#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 4.19 -2.24 2.41 0.00 -1.26 -5.00 120.51 118.60 1irz n ALA 2 Ca 0.00 -4.58 0.00 0.00 0.00 0.00 0.00 53.44 48.86 1irz n ALA 2 Cb 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 18.64 1irz n ALA 2 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1irz n GLN 3 N 0.25 -4.82 -1.66 0.00 7.27 -1.26 -4.64 117.38 112.52 1irz n GLN 3 Ca 0.30 3.53 -0.62 0.00 0.07 0.00 0.00 57.00 60.28 1irz n GLN 3 Cb 0.42 -4.41 -0.09 0.00 2.41 0.00 0.00 30.24 28.57 1irz n GLN 3 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 1irz n LYS 4 N 1.69 0.54 -1.44 3.69 3.00 -1.26 -4.54 118.16 119.84 1irz n LYS 4 Ca 0.00 0.19 -0.38 0.00 -0.00 0.00 0.00 58.31 58.12 1irz n LYS 4 Cb 0.00 -1.81 -0.15 0.00 0.00 0.00 0.00 35.03 33.07 1irz n LYS 4 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1irz n LYS 5 N 5.26 0.00 -2.73 1.64 4.81 -1.26 -4.80 118.16 121.07 1irz n LYS 5 Ca 0.33 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.34 1irz n LYS 5 Cb 0.04 -1.40 -0.03 0.00 0.02 0.00 0.00 35.03 33.65 1irz n LYS 5 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1irz s PRO 6 N 8.50 3.85 0.00 1.64 0.04 -1.26 -4.68 135.00 143.09 1irz s PRO 6 Ca 1.30 0.67 0.00 0.00 0.04 0.00 0.00 61.00 63.01 1irz s PRO 6 Cb -1.18 -3.81 0.00 0.00 0.04 0.00 0.00 34.50 29.55 1irz s PRO 6 CO 0.48 -1.03 0.00 0.54 0.04 0.00 0.00 177.00 177.02 1irz n ARG 7 N 7.01 -0.56 -1.52 4.56 5.12 -1.26 -4.27 116.66 125.75 1irz n ARG 7 Ca 0.09 0.57 -0.17 0.00 -1.93 0.00 0.00 57.85 56.41 1irz n ARG 7 Cb 0.48 -0.41 -0.14 0.00 -1.16 0.00 0.00 32.46 31.23 1irz n ARG 7 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1irz n VAL 8 N 1.62 0.00 -0.01 1.55 0.31 -1.26 -4.46 118.33 116.07 1irz n VAL 8 Ca 0.00 -0.48 -0.01 0.00 -0.01 0.00 0.00 64.34 63.84 1irz n VAL 8 Cb 0.04 -1.04 -0.03 0.00 -0.91 0.00 0.00 33.84 31.90 1irz n VAL 8 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1irz n LEU 9 N 12.43 0.00 -2.68 7.52 7.94 -1.26 -4.91 117.00 136.03 1irz n LEU 9 Ca 0.55 0.00 -0.05 0.00 -1.11 0.00 0.00 56.01 55.40 1irz n LEU 9 Cb 0.30 0.07 0.08 0.00 0.53 0.00 0.00 43.42 44.40 1irz n LEU 9 CO 0.79 0.07 0.54 0.79 -1.11 0.00 0.00 177.39 178.48 1irz n TRP 10 N -2.00 -1.19 -4.15 1.96 7.02 -1.26 -5.01 117.44 112.80 1irz n TRP 10 Ca -0.05 -1.01 -0.26 0.00 -1.02 0.00 0.00 57.50 55.16 1irz n TRP 10 Cb 0.48 1.24 -0.06 0.00 -2.42 0.00 0.00 31.31 30.55 1irz n TRP 10 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 1irz s THR 11 N 0.21 1.99 0.57 -0.99 -4.23 -1.26 -4.95 115.64 106.98 1irz s THR 11 Ca 0.25 -1.68 0.30 0.00 -1.18 0.00 0.00 61.69 59.38 1irz s THR 11 Cb 0.24 -2.67 0.43 0.00 1.34 0.00 0.00 72.50 71.83 1irz s THR 11 CO -0.14 0.00 1.84 1.12 -0.54 0.00 0.00 174.62 176.90 1irz h HIS 12 N 1.25 0.00 0.18 3.99 2.07 -2.02 -0.40 115.15 120.22 1irz h HIS 12 Ca -0.41 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.10 1irz h HIS 12 Cb 1.27 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.26 1irz h HIS 12 CO 0.84 0.00 -0.09 1.49 -3.07 0.00 0.00 177.93 177.10 1irz h GLU 13 N 0.00 -0.24 -0.25 5.12 4.81 -2.01 -2.99 114.58 119.03 1irz h GLU 13 Ca 0.33 0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.64 1irz h GLU 13 Cb 1.57 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.99 1irz h GLU 13 CO -0.00 0.17 0.32 -0.07 -0.73 0.00 0.00 179.01 178.70 1irz h LEU 14 N -0.85 0.00 -0.39 1.64 3.38 -1.47 0.92 115.31 118.55 1irz h LEU 14 Ca -0.03 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.76 1irz h LEU 14 Cb 0.52 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 1irz h LEU 14 CO 0.04 0.00 -0.66 -0.74 0.09 0.00 0.00 178.44 177.18 1irz h HIS 15 N 0.00 0.75 0.00 1.13 2.76 -1.23 -2.39 115.15 116.18 1irz h HIS 15 Ca 0.12 -0.30 -0.06 0.00 -2.20 0.00 0.00 60.37 57.92 1irz h HIS 15 Cb 0.76 -0.13 -0.01 0.00 1.55 0.00 0.00 27.41 29.59 1irz h HIS 15 CO 0.00 1.07 -0.29 -0.91 -1.30 0.00 0.00 177.93 176.50 1irz h ASN 16 N 0.42 0.00 0.19 3.26 4.21 -0.68 -2.20 115.58 120.78 1irz h ASN 16 Ca -0.02 0.00 -0.28 0.00 1.21 0.00 0.00 56.30 57.22 1irz h ASN 16 Cb 1.23 0.00 0.03 0.00 -1.12 0.00 0.00 38.32 38.46 1irz h ASN 16 CO 0.12 0.29 -1.20 0.11 -1.29 0.00 0.00 177.43 175.47 1irz h LYS 17 N 0.00 0.47 0.00 0.81 1.57 -1.37 -2.60 116.57 115.46 1irz h LYS 17 Ca -0.00 -0.77 -0.04 0.00 -1.87 0.00 0.00 60.65 57.97 1irz h LYS 17 Cb 0.79 0.28 -0.01 0.00 0.08 0.00 0.00 32.23 33.38 1irz h LYS 17 CO 0.04 1.36 -0.18 0.35 -0.57 0.00 0.00 179.45 180.45 1irz h PHE 18 N -0.02 0.00 0.16 -1.35 3.04 -1.37 -1.42 116.94 115.99 1irz h PHE 18 Ca -0.20 0.00 -0.21 0.00 3.98 0.00 0.00 57.97 61.53 1irz h PHE 18 Cb 1.93 0.00 0.02 0.00 2.56 0.00 0.00 35.95 40.47 1irz h PHE 18 CO 0.15 0.18 -0.94 -0.07 -2.02 0.00 0.00 178.31 175.61 1irz h LEU 19 N 0.00 0.52 -1.08 0.59 3.38 -1.42 -2.66 115.31 114.63 1irz h LEU 19 Ca -0.00 -0.95 -0.03 0.00 0.09 0.00 0.00 57.88 56.99 1irz h LEU 19 Cb 0.64 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 1irz h LEU 19 CO 0.02 1.45 -0.16 0.00 0.09 0.00 0.00 178.44 179.84 1irz h ALA 20 N 0.08 1.00 0.02 1.53 0.00 -1.38 -1.95 119.26 118.57 1irz h ALA 20 Ca -0.17 -0.15 -0.17 0.00 0.00 0.00 0.00 54.91 54.43 1irz h ALA 20 Cb 1.73 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 19.51 1irz h ALA 20 CO 0.17 0.20 -0.66 0.00 0.00 0.00 0.00 179.25 178.96 1irz h ALA 21 N 1.84 0.06 -0.16 0.00 0.00 -1.30 -1.26 119.26 118.43 1irz h ALA 21 Ca -0.00 -0.59 -0.01 0.00 0.00 0.00 0.00 54.91 54.30 1irz h ALA 21 Cb 0.73 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1irz h ALA 21 CO 0.02 0.38 0.05 0.28 0.00 0.00 0.00 179.25 179.98 1irz h VAL 22 N -0.10 1.18 -0.61 0.00 2.07 -1.35 -2.49 116.25 114.95 1irz h VAL 22 Ca -0.09 -0.57 0.01 0.00 0.82 0.00 0.00 66.70 66.88 1irz h VAL 22 Cb 1.38 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 32.38 1irz h VAL 22 CO 0.13 0.17 0.40 -0.78 0.02 0.00 0.00 177.57 177.51 1irz h ASP 23 N 0.08 0.67 -0.06 0.57 3.58 -1.42 0.58 116.42 120.41 1irz h ASP 23 Ca 0.05 -0.01 0.02 0.00 0.42 0.00 0.00 57.03 57.51 1irz h ASP 23 Cb 0.22 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 41.11 1irz h ASP 23 CO -0.00 0.48 0.11 -0.74 -2.88 0.00 0.00 179.24 176.20 1irz h HIS 24 N 0.80 0.00 -0.01 0.28 2.76 -0.96 -0.87 115.15 117.15 1irz h HIS 24 Ca 0.23 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.40 1irz h HIS 24 Cb -0.05 0.00 0.00 0.00 1.55 0.00 0.00 27.41 28.91 1irz h HIS 24 CO -0.04 0.00 -0.24 1.28 -1.30 0.00 0.00 177.93 177.63 1irz n LEU 25 N -3.51 1.25 -0.74 0.26 4.77 -0.20 -5.07 117.00 113.76 1irz n LEU 25 Ca -0.01 -0.75 0.00 0.00 -0.03 0.00 0.00 56.01 55.21 1irz n LEU 25 Cb 0.20 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1irz n LEU 25 CO 0.24 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 1irz n GLY 26 N 0.95 -1.78 0.32 -0.72 0.00 0.19 -4.15 105.19 100.00 1irz n GLY 26 Ca 0.04 -0.69 0.14 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.24 1.61 3.04 -1.81 0.60 116.25 119.45 1irz h VAL 27 Ca 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 66.70 65.64 1irz h VAL 27 Cb 0.00 0.61 -0.01 0.00 -2.01 0.00 0.00 31.29 29.89 1irz h VAL 27 CO 0.00 0.00 -0.06 -0.33 -1.01 0.00 0.00 177.57 176.17 1irz h GLU 28 N 0.00 0.47 -0.12 4.17 5.08 -1.90 -3.28 114.58 119.01 1irz h GLU 28 Ca 0.00 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 1irz h GLU 28 Cb 0.70 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.92 1irz h GLU 28 CO 0.00 0.70 0.00 0.54 -1.00 0.00 0.00 179.01 179.25 1irz n ARG 29 N -4.56 2.54 -2.18 2.33 3.00 -0.17 -4.97 116.66 112.64 1irz n ARG 29 Ca -0.04 -2.10 -0.41 0.00 -0.01 0.00 0.00 57.85 55.29 1irz n ARG 29 Cb 0.30 -1.32 -0.03 0.00 0.00 0.00 0.00 32.46 31.41 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 -1.75 2.67 0.38 7.54 0.00 0.19 -4.95 121.76 125.84 1irz s ALA 30 Ca 0.20 -0.37 -0.00 0.00 0.00 0.00 0.00 51.96 51.79 1irz s ALA 30 Cb 0.15 -4.12 -0.03 0.00 0.00 0.00 0.00 23.12 19.12 1irz s ALA 30 CO 0.06 -3.07 0.60 0.14 0.00 0.00 0.00 175.76 173.48 1irz s VAL 31 N 7.08 4.96 0.15 0.00 -7.23 -1.26 -4.94 120.40 119.16 1irz s VAL 31 Ca 0.65 -0.37 0.10 0.00 -1.81 0.00 0.00 61.98 60.55 1irz s VAL 31 Cb -0.15 -3.82 -0.10 0.00 0.56 0.00 0.00 36.38 32.87 1irz s VAL 31 CO 0.27 -0.58 1.44 1.55 -0.31 0.00 0.00 175.10 177.47 1irz h PRO 32 N 0.63 0.00 -0.03 4.82 0.13 -1.95 -2.51 132.00 133.10 1irz h PRO 32 Ca -0.49 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1irz h PRO 32 Cb 1.22 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 1irz h PRO 32 CO 0.61 0.78 0.00 -0.22 -0.23 0.00 0.00 178.00 178.94 1irz h LYS 33 N 0.00 0.04 -0.27 0.86 3.11 -1.94 0.85 116.57 119.22 1irz h LYS 33 Ca -0.01 -0.01 -0.06 0.00 -2.81 0.00 0.00 60.65 57.76 1irz h LYS 33 Cb 1.44 -0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.66 1irz h LYS 33 CO 0.10 0.32 -0.06 0.87 -2.81 0.00 0.00 179.45 177.87 1irz h LYS 34 N -0.24 0.52 0.00 1.90 1.57 -1.98 -2.18 116.57 116.16 1irz h LYS 34 Ca 0.01 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.58 1irz h LYS 34 Cb 0.30 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.58 1irz h LYS 34 CO 0.00 0.73 -0.05 0.82 -0.57 0.00 0.00 179.45 180.38 1irz h ILE 35 N 0.28 0.37 -0.89 1.86 2.04 -1.41 -0.86 117.51 118.90 1irz h ILE 35 Ca 0.07 -0.26 0.15 0.00 1.00 0.00 0.00 64.86 65.82 1irz h ILE 35 Cb 0.53 1.18 -0.07 0.00 -0.74 0.00 0.00 36.82 37.72 1irz h ILE 35 CO 0.03 0.05 0.57 0.25 0.00 0.00 0.00 178.15 179.05 1irz h LEU 36 N 0.00 0.62 -0.46 1.44 5.85 -0.14 0.57 115.31 123.20 1irz h LEU 36 Ca -0.00 0.04 -0.17 0.00 0.84 0.00 0.00 57.88 58.59 1irz h LEU 36 Cb 0.18 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 1irz h LEU 36 CO 0.01 0.31 -0.77 -2.24 -0.34 0.00 0.00 178.44 175.41 1irz h ASP 37 N 0.66 0.13 -0.30 1.25 2.03 -1.22 -2.04 116.42 116.93 1irz h ASP 37 Ca 0.45 -0.10 0.01 0.00 -0.73 0.00 0.00 57.03 56.66 1irz h ASP 37 Cb 0.77 -0.04 -0.02 0.00 -0.83 0.00 0.00 39.33 39.21 1irz h ASP 37 CO -0.20 0.85 0.20 -0.07 -1.03 0.00 0.00 179.24 178.98 1irz h LEU 38 N 0.07 0.32 0.00 0.15 3.38 0.16 -2.95 115.31 116.44 1irz h LEU 38 Ca -0.02 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.84 1irz h LEU 38 Cb 1.35 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 42.00 1irz h LEU 38 CO 0.11 0.23 -0.56 0.24 0.09 0.00 0.00 178.44 178.55 1irz h MET 39 N 0.37 0.00 -2.31 1.13 2.86 -1.09 -3.47 114.93 112.43 1irz h MET 39 Ca 0.11 -0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.51 1irz h MET 39 Cb 0.00 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 31.59 1irz h MET 39 CO -0.02 1.00 -0.26 -1.71 1.06 0.00 0.00 176.91 176.98 1irz n ASN 40 N -4.53 -3.44 -4.84 1.22 4.05 -0.78 -4.90 115.26 102.04 1irz n ASN 40 Ca -0.20 0.26 -0.32 0.00 0.45 0.00 0.00 54.58 54.77 1irz n ASN 40 Cb 0.57 -3.12 -0.05 0.00 1.23 0.00 0.00 39.78 38.40 1irz n ASN 40 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1irz s VAL 41 N -2.24 4.55 0.27 3.44 1.01 -1.26 -5.05 120.40 121.11 1irz s VAL 41 Ca 0.00 1.18 -0.12 0.00 0.00 0.00 0.00 61.98 63.04 1irz s VAL 41 Cb 0.00 -3.65 -0.08 0.00 0.00 0.00 0.00 36.38 32.65 1irz s VAL 41 CO 0.00 -0.43 0.63 -1.81 0.00 0.00 0.00 175.10 173.49 1irz s ASP 42 N -2.59 6.68 0.00 3.32 1.01 -1.26 -3.75 116.67 120.09 1irz s ASP 42 Ca 0.58 1.07 0.00 0.00 0.71 0.00 0.00 52.55 54.91 1irz s ASP 42 Cb -0.10 -2.29 0.00 0.00 1.01 0.00 0.00 42.92 41.55 1irz s ASP 42 CO 0.22 -0.13 0.00 1.17 0.21 0.00 0.00 175.17 176.64 1irz n LYS 43 N -0.24 0.00 -3.33 8.23 4.81 -1.26 -4.96 118.16 121.41 1irz n LYS 43 Ca 0.02 0.00 -0.45 0.00 -0.87 0.00 0.00 58.31 57.01 1irz n LYS 43 Cb 0.53 -2.56 -0.07 0.00 0.02 0.00 0.00 35.03 32.94 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 5.63 0.62 3.14 1.43 -1.25 -5.06 118.68 123.20 1irz s LEU 44 Ca 0.00 -1.36 -0.09 0.00 -1.03 0.00 0.00 54.13 51.65 1irz s LEU 44 Cb 0.00 -2.23 -0.01 0.00 0.03 0.00 0.00 46.19 43.98 1irz s LEU 44 CO 0.00 -0.74 0.98 0.42 0.23 0.00 0.00 176.35 177.24 1irz s THR 45 N 1.80 4.08 0.03 5.49 -4.23 -1.26 -4.92 115.64 116.63 1irz s THR 45 Ca 0.06 0.42 0.32 0.00 -1.18 0.00 0.00 61.69 61.31 1irz s THR 45 Cb -0.25 -3.64 0.37 0.00 1.34 0.00 0.00 72.50 70.33 1irz s THR 45 CO 0.07 -0.76 1.96 0.08 -0.54 0.00 0.00 174.62 175.42 1irz h ARG 46 N -0.31 0.00 0.00 3.99 0.11 -1.97 -2.39 114.38 113.82 1irz h ARG 46 Ca -0.45 0.00 -0.14 0.00 0.10 0.00 0.00 59.98 59.49 1irz h ARG 46 Cb 1.23 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.29 1irz h ARG 46 CO 0.62 0.00 -0.67 1.49 0.10 0.00 0.00 179.97 181.51 1irz h GLU 47 N 0.00 0.00 -0.28 0.08 4.81 -1.96 -0.92 114.58 116.31 1irz h GLU 47 Ca 0.00 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.08 1irz h GLU 47 Cb 0.46 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.84 1irz h GLU 47 CO 0.00 0.64 -0.41 -0.91 -0.73 0.00 0.00 179.01 177.60 1irz h ASN 48 N 0.00 0.85 0.78 1.04 -0.26 -1.80 -1.50 115.58 114.68 1irz h ASN 48 Ca -0.01 -0.51 -0.25 0.00 -0.56 0.00 0.00 56.30 54.97 1irz h ASN 48 Cb 1.50 -0.24 -0.03 0.00 -1.06 0.00 0.00 38.32 38.49 1irz h ASN 48 CO 0.08 1.19 -1.26 0.58 -1.06 0.00 0.00 177.43 176.96 1irz h VAL 49 N 0.53 1.41 0.00 2.81 2.07 -1.61 -3.22 116.25 118.23 1irz h VAL 49 Ca 0.03 -3.14 -0.00 0.00 0.82 0.00 0.00 66.70 64.40 1irz h VAL 49 Cb 1.01 2.73 -0.00 0.00 -1.52 0.00 0.00 31.29 33.50 1irz h VAL 49 CO 0.10 0.82 -0.00 0.00 0.02 0.00 0.00 177.57 178.51 1irz h ALA 50 N 0.92 1.00 0.00 1.67 0.00 -1.15 -2.99 119.26 118.72 1irz h ALA 50 Ca -0.12 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1irz h ALA 50 Cb 1.87 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.66 1irz h ALA 50 CO 0.12 0.00 -0.00 0.77 0.00 0.00 0.00 179.25 180.14 1irz h SER 51 N 0.00 -0.00 -0.38 0.00 0.02 -1.28 -1.79 113.55 110.12 1irz h SER 51 Ca -0.00 -0.78 0.08 0.00 -0.84 0.00 0.00 61.79 60.25 1irz h SER 51 Cb 0.57 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.09 1irz h SER 51 CO 0.00 0.79 0.26 -0.74 -1.14 0.00 0.00 176.83 176.00 1irz h HIS 52 N -0.79 0.15 0.00 3.45 6.17 -1.59 0.10 115.15 122.64 1irz h HIS 52 Ca -0.00 0.00 -0.15 0.00 0.71 0.00 0.00 60.37 60.93 1irz h HIS 52 Cb 0.79 -0.05 -0.02 0.00 2.52 0.00 0.00 27.41 30.65 1irz h HIS 52 CO 0.20 0.08 -0.72 1.25 0.71 0.00 0.00 177.93 179.45 1irz h LEU 53 N 0.14 0.00 -1.41 0.26 5.85 -1.51 -3.15 115.31 115.50 1irz h LEU 53 Ca 0.17 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.84 1irz h LEU 53 Cb 0.51 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 1irz h LEU 53 CO -0.02 0.72 -0.24 1.56 -0.34 0.00 0.00 178.44 180.11 1irz h GLN 54 N 0.00 0.00 0.00 1.25 4.20 0.11 -2.28 115.11 118.40 1irz h GLN 54 Ca -0.01 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.60 1irz h GLN 54 Cb 1.52 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.29 1irz h GLN 54 CO 0.09 0.24 -0.48 0.87 -0.67 0.00 0.00 178.83 178.89 1irz h LYS 55 N 0.00 0.00 0.00 1.46 1.57 -1.41 -1.68 116.57 116.51 1irz h LYS 55 Ca -0.00 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1irz h LYS 55 Cb 0.61 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 1irz h LYS 55 CO 0.03 0.48 -0.21 0.35 -0.57 0.00 0.00 179.45 179.53 1irz h PHE 56 N 0.00 0.00 -1.01 -1.35 3.57 -1.53 -1.96 116.94 114.66 1irz h PHE 56 Ca -0.00 0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.61 1irz h PHE 56 Cb 0.92 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 39.58 1irz h PHE 56 CO 0.00 0.90 0.64 0.00 -2.23 0.00 0.00 178.31 177.62 1irz h ARG 57 N -1.00 0.99 -0.53 1.11 3.08 -1.48 0.56 114.38 117.11 1irz h ARG 57 Ca -0.05 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 59.89 1irz h ARG 57 Cb 0.89 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.70 1irz h ARG 57 CO -0.03 0.65 0.13 0.28 -1.07 0.00 0.00 179.97 179.93 1irz h VAL 58 N 1.02 1.24 0.00 2.04 2.07 -1.39 0.42 116.25 121.65 1irz h VAL 58 Ca 0.49 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1irz h VAL 58 Cb 0.46 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1irz h VAL 58 CO -0.26 0.31 0.00 0.00 0.02 0.00 0.00 177.57 177.65 1irz n ALA 59 N -2.39 1.64 0.61 1.67 0.00 0.60 -1.84 120.51 120.79 1irz n ALA 59 Ca 0.02 0.02 0.09 0.00 0.00 0.00 0.00 53.44 53.57 1irz n ALA 59 Cb 0.23 -1.30 -0.12 0.00 0.00 0.00 0.00 19.45 18.26 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 0.61 0.00 0.00 4.77 0.16 -4.58 117.00 116.10 1irz n LEU 60 Ca 0.03 -0.35 0.00 0.00 -0.03 0.00 0.00 56.01 55.65 1irz n LEU 60 Cb 0.19 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1irz n LEU 60 CO 0.16 0.15 0.03 1.17 -1.33 0.00 0.00 177.39 177.58 1irz n LYS 61 N -1.64 0.00 -2.54 3.23 3.00 0.13 -4.41 118.16 115.93 1irz n LYS 61 Ca 0.01 0.18 -0.43 0.00 -0.00 0.00 0.00 58.31 58.07 1irz n LYS 61 Cb 0.34 -0.73 0.00 0.00 0.00 0.00 0.00 35.03 34.64 1irz n LYS 61 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1irz n LYS 62 N -1.04 3.22 -3.45 1.64 4.81 -1.22 -4.83 118.16 117.29 1irz n LYS 62 Ca 0.00 -3.34 0.01 0.00 -0.87 0.00 0.00 58.31 54.12 1irz n LYS 62 Cb 0.00 -3.33 -0.03 0.00 0.02 0.00 0.00 35.03 31.68 1irz n LYS 62 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1irz s VAL 63 N 3.27 -0.88 -2.40 3.15 0.11 -1.26 -4.97 120.40 117.41 1irz s VAL 63 Ca 0.50 0.00 0.19 0.00 -2.93 0.00 0.00 61.98 59.74 1irz s VAL 63 Cb 0.04 -1.00 0.15 0.00 -1.53 0.00 0.00 36.38 34.04 1irz s VAL 63 CO 0.04 0.00 1.11 -0.24 -3.33 0.00 0.00 175.10 172.67