08 -0.83 -1.84 115.11 115.06 1irz h GLN 54 Ca -0.00 -0.13 -0.16 0.00 -1.45 0.00 0.00 58.65 56.90 1irz h GLN 54 Cb 0.98 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.38 1irz h GLN 54 CO 0.04 0.64 -0.77 0.87 -0.95 0.00 0.00 178.83 178.65 1irz h LYS 55 N 0.24 0.00 -0.08 1.46 1.57 -1.45 -2.54 116.57 115.77 1irz h LYS 55 Ca 0.02 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.60 1irz h LYS 55 Cb 0.80 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.12 1irz h LYS 55 CO 0.06 0.77 -0.75 0.35 -0.57 0.00 0.00 179.45 179.32 1irz h PHE 56 N 0.00 0.91 -0.34 -1.35 3.57 -1.43 0.24 116.94 118.54 1irz h PHE 56 Ca -0.01 -0.44 -0.03 0.00 3.53 0.00 0.00 57.97 61.03 1irz h PHE 56 Cb 1.41 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 40.01 1irz h PHE 56 CO 0.00 1.26 0.11 0.00 -2.23 0.00 0.00 178.31 177.44 1irz h ARG 57 N 0.31 0.53 -0.09 1.11 3.08 -1.37 0.90 114.38 118.85 1irz h ARG 57 Ca -0.07 -0.11 -0.06 0.00 0.07 0.00 0.00 59.98 59.81 1irz h ARG 57 Cb 1.40 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.36 1irz h ARG 57 CO 0.15 0.56 -0.22 0.28 -1.07 0.00 0.00 179.97 179.67 1irz h VAL 58 N 0.40 1.20 0.00 2.04 2.07 -1.47 -0.21 116.25 120.28 1irz h VAL 58 Ca 0.11 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 66.70 1irz h VAL 58 Cb 0.25 1.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 1irz h VAL 58 CO -0.00 0.28 -0.16 0.00 0.02 0.00 0.00 177.57 177.70 1irz n ALA 59 N -2.49 2.57 1.02 1.67 0.00 0.07 -3.06 120.51 120.29 1irz n ALA 59 Ca -0.01 -0.13 0.11 0.00 0.00 0.00 0.00 53.44 53.41 1irz n ALA 59 Cb 0.31 -1.38 0.33 0.00 0.00 0.00 0.00 19.45 18.72 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 -1.86 2.11 0.03 0.00 4.77 0.31 -2.98 117.00 119.37 1irz n LEU 60 Ca 0.06 -0.88 0.13 0.00 -0.03 0.00 0.00 56.01 55.29 1irz n LEU 60 Cb 0.39 -0.13 0.51 0.00 -2.33 0.00 0.00 43.42 41.85 1irz n LEU 60 CO 0.31 0.44 0.86 2.29 -1.33 0.00 0.00 177.39 179.96 1irz n LYS 61 N 0.62 0.07 0.00 3.23 2.85 -1.08 -4.49 118.16 119.36 1irz n LYS 61 Ca 0.17 0.05 0.00 0.00 -1.05 0.00 0.00 58.31 57.48 1irz n LYS 61 Cb 0.40 -1.58 0.00 0.00 -0.65 0.00 0.00 35.03 33.21 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 -1.70 0.00 -1.10 -1.58 5.02 -1.25 -5.10 118.16 112.45 1irz n LYS 62 Ca 0.06 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.07 1irz n LYS 62 Cb 0.36 -0.14 0.19 0.00 -0.02 0.00 0.00 35.03 35.43 1irz n LYS 62 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1irz s VAL 63 N -1.85 1.99 -2.33 -0.18 0.11 -1.16 -5.19 120.40 111.79 1irz s VAL 63 Ca 0.00 0.00 0.29 0.00 -2.93 0.00 0.00 61.98 59.34 1irz s VAL 63 Cb 0.00 -2.45 0.67 0.00 -1.53 0.00 0.00 36.38 33.07 1irz s VAL 63 CO 0.00 0.00 1.91 -1.54 -3.33 0.00 0.00 175.10 172.14