#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ibz n HIS 2 N 0.00 0.00 -2.59 -1.84 1.44 -1.26 -5.13 115.22 105.84 1ibz n HIS 2 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1ibz n HIS 2 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 1ibz n HIS 2 CO 0.00 0.00 0.00 0.09 -2.81 0.00 0.00 176.34 173.62 1ibz n ASN 3 N 0.00 1.24 -4.87 4.39 3.02 -1.26 -5.11 115.26 112.66 1ibz n ASN 3 Ca 0.00 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.19 1ibz n ASN 3 Cb 0.00 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.11 1ibz n ASN 3 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1ibz s PHE 4 N 1.41 3.62 -0.16 3.10 0.08 -0.87 -5.01 117.98 120.15 1ibz s PHE 4 Ca 0.00 0.66 0.00 0.00 0.12 0.00 0.00 56.93 57.72 1ibz s PHE 4 Cb 0.00 -2.05 0.03 0.00 -0.57 0.00 0.00 43.02 40.43 1ibz s PHE 4 CO 0.00 0.67 -0.11 -0.80 -0.10 0.00 0.00 175.22 174.88 1ibz s ASN 5 N -1.30 2.83 -0.09 1.36 0.01 -1.26 0.08 114.94 116.57 1ibz s ASN 5 Ca 0.22 -0.60 0.04 0.00 -0.71 0.00 0.00 52.86 51.81 1ibz s ASN 5 Cb -0.14 -1.10 0.00 0.00 0.41 0.00 0.00 41.25 40.43 1ibz s ASN 5 CO 0.11 -0.11 -0.21 -0.69 -1.51 0.00 0.00 177.10 174.69 1ibz s VAL 6 N 1.52 1.85 -0.15 1.60 1.01 -0.11 -4.32 120.40 121.79 1ibz s VAL 6 Ca 0.03 -0.89 -0.03 0.00 0.00 0.00 0.00 61.98 61.08 1ibz s VAL 6 Cb -0.14 -1.61 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 1ibz s VAL 6 CO -0.09 0.51 -0.03 -0.69 0.00 0.00 0.00 175.10 174.80 1ibz s VAL 7 N 0.44 3.94 -0.26 2.92 1.01 0.37 -0.98 120.40 127.83 1ibz s VAL 7 Ca -0.17 -0.35 -0.11 0.00 0.00 0.00 0.00 61.98 61.35 1ibz s VAL 7 Cb -0.17 -2.72 -0.05 0.00 0.00 0.00 0.00 36.38 33.44 1ibz s VAL 7 CO 0.07 0.50 0.19 -0.63 0.00 0.00 0.00 175.10 175.23 1ibz s ILE 8 N 0.23 5.33 0.03 2.22 1.01 -0.10 -0.34 121.20 129.58 1ibz s ILE 8 Ca -0.02 0.20 0.07 0.00 0.00 0.00 0.00 60.65 60.90 1ibz s ILE 8 Cb -0.14 -3.53 -0.02 0.00 0.01 0.00 0.00 42.46 38.78 1ibz s ILE 8 CO 0.03 0.29 -0.21 0.20 0.00 0.00 0.00 174.94 175.24 1ibz s ASN 9 N 1.45 2.55 -0.13 3.58 0.01 -0.32 -0.68 114.94 121.40 1ibz s ASN 9 Ca 0.08 -0.51 -0.06 0.00 -0.71 0.00 0.00 52.86 51.66 1ibz s ASN 9 Cb -0.15 -0.23 -0.04 0.00 0.41 0.00 0.00 41.25 41.25 1ibz s ASN 9 CO 0.08 0.19 0.09 0.00 -1.51 0.00 0.00 177.10 175.94 1ibz s ALA 10 N -0.75 3.62 -0.11 0.60 0.00 -1.26 -0.45 121.76 123.40 1ibz s ALA 10 Ca 0.08 -0.71 0.01 0.00 0.00 0.00 0.00 51.96 51.34 1ibz s ALA 10 Cb -0.09 -1.83 0.02 0.00 0.00 0.00 0.00 23.12 21.22 1ibz s ALA 10 CO 0.01 0.51 -0.11 0.71 0.00 0.00 0.00 175.76 176.88 1ibz s TYR 11 N -0.67 1.70 -0.58 0.00 1.51 0.20 -4.99 117.35 114.52 1ibz s TYR 11 Ca 0.12 -0.83 0.01 0.00 -1.01 0.00 0.00 57.07 55.36 1ibz s TYR 11 Cb -0.12 -1.31 0.15 0.00 -0.11 0.00 0.00 41.96 40.57 1ibz s TYR 11 CO 0.02 -0.50 0.36 0.34 -1.11 0.00 0.00 175.55 174.67 1ibz s ASP 12 N 1.36 4.74 -0.24 2.29 -1.08 -1.26 -1.09 116.67 121.39 1ibz s ASP 12 Ca -0.00 -3.03 -0.10 0.00 -0.52 0.00 0.00 52.55 48.90 1ibz s ASP 12 Cb -0.14 -1.73 -0.05 0.00 -1.46 0.00 0.00 42.92 39.55 1ibz s ASP 12 CO -0.06 -0.27 0.13 -0.89 0.52 0.00 0.00 175.17 174.60 1ibz s THR 13 N -0.31 5.10 -0.11 1.71 2.01 -0.10 -5.01 115.64 118.92 1ibz s THR 13 Ca 0.18 0.09 -0.02 0.00 0.31 0.00 0.00 61.69 62.24 1ibz s THR 13 Cb -0.22 -3.37 0.04 0.00 0.01 0.00 0.00 72.50 68.96 1ibz s THR 13 CO -0.02 0.35 0.03 -0.89 -0.69 0.00 0.00 174.62 173.40 1ibz s THR 14 N 1.09 0.31 -0.37 -0.82 2.01 -1.26 -0.84 115.64 115.75 1ibz s THR 14 Ca 0.06 -0.06 0.01 0.00 0.31 0.00 0.00 61.69 62.01 1ibz s THR 14 Cb -0.14 -0.63 0.14 0.00 0.01 0.00 0.00 72.50 71.88 1ibz s THR 14 CO 0.04 0.06 0.22 -0.63 -0.69 0.00 0.00 174.62 173.62 1ibz s ILE 15 N 1.98 0.42 0.20 1.82 1.01 0.40 -5.00 121.20 122.03 1ibz s ILE 15 Ca 0.03 -1.91 -0.11 0.00 0.00 0.00 0.00 60.65 58.66 1ibz s ILE 15 Cb -0.14 -1.31 0.12 0.00 0.01 0.00 0.00 42.46 41.14 1ibz s ILE 15 CO -0.06 -0.97 1.81 -0.65 0.00 0.00 0.00 174.94 175.06 1ibz h PRO 16 N 6.93 0.63 -2.01 2.79 0.11 -1.91 -1.30 132.00 137.23 1ibz h PRO 16 Ca 0.05 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.08 1ibz h PRO 16 Cb 0.96 -0.14 -0.21 0.00 0.11 0.00 0.00 31.00 31.72 1ibz h PRO 16 CO 0.31 0.42 0.11 -2.00 -0.21 0.00 0.00 178.00 176.63 1ibz s GLU 17 N -6.11 0.82 -0.22 1.05 2.12 -1.26 -0.01 118.70 115.09 1ibz s GLU 17 Ca -0.13 1.01 -0.18 0.00 0.36 0.00 0.00 54.97 56.03 1ibz s GLU 17 Cb 0.15 0.39 0.06 0.00 0.26 0.00 0.00 34.13 34.99 1ibz s GLU 17 CO 0.75 -0.10 0.58 -1.17 -0.54 0.00 0.00 175.26 174.78 1ibz s LEU 18 N 0.47 -0.35 -0.22 2.70 0.20 -0.74 -5.01 118.68 115.72 1ibz s LEU 18 Ca -0.01 1.20 0.01 0.00 0.69 0.00 0.00 54.13 56.02 1ibz s LEU 18 Cb -0.05 1.97 0.03 0.00 -0.43 0.00 0.00 46.19 47.71 1ibz s LEU 18 CO -0.01 -0.21 -0.13 0.21 -0.29 0.00 0.00 176.35 175.92 1ibz s ASN 19 N 0.75 3.82 -0.04 3.68 3.84 -1.26 -1.38 114.94 124.35 1ibz s ASN 19 Ca -0.04 -0.88 0.03 0.00 0.21 0.00 0.00 52.86 52.19 1ibz s ASN 19 Cb -0.05 -1.56 0.00 0.00 -0.55 0.00 0.00 41.25 39.09 1ibz s ASN 19 CO -0.06 -0.08 -0.13 -0.69 -2.79 0.00 0.00 177.10 173.35 1ibz s VAL 20 N 1.26 1.14 -1.66 -5.21 1.01 0.03 -4.78 120.40 112.18 1ibz s VAL 20 Ca 0.00 -0.55 -0.16 0.00 0.00 0.00 0.00 61.98 61.27 1ibz s VAL 20 Cb -0.16 -0.99 0.14 0.00 0.00 0.00 0.00 36.38 35.37 1ibz s VAL 20 CO -0.08 0.34 0.77 1.21 0.00 0.00 0.00 175.10 177.34 1ibz n GLU 21 N 3.26 -3.39 -0.43 2.72 2.13 -1.26 0.32 120.64 123.98 1ibz n GLU 21 Ca -0.19 0.39 0.00 0.00 0.66 0.00 0.00 57.16 58.03 1ibz n GLU 21 Cb 0.53 -5.08 0.00 0.00 0.27 0.00 0.00 31.44 27.16 1ibz n GLU 21 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ibz n GLY 22 N -1.48 2.01 3.62 8.31 0.00 -1.26 -5.01 105.19 111.38 1ibz n GLY 22 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 1ibz n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ibz s VAL 23 N -3.33 4.68 -0.19 1.61 1.01 0.15 -5.09 120.40 119.24 1ibz s VAL 23 Ca 0.00 -0.08 -0.09 0.00 0.00 0.00 0.00 61.98 61.82 1ibz s VAL 23 Cb 0.00 -3.10 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 1ibz s VAL 23 CO 0.00 0.47 0.09 -0.89 0.00 0.00 0.00 175.10 174.77 1ibz s THR 24 N 0.30 5.06 -0.03 3.92 2.01 -1.26 -0.79 115.64 124.85 1ibz s THR 24 Ca 0.03 0.06 0.06 0.00 0.31 0.00 0.00 61.69 62.15 1ibz s THR 24 Cb -0.12 -3.29 -0.01 0.00 0.01 0.00 0.00 72.50 69.08 1ibz s THR 24 CO 0.01 0.45 -0.22 0.68 -0.69 0.00 0.00 174.62 174.85 1ibz s VAL 25 N 0.36 1.75 0.12 3.82 -7.23 -0.48 -5.00 120.40 113.75 1ibz s VAL 25 Ca 0.05 -0.92 -0.02 0.00 -1.81 0.00 0.00 61.98 59.28 1ibz s VAL 25 Cb -0.12 -1.47 -0.04 0.00 0.56 0.00 0.00 36.38 35.32 1ibz s VAL 25 CO -0.01 0.49 0.06 -1.59 -0.31 0.00 0.00 175.10 173.75 1ibz s LYS 26 N -0.32 0.90 -1.48 4.82 -2.85 -1.26 -1.80 119.74 117.75 1ibz s LYS 26 Ca 0.03 -1.39 -0.10 0.00 -1.00 0.00 0.00 55.97 53.51 1ibz s LYS 26 Cb -0.10 0.25 0.06 0.00 -2.06 0.00 0.00 37.83 35.98 1ibz s LYS 26 CO 0.01 -0.25 0.84 0.09 0.10 0.00 0.00 175.35 176.14 1ibz n ASN 27 N -0.08 -3.34 -4.74 0.03 3.02 0.98 -4.94 115.26 106.19 1ibz n ASN 27 Ca -0.07 -0.83 -0.38 0.00 -0.03 0.00 0.00 54.58 53.27 1ibz n ASN 27 Cb 0.63 -3.74 -0.06 0.00 -0.61 0.00 0.00 39.78 36.00 1ibz n ASN 27 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1ibz s ILE 28 N -3.45 5.08 -0.26 2.41 1.01 -0.50 -4.97 121.20 120.51 1ibz s ILE 28 Ca 0.45 1.13 -0.02 0.00 0.00 0.00 0.00 60.65 62.21 1ibz s ILE 28 Cb -0.23 -3.89 0.15 0.00 0.01 0.00 0.00 42.46 38.51 1ibz s ILE 28 CO 0.84 0.35 0.44 -0.60 0.00 0.00 0.00 174.94 175.97 1ibz s ARG 29 N 0.36 0.41 -0.07 2.79 6.06 -1.26 -0.46 118.95 126.79 1ibz s ARG 29 Ca 0.30 0.60 -0.03 0.00 -2.50 0.00 0.00 55.73 54.10 1ibz s ARG 29 Cb -0.17 -0.20 0.04 0.00 0.06 0.00 0.00 34.95 34.69 1ibz s ARG 29 CO 0.14 -0.70 0.14 0.00 -2.50 0.00 0.00 175.30 172.38 1ibz s ALA 30 N 2.63 -0.19 -0.17 6.12 0.00 -0.02 -5.02 121.76 125.11 1ibz s ALA 30 Ca 0.14 0.60 0.01 0.00 0.00 0.00 0.00 51.96 52.71 1ibz s ALA 30 Cb -0.15 -0.56 0.01 0.00 0.00 0.00 0.00 23.12 22.42 1ibz s ALA 30 CO -0.19 -0.29 -0.18 0.12 0.00 0.00 0.00 175.76 175.22 1ibz s PHE 31 N 1.56 2.77 0.11 0.00 5.36 -1.26 -0.92 117.98 125.60 1ibz s PHE 31 Ca -0.05 -1.35 -0.09 0.00 -0.96 0.00 0.00 56.93 54.48 1ibz s PHE 31 Cb -0.12 -1.90 0.00 0.00 -0.34 0.00 0.00 43.02 40.66 1ibz s PHE 31 CO -0.06 -0.65 0.23 -0.80 -1.46 0.00 0.00 175.22 172.48 1ibz s ASN 32 N 1.07 0.07 -0.05 6.13 0.01 -0.25 -4.80 114.94 117.11 1ibz s ASN 32 Ca -0.01 -0.67 0.05 0.00 -0.71 0.00 0.00 52.86 51.52 1ibz s ASN 32 Cb -0.14 0.37 -0.00 0.00 0.41 0.00 0.00 41.25 41.89 1ibz s ASN 32 CO -0.06 -0.78 -0.19 -0.69 -1.51 0.00 0.00 177.10 173.87 1ibz s VAL 33 N -3.88 1.59 0.07 1.60 1.01 -0.50 0.60 120.40 120.89 1ibz s VAL 33 Ca 0.08 -0.80 0.06 0.00 0.00 0.00 0.00 61.98 61.32 1ibz s VAL 33 Cb 0.04 -1.36 -0.03 0.00 0.00 0.00 0.00 36.38 35.03 1ibz s VAL 33 CO -0.08 0.45 -0.16 -0.76 0.00 0.00 0.00 175.10 174.55 1ibz s LEU 34 N 0.06 2.27 -0.16 3.92 1.43 0.40 -2.30 118.68 124.29 1ibz s LEU 34 Ca -0.05 -0.61 -0.13 0.00 -1.03 0.00 0.00 54.13 52.30 1ibz s LEU 34 Cb -0.13 -0.61 -0.05 0.00 0.03 0.00 0.00 46.19 45.44 1ibz s LEU 34 CO 0.03 -0.03 0.27 0.20 0.23 0.00 0.00 176.35 177.04 1ibz s ASN 35 N -1.71 6.41 -0.22 2.29 -0.87 -1.26 -1.18 114.94 118.40 1ibz s ASN 35 Ca 0.00 0.47 -0.01 0.00 -1.57 0.00 0.00 52.86 51.76 1ibz s ASN 35 Cb -0.10 -2.17 0.06 0.00 -0.02 0.00 0.00 41.25 39.02 1ibz s ASN 35 CO 0.03 0.12 -0.02 -1.61 -2.57 0.00 0.00 177.10 173.04 1ibz s GLU 36 N 0.40 1.26 0.73 -0.60 2.02 0.53 -2.67 118.70 120.39 1ibz s GLU 36 Ca 0.15 -0.77 -0.11 0.00 0.02 0.00 0.00 54.97 54.26 1ibz s GLU 36 Cb -0.13 -2.40 0.03 0.00 0.10 0.00 0.00 34.13 31.73 1ibz s GLU 36 CO 0.03 -0.61 1.09 -1.25 0.02 0.00 0.00 175.26 174.54 1ibz s PRO 37 N 1.57 2.66 0.02 0.39 0.04 -1.26 -0.48 135.00 137.95 1ibz s PRO 37 Ca -0.04 0.58 0.22 0.00 0.04 0.00 0.00 61.00 61.80 1ibz s PRO 37 Cb -0.18 -1.99 -0.07 0.00 0.04 0.00 0.00 34.50 32.30 1ibz s PRO 37 CO -0.07 -1.20 0.92 -0.85 0.04 0.00 0.00 177.00 175.84 1ibz n GLU 38 N -3.14 0.27 -4.87 4.56 0.28 -1.09 -4.85 120.64 111.80 1ibz n GLU 38 Ca 0.07 -0.03 -0.33 0.00 -0.16 0.00 0.00 57.16 56.71 1ibz n GLU 38 Cb 0.56 -1.56 -0.15 0.00 1.43 0.00 0.00 31.44 31.73 1ibz n GLU 38 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 1ibz s THR 39 N -3.20 2.86 -0.14 3.84 2.01 -1.26 -1.31 115.64 118.45 1ibz s THR 39 Ca 0.03 -0.73 0.01 0.00 0.31 0.00 0.00 61.69 61.31 1ibz s THR 39 Cb 0.15 -2.18 0.02 0.00 0.01 0.00 0.00 72.50 70.49 1ibz s THR 39 CO 0.83 0.53 -0.17 -0.76 -0.69 0.00 0.00 174.62 174.37 1ibz s LEU 40 N 0.31 1.83 -0.20 4.42 1.43 0.00 -4.97 118.68 121.50 1ibz s LEU 40 Ca -0.12 -0.51 -0.02 0.00 -1.03 0.00 0.00 54.13 52.45 1ibz s LEU 40 Cb -0.16 -1.23 -0.00 0.00 0.03 0.00 0.00 46.19 44.82 1ibz s LEU 40 CO 0.06 0.00 -0.09 -0.69 0.23 0.00 0.00 176.35 175.87 1ibz s VAL 41 N 1.16 3.06 0.34 -1.59 1.01 -1.26 0.13 120.40 123.25 1ibz s VAL 41 Ca -0.01 -0.61 0.03 0.00 0.00 0.00 0.00 61.98 61.39 1ibz s VAL 41 Cb -0.14 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 33.84 1ibz s VAL 41 CO -0.06 0.46 0.11 0.68 0.00 0.00 0.00 175.10 176.29 1ibz s VAL 42 N 1.28 0.72 -0.09 2.92 -7.23 0.80 -4.97 120.40 113.83 1ibz s VAL 42 Ca 0.03 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.17 1ibz s VAL 42 Cb -0.14 -2.56 -0.04 0.00 0.56 0.00 0.00 36.38 34.21 1ibz s VAL 42 CO -0.04 0.00 0.07 -0.75 -0.31 0.00 0.00 175.10 174.07 1ibz s LYS 43 N -3.83 3.19 0.14 4.82 2.20 -1.26 -1.01 119.74 123.99 1ibz s LYS 43 Ca 0.32 -0.30 -0.34 0.00 -0.36 0.00 0.00 55.97 55.28 1ibz s LYS 43 Cb 0.06 -2.97 -0.15 0.00 -1.51 0.00 0.00 37.83 33.26 1ibz s LYS 43 CO 0.15 0.73 1.45 1.17 -0.36 0.00 0.00 175.35 178.48 1ibz n LYS 44 N 1.93 1.72 0.00 4.03 4.81 0.01 -1.13 118.16 129.52 1ibz n LYS 44 Ca -0.18 0.62 0.00 0.00 -0.87 0.00 0.00 58.31 57.87 1ibz n LYS 44 Cb 0.54 -2.31 0.00 0.00 0.02 0.00 0.00 35.03 33.28 1ibz n LYS 44 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ibz n GLY 45 N 2.86 2.91 3.76 3.14 0.00 0.11 -5.00 105.19 112.98 1ibz n GLY 45 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 1ibz n GLY 45 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ibz s ASP 46 N -1.21 5.85 -0.37 1.61 1.01 -0.29 -4.71 116.67 118.55 1ibz s ASP 46 Ca 0.00 2.76 -0.18 0.00 0.71 0.00 0.00 52.55 55.84 1ibz s ASP 46 Cb 0.00 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.29 1ibz s ASP 46 CO 0.00 -1.18 0.52 0.00 0.21 0.00 0.00 175.17 174.72 1ibz s ALA 47 N -1.27 3.45 -0.06 5.23 0.00 -1.26 -1.37 121.76 126.47 1ibz s ALA 47 Ca 0.63 -1.13 -0.12 0.00 0.00 0.00 0.00 51.96 51.34 1ibz s ALA 47 Cb -0.40 -3.06 -0.05 0.00 0.00 0.00 0.00 23.12 19.61 1ibz s ALA 47 CO 0.50 -1.36 0.31 0.08 0.00 0.00 0.00 175.76 175.29 1ibz s VAL 48 N 2.41 5.22 -0.18 0.00 1.01 0.25 -4.95 120.40 124.15 1ibz s VAL 48 Ca 0.18 0.60 -0.01 0.00 0.00 0.00 0.00 61.98 62.75 1ibz s VAL 48 Cb -0.15 -3.60 0.05 0.00 0.00 0.00 0.00 36.38 32.67 1ibz s VAL 48 CO 0.14 0.56 -0.03 -0.54 0.00 0.00 0.00 175.10 175.24 1ibz s LYS 49 N -0.83 1.25 -0.28 2.72 1.02 -1.26 -1.12 119.74 121.25 1ibz s LYS 49 Ca 0.20 -0.57 -0.03 0.00 0.02 0.00 0.00 55.97 55.58 1ibz s LYS 49 Cb -0.15 -2.12 0.03 0.00 -0.52 0.00 0.00 37.83 35.07 1ibz s LYS 49 CO 0.09 -0.52 -0.00 0.08 -0.92 0.00 0.00 175.35 174.08 1ibz s VAL 50 N 1.65 3.24 -0.53 3.17 1.01 0.18 -2.05 120.40 127.06 1ibz s VAL 50 Ca -0.01 -1.01 -0.23 0.00 0.00 0.00 0.00 61.98 60.73 1ibz s VAL 50 Cb -0.16 -2.70 0.04 0.00 0.00 0.00 0.00 36.38 33.56 1ibz s VAL 50 CO -0.07 0.09 0.86 -0.69 0.00 0.00 0.00 175.10 175.28 1ibz s VAL 51 N 1.36 4.52 -0.33 2.92 1.01 0.11 -0.15 120.40 129.84 1ibz s VAL 51 Ca -0.00 0.11 -0.12 0.00 0.00 0.00 0.00 61.98 61.97 1ibz s VAL 51 Cb -0.17 -4.47 -0.02 0.00 0.00 0.00 0.00 36.38 31.72 1ibz s VAL 51 CO -0.02 -1.02 0.22 -0.69 0.00 0.00 0.00 175.10 173.60 1ibz s VAL 52 N 3.60 5.21 -0.30 2.92 1.01 0.84 -0.93 120.40 132.75 1ibz s VAL 52 Ca 0.27 -0.19 -0.10 0.00 0.00 0.00 0.00 61.98 61.96 1ibz s VAL 52 Cb -0.14 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.57 1ibz s VAL 52 CO 0.18 0.03 0.17 -0.70 0.00 0.00 0.00 175.10 174.78 1ibz s GLU 53 N 1.72 3.59 -0.57 2.72 2.12 -0.16 -0.14 118.70 127.98 1ibz s GLU 53 Ca 0.06 -0.55 -0.21 0.00 0.36 0.00 0.00 54.97 54.63 1ibz s GLU 53 Cb -0.17 -3.61 0.07 0.00 0.26 0.00 0.00 34.13 30.69 1ibz s GLU 53 CO 0.10 -0.32 0.77 1.21 -0.54 0.00 0.00 175.26 176.48 1ibz s ASN 54 N 1.68 6.22 0.00 -1.70 3.04 0.54 -0.93 114.94 123.78 1ibz s ASN 54 Ca 0.06 -1.01 0.21 0.00 0.04 0.00 0.00 52.86 52.16 1ibz s ASN 54 Cb -0.17 -2.34 0.54 0.00 -1.54 0.00 0.00 41.25 37.74 1ibz s ASN 54 CO 0.08 -1.13 1.45 0.29 -3.04 0.00 0.00 177.10 174.75 1ibz n LYS 55 N 6.75 2.18 -2.02 0.43 5.02 0.14 -0.33 118.16 130.34 1ibz n LYS 55 Ca -0.06 -1.80 -0.33 0.00 -2.02 0.00 0.00 58.31 54.10 1ibz n LYS 55 Cb 0.45 -1.45 0.02 0.00 -0.02 0.00 0.00 35.03 34.03 1ibz n LYS 55 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1ibz s SER 56 N -1.39 5.53 0.00 4.39 0.15 -1.17 -4.64 113.70 116.57 1ibz s SER 56 Ca 0.36 1.99 0.25 0.00 0.70 0.00 0.00 55.95 59.24 1ibz s SER 56 Cb 0.20 -2.55 1.32 0.00 -1.71 0.00 0.00 66.02 63.27 1ibz s SER 56 CO 0.28 -1.34 1.83 -0.81 1.20 0.00 0.00 173.24 174.40 1ibz n PRO 57 N -1.93 0.48 -4.34 5.44 -0.04 -1.26 -3.83 135.00 129.51 1ibz n PRO 57 Ca 0.10 0.04 -0.20 0.00 -0.04 0.00 0.00 63.50 63.40 1ibz n PRO 57 Cb 0.52 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.39 1ibz n PRO 57 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1ibz s ILE 58 N -2.40 0.25 0.36 0.52 -4.36 -1.26 -4.83 121.20 109.48 1ibz s ILE 58 Ca 0.28 -2.00 -0.28 0.00 -0.26 0.00 0.00 60.65 58.38 1ibz s ILE 58 Cb 0.17 -2.48 -0.11 0.00 1.25 0.00 0.00 42.46 41.29 1ibz s ILE 58 CO 0.35 0.00 1.50 -0.44 0.24 0.00 0.00 174.94 176.59 1ibz s SER 59 N -3.40 6.35 0.06 4.36 0.01 -1.26 -3.83 113.70 115.98 1ibz s SER 59 Ca 0.35 3.04 0.07 0.00 1.31 0.00 0.00 55.95 60.73 1ibz s SER 59 Cb 0.04 -2.66 -0.03 0.00 0.21 0.00 0.00 66.02 63.58 1ibz s SER 59 CO 0.20 -0.88 -0.21 -1.61 0.41 0.00 0.00 173.24 171.15 1ibz s GLU 60 N -1.84 1.33 0.17 12.44 0.41 -0.01 -4.94 118.70 126.25 1ibz s GLU 60 Ca 0.54 -0.99 0.03 0.00 -0.41 0.00 0.00 54.97 54.15 1ibz s GLU 60 Cb -0.47 -1.47 -0.03 0.00 -1.78 0.00 0.00 34.13 30.38 1ibz s GLU 60 CO 0.61 0.37 0.28 0.20 -0.49 0.00 0.00 175.26 176.22 1ibz s GLY 61 N -1.34 1.63 -0.20 -1.39 0.00 -1.26 -0.09 107.32 104.67 1ibz s GLY 61 Ca 0.07 -1.09 -0.04 0.00 0.00 0.00 0.00 44.72 43.67 1ibz s GLY 61 CO 0.02 -1.09 0.30 -0.12 0.00 0.00 0.00 173.10 172.21 1ibz s PHE 62 N -1.78 -0.54 0.05 1.90 5.36 -0.17 -4.31 117.98 118.48 1ibz s PHE 62 Ca 0.34 0.67 0.02 0.00 -0.96 0.00 0.00 56.93 56.99 1ibz s PHE 62 Cb -0.11 -0.12 -0.03 0.00 -0.34 0.00 0.00 43.02 42.43 1ibz s PHE 62 CO 0.28 -0.59 -0.07 -1.12 -1.46 0.00 0.00 175.22 172.26 1ibz s SER 63 N 2.44 0.78 -0.31 6.13 0.01 0.13 -0.85 113.70 122.03 1ibz s SER 63 Ca 0.08 -0.61 0.01 0.00 1.31 0.00 0.00 55.95 56.73 1ibz s SER 63 Cb -0.15 0.06 0.15 0.00 0.21 0.00 0.00 66.02 66.29 1ibz s SER 63 CO -0.13 -0.26 0.35 -0.63 0.41 0.00 0.00 173.24 172.98 1ibz s ILE 64 N -1.75 -0.47 0.23 1.44 1.01 0.01 -1.30 121.20 120.36 1ibz s ILE 64 Ca -0.08 -0.51 -0.06 0.00 0.00 0.00 0.00 60.65 60.00 1ibz s ILE 64 Cb -0.08 -0.92 0.18 0.00 0.01 0.00 0.00 42.46 41.66 1ibz s ILE 64 CO -0.01 -0.43 1.78 0.44 0.00 0.00 0.00 174.94 176.73 1ibz h ASP 65 N 7.99 0.48 -0.81 3.58 3.32 -1.79 -2.00 116.42 127.19 1ibz h ASP 65 Ca -0.08 0.06 0.22 0.00 0.02 0.00 0.00 57.03 57.25 1ibz h ASP 65 Cb 1.09 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 40.58 1ibz h ASP 65 CO 0.29 0.27 0.57 0.00 -1.72 0.00 0.00 179.24 178.65 1ibz h ALA 66 N 1.44 2.64 -0.09 3.45 0.00 -1.94 -1.77 119.26 122.99 1ibz h ALA 66 Ca 0.36 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.21 1ibz h ALA 66 Cb 0.38 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1ibz h ALA 66 CO -0.27 -0.88 -0.31 1.19 0.00 0.00 0.00 179.25 178.98 1ibz n PHE 67 N -4.34 0.28 -2.33 0.00 3.01 -1.11 -4.97 117.46 108.00 1ibz n PHE 67 Ca 0.17 -1.42 -0.21 0.00 1.01 0.00 0.00 57.45 57.00 1ibz n PHE 67 Cb 0.83 -0.29 -0.02 0.00 -0.01 0.00 0.00 39.48 39.99 1ibz n PHE 67 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ibz n GLY 68 N -1.15 -0.27 3.62 1.37 0.00 -0.67 -4.98 105.19 103.12 1ibz n GLY 68 Ca 0.22 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.85 1ibz n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ibz s VAL 69 N -3.01 5.16 -0.40 1.61 1.01 -0.77 -4.99 120.40 119.01 1ibz s VAL 69 Ca 0.00 0.65 0.04 0.00 0.00 0.00 0.00 61.98 62.68 1ibz s VAL 69 Cb 0.00 -3.73 0.17 0.00 0.00 0.00 0.00 36.38 32.82 1ibz s VAL 69 CO 0.00 0.16 0.45 -1.58 0.00 0.00 0.00 175.10 174.13 1ibz s GLN 70 N 1.99 0.76 0.25 2.72 0.74 -1.26 -0.81 119.66 124.06 1ibz s GLN 70 Ca 0.17 -1.00 0.10 0.00 0.05 0.00 0.00 55.36 54.68 1ibz s GLN 70 Cb -0.16 -0.62 -0.04 0.00 1.10 0.00 0.00 33.01 33.29 1ibz s GLN 70 CO 0.09 -1.24 -0.03 -1.21 -0.55 0.00 0.00 175.29 172.35 1ibz s GLU 71 N 1.20 2.22 -0.11 1.67 0.41 -0.03 -4.98 118.70 119.08 1ibz s GLU 71 Ca 0.21 -1.41 0.00 0.00 -0.41 0.00 0.00 54.97 53.36 1ibz s GLU 71 Cb -0.09 -2.14 0.02 0.00 -1.78 0.00 0.00 34.13 30.14 1ibz s GLU 71 CO -0.06 0.38 -0.10 0.08 -0.49 0.00 0.00 175.26 175.07 1ibz s VAL 72 N -2.22 1.15 -0.18 2.63 1.01 -1.26 -1.00 120.40 120.53 1ibz s VAL 72 Ca 0.30 -0.40 -0.06 0.00 0.00 0.00 0.00 61.98 61.82 1ibz s VAL 72 Cb -0.07 -1.12 -0.03 0.00 0.00 0.00 0.00 36.38 35.16 1ibz s VAL 72 CO 0.19 0.38 0.02 -0.63 0.00 0.00 0.00 175.10 175.06 1ibz s ILE 73 N 1.37 4.39 0.68 2.22 1.09 0.88 -4.94 121.20 126.88 1ibz s ILE 73 Ca -0.01 -0.18 -0.14 0.00 -1.10 0.00 0.00 60.65 59.22 1ibz s ILE 73 Cb -0.14 -2.97 0.01 0.00 -1.06 0.00 0.00 42.46 38.31 1ibz s ILE 73 CO -0.05 0.46 1.11 -0.54 -0.10 0.00 0.00 174.94 175.82 1ibz s LYS 74 N 0.47 2.70 0.16 2.79 1.02 -1.26 -0.83 119.74 124.79 1ibz s LYS 74 Ca 0.00 1.38 -0.33 0.00 0.02 0.00 0.00 55.97 57.04 1ibz s LYS 74 Cb -0.13 -1.94 -0.13 0.00 -0.52 0.00 0.00 37.83 35.11 1ibz s LYS 74 CO 0.02 -1.32 1.65 0.00 -0.92 0.00 0.00 175.35 174.77 1ibz n ALA 75 N -2.56 1.78 -0.91 5.17 0.00 -1.25 -0.81 120.51 121.93 1ibz n ALA 75 Ca 0.10 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.96 1ibz n ALA 75 Cb 0.52 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.55 1ibz n ALA 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ibz n GLY 76 N 3.66 0.70 3.92 0.00 0.00 0.55 -4.99 105.19 109.03 1ibz n GLY 76 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 1ibz n GLY 76 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ibz s GLU 77 N -0.27 3.56 -0.05 1.61 2.12 0.01 -4.84 118.70 120.84 1ibz s GLU 77 Ca 0.00 -0.21 0.06 0.00 0.36 0.00 0.00 54.97 55.17 1ibz s GLU 77 Cb 0.00 -2.78 -0.02 0.00 0.26 0.00 0.00 34.13 31.59 1ibz s GLU 77 CO 0.00 0.35 -0.22 0.99 -0.54 0.00 0.00 175.26 175.84 1ibz s THR 78 N -1.91 2.33 -0.06 -1.70 2.01 -1.26 -0.34 115.64 114.70 1ibz s THR 78 Ca 0.40 -0.98 -0.05 0.00 0.31 0.00 0.00 61.69 61.38 1ibz s THR 78 Cb -0.11 -1.86 0.02 0.00 0.01 0.00 0.00 72.50 70.56 1ibz s THR 78 CO 0.29 0.57 0.16 -0.75 -0.69 0.00 0.00 174.62 174.20 1ibz s LYS 79 N -0.32 0.16 -0.23 4.92 2.20 0.80 -4.98 119.74 122.29 1ibz s LYS 79 Ca 0.02 0.29 -0.17 0.00 -0.36 0.00 0.00 55.97 55.74 1ibz s LYS 79 Cb -0.13 -0.01 -0.03 0.00 -1.51 0.00 0.00 37.83 36.15 1ibz s LYS 79 CO 0.02 -0.07 0.45 0.99 -0.36 0.00 0.00 175.35 176.38 1ibz s THR 80 N 0.50 5.14 -0.19 3.43 2.01 -1.26 -0.11 115.64 125.15 1ibz s THR 80 Ca -0.03 0.79 -0.07 0.00 0.31 0.00 0.00 61.69 62.68 1ibz s THR 80 Cb -0.05 -3.78 -0.04 0.00 0.01 0.00 0.00 72.50 68.65 1ibz s THR 80 CO -0.02 0.17 0.06 -0.63 -0.69 0.00 0.00 174.62 173.50 1ibz s ILE 81 N 1.79 4.61 0.01 1.82 1.01 0.78 -4.92 121.20 126.30 1ibz s ILE 81 Ca 0.20 -0.09 0.02 0.00 0.00 0.00 0.00 60.65 60.78 1ibz s ILE 81 Cb -0.15 -3.09 -0.01 0.00 0.01 0.00 0.00 42.46 39.22 1ibz s ILE 81 CO 0.09 0.44 -0.07 -0.55 0.00 0.00 0.00 174.94 174.84 1ibz s SER 82 N 0.64 0.85 0.08 3.58 0.15 -1.26 0.51 113.70 118.24 1ibz s SER 82 Ca 0.03 -0.24 -0.27 0.00 0.70 0.00 0.00 55.95 56.17 1ibz s SER 82 Cb -0.13 -0.06 0.08 0.00 -1.71 0.00 0.00 66.02 64.20 1ibz s SER 82 CO 0.02 0.01 1.01 0.72 1.20 0.00 0.00 173.24 176.19 1ibz s PHE 83 N -0.48 -0.16 -0.22 3.44 -0.71 -0.27 -5.00 117.98 114.58 1ibz s PHE 83 Ca -0.00 -0.07 -0.08 0.00 -1.04 0.00 0.00 56.93 55.73 1ibz s PHE 83 Cb -0.05 0.60 -0.04 0.00 -1.21 0.00 0.00 43.02 42.33 1ibz s PHE 83 CO 0.00 -0.66 0.09 0.99 -1.34 0.00 0.00 175.22 174.29 1ibz s THR 84 N -3.09 4.72 -1.30 -4.49 2.01 -1.26 0.85 115.64 113.09 1ibz s THR 84 Ca 0.11 -0.05 -0.15 0.00 0.31 0.00 0.00 61.69 61.91 1ibz s THR 84 Cb -0.00 -3.17 0.11 0.00 0.01 0.00 0.00 72.50 69.44 1ibz s THR 84 CO -0.01 0.39 1.74 0.00 -0.69 0.00 0.00 174.62 176.05 1ibz n ALA 85 N 4.23 4.16 1.53 7.40 0.00 -0.47 -4.75 120.51 132.61 1ibz n ALA 85 Ca -0.16 -4.03 0.15 0.00 0.00 0.00 0.00 53.44 49.40 1ibz n ALA 85 Cb 0.52 -3.36 0.76 0.00 0.00 0.00 0.00 19.45 17.37 1ibz n ALA 85 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1ibz n ASP 86 N 6.71 0.13 -4.11 0.00 3.85 -1.26 0.09 116.55 121.96 1ibz n ASP 86 Ca 0.45 -0.43 -0.25 0.00 -0.71 0.00 0.00 54.79 53.85 1ibz n ASP 86 Cb 0.43 -0.18 -0.16 0.00 -1.35 0.00 0.00 41.12 39.86 1ibz n ASP 86 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 1ibz s LYS 87 N -2.43 1.69 0.50 0.11 1.02 -1.26 -4.80 119.74 114.57 1ibz s LYS 87 Ca 0.33 -0.56 -0.15 0.00 0.02 0.00 0.00 55.97 55.61 1ibz s LYS 87 Cb 0.21 -1.47 -0.07 0.00 -0.52 0.00 0.00 37.83 35.98 1ibz s LYS 87 CO 0.45 0.21 0.94 0.00 -0.92 0.00 0.00 175.35 176.02 1ibz s ALA 88 N 0.12 3.13 0.00 5.17 0.00 -1.26 -4.76 121.76 124.16 1ibz s ALA 88 Ca -0.05 0.07 0.00 0.00 0.00 0.00 0.00 51.96 51.98 1ibz s ALA 88 Cb -0.12 -3.02 0.00 0.00 0.00 0.00 0.00 23.12 19.98 1ibz s ALA 88 CO 0.02 -0.23 0.00 0.41 0.00 0.00 0.00 175.76 175.96 1ibz n GLY 89 N -1.64 0.96 3.01 0.00 0.00 -0.22 -4.95 105.19 102.35 1ibz n GLY 89 Ca 0.06 -1.92 -0.26 0.00 0.00 0.00 0.00 46.02 43.90 1ibz n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ibz s ALA 90 N -1.05 1.36 -0.03 4.61 0.00 -1.26 -0.68 121.76 124.70 1ibz s ALA 90 Ca 0.00 -0.50 0.04 0.00 0.00 0.00 0.00 51.96 51.50 1ibz s ALA 90 Cb 0.00 -0.68 -0.00 0.00 0.00 0.00 0.00 23.12 22.44 1ibz s ALA 90 CO 0.00 -0.02 -0.14 -0.06 0.00 0.00 0.00 175.76 175.54 1ibz s PHE 91 N 0.91 1.36 0.17 0.00 0.40 -0.03 -4.97 117.98 115.82 1ibz s PHE 91 Ca -0.10 -0.33 -0.31 0.00 -0.60 0.00 0.00 56.93 55.59 1ibz s PHE 91 Cb -0.15 -0.91 -0.09 0.00 0.51 0.00 0.00 43.02 42.38 1ibz s PHE 91 CO 0.01 -0.10 1.37 0.99 0.70 0.00 0.00 175.22 178.19 1ibz s THR 92 N -0.04 3.16 -0.29 0.64 2.01 -1.26 -0.36 115.64 119.49 1ibz s THR 92 Ca -0.00 0.89 -0.11 0.00 0.31 0.00 0.00 61.69 62.78 1ibz s THR 92 Cb -0.09 -3.57 -0.03 0.00 0.01 0.00 0.00 72.50 68.82 1ibz s THR 92 CO 0.01 0.10 0.17 -0.63 -0.69 0.00 0.00 174.62 173.58 1ibz s ILE 93 N 0.59 5.00 0.17 1.82 1.01 -0.21 -4.37 121.20 125.21 1ibz s ILE 93 Ca 0.61 -0.08 -0.01 0.00 0.00 0.00 0.00 60.65 61.17 1ibz s ILE 93 Cb -0.38 -3.45 -0.04 0.00 0.01 0.00 0.00 42.46 38.61 1ibz s ILE 93 CO 0.35 0.17 0.10 -1.66 0.00 0.00 0.00 174.94 173.90 1ibz s TRP 94 N 1.70 1.04 -0.25 3.97 1.48 -0.42 0.02 118.94 126.48 1ibz s TRP 94 Ca 0.06 -1.32 -0.09 0.00 -1.06 0.00 0.00 56.10 53.69 1ibz s TRP 94 Cb -0.16 -0.53 -0.04 0.00 -1.16 0.00 0.00 33.47 31.58 1ibz s TRP 94 CO 0.09 -0.59 0.12 0.00 -4.06 0.00 0.00 176.95 172.51 1ibz n GLN 96 N 4.81 0.99 -0.07 0.00 0.00 -1.26 -3.93 117.38 117.93 1ibz n GLN 96 Ca -0.15 -0.23 -0.13 0.00 0.00 0.00 0.00 57.00 56.49 1ibz n GLN 96 Cb 0.52 -1.50 -0.14 0.00 0.00 0.00 0.00 30.24 29.12 1ibz n GLN 96 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1ibz n LEU 97 N -0.80 1.23 -4.49 2.61 4.77 -1.26 -5.02 117.00 114.03 1ibz n LEU 97 Ca 0.20 0.13 -0.24 0.00 -0.03 0.00 0.00 56.01 56.07 1ibz n LEU 97 Cb 0.21 -0.12 -0.10 0.00 -2.33 0.00 0.00 43.42 41.08 1ibz n LEU 97 CO 0.19 0.60 -0.36 -1.00 -1.33 0.00 0.00 177.39 175.50 1ibz s HIS 98 N -2.54 2.19 0.25 -1.77 3.76 -1.25 -5.10 115.29 110.83 1ibz s HIS 98 Ca -0.15 -0.62 -0.31 0.00 -0.15 0.00 0.00 55.06 53.83 1ibz s HIS 98 Cb 0.07 -1.29 -0.13 0.00 1.11 0.00 0.00 32.58 32.35 1ibz s HIS 98 CO 0.78 0.41 1.50 -2.30 -0.85 0.00 0.00 174.74 174.28 1ibz n PRO 99 N -0.71 2.29 0.32 8.40 -0.02 -1.26 -4.77 135.00 139.25 1ibz n PRO 99 Ca -0.05 0.82 0.19 0.00 -2.02 0.00 0.00 63.50 62.44 1ibz n PRO 99 Cb 0.64 -2.54 1.08 0.00 -0.02 0.00 0.00 33.50 32.66 1ibz n PRO 99 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1ibz h LYS 100 N 4.71 0.00 -0.48 -0.52 1.57 -1.88 0.38 116.57 120.36 1ibz h LYS 100 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1ibz h LYS 100 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1ibz h LYS 100 CO 0.79 0.00 0.00 0.27 -0.57 0.00 0.00 179.45 179.94 1ibz n ASN 101 N -3.43 2.85 -0.03 0.86 6.94 -1.26 -3.42 115.26 117.78 1ibz n ASN 101 Ca -0.03 -1.96 -0.05 0.00 -0.02 0.00 0.00 54.58 52.52 1ibz n ASN 101 Cb 0.09 -0.32 -0.02 0.00 -2.36 0.00 0.00 39.78 37.18 1ibz n ASN 101 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 1ibz n ILE 102 N 1.07 1.35 -3.19 1.53 2.08 -0.02 -4.77 119.36 117.40 1ibz n ILE 102 Ca 0.18 0.26 -0.46 0.00 0.56 0.00 0.00 62.75 63.30 1ibz n ILE 102 Cb 0.47 -2.00 -0.03 0.00 -0.75 0.00 0.00 39.64 37.33 1ibz n ILE 102 CO 0.00 0.00 0.00 -2.28 0.56 0.00 0.00 176.55 174.83 1ibz s HIS 103 N -2.47 3.36 0.30 1.39 2.46 -0.37 -1.42 115.29 118.54 1ibz s HIS 103 Ca -0.16 -1.50 -0.30 0.00 0.47 0.00 0.00 55.06 53.57 1ibz s HIS 103 Cb 0.02 -3.96 -0.12 0.00 -0.13 0.00 0.00 32.58 28.40 1ibz s HIS 103 CO 0.23 -1.17 1.55 1.28 -2.47 0.00 0.00 174.74 174.17 1ibz n LEU 104 N 5.27 4.23 -4.81 8.88 4.77 -0.97 -4.46 117.00 129.91 1ibz n LEU 104 Ca 0.05 1.16 -0.30 0.00 -0.03 0.00 0.00 56.01 56.89 1ibz n LEU 104 Cb 0.45 -1.57 0.08 0.00 -2.33 0.00 0.00 43.42 40.05 1ibz n LEU 104 CO 0.46 0.05 0.72 -2.84 -1.33 0.00 0.00 177.39 174.45 1ibz s PRO 105 N -0.73 2.21 0.00 3.23 0.02 -1.26 -4.55 135.00 133.92 1ibz s PRO 105 Ca 0.63 0.63 0.00 0.00 0.02 0.00 0.00 61.00 62.28 1ibz s PRO 105 Cb -0.51 -1.93 0.00 0.00 0.02 0.00 0.00 34.50 32.07 1ibz s PRO 105 CO 0.51 -1.53 0.00 0.41 -0.33 0.00 0.00 177.00 176.06 1ibz n GLY 106 N -2.19 5.65 2.99 0.52 0.00 0.10 -4.95 105.19 107.31 1ibz n GLY 106 Ca 0.07 -1.83 -0.12 0.00 0.00 0.00 0.00 46.02 44.14 1ibz n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ibz s THR 107 N -0.52 0.03 -0.26 2.61 2.01 -0.43 -1.05 115.64 118.04 1ibz s THR 107 Ca 0.00 -0.26 -0.04 0.00 0.31 0.00 0.00 61.69 61.69 1ibz s THR 107 Cb 0.00 -0.20 0.01 0.00 0.01 0.00 0.00 72.50 72.32 1ibz s THR 107 CO 0.00 -0.15 0.01 -0.22 -0.69 0.00 0.00 174.62 173.57 1ibz s LEU 108 N -0.44 3.39 -0.17 4.42 2.96 0.52 -0.82 118.68 128.54 1ibz s LEU 108 Ca -0.05 -0.65 -0.05 0.00 -0.22 0.00 0.00 54.13 53.15 1ibz s LEU 108 Cb -0.03 -1.78 -0.03 0.00 0.50 0.00 0.00 46.19 44.84 1ibz s LEU 108 CO 0.00 -0.12 0.00 0.20 -1.32 0.00 0.00 176.35 175.11 1ibz s ASN 109 N 1.45 5.06 -0.28 3.68 0.01 0.12 -0.85 114.94 124.13 1ibz s ASN 109 Ca 0.03 -0.08 0.01 0.00 -0.71 0.00 0.00 52.86 52.11 1ibz s ASN 109 Cb -0.16 -1.85 0.06 0.00 0.41 0.00 0.00 41.25 39.71 1ibz s ASN 109 CO -0.01 0.15 -0.05 -0.69 -1.51 0.00 0.00 177.10 174.99 1ibz s VAL 110 N 0.48 2.50 0.22 1.60 1.01 0.14 -0.14 120.40 126.21 1ibz s VAL 110 Ca -0.01 -1.60 0.05 0.00 0.00 0.00 0.00 61.98 60.42 1ibz s VAL 110 Cb -0.14 -2.49 -0.03 0.00 0.00 0.00 0.00 36.38 33.72 1ibz s VAL 110 CO 0.02 -0.11 0.27 0.68 0.00 0.00 0.00 175.10 175.97 1ibz s VAL 111 N 1.15 4.96 -1.90 2.92 -7.23 -0.18 -1.06 120.40 119.06 1ibz s VAL 111 Ca -0.06 -1.05 0.00 0.00 -1.81 0.00 0.00 61.98 59.06 1ibz s VAL 111 Cb -0.20 -3.65 0.00 0.00 0.56 0.00 0.00 36.38 33.09 1ibz s VAL 111 CO -0.04 -0.26 0.48 -0.62 -0.31 0.00 0.00 175.10 174.35