#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 -2.31 -2.80 2.41 0.00 -1.26 -4.72 120.51 111.83 1irz n ALA 2 Ca 0.00 0.26 -0.35 0.00 0.00 0.00 0.00 53.44 53.36 1irz n ALA 2 Cb 0.00 -0.79 -0.09 0.00 0.00 0.00 0.00 19.45 18.57 1irz n ALA 2 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1irz s GLN 3 N -1.35 3.58 1.03 0.00 0.74 -1.26 -5.09 119.66 117.31 1irz s GLN 3 Ca 0.00 -0.35 -0.14 0.00 0.05 0.00 0.00 55.36 54.92 1irz s GLN 3 Cb 0.00 -3.06 0.23 0.00 1.10 0.00 0.00 33.01 31.28 1irz s GLN 3 CO 0.00 0.47 0.51 1.63 -0.55 0.00 0.00 175.29 177.35 1irz n LYS 4 N 2.90 -2.27 -3.66 1.67 4.76 -1.26 -4.92 118.16 115.39 1irz n LYS 4 Ca -0.18 -0.85 -0.39 0.00 -2.87 0.00 0.00 58.31 54.02 1irz n LYS 4 Cb 0.53 -1.45 -0.10 0.00 -1.84 0.00 0.00 35.03 32.18 1irz n LYS 4 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1irz s LYS 5 N -3.79 2.28 0.52 1.97 2.20 -1.26 -5.08 119.74 116.59 1irz s LYS 5 Ca 0.39 -1.76 -0.18 0.00 -0.36 0.00 0.00 55.97 54.07 1irz s LYS 5 Cb -0.07 -3.76 -0.07 0.00 -1.51 0.00 0.00 37.83 32.42 1irz s LYS 5 CO 0.33 -1.12 1.01 -1.25 -0.36 0.00 0.00 175.35 173.96 1irz s PRO 6 N 1.27 3.80 -0.88 4.03 0.04 -1.26 -4.85 135.00 137.15 1irz s PRO 6 Ca 0.06 1.13 -0.31 0.00 0.04 0.00 0.00 61.00 61.92 1irz s PRO 6 Cb -0.24 -2.11 -0.19 0.00 0.04 0.00 0.00 34.50 31.99 1irz s PRO 6 CO -0.02 -0.40 2.62 0.54 0.04 0.00 0.00 177.00 179.77 1irz n ARG 7 N -1.42 0.17 -2.83 4.56 5.12 -1.26 -4.80 116.66 116.21 1irz n ARG 7 Ca 0.08 0.01 -0.43 0.00 -1.93 0.00 0.00 57.85 55.57 1irz n ARG 7 Cb 0.53 -1.80 -0.03 0.00 -1.16 0.00 0.00 32.46 30.01 1irz n ARG 7 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1irz s VAL 8 N 9.24 4.51 -0.26 1.55 1.01 -1.26 -4.72 120.40 130.48 1irz s VAL 8 Ca 1.29 -1.37 -0.01 0.00 0.00 0.00 0.00 61.98 61.90 1irz s VAL 8 Cb -1.11 -4.86 -0.16 0.00 0.00 0.00 0.00 36.38 30.25 1irz s VAL 8 CO 0.47 -1.62 -0.25 -0.11 0.00 0.00 0.00 175.10 173.59 1irz n LEU 9 N 7.17 2.80 -2.71 3.92 7.94 -1.26 -4.88 117.00 129.98 1irz n LEU 9 Ca 0.27 -0.06 -0.06 0.00 -1.11 0.00 0.00 56.01 55.05 1irz n LEU 9 Cb 0.50 -0.90 0.06 0.00 0.53 0.00 0.00 43.42 43.61 1irz n LEU 9 CO 0.55 0.88 0.39 0.79 -1.11 0.00 0.00 177.39 178.88 1irz n TRP 10 N -3.43 -2.02 -3.36 1.96 5.03 -1.26 -5.02 117.44 109.34 1irz n TRP 10 Ca -0.47 -1.25 -0.21 0.00 3.03 0.00 0.00 57.50 58.59 1irz n TRP 10 Cb 0.97 1.34 0.02 0.00 -1.03 0.00 0.00 31.31 32.61 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 0.42 2.22 0.57 -0.99 -4.23 -1.26 -4.87 115.64 107.50 1irz s THR 11 Ca 0.29 -1.20 0.31 0.00 -1.18 0.00 0.00 61.69 59.92 1irz s THR 11 Cb 0.22 -2.42 0.45 0.00 1.34 0.00 0.00 72.50 72.08 1irz s THR 11 CO -0.17 0.00 1.82 0.45 -0.54 0.00 0.00 174.62 176.18 1irz h HIS 12 N 0.56 0.00 0.21 3.99 3.86 -2.02 0.19 115.15 121.94 1irz h HIS 12 Ca -0.35 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 58.85 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 0.59 0.00 -0.10 1.49 0.86 0.00 0.00 177.93 180.77 1irz h GLU 13 N 0.00 -0.28 0.00 2.45 4.81 -2.01 -3.07 114.58 116.48 1irz h GLU 13 Ca 0.37 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.62 1irz h GLU 13 Cb 1.71 0.06 0.00 0.00 0.63 0.00 0.00 28.75 31.16 1irz h GLU 13 CO -0.00 0.05 0.00 -0.07 -0.73 0.00 0.00 179.01 178.26 1irz h LEU 14 N -0.97 0.00 -0.32 1.64 3.38 -1.56 -0.94 115.31 116.54 1irz h LEU 14 Ca -0.03 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.83 1irz h LEU 14 Cb 0.45 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1irz h LEU 14 CO 0.05 0.00 -0.52 -0.74 0.09 0.00 0.00 178.44 177.31 1irz h HIS 15 N 0.00 0.00 -0.05 1.13 2.76 -0.98 -0.80 115.15 117.21 1irz h HIS 15 Ca 0.00 0.00 -0.16 0.00 -2.20 0.00 0.00 60.37 58.01 1irz h HIS 15 Cb 0.04 0.00 0.01 0.00 1.55 0.00 0.00 27.41 29.01 1irz h HIS 15 CO 0.00 0.52 -0.58 -0.91 -1.30 0.00 0.00 177.93 175.67 1irz h ASN 16 N 0.00 0.59 0.63 3.26 4.21 -1.07 0.13 115.58 123.33 1irz h ASN 16 Ca -0.01 -0.70 -0.24 0.00 1.21 0.00 0.00 56.30 56.56 1irz h ASN 16 Cb 1.27 -0.18 -0.00 0.00 -1.12 0.00 0.00 38.32 38.29 1irz h ASN 16 CO 0.07 1.21 -1.07 0.11 -1.29 0.00 0.00 177.43 176.46 1irz h LYS 17 N 0.03 0.23 0.00 0.81 1.57 -1.61 -2.82 116.57 114.79 1irz h LYS 17 Ca -0.06 -0.33 -0.06 0.00 -1.87 0.00 0.00 60.65 58.33 1irz h LYS 17 Cb 1.25 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.67 1irz h LYS 17 CO 0.12 1.10 -0.26 0.35 -0.57 0.00 0.00 179.45 180.19 1irz h PHE 18 N 0.09 0.00 0.14 -1.35 3.57 -1.19 -2.18 116.94 116.02 1irz h PHE 18 Ca -0.09 0.00 -0.29 0.00 3.53 0.00 0.00 57.97 61.12 1irz h PHE 18 Cb 1.77 0.00 0.02 0.00 2.79 0.00 0.00 35.95 40.53 1irz h PHE 18 CO 0.05 0.26 -1.27 -0.07 -2.23 0.00 0.00 178.31 175.05 1irz h LEU 19 N 0.00 0.68 -0.30 0.59 3.38 -0.69 -1.93 115.31 117.04 1irz h LEU 19 Ca -0.00 -0.67 -0.11 0.00 0.09 0.00 0.00 57.88 57.19 1irz h LEU 19 Cb 1.03 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 1irz h LEU 19 CO 0.03 1.50 -0.51 0.00 0.09 0.00 0.00 178.44 179.56 1irz h ALA 20 N 0.41 0.74 0.02 1.53 0.00 -1.49 -1.58 119.26 118.88 1irz h ALA 20 Ca -0.17 -0.46 -0.18 0.00 0.00 0.00 0.00 54.91 54.09 1irz h ALA 20 Cb 1.95 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 19.68 1irz h ALA 20 CO 0.23 0.64 -0.72 0.00 0.00 0.00 0.00 179.25 179.39 1irz h ALA 21 N 1.49 0.06 -0.23 0.00 0.00 -1.41 -1.24 119.26 117.92 1irz h ALA 21 Ca -0.01 -0.61 -0.05 0.00 0.00 0.00 0.00 54.91 54.24 1irz h ALA 21 Cb 1.27 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1irz h ALA 21 CO 0.07 0.42 -0.05 0.28 0.00 0.00 0.00 179.25 179.97 1irz h VAL 22 N -0.04 1.28 -0.70 0.00 2.07 -1.37 -2.87 116.25 114.63 1irz h VAL 22 Ca -0.10 -1.03 0.01 0.00 0.82 0.00 0.00 66.70 66.40 1irz h VAL 22 Cb 1.44 1.48 -0.03 0.00 -1.52 0.00 0.00 31.29 32.66 1irz h VAL 22 CO 0.14 0.32 0.46 -0.78 0.02 0.00 0.00 177.57 177.73 1irz h ASP 23 N 0.18 0.80 -0.05 0.57 3.58 -1.35 0.60 116.42 120.74 1irz h ASP 23 Ca 0.06 -0.02 0.02 0.00 0.42 0.00 0.00 57.03 57.51 1irz h ASP 23 Cb 0.50 -0.20 -0.00 0.00 1.72 0.00 0.00 39.33 41.35 1irz h ASP 23 CO 0.02 0.58 0.10 -0.74 -2.88 0.00 0.00 179.24 176.32 1irz h HIS 24 N 0.94 0.00 -0.01 0.28 2.76 -1.06 -1.12 115.15 116.95 1irz h HIS 24 Ca 0.26 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.43 1irz h HIS 24 Cb -0.11 0.00 0.00 0.00 1.55 0.00 0.00 27.41 28.85 1irz h HIS 24 CO -0.03 0.00 -0.19 1.28 -1.30 0.00 0.00 177.93 177.69 1irz n LEU 25 N -3.49 1.22 -0.58 0.26 4.77 -0.23 -5.07 117.00 113.88 1irz n LEU 25 Ca -0.02 -0.78 0.00 0.00 -0.03 0.00 0.00 56.01 55.19 1irz n LEU 25 Cb 0.18 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 1irz n LEU 25 CO 0.24 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 1irz n GLY 26 N 0.87 -1.30 0.29 -0.72 0.00 0.19 -3.92 105.19 100.59 1irz n GLY 26 Ca 0.04 -0.76 0.14 0.00 0.00 0.00 0.00 46.02 45.44 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 0.19 1.61 3.04 -1.80 0.79 116.25 120.08 1irz h VAL 27 Ca 0.00 0.00 -0.31 0.00 -1.01 0.00 0.00 66.70 65.38 1irz h VAL 27 Cb 0.00 0.61 0.02 0.00 -2.01 0.00 0.00 31.29 29.91 1irz h VAL 27 CO 0.00 0.00 -1.37 1.05 -1.01 0.00 0.00 177.57 176.24 1irz h GLU 28 N 0.00 0.40 -0.11 4.17 4.11 -1.90 -3.35 114.58 117.91 1irz h GLU 28 Ca 0.00 -0.69 0.00 0.00 0.07 0.00 0.00 59.36 58.74 1irz h GLU 28 Cb 0.55 0.26 0.00 0.00 0.50 0.00 0.00 28.75 30.06 1irz h GLU 28 CO 0.00 1.33 0.00 0.54 0.07 0.00 0.00 179.01 180.95 1irz n ARG 29 N -3.62 2.47 -2.70 1.06 1.74 0.02 -5.02 116.66 110.61 1irz n ARG 29 Ca -0.13 -2.14 -0.41 0.00 -0.77 0.00 0.00 57.85 54.41 1irz n ARG 29 Cb 1.07 -1.33 -0.04 0.00 -1.02 0.00 0.00 32.46 31.13 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 -1.84 3.27 0.29 7.54 0.00 0.25 -4.89 121.76 126.38 1irz s ALA 30 Ca 0.21 0.62 0.12 0.00 0.00 0.00 0.00 51.96 52.90 1irz s ALA 30 Cb 0.16 -3.28 -0.05 0.00 0.00 0.00 0.00 23.12 19.94 1irz s ALA 30 CO 0.05 -0.03 -0.18 0.14 0.00 0.00 0.00 175.76 175.74 1irz s VAL 31 N -0.14 2.49 -0.03 0.00 -7.23 -1.26 -4.97 120.40 109.26 1irz s VAL 31 Ca 0.47 -2.37 0.20 0.00 -1.81 0.00 0.00 61.98 58.47 1irz s VAL 31 Cb -0.24 -2.36 0.17 0.00 0.56 0.00 0.00 36.38 34.51 1irz s VAL 31 CO 0.31 -0.38 1.65 1.55 -0.31 0.00 0.00 175.10 177.92 1irz h PRO 32 N 2.23 0.00 0.13 4.82 0.13 -1.93 -2.11 132.00 135.28 1irz h PRO 32 Ca -0.40 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.72 1irz h PRO 32 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1irz h PRO 32 CO 0.61 0.33 -0.06 -0.22 -0.23 0.00 0.00 178.00 178.43 1irz h LYS 33 N 0.00 -0.17 -0.38 0.86 3.11 -1.95 0.15 116.57 118.18 1irz h LYS 33 Ca -0.00 0.01 -0.14 0.00 -2.81 0.00 0.00 60.65 57.70 1irz h LYS 33 Cb 1.04 0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 32.30 1irz h LYS 33 CO 0.04 0.23 -0.34 0.87 -2.81 0.00 0.00 179.45 177.44 1irz h LYS 34 N -0.64 0.86 0.00 1.90 1.57 -1.99 -2.41 116.57 115.87 1irz h LYS 34 Ca -0.02 -0.42 -0.04 0.00 -1.87 0.00 0.00 60.65 58.30 1irz h LYS 34 Cb 0.48 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 1irz h LYS 34 CO 0.03 1.07 -0.19 0.82 -0.57 0.00 0.00 179.45 180.61 1irz h ILE 35 N 0.72 0.61 -0.94 1.86 2.04 -1.39 -2.04 117.51 118.37 1irz h ILE 35 Ca 0.07 -0.84 0.16 0.00 1.00 0.00 0.00 64.86 65.25 1irz h ILE 35 Cb 0.90 1.55 -0.08 0.00 -0.74 0.00 0.00 36.82 38.45 1irz h ILE 35 CO 0.08 0.18 0.60 0.25 0.00 0.00 0.00 178.15 179.26 1irz h LEU 36 N 0.00 0.70 -0.39 1.44 5.85 -0.17 0.51 115.31 123.25 1irz h LEU 36 Ca -0.00 0.05 -0.19 0.00 0.84 0.00 0.00 57.88 58.58 1irz h LEU 36 Cb 0.53 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 1irz h LEU 36 CO 0.02 0.33 -0.76 0.44 -0.34 0.00 0.00 178.44 178.13 1irz h ASP 37 N 0.72 0.42 -0.23 1.25 3.32 -1.44 -2.02 116.42 118.44 1irz h ASP 37 Ca 0.49 -0.29 0.02 0.00 0.02 0.00 0.00 57.03 57.27 1irz h ASP 37 Cb 0.77 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.19 1irz h ASP 37 CO -0.25 1.04 0.15 -0.07 -1.72 0.00 0.00 179.24 178.40 1irz h LEU 38 N 0.23 0.18 0.00 1.55 3.38 0.06 -2.96 115.31 117.76 1irz h LEU 38 Ca -0.04 -0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.81 1irz h LEU 38 Cb 1.34 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 42.03 1irz h LEU 38 CO 0.13 0.13 -0.64 0.24 0.09 0.00 0.00 178.44 178.39 1irz h MET 39 N 0.22 0.00 -2.52 1.13 2.86 -0.94 -3.47 114.93 112.20 1irz h MET 39 Ca 0.09 0.00 -0.31 0.00 -2.06 0.00 0.00 59.70 57.43 1irz h MET 39 Cb 0.11 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.71 1irz h MET 39 CO -0.02 0.97 -0.34 -1.71 1.06 0.00 0.00 176.91 176.88 1irz n ASN 40 N -4.52 -4.32 -4.85 1.22 5.15 -0.78 -4.92 115.26 102.23 1irz n ASN 40 Ca -0.21 0.24 -0.31 0.00 -0.60 0.00 0.00 54.58 53.70 1irz n ASN 40 Cb 0.57 -3.78 0.01 0.00 -0.53 0.00 0.00 39.78 36.06 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 -2.55 4.51 0.15 3.44 1.01 -1.26 -5.04 120.40 120.67 1irz s VAL 41 Ca 0.00 0.88 -0.15 0.00 0.00 0.00 0.00 61.98 62.71 1irz s VAL 41 Cb 0.00 -3.74 -0.07 0.00 0.00 0.00 0.00 36.38 32.57 1irz s VAL 41 CO 0.00 -1.00 0.57 1.51 0.00 0.00 0.00 175.10 176.18 1irz s ASP 42 N -3.89 6.86 0.00 3.32 1.47 -1.26 -3.72 116.67 119.45 1irz s ASP 42 Ca 0.57 1.13 0.00 0.00 1.18 0.00 0.00 52.55 55.42 1irz s ASP 42 Cb -0.12 -2.31 0.00 0.00 -0.34 0.00 0.00 42.92 40.16 1irz s ASP 42 CO 0.50 0.10 0.00 1.17 0.68 0.00 0.00 175.17 177.62 1irz n LYS 43 N 0.83 0.00 -3.58 2.11 4.81 -1.26 -4.97 118.16 116.10 1irz n LYS 43 Ca -0.05 0.00 -0.40 0.00 -0.87 0.00 0.00 58.31 56.99 1irz n LYS 43 Cb 0.52 -2.82 -0.11 0.00 0.02 0.00 0.00 35.03 32.64 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 4.34 0.40 3.14 1.43 -1.24 -5.08 118.68 121.67 1irz s LEU 44 Ca 0.00 -0.46 0.07 0.00 -1.03 0.00 0.00 54.13 52.71 1irz s LEU 44 Cb 0.00 -2.08 0.00 0.00 0.03 0.00 0.00 46.19 44.14 1irz s LEU 44 CO 0.00 -0.21 0.56 0.42 0.23 0.00 0.00 176.35 177.34 1irz s THR 45 N 1.68 3.37 -0.30 5.49 -4.23 -1.26 -4.84 115.64 115.54 1irz s THR 45 Ca 0.05 -0.96 0.27 0.00 -1.18 0.00 0.00 61.69 59.88 1irz s THR 45 Cb -0.17 -3.15 0.33 0.00 1.34 0.00 0.00 72.50 70.85 1irz s THR 45 CO 0.09 -0.06 1.79 0.08 -0.54 0.00 0.00 174.62 175.97 1irz h ARG 46 N 0.67 0.00 -0.01 3.99 -0.00 -1.96 -3.03 114.38 114.04 1irz h ARG 46 Ca -0.42 0.00 -0.19 0.00 -0.00 0.00 0.00 59.98 59.37 1irz h ARG 46 Cb 1.27 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 31.23 1irz h ARG 46 CO 0.48 0.00 -0.83 0.93 -0.00 0.00 0.00 179.97 180.56 1irz h GLU 47 N 0.00 0.22 -0.64 0.08 5.08 -1.94 -0.01 114.58 117.36 1irz h GLU 47 Ca 0.00 -0.22 -0.06 0.00 -1.00 0.00 0.00 59.36 58.08 1irz h GLU 47 Cb 0.67 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.95 1irz h GLU 47 CO 0.00 0.93 0.15 -0.91 -1.00 0.00 0.00 179.01 178.18 1irz h ASN 48 N 0.13 0.98 1.25 1.42 -0.26 -1.93 0.72 115.58 117.88 1irz h ASN 48 Ca -0.04 -0.24 -0.12 0.00 -0.56 0.00 0.00 56.30 55.35 1irz h ASN 48 Cb 1.43 -0.26 -0.02 0.00 -1.06 0.00 0.00 38.32 38.42 1irz h ASN 48 CO 0.13 0.96 -0.78 0.58 -1.06 0.00 0.00 177.43 177.26 1irz h VAL 49 N 0.95 0.73 0.00 2.81 2.07 -1.62 -3.22 116.25 117.97 1irz h VAL 49 Ca 0.20 -2.12 -0.02 0.00 0.82 0.00 0.00 66.70 65.59 1irz h VAL 49 Cb 0.37 2.28 -0.00 0.00 -1.52 0.00 0.00 31.29 32.42 1irz h VAL 49 CO 0.00 0.42 -0.08 0.00 0.02 0.00 0.00 177.57 177.94 1irz h ALA 50 N 1.49 0.96 0.03 1.67 0.00 -0.66 -2.90 119.26 119.85 1irz h ALA 50 Ca -0.05 -0.07 -0.18 0.00 0.00 0.00 0.00 54.91 54.62 1irz h ALA 50 Cb 1.43 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 19.22 1irz h ALA 50 CO 0.06 0.09 -0.70 0.77 0.00 0.00 0.00 179.25 179.47 1irz h SER 51 N 0.00 0.57 0.29 0.00 0.02 -0.87 -1.69 113.55 111.86 1irz h SER 51 Ca -0.00 -0.79 -0.08 0.00 -0.84 0.00 0.00 61.79 60.08 1irz h SER 51 Cb 0.94 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.30 1irz h SER 51 CO 0.01 1.29 -0.33 -0.74 -1.14 0.00 0.00 176.83 175.92 1irz h HIS 52 N -0.09 0.09 -0.03 3.45 6.17 -1.59 -1.17 115.15 121.97 1irz h HIS 52 Ca -0.10 -0.02 -0.22 0.00 0.71 0.00 0.00 60.37 60.75 1irz h HIS 52 Cb 1.43 -0.02 0.02 0.00 2.52 0.00 0.00 27.41 31.35 1irz h HIS 52 CO 0.15 0.41 -0.82 1.25 0.71 0.00 0.00 177.93 179.62 1irz h LEU 53 N 0.07 0.78 -1.16 0.26 5.85 -1.52 -3.06 115.31 116.54 1irz h LEU 53 Ca 0.01 -0.72 -0.09 0.00 0.84 0.00 0.00 57.88 57.93 1irz h LEU 53 Cb 0.63 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 1irz h LEU 53 CO 0.05 1.39 -0.36 1.56 -0.34 0.00 0.00 178.44 180.74 1irz h GLN 54 N 0.25 0.10 0.00 1.25 4.20 -1.08 -2.31 115.11 117.51 1irz h GLN 54 Ca -0.09 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.52 1irz h GLN 54 Cb 1.49 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.26 1irz h GLN 54 CO 0.16 0.45 -0.29 0.87 -0.67 0.00 0.00 178.83 179.36 1irz h LYS 55 N 0.09 0.00 -0.16 1.46 1.79 -1.19 -2.52 116.57 116.03 1irz h LYS 55 Ca 0.01 0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 58.29 1irz h LYS 55 Cb 0.69 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.34 1irz h LYS 55 CO 0.05 0.29 -0.68 0.35 -1.08 0.00 0.00 179.45 178.38 1irz h PHE 56 N 0.00 0.85 -0.49 -1.35 3.57 -1.31 -0.81 116.94 117.40 1irz h PHE 56 Ca -0.00 -0.35 -0.04 0.00 3.53 0.00 0.00 57.97 61.11 1irz h PHE 56 Cb 0.61 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.19 1irz h PHE 56 CO 0.00 1.14 0.16 0.00 -2.23 0.00 0.00 178.31 177.38 1irz h ARG 57 N 0.47 0.76 -0.30 1.11 3.08 -1.37 0.86 114.38 118.99 1irz h ARG 57 Ca -0.02 -0.16 -0.05 0.00 0.07 0.00 0.00 59.98 59.81 1irz h ARG 57 Cb 1.27 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 31.19 1irz h ARG 57 CO 0.13 0.71 -0.05 0.28 -1.07 0.00 0.00 179.97 179.97 1irz h VAL 58 N 0.66 1.20 0.00 2.04 2.07 -1.38 -0.13 116.25 120.72 1irz h VAL 58 Ca 0.16 -0.84 0.00 0.00 0.82 0.00 0.00 66.70 66.84 1irz h VAL 58 Cb 0.27 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 1irz h VAL 58 CO -0.01 0.28 -0.08 0.00 0.02 0.00 0.00 177.57 177.79 1irz n ALA 59 N -2.48 2.43 0.10 1.67 0.00 -0.32 -3.22 120.51 118.70 1irz n ALA 59 Ca 0.01 -0.09 -0.02 0.00 0.00 0.00 0.00 53.44 53.34 1irz n ALA 59 Cb 0.27 -1.43 -0.04 0.00 0.00 0.00 0.00 19.45 18.25 1irz n ALA 59 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1irz h LEU 60 N 0.00 0.00 0.00 0.00 3.38 0.26 -3.08 115.31 115.87 1irz h LEU 60 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1irz h LEU 60 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1irz h LEU 60 CO 0.00 0.73 0.00 2.29 0.09 0.00 0.00 178.44 181.55 1irz n LYS 61 N -3.28 0.90 -0.11 1.13 2.85 -1.02 -2.83 118.16 115.80 1irz n LYS 61 Ca 0.01 0.00 0.05 0.00 -1.05 0.00 0.00 58.31 57.32 1irz n LYS 61 Cb 0.83 -1.50 0.11 0.00 -0.65 0.00 0.00 35.03 33.82 1irz n LYS 61 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1irz n LYS 62 N -1.04 2.10 -3.65 -1.58 4.81 -1.16 -4.94 118.16 112.69 1irz n LYS 62 Ca 0.22 -1.73 -0.04 0.00 -0.87 0.00 0.00 58.31 55.89 1irz n LYS 62 Cb 0.12 -1.24 -0.06 0.00 0.02 0.00 0.00 35.03 33.88 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 -0.96 -0.61 0.00 3.15 0.11 -1.13 -5.12 120.40 115.83 1irz s VAL 63 Ca 0.19 0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.26 1irz s VAL 63 Cb 0.11 -0.95 0.00 0.00 -1.53 0.00 0.00 36.38 34.01 1irz s VAL 63 CO 0.14 0.01 0.00 -0.24 -3.33 0.00 0.00 175.10 171.68