#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 -2.66 6.98 0.00 -1.26 -5.05 120.51 118.52 1irz n ALA 2 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1irz n ALA 2 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.47 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 -0.06 -1.20 -3.41 0.00 1.13 -1.26 -5.03 117.38 107.54 1irz n GLN 3 Ca 0.00 0.96 -0.20 0.00 -1.94 0.00 0.00 57.00 55.82 1irz n GLN 3 Cb 0.00 -4.54 -0.10 0.00 0.11 0.00 0.00 30.24 25.71 1irz n GLN 3 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 1irz s LYS 4 N -3.41 0.45 -0.32 -1.09 2.20 -1.26 -5.09 119.74 111.22 1irz s LYS 4 Ca 0.13 -0.61 0.03 0.00 -0.36 0.00 0.00 55.97 55.16 1irz s LYS 4 Cb -0.02 -0.83 0.09 0.00 -1.51 0.00 0.00 37.83 35.57 1irz s LYS 4 CO 0.53 -1.11 0.04 0.21 -0.36 0.00 0.00 175.35 174.66 1irz s LYS 5 N 1.81 1.37 -0.37 4.03 2.20 -1.26 -5.07 119.74 122.45 1irz s LYS 5 Ca 0.13 -1.60 -0.29 0.00 -0.36 0.00 0.00 55.97 53.85 1irz s LYS 5 Cb -0.16 -2.87 0.02 0.00 -1.51 0.00 0.00 37.83 33.30 1irz s LYS 5 CO -0.18 -0.90 1.19 -1.25 -0.36 0.00 0.00 175.35 173.84 1irz s PRO 6 N 1.11 3.89 -0.33 4.03 0.04 -1.26 -4.24 135.00 138.23 1irz s PRO 6 Ca 0.08 0.97 -0.08 0.00 0.04 0.00 0.00 61.00 62.01 1irz s PRO 6 Cb -0.19 -3.85 0.01 0.00 0.04 0.00 0.00 34.50 30.51 1irz s PRO 6 CO -0.12 -1.15 0.30 0.54 0.04 0.00 0.00 177.00 176.61 1irz n ARG 7 N 7.37 -2.58 -1.48 4.56 3.00 -1.26 -4.76 116.66 121.50 1irz n ARG 7 Ca 0.13 2.22 -0.58 0.00 -0.01 0.00 0.00 57.85 59.61 1irz n ARG 7 Cb 0.48 -5.09 -0.08 0.00 0.00 0.00 0.00 32.46 27.76 1irz n ARG 7 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1irz n VAL 8 N 0.10 0.02 0.03 1.55 0.31 -1.26 -4.87 118.33 114.20 1irz n VAL 8 Ca 0.06 -0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.38 1irz n VAL 8 Cb 0.23 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 33.15 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 1.49 1.10 0.00 7.52 7.94 -1.26 -4.93 117.00 128.85 1irz n LEU 9 Ca 0.20 0.15 0.00 0.00 -1.11 0.00 0.00 56.01 55.24 1irz n LEU 9 Cb 0.08 -0.36 0.00 0.00 0.53 0.00 0.00 43.42 43.67 1irz n LEU 9 CO 0.60 -0.68 0.00 0.79 -1.11 0.00 0.00 177.39 176.99 1irz n TRP 10 N -3.51 0.00 -2.19 1.96 5.03 -1.26 -5.01 117.44 112.45 1irz n TRP 10 Ca -0.02 0.00 -0.29 0.00 3.03 0.00 0.00 57.50 60.23 1irz n TRP 10 Cb 0.06 0.00 0.02 0.00 -1.03 0.00 0.00 31.31 30.36 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 0.00 4.06 0.60 -0.99 -4.23 -1.26 -4.83 115.64 108.99 1irz s THR 11 Ca 0.00 0.35 0.29 0.00 -1.18 0.00 0.00 61.69 61.15 1irz s THR 11 Cb 0.00 -3.62 0.36 0.00 1.34 0.00 0.00 72.50 70.58 1irz s THR 11 CO 0.00 -0.72 2.03 -0.74 -0.54 0.00 0.00 174.62 174.65 1irz h HIS 12 N -0.26 0.00 0.08 3.99 2.76 -2.02 -0.15 115.15 119.55 1irz h HIS 12 Ca -0.45 0.00 -0.18 0.00 -2.20 0.00 0.00 60.37 57.54 1irz h HIS 12 Cb 1.23 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 30.19 1irz h HIS 12 CO 0.54 0.00 -0.90 1.49 -1.30 0.00 0.00 177.93 177.75 1irz h GLU 13 N 0.00 0.16 0.00 5.26 4.57 -2.01 -3.28 114.58 119.28 1irz h GLU 13 Ca 0.12 -0.27 0.00 0.00 -1.18 0.00 0.00 59.36 58.02 1irz h GLU 13 Cb 0.70 0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.40 1irz h GLU 13 CO -0.00 1.13 0.00 -0.07 -1.18 0.00 0.00 179.01 178.89 1irz h LEU 14 N -0.60 0.00 -0.07 1.64 3.38 -1.64 -1.17 115.31 116.85 1irz h LEU 14 Ca -0.20 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.72 1irz h LEU 14 Cb 1.48 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.22 1irz h LEU 14 CO 0.02 0.00 -0.23 -0.74 0.09 0.00 0.00 178.44 177.59 1irz h HIS 15 N 0.00 0.00 0.00 1.13 2.76 -1.15 -3.12 115.15 114.77 1irz h HIS 15 Ca 0.00 0.00 -0.10 0.00 -2.20 0.00 0.00 60.37 58.07 1irz h HIS 15 Cb 0.24 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.19 1irz h HIS 15 CO 0.00 0.23 -0.47 -0.91 -1.30 0.00 0.00 177.93 175.47 1irz h ASN 16 N 0.00 0.00 0.35 3.26 4.21 -1.26 -0.37 115.58 121.77 1irz h ASN 16 Ca -0.00 0.00 -0.32 0.00 1.21 0.00 0.00 56.30 57.18 1irz h ASN 16 Cb 1.15 0.00 0.03 0.00 -1.12 0.00 0.00 38.32 38.38 1irz h ASN 16 CO 0.03 0.47 -1.45 0.11 -1.29 0.00 0.00 177.43 175.31 1irz h LYS 17 N 0.00 0.47 0.00 0.81 1.57 -1.60 -2.74 116.57 115.08 1irz h LYS 17 Ca -0.00 -0.80 -0.07 0.00 -1.87 0.00 0.00 60.65 57.91 1irz h LYS 17 Cb 0.93 0.30 -0.01 0.00 0.08 0.00 0.00 32.23 33.53 1irz h LYS 17 CO 0.06 1.38 -0.32 0.35 -0.57 0.00 0.00 179.45 180.35 1irz h PHE 18 N 0.13 0.00 -0.00 -1.35 3.57 -1.48 -2.29 116.94 115.51 1irz h PHE 18 Ca -0.23 0.00 -0.22 0.00 3.53 0.00 0.00 57.97 61.04 1irz h PHE 18 Cb 2.12 0.00 0.02 0.00 2.79 0.00 0.00 35.95 40.88 1irz h PHE 18 CO 0.11 0.32 -0.87 -0.07 -2.23 0.00 0.00 178.31 175.58 1irz h LEU 19 N 0.00 0.77 -0.75 0.59 3.38 -1.10 -1.92 115.31 116.29 1irz h LEU 19 Ca -0.00 -0.74 -0.07 0.00 0.09 0.00 0.00 57.88 57.15 1irz h LEU 19 Cb 1.04 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 1irz h LEU 19 CO 0.04 1.41 -0.33 0.00 0.09 0.00 0.00 178.44 179.66 1irz h ALA 20 N 0.37 0.92 0.07 1.53 0.00 -1.47 -1.79 119.26 118.90 1irz h ALA 20 Ca -0.11 -0.30 -0.24 0.00 0.00 0.00 0.00 54.91 54.27 1irz h ALA 20 Cb 1.54 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 19.30 1irz h ALA 20 CO 0.17 0.41 -0.97 0.00 0.00 0.00 0.00 179.25 178.86 1irz h ALA 21 N 1.67 0.02 -0.27 0.00 0.00 -1.39 -1.42 119.26 117.87 1irz h ALA 21 Ca -0.00 -0.69 -0.05 0.00 0.00 0.00 0.00 54.91 54.17 1irz h ALA 21 Cb 0.96 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1irz h ALA 21 CO 0.04 0.55 -0.02 0.28 0.00 0.00 0.00 179.25 180.10 1irz h VAL 22 N 0.10 1.27 -0.43 0.00 2.07 -1.30 -2.13 116.25 115.83 1irz h VAL 22 Ca -0.14 -0.97 -0.01 0.00 0.82 0.00 0.00 66.70 66.40 1irz h VAL 22 Cb 1.68 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 32.79 1irz h VAL 22 CO 0.19 0.31 0.23 -0.78 0.02 0.00 0.00 177.57 177.54 1irz h ASP 23 N 0.25 0.54 0.22 0.57 3.58 -1.39 0.79 116.42 120.97 1irz h ASP 23 Ca 0.07 -0.09 -0.01 0.00 0.42 0.00 0.00 57.03 57.42 1irz h ASP 23 Cb 0.46 -0.14 -0.00 0.00 1.72 0.00 0.00 39.33 41.37 1irz h ASP 23 CO 0.02 0.47 -0.04 -0.74 -2.88 0.00 0.00 179.24 176.07 1irz h HIS 24 N 0.56 0.00 -0.01 0.28 2.76 -1.13 -1.93 115.15 115.67 1irz h HIS 24 Ca 0.15 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.32 1irz h HIS 24 Cb 0.06 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.02 1irz h HIS 24 CO -0.02 0.04 -0.21 1.28 -1.30 0.00 0.00 177.93 177.72 1irz n LEU 25 N -3.53 1.66 -1.29 0.26 4.77 -0.65 -5.06 117.00 113.15 1irz n LEU 25 Ca -0.02 -0.83 -0.00 0.00 -0.03 0.00 0.00 56.01 55.13 1irz n LEU 25 Cb 0.15 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1irz n LEU 25 CO 0.27 0.32 -0.07 0.61 -1.33 0.00 0.00 177.39 177.18 1irz n GLY 26 N 0.98 -3.22 0.35 -0.72 0.00 0.27 -3.95 105.19 98.90 1irz n GLY 26 Ca 0.06 -0.40 0.15 0.00 0.00 0.00 0.00 46.02 45.83 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 0.57 0.06 -0.38 1.61 3.04 -1.79 0.60 116.25 119.95 1irz h VAL 27 Ca -0.02 0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.64 1irz h VAL 27 Cb 0.04 0.57 -0.02 0.00 -2.01 0.00 0.00 31.29 29.88 1irz h VAL 27 CO 0.00 0.00 0.13 -0.08 -1.01 0.00 0.00 177.57 176.61 1irz h GLU 28 N 0.00 0.58 -0.11 4.17 4.22 -1.89 -3.21 114.58 118.34 1irz h GLU 28 Ca 0.04 -0.12 0.00 0.00 0.08 0.00 0.00 59.36 59.36 1irz h GLU 28 Cb 0.93 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.09 1irz h GLU 28 CO -0.00 0.58 0.00 0.54 -2.18 0.00 0.00 179.01 177.95 1irz n ARG 29 N -4.63 2.55 -2.80 1.92 1.74 0.24 -4.98 116.66 110.69 1irz n ARG 29 Ca -0.01 -2.07 -0.42 0.00 -0.77 0.00 0.00 57.85 54.58 1irz n ARG 29 Cb 0.17 -1.30 -0.03 0.00 -1.02 0.00 0.00 32.46 30.28 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 -1.71 3.60 0.25 7.54 0.00 0.18 -4.95 121.76 126.67 1irz s ALA 30 Ca 0.19 -0.12 0.07 0.00 0.00 0.00 0.00 51.96 52.10 1irz s ALA 30 Cb 0.14 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.79 1irz s ALA 30 CO 0.05 -1.14 0.20 0.14 0.00 0.00 0.00 175.76 175.02 1irz s VAL 31 N 3.12 4.48 0.02 0.00 -7.23 -1.26 -4.88 120.40 114.65 1irz s VAL 31 Ca 0.39 -1.39 0.15 0.00 -1.81 0.00 0.00 61.98 59.32 1irz s VAL 31 Cb -0.14 -3.42 0.06 0.00 0.56 0.00 0.00 36.38 33.43 1irz s VAL 31 CO 0.10 -0.35 1.55 1.55 -0.31 0.00 0.00 175.10 177.64 1irz h PRO 32 N 1.48 0.00 0.06 4.82 0.13 -1.92 -1.90 132.00 134.66 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 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1irz h PRO 32 CO 0.61 0.51 -0.03 -0.22 -0.23 0.00 0.00 178.00 178.64 1irz h LYS 33 N 0.00 -0.08 -0.33 0.86 3.11 -1.95 0.16 116.57 118.34 1irz h LYS 33 Ca -0.01 0.01 -0.14 0.00 -2.81 0.00 0.00 60.65 57.70 1irz h LYS 33 Cb 1.22 0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 32.47 1irz h LYS 33 CO 0.07 0.35 -0.33 0.87 -2.81 0.00 0.00 179.45 177.59 1irz h LYS 34 N -0.52 0.81 0.00 1.90 1.57 -1.99 -2.51 116.57 115.84 1irz h LYS 34 Ca -0.01 -0.43 -0.03 0.00 -1.87 0.00 0.00 60.65 58.31 1irz h LYS 34 Cb 0.46 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.78 1irz h LYS 34 CO 0.01 1.06 -0.13 0.82 -0.57 0.00 0.00 179.45 180.64 1irz h ILE 35 N 0.59 0.57 -0.97 1.86 2.04 -1.36 -1.67 117.51 118.58 1irz h ILE 35 Ca 0.05 -0.61 0.16 0.00 1.00 0.00 0.00 64.86 65.46 1irz h ILE 35 Cb 0.92 1.40 -0.09 0.00 -0.74 0.00 0.00 36.82 38.31 1irz h ILE 35 CO 0.08 0.13 0.61 0.25 0.00 0.00 0.00 178.15 179.23 1irz h LEU 36 N 0.00 0.77 -0.50 1.44 5.85 -0.20 0.57 115.31 123.24 1irz h LEU 36 Ca -0.00 0.06 -0.17 0.00 0.84 0.00 0.00 57.88 58.61 1irz h LEU 36 Cb 0.39 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 1irz h LEU 36 CO 0.02 0.35 -0.63 0.44 -0.34 0.00 0.00 178.44 178.27 1irz h ASP 37 N 0.79 0.51 -0.41 1.25 3.32 -1.38 -2.85 116.42 117.65 1irz h ASP 37 Ca 0.51 -0.30 0.05 0.00 0.02 0.00 0.00 57.03 57.32 1irz h ASP 37 Cb 0.76 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.14 1irz h ASP 37 CO -0.28 1.01 0.28 -0.07 -1.72 0.00 0.00 179.24 178.45 1irz h LEU 38 N 0.32 0.29 -0.19 1.55 3.38 0.19 -1.87 115.31 118.98 1irz h LEU 38 Ca -0.01 -0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.83 1irz h LEU 38 Cb 1.18 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1irz h LEU 38 CO 0.11 0.19 -0.37 0.24 0.09 0.00 0.00 178.44 178.71 1irz h MET 39 N 0.33 0.59 -2.83 1.13 2.86 -0.90 -3.46 114.93 112.65 1irz h MET 39 Ca 0.18 -0.38 -0.31 0.00 -2.06 0.00 0.00 59.70 57.13 1irz h MET 39 Cb 0.29 0.05 -0.05 0.00 0.06 0.00 0.00 31.60 31.94 1irz h MET 39 CO -0.04 0.99 -0.37 -1.71 1.06 0.00 0.00 176.91 176.84 1irz n ASN 40 N -4.28 -4.51 -4.90 1.22 5.15 -0.70 -4.93 115.26 102.31 1irz n ASN 40 Ca -0.06 0.20 -0.32 0.00 -0.60 0.00 0.00 54.58 53.79 1irz n ASN 40 Cb 0.52 -3.88 -0.05 0.00 -0.53 0.00 0.00 39.78 35.84 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 -2.64 5.26 0.32 3.44 1.01 -1.26 -5.08 120.40 121.44 1irz s VAL 41 Ca 0.00 -0.01 -0.18 0.00 0.00 0.00 0.00 61.98 61.80 1irz s VAL 41 Cb 0.00 -3.61 -0.09 0.00 0.00 0.00 0.00 36.38 32.68 1irz s VAL 41 CO 0.00 0.17 0.79 1.51 0.00 0.00 0.00 175.10 177.57 1irz s ASP 42 N -2.19 6.91 0.00 3.32 -4.77 -1.26 -3.51 116.67 115.16 1irz s ASP 42 Ca 0.35 1.42 0.00 0.00 -3.30 0.00 0.00 52.55 51.02 1irz s ASP 42 Cb -0.13 -2.43 0.00 0.00 -1.09 0.00 0.00 42.92 39.28 1irz s ASP 42 CO 0.22 -0.17 0.00 1.17 0.70 0.00 0.00 175.17 177.09 1irz n LYS 43 N -0.10 0.00 -3.47 2.11 3.00 -1.26 -4.85 118.16 113.59 1irz n LYS 43 Ca 0.03 0.00 -0.43 0.00 -0.00 0.00 0.00 58.31 57.91 1irz n LYS 43 Cb 0.53 -2.73 -0.10 0.00 0.00 0.00 0.00 35.03 32.72 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 5.07 0.53 3.14 1.43 -1.23 -4.82 118.68 122.81 1irz s LEU 44 Ca 0.00 -0.88 0.04 0.00 -1.03 0.00 0.00 54.13 52.26 1irz s LEU 44 Cb 0.00 -2.15 0.04 0.00 0.03 0.00 0.00 46.19 44.11 1irz s LEU 44 CO 0.00 -0.44 0.74 0.42 0.23 0.00 0.00 176.35 177.30 1irz s THR 45 N 1.68 2.64 -0.41 5.49 -4.23 -1.26 -4.90 115.64 114.65 1irz s THR 45 Ca 0.05 -0.81 0.26 0.00 -1.18 0.00 0.00 61.69 60.01 1irz s THR 45 Cb -0.19 -2.83 0.32 0.00 1.34 0.00 0.00 72.50 71.15 1irz s THR 45 CO 0.10 0.00 1.75 0.08 -0.54 0.00 0.00 174.62 176.01 1irz h ARG 46 N 0.19 0.00 -0.00 3.99 0.11 -1.95 -3.11 114.38 113.61 1irz h ARG 46 Ca -0.39 0.00 -0.21 0.00 0.10 0.00 0.00 59.98 59.48 1irz h ARG 46 Cb 1.29 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.36 1irz h ARG 46 CO 0.47 0.00 -0.90 0.93 0.10 0.00 0.00 179.97 180.57 1irz h GLU 47 N 0.00 0.32 -0.58 0.08 5.08 -1.94 -0.19 114.58 117.35 1irz h GLU 47 Ca 0.00 -0.34 -0.08 0.00 -1.00 0.00 0.00 59.36 57.94 1irz h GLU 47 Cb 0.74 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.07 1irz h GLU 47 CO 0.00 1.03 0.04 -0.91 -1.00 0.00 0.00 179.01 178.18 1irz h ASN 48 N 0.18 0.95 1.21 1.42 2.35 -1.94 -1.35 115.58 118.40 1irz h ASN 48 Ca -0.06 -0.24 -0.13 0.00 -0.55 0.00 0.00 56.30 55.32 1irz h ASN 48 Cb 1.53 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 39.62 1irz h ASN 48 CO 0.15 0.98 -0.83 0.58 -1.65 0.00 0.00 177.43 176.66 1irz h VAL 49 N 0.91 0.82 0.00 2.81 2.07 -1.61 -3.24 116.25 118.02 1irz h VAL 49 Ca 0.17 -2.25 -0.10 0.00 0.82 0.00 0.00 66.70 65.35 1irz h VAL 49 Cb 0.47 2.34 -0.01 0.00 -1.52 0.00 0.00 31.29 32.57 1irz h VAL 49 CO 0.02 0.47 -0.45 0.00 0.02 0.00 0.00 177.57 177.62 1irz h ALA 50 N 1.43 1.05 0.02 1.67 0.00 -0.67 -2.75 119.26 120.02 1irz h ALA 50 Ca -0.05 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 1irz h ALA 50 Cb 1.48 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1irz h ALA 50 CO 0.06 0.57 -0.01 0.77 0.00 0.00 0.00 179.25 180.64 1irz h SER 51 N 0.00 -0.03 -0.34 0.00 0.02 -1.28 -0.65 113.55 111.27 1irz h SER 51 Ca -0.00 -0.50 0.05 0.00 -0.84 0.00 0.00 61.79 60.49 1irz h SER 51 Cb 0.92 0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.45 1irz h SER 51 CO 0.06 0.49 0.23 -0.74 -1.14 0.00 0.00 176.83 175.73 1irz h HIS 52 N -0.56 0.25 0.00 3.45 6.17 -1.61 0.11 115.15 122.96 1irz h HIS 52 Ca -0.00 0.01 -0.08 0.00 0.71 0.00 0.00 60.37 61.00 1irz h HIS 52 Cb 0.53 -0.08 -0.01 0.00 2.52 0.00 0.00 27.41 30.36 1irz h HIS 52 CO 0.10 0.14 -0.40 1.25 0.71 0.00 0.00 177.93 179.73 1irz h LEU 53 N 0.25 0.00 -0.34 0.26 5.85 -1.35 -3.22 115.31 116.76 1irz h LEU 53 Ca 0.15 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.69 1irz h LEU 53 Cb 0.26 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.29 1irz h LEU 53 CO -0.03 0.40 -0.47 1.56 -0.34 0.00 0.00 178.44 179.56 1irz h GLN 54 N 0.00 0.91 -0.61 1.25 1.08 0.82 -2.82 115.11 115.75 1irz h GLN 54 Ca -0.00 -0.53 0.09 0.00 -1.45 0.00 0.00 58.65 56.76 1irz h GLN 54 Cb 1.22 0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 28.66 1irz h GLN 54 CO 0.05 1.18 0.41 0.87 -0.95 0.00 0.00 178.83 180.39 1irz h LYS 55 N 0.72 0.43 -0.18 1.46 1.79 -1.45 -0.95 116.57 118.40 1irz h LYS 55 Ca 0.04 -0.03 -0.07 0.00 -2.18 0.00 0.00 60.65 58.42 1irz h LYS 55 Cb 1.08 -0.10 -0.00 0.00 -1.58 0.00 0.00 32.23 31.63 1irz h LYS 55 CO 0.11 0.28 -0.14 0.35 -1.08 0.00 0.00 179.45 178.98 1irz h PHE 56 N 0.44 0.50 -0.94 -1.35 3.57 -1.59 -1.91 116.94 115.65 1irz h PHE 56 Ca 0.28 -0.14 0.16 0.00 3.53 0.00 0.00 57.97 61.80 1irz h PHE 56 Cb 0.51 -0.11 -0.08 0.00 2.79 0.00 0.00 35.95 39.06 1irz h PHE 56 CO -0.00 0.76 0.60 -0.09 -2.23 0.00 0.00 178.31 177.35 1irz h ARG 57 N 0.09 0.71 -0.46 1.11 2.43 -0.98 0.69 114.38 117.96 1irz h ARG 57 Ca 0.03 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.08 1irz h ARG 57 Cb 0.66 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.03 1irz h ARG 57 CO 0.04 0.47 -0.05 0.28 -1.51 0.00 0.00 179.97 179.19 1irz h VAL 58 N 0.73 1.25 0.00 0.20 2.07 -1.01 0.19 116.25 119.68 1irz h VAL 58 Ca 0.49 -1.08 0.00 0.00 0.82 0.00 0.00 66.70 66.93 1irz h VAL 58 Cb 0.78 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 1irz h VAL 58 CO -0.25 0.38 0.00 0.00 0.02 0.00 0.00 177.57 177.71 1irz n ALA 59 N -2.48 2.04 0.90 1.67 0.00 0.20 -2.52 120.51 120.32 1irz n ALA 59 Ca 0.02 -0.03 0.10 0.00 0.00 0.00 0.00 53.44 53.53 1irz n ALA 59 Cb 0.33 -1.40 0.01 0.00 0.00 0.00 0.00 19.45 18.39 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 2.02 -0.13 0.00 4.77 0.13 -4.54 117.00 117.41 1irz n LEU 60 Ca 0.05 -0.79 -0.11 0.00 -0.03 0.00 0.00 56.01 55.13 1irz n LEU 60 Cb 0.30 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.34 1irz n LEU 60 CO 0.23 0.37 0.56 0.50 -1.33 0.00 0.00 177.39 177.73 1irz h LYS 61 N 2.50 -0.32 -5.35 3.23 3.64 -0.73 -3.26 116.57 116.27 1irz h LYS 61 Ca 0.00 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 1irz h LYS 61 Cb 0.72 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.60 1irz h LYS 61 CO 0.00 -0.21 0.09 0.15 -2.27 0.00 0.00 179.45 177.20 1irz s LYS 62 N -5.81 1.62 -0.18 1.90 1.02 -1.26 -4.82 119.74 112.20 1irz s LYS 62 Ca -0.15 0.29 -0.04 0.00 0.02 0.00 0.00 55.97 56.09 1irz s LYS 62 Cb 0.11 -4.84 0.09 0.00 -0.52 0.00 0.00 37.83 32.68 1irz s LYS 62 CO 0.65 -4.52 0.28 0.54 -0.92 0.00 0.00 175.35 171.38 1irz s VAL 63 N 14.73 -0.44 0.00 3.17 0.11 -1.23 -5.15 120.40 131.59 1irz s VAL 63 Ca 0.89 0.07 0.00 0.00 -2.93 0.00 0.00 61.98 60.01 1irz s VAL 63 Cb -0.11 -0.61 0.00 0.00 -1.53 0.00 0.00 36.38 34.12 1irz s VAL 63 CO 0.09 -0.05 0.00 -1.54 -3.33 0.00 0.00 175.10 170.27