#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ifb n PHE 2 N 0.00 0.38 -1.62 0.00 3.01 -1.26 -4.94 117.46 113.04 1ifb n PHE 2 Ca 0.00 0.11 -0.48 0.00 1.01 0.00 0.00 57.45 58.09 1ifb n PHE 2 Cb 0.00 -0.62 -0.04 0.00 -0.01 0.00 0.00 39.48 38.81 1ifb n PHE 2 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1ifb n ASP 3 N -1.84 2.04 0.00 4.37 8.00 -1.26 -4.60 116.55 123.25 1ifb n ASP 3 Ca 0.06 1.13 0.00 0.00 0.71 0.00 0.00 54.79 56.68 1ifb n ASP 3 Cb 0.39 -1.29 0.00 0.00 -0.02 0.00 0.00 41.12 40.19 1ifb n ASP 3 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ifb n GLY 4 N 2.40 -0.09 3.45 0.44 0.00 -0.56 -4.94 105.19 105.89 1ifb n GLY 4 Ca 0.15 -2.24 -0.34 0.00 0.00 0.00 0.00 46.02 43.59 1ifb n GLY 4 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ifb s THR 5 N 0.00 3.79 -0.15 2.61 -1.32 -1.25 0.76 115.64 120.07 1ifb s THR 5 Ca 0.00 -0.38 0.02 0.00 -1.21 0.00 0.00 61.69 60.12 1ifb s THR 5 Cb 0.00 -2.69 0.02 0.00 -1.51 0.00 0.00 72.50 68.32 1ifb s THR 5 CO 0.00 0.46 -0.20 0.26 -2.21 0.00 0.00 174.62 172.93 1ifb s TRP 6 N 0.73 2.60 -0.16 9.09 0.52 0.44 -1.98 118.94 130.19 1ifb s TRP 6 Ca -0.01 -1.41 -0.04 0.00 0.02 0.00 0.00 56.10 54.65 1ifb s TRP 6 Cb -0.14 -1.80 -0.03 0.00 -1.15 0.00 0.00 33.47 30.35 1ifb s TRP 6 CO 0.02 -0.68 -0.02 0.15 0.02 0.00 0.00 176.95 176.44 1ifb s LYS 7 N 1.08 3.70 0.34 4.98 1.02 -0.26 -0.82 119.74 129.77 1ifb s LYS 7 Ca -0.01 -0.48 -0.29 0.00 0.02 0.00 0.00 55.97 55.21 1ifb s LYS 7 Cb -0.14 -2.97 -0.12 0.00 -0.52 0.00 0.00 37.83 34.08 1ifb s LYS 7 CO -0.07 0.27 1.42 1.33 -0.92 0.00 0.00 175.35 177.39 1ifb n VAL 8 N 3.45 1.75 -0.02 3.17 0.24 0.11 -0.76 118.33 126.27 1ifb n VAL 8 Ca -0.17 -0.44 -0.06 0.00 -2.04 0.00 0.00 64.34 61.63 1ifb n VAL 8 Cb 0.52 -1.78 -0.02 0.00 -1.47 0.00 0.00 33.84 31.10 1ifb n VAL 8 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1ifb n ASP 9 N 1.00 0.98 -3.88 -1.34 -0.08 0.98 -4.81 116.55 109.40 1ifb n ASP 9 Ca 0.05 0.15 -0.11 0.00 -1.51 0.00 0.00 54.79 53.37 1ifb n ASP 9 Cb 0.37 -0.35 -0.10 0.00 2.34 0.00 0.00 41.12 43.38 1ifb n ASP 9 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ifb s ARG 10 N -2.22 0.54 0.12 -0.67 1.70 0.02 -4.96 118.95 113.48 1ifb s ARG 10 Ca -0.10 -0.51 0.11 0.00 -0.47 0.00 0.00 55.73 54.75 1ifb s ARG 10 Cb 0.03 0.22 -0.04 0.00 -0.57 0.00 0.00 34.95 34.59 1ifb s ARG 10 CO 0.14 -0.13 -0.26 -0.80 -1.08 0.00 0.00 175.30 173.17 1ifb s ASN 11 N -1.64 3.38 -0.16 -2.89 0.01 -1.26 0.16 114.94 112.55 1ifb s ASN 11 Ca -0.11 -0.71 -0.00 0.00 -0.71 0.00 0.00 52.86 51.33 1ifb s ASN 11 Cb -0.05 -0.27 0.03 0.00 0.41 0.00 0.00 41.25 41.37 1ifb s ASN 11 CO -0.00 0.19 -0.08 -0.70 -1.51 0.00 0.00 177.10 174.99 1ifb s GLU 12 N -1.99 1.74 -1.23 -0.60 2.56 1.11 -4.84 118.70 115.45 1ifb s GLU 12 Ca 0.14 -0.52 -0.07 0.00 0.00 0.00 0.00 54.97 54.52 1ifb s GLU 12 Cb -0.10 -2.00 0.05 0.00 2.00 0.00 0.00 34.13 34.08 1ifb s GLU 12 CO 0.06 -0.35 0.38 -1.71 -0.56 0.00 0.00 175.26 173.08 1ifb n ASN 13 N 4.84 -3.89 0.05 -1.70 5.15 -1.26 -0.59 115.26 117.85 1ifb n ASN 13 Ca -0.14 -0.23 -0.20 0.00 -0.60 0.00 0.00 54.58 53.42 1ifb n ASN 13 Cb 0.48 -3.24 -0.10 0.00 -0.53 0.00 0.00 39.78 36.40 1ifb n ASN 13 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 1ifb h TYR 14 N -0.77 1.01 -0.04 1.20 3.20 -1.88 -2.83 116.97 116.87 1ifb h TYR 14 Ca -0.40 -0.55 -0.16 0.00 3.14 0.00 0.00 58.73 60.76 1ifb h TYR 14 Cb 1.27 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 39.42 1ifb h TYR 14 CO 0.67 1.39 -0.71 0.93 -1.64 0.00 0.00 178.16 178.80 1ifb h GLU 15 N 0.38 0.20 -0.52 1.82 5.08 -1.94 -1.95 114.58 117.65 1ifb h GLU 15 Ca -0.13 -0.17 -0.08 0.00 -1.00 0.00 0.00 59.36 57.99 1ifb h GLU 15 Cb 1.70 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.96 1ifb h GLU 15 CO 0.20 0.83 0.01 0.87 -1.00 0.00 0.00 179.01 179.92 1ifb h LYS 16 N 0.14 0.87 -0.08 2.33 1.57 -1.96 0.59 116.57 120.03 1ifb h LYS 16 Ca -0.02 -0.24 -0.17 0.00 -1.87 0.00 0.00 60.65 58.35 1ifb h LYS 16 Cb 1.26 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.46 1ifb h LYS 16 CO 0.11 0.86 -0.70 0.35 -0.57 0.00 0.00 179.45 179.50 1ifb h PHE 17 N 0.81 0.48 -0.06 -1.35 3.57 -1.47 -1.65 116.94 117.27 1ifb h PHE 17 Ca 0.16 -0.21 -0.24 0.00 3.53 0.00 0.00 57.97 61.21 1ifb h PHE 17 Cb 0.47 -0.08 0.01 0.00 2.79 0.00 0.00 35.95 39.14 1ifb h PHE 17 CO 0.03 0.94 -0.91 0.52 -2.23 0.00 0.00 178.31 176.66 1ifb h MET 18 N 0.25 0.64 -0.79 1.11 2.86 -0.44 -2.23 114.93 116.33 1ifb h MET 18 Ca -0.02 -0.61 0.03 0.00 -2.06 0.00 0.00 59.70 57.04 1ifb h MET 18 Cb 1.25 0.16 -0.05 0.00 0.06 0.00 0.00 31.60 33.02 1ifb h MET 18 CO 0.12 1.22 0.50 0.93 1.06 0.00 0.00 176.91 180.74 1ifb h GLU 19 N 0.39 0.95 -0.68 1.72 5.08 0.15 -2.15 114.58 120.04 1ifb h GLU 19 Ca -0.08 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.20 1ifb h GLU 19 Cb 1.54 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 30.55 1ifb h GLU 19 CO 0.17 0.63 0.34 -0.22 -1.00 0.00 0.00 179.01 178.93 1ifb h LYS 20 N 0.97 0.97 0.00 2.33 1.63 -1.08 -2.80 116.57 118.60 1ifb h LYS 20 Ca 0.32 -0.14 0.00 0.00 -0.85 0.00 0.00 60.65 59.98 1ifb h LYS 20 Cb 0.02 -0.18 0.00 0.00 -0.60 0.00 0.00 32.23 31.47 1ifb h LYS 20 CO -0.11 0.76 0.00 -1.33 -3.45 0.00 0.00 179.45 175.32 1ifb n MET 21 N -4.47 0.10 -0.64 1.90 2.81 -0.86 -4.88 117.12 111.08 1ifb n MET 21 Ca 0.05 0.22 0.00 0.00 -1.81 0.00 0.00 57.70 56.17 1ifb n MET 21 Cb 0.12 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.13 1ifb n MET 21 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ifb n GLY 22 N -0.24 0.63 3.74 3.03 0.00 -1.05 -5.04 105.19 106.26 1ifb n GLY 22 Ca 0.05 -0.45 -0.41 0.00 0.00 0.00 0.00 46.02 45.21 1ifb n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ifb s ILE 23 N -2.00 3.80 0.32 -0.61 1.09 -0.82 -4.99 121.20 117.98 1ifb s ILE 23 Ca 0.00 1.58 -0.29 0.00 -1.10 0.00 0.00 60.65 60.83 1ifb s ILE 23 Cb 0.00 -4.01 -0.12 0.00 -1.06 0.00 0.00 42.46 37.28 1ifb s ILE 23 CO 0.00 0.28 1.53 -3.20 -0.10 0.00 0.00 174.94 173.45 1ifb n ASN 24 N 2.24 3.67 -0.23 3.58 2.85 -1.26 -4.60 115.26 121.50 1ifb n ASN 24 Ca 0.02 1.17 0.02 0.00 -0.11 0.00 0.00 54.58 55.69 1ifb n ASN 24 Cb 0.46 -1.58 0.12 0.00 1.24 0.00 0.00 39.78 40.01 1ifb n ASN 24 CO 0.00 0.00 0.00 -0.37 -2.11 0.00 0.00 177.26 174.78 1ifb h VAL 25 N 3.15 0.37 -0.10 3.44 -1.51 -1.98 0.55 116.25 120.17 1ifb h VAL 25 Ca -0.48 -0.02 -0.14 0.00 -1.23 0.00 0.00 66.70 64.83 1ifb h VAL 25 Cb 1.24 0.29 -0.01 0.00 -2.13 0.00 0.00 31.29 30.68 1ifb h VAL 25 CO 0.73 0.01 -0.55 -0.37 -1.23 0.00 0.00 177.57 176.17 1ifb h VAL 26 N 0.07 1.36 -0.14 7.19 -1.51 -1.99 -1.89 116.25 119.33 1ifb h VAL 26 Ca 0.36 -1.84 -0.14 0.00 -1.23 0.00 0.00 66.70 63.85 1ifb h VAL 26 Cb 0.60 1.88 -0.01 0.00 -2.13 0.00 0.00 31.29 31.63 1ifb h VAL 26 CO -0.64 0.55 -0.51 0.11 -1.23 0.00 0.00 177.57 175.85 1ifb h LYS 27 N 0.23 0.39 -0.15 5.19 1.57 -1.19 -1.70 116.57 120.92 1ifb h LYS 27 Ca 0.00 -0.23 -0.02 0.00 -1.87 0.00 0.00 60.65 58.53 1ifb h LYS 27 Cb 1.03 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.36 1ifb h LYS 27 CO 0.09 0.81 -0.00 0.00 -0.57 0.00 0.00 179.45 179.78 1ifb h ARG 28 N 0.31 0.26 -0.91 3.15 3.08 0.03 -2.06 114.38 118.23 1ifb h ARG 28 Ca 0.01 -0.08 0.12 0.00 0.07 0.00 0.00 59.98 60.10 1ifb h ARG 28 Cb 1.00 -0.02 -0.07 0.00 0.08 0.00 0.00 29.97 30.96 1ifb h ARG 28 CO 0.09 0.49 0.59 -0.22 -1.07 0.00 0.00 179.97 179.84 1ifb h LYS 29 N -0.00 0.81 0.00 0.04 1.63 -1.13 0.34 116.57 118.25 1ifb h LYS 29 Ca 0.04 -0.05 -0.19 0.00 -0.85 0.00 0.00 60.65 59.60 1ifb h LYS 29 Cb 0.37 -0.18 -0.03 0.00 -0.60 0.00 0.00 32.23 31.79 1ifb h LYS 29 CO 0.01 0.53 -0.99 -0.07 -3.45 0.00 0.00 179.45 175.49 1ifb h LEU 30 N 0.83 0.00 -0.70 5.20 3.38 -1.34 -3.29 115.31 119.39 1ifb h LEU 30 Ca 0.44 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.33 1ifb h LEU 30 Cb 0.54 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1ifb h LEU 30 CO -0.21 0.83 -0.41 1.23 0.09 0.00 0.00 178.44 179.98 1ifb h GLY 31 N 3.25 0.00 2.00 0.83 0.00 -0.38 -2.00 103.07 106.78 1ifb h GLY 31 Ca -0.05 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.25 1ifb h GLY 31 CO 0.10 0.00 -0.11 0.00 0.00 0.00 0.00 176.54 176.53 1ifb h ALA 32 N 1.59 1.03 -0.23 3.60 0.00 -1.07 -3.26 119.26 120.91 1ifb h ALA 32 Ca -0.00 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 1ifb h ALA 32 Cb 1.03 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 1ifb h ALA 32 CO 0.05 0.13 -0.08 0.72 0.00 0.00 0.00 179.25 180.07 1ifb n HIS 33 N -3.26 0.75 0.40 0.00 -0.00 -0.77 -4.86 115.22 107.49 1ifb n HIS 33 Ca 0.00 -1.26 0.13 0.00 -0.00 0.00 0.00 57.72 56.59 1ifb n HIS 33 Cb 0.36 -0.35 0.50 0.00 -0.00 0.00 0.00 29.99 30.50 1ifb n HIS 33 CO 0.00 0.00 0.00 0.38 -0.00 0.00 0.00 176.34 176.72 1ifb h ASP 34 N 1.08 0.00 -5.89 0.41 -0.00 -1.56 -3.47 116.42 106.99 1ifb h ASP 34 Ca 0.09 0.00 -0.37 0.00 -0.00 0.00 0.00 57.03 56.75 1ifb h ASP 34 Cb 1.42 0.00 0.11 0.00 -0.00 0.00 0.00 39.33 40.85 1ifb h ASP 34 CO 0.23 0.00 -0.82 0.59 -0.00 0.00 0.00 179.24 179.24 1ifb n ASN 35 N -2.49 -2.22 -4.75 4.15 5.03 -1.26 -0.31 115.26 113.40 1ifb n ASN 35 Ca 0.02 -0.76 -0.40 0.00 0.87 0.00 0.00 54.58 54.32 1ifb n ASN 35 Cb 0.30 -4.48 -0.06 0.00 -1.02 0.00 0.00 39.78 34.52 1ifb n ASN 35 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1ifb s LEU 36 N -6.43 4.62 -0.08 3.41 2.96 -1.26 -4.48 118.68 117.42 1ifb s LEU 36 Ca 0.07 1.96 -0.06 0.00 -0.22 0.00 0.00 54.13 55.89 1ifb s LEU 36 Cb -0.02 -3.65 0.03 0.00 0.50 0.00 0.00 46.19 43.06 1ifb s LEU 36 CO 0.78 0.12 0.20 -0.75 -1.32 0.00 0.00 176.35 175.38 1ifb s LYS 37 N -1.28 0.19 -0.10 1.98 2.20 -0.91 0.08 119.74 121.90 1ifb s LYS 37 Ca 0.42 0.36 0.03 0.00 -0.36 0.00 0.00 55.97 56.42 1ifb s LYS 37 Cb -0.26 -0.01 -0.01 0.00 -1.51 0.00 0.00 37.83 36.05 1ifb s LYS 37 CO 0.32 -0.09 -0.21 -0.51 -0.36 0.00 0.00 175.35 174.50 1ifb s LEU 38 N 0.63 2.26 -0.30 5.43 2.01 -0.00 -1.86 118.68 126.84 1ifb s LEU 38 Ca -0.04 -0.49 0.03 0.00 0.01 0.00 0.00 54.13 53.64 1ifb s LEU 38 Cb -0.06 -1.46 0.08 0.00 0.01 0.00 0.00 46.19 44.76 1ifb s LEU 38 CO -0.03 0.18 -0.02 -0.89 1.01 0.00 0.00 176.35 176.59 1ifb s THR 39 N 0.26 2.09 -0.19 5.49 2.01 -0.97 0.17 115.64 124.49 1ifb s THR 39 Ca -0.14 -1.91 -0.08 0.00 0.31 0.00 0.00 61.69 59.87 1ifb s THR 39 Cb -0.17 -2.39 -0.04 0.00 0.01 0.00 0.00 72.50 69.91 1ifb s THR 39 CO 0.07 -0.33 0.09 -0.63 -0.69 0.00 0.00 174.62 173.13 1ifb s ILE 40 N 1.06 4.96 -0.13 1.82 1.01 0.23 -0.02 121.20 130.13 1ifb s ILE 40 Ca 0.01 0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.69 1ifb s ILE 40 Cb -0.19 -3.25 0.02 0.00 0.01 0.00 0.00 42.46 39.05 1ifb s ILE 40 CO -0.07 0.44 -0.12 -0.89 0.00 0.00 0.00 174.94 174.30 1ifb s THR 41 N 0.47 1.36 -0.25 2.92 2.01 -0.50 -1.50 115.64 120.15 1ifb s THR 41 Ca 0.05 -0.50 -0.12 0.00 0.31 0.00 0.00 61.69 61.43 1ifb s THR 41 Cb -0.12 -1.30 -0.05 0.00 0.01 0.00 0.00 72.50 71.04 1ifb s THR 41 CO 0.00 0.42 0.22 -1.58 -0.69 0.00 0.00 174.62 173.00 1ifb s GLN 42 N 1.52 4.04 -0.60 4.92 0.74 -1.26 -1.78 119.66 127.24 1ifb s GLN 42 Ca 0.04 -0.19 0.06 0.00 0.05 0.00 0.00 55.36 55.31 1ifb s GLN 42 Cb -0.13 -3.59 0.30 0.00 1.10 0.00 0.00 33.01 30.69 1ifb s GLN 42 CO -0.09 -0.07 0.85 0.39 -0.55 0.00 0.00 175.29 175.82 1ifb n GLU 43 N 4.69 2.86 0.00 1.67 1.02 0.33 -5.01 120.64 126.19 1ifb n GLU 43 Ca -0.13 -4.74 0.00 0.00 -0.02 0.00 0.00 57.16 52.27 1ifb n GLU 43 Cb 0.52 -2.23 0.00 0.00 -0.02 0.00 0.00 31.44 29.71 1ifb n GLU 43 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ifb n GLY 44 N 0.27 1.44 0.69 0.62 0.00 -1.26 -2.97 105.19 103.97 1ifb n GLY 44 Ca 0.30 -0.79 0.08 0.00 0.00 0.00 0.00 46.02 45.62 1ifb n GLY 44 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ifb n ASN 45 N 4.13 2.44 -4.57 1.61 6.94 -1.26 -4.85 115.26 119.71 1ifb n ASN 45 Ca 0.00 -1.72 -0.41 0.00 -0.02 0.00 0.00 54.58 52.43 1ifb n ASN 45 Cb 0.00 -0.01 -0.07 0.00 -2.36 0.00 0.00 39.78 37.34 1ifb n ASN 45 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 1ifb s LYS 46 N -1.40 3.70 -0.13 -3.83 2.20 -1.16 -1.53 119.74 117.59 1ifb s LYS 46 Ca 0.20 0.02 -0.05 0.00 -0.36 0.00 0.00 55.97 55.78 1ifb s LYS 46 Cb 0.14 -3.79 -0.04 0.00 -1.51 0.00 0.00 37.83 32.63 1ifb s LYS 46 CO 0.21 -0.67 0.06 -0.06 -0.36 0.00 0.00 175.35 174.53 1ifb s PHE 47 N 2.58 3.32 -0.13 4.03 0.08 0.20 -0.52 117.98 127.54 1ifb s PHE 47 Ca 0.22 0.25 0.03 0.00 0.12 0.00 0.00 56.93 57.55 1ifb s PHE 47 Cb -0.15 -1.94 0.01 0.00 -0.57 0.00 0.00 43.02 40.37 1ifb s PHE 47 CO 0.14 0.44 -0.22 0.99 -0.10 0.00 0.00 175.22 176.46 1ifb s THR 48 N -0.48 2.06 -0.21 0.64 2.01 -0.73 -0.51 115.64 118.42 1ifb s THR 48 Ca 0.10 -0.99 0.02 0.00 0.31 0.00 0.00 61.69 61.13 1ifb s THR 48 Cb -0.12 -1.81 0.04 0.00 0.01 0.00 0.00 72.50 70.62 1ifb s THR 48 CO 0.02 0.55 -0.15 0.68 -0.69 0.00 0.00 174.62 175.03 1ifb s VAL 49 N 0.72 2.02 -0.40 3.82 -7.23 0.27 -1.41 120.40 118.20 1ifb s VAL 49 Ca -0.09 -1.18 -0.25 0.00 -1.81 0.00 0.00 61.98 58.64 1ifb s VAL 49 Cb -0.16 -1.97 0.02 0.00 0.56 0.00 0.00 36.38 34.83 1ifb s VAL 49 CO 0.00 0.29 0.89 -0.75 -0.31 0.00 0.00 175.10 175.22 1ifb s LYS 50 N 1.25 3.73 -0.24 4.82 2.36 0.97 0.18 119.74 132.80 1ifb s LYS 50 Ca -0.01 0.39 -0.09 0.00 -2.55 0.00 0.00 55.97 53.71 1ifb s LYS 50 Cb -0.16 -3.84 -0.04 0.00 -1.05 0.00 0.00 37.83 32.74 1ifb s LYS 50 CO -0.09 -1.01 0.13 -2.00 1.55 0.00 0.00 175.35 173.92 1ifb s GLU 51 N 3.48 3.90 -0.10 4.03 2.12 0.67 -2.28 118.70 130.51 1ifb s GLU 51 Ca 0.36 -0.36 0.01 0.00 0.36 0.00 0.00 54.97 55.34 1ifb s GLU 51 Cb -0.12 -3.46 0.02 0.00 0.26 0.00 0.00 34.13 30.84 1ifb s GLU 51 CO 0.21 -0.05 -0.09 0.45 -0.54 0.00 0.00 175.26 175.23 1ifb s SER 52 N 1.32 2.06 0.08 -1.70 0.15 -0.78 0.13 113.70 114.96 1ifb s SER 52 Ca 0.06 -0.31 0.01 0.00 0.70 0.00 0.00 55.95 56.41 1ifb s SER 52 Cb -0.15 -0.85 -0.00 0.00 -1.71 0.00 0.00 66.02 63.31 1ifb s SER 52 CO 0.06 -0.06 0.08 -1.54 1.20 0.00 0.00 173.24 172.97 1ifb n SER 53 N 4.55 -0.22 0.20 5.45 3.41 0.50 -2.15 113.62 125.35 1ifb n SER 53 Ca -0.16 -1.51 0.13 0.00 -0.26 0.00 0.00 58.87 57.07 1ifb n SER 53 Cb 0.51 0.47 0.31 0.00 -0.26 0.00 0.00 64.21 65.23 1ifb n SER 53 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1ifb h ASN 54 N 0.49 0.00 0.20 4.04 2.35 -0.90 -3.28 115.58 118.48 1ifb h ASN 54 Ca -0.06 0.00 -0.35 0.00 -0.55 0.00 0.00 56.30 55.34 1ifb h ASN 54 Cb 0.29 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.64 1ifb h ASN 54 CO 0.08 0.00 -1.93 -0.26 -1.65 0.00 0.00 177.43 173.68 1ifb h PHE 55 N 0.00 0.42 -2.96 1.19 0.04 -1.95 -3.50 116.94 110.19 1ifb h PHE 55 Ca 0.00 -0.31 0.07 0.00 2.80 0.00 0.00 57.97 60.54 1ifb h PHE 55 Cb 0.85 -0.02 -0.05 0.00 2.20 0.00 0.00 35.95 38.93 1ifb h PHE 55 CO 0.00 1.65 0.25 -0.98 -0.60 0.00 0.00 178.31 178.63 1ifb s ARG 56 N -2.57 1.76 -0.36 1.51 1.70 -1.24 -5.11 118.95 114.65 1ifb s ARG 56 Ca -0.19 -0.98 0.00 0.00 -0.47 0.00 0.00 55.73 54.09 1ifb s ARG 56 Cb 0.07 0.60 0.12 0.00 -0.57 0.00 0.00 34.95 35.16 1ifb s ARG 56 CO 0.79 -0.81 0.17 1.21 -1.08 0.00 0.00 175.30 175.58 1ifb s ASN 57 N -2.93 3.64 0.06 -2.89 3.84 -1.26 0.19 114.94 115.60 1ifb s ASN 57 Ca 0.11 -2.05 0.07 0.00 0.21 0.00 0.00 52.86 51.21 1ifb s ASN 57 Cb -0.06 -0.78 -0.03 0.00 -0.55 0.00 0.00 41.25 39.84 1ifb s ASN 57 CO 0.07 -0.35 -0.19 -0.51 -2.79 0.00 0.00 177.10 173.33 1ifb s ILE 58 N 1.13 1.52 -0.32 -5.21 1.10 0.35 -4.96 121.20 114.81 1ifb s ILE 58 Ca 0.14 -1.25 -0.11 0.00 -0.51 0.00 0.00 60.65 58.92 1ifb s ILE 58 Cb -0.21 -1.36 -0.01 0.00 0.15 0.00 0.00 42.46 41.04 1ifb s ILE 58 CO -0.12 0.06 0.18 -1.81 -2.11 0.00 0.00 174.94 171.15 1ifb s ASP 59 N -1.40 5.73 -0.37 4.50 1.01 -1.26 0.24 116.67 125.12 1ifb s ASP 59 Ca 0.05 -0.51 -0.18 0.00 0.71 0.00 0.00 52.55 52.62 1ifb s ASP 59 Cb -0.09 -2.05 0.00 0.00 1.01 0.00 0.00 42.92 41.79 1ifb s ASP 59 CO 0.02 -0.22 0.48 -0.69 0.21 0.00 0.00 175.17 174.97 1ifb s VAL 60 N 1.65 5.05 -0.15 -1.27 1.01 0.48 -4.87 120.40 122.30 1ifb s VAL 60 Ca 0.05 0.10 -0.05 0.00 0.00 0.00 0.00 61.98 62.07 1ifb s VAL 60 Cb -0.17 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 1ifb s VAL 60 CO 0.08 -0.28 0.03 0.54 0.00 0.00 0.00 175.10 175.47 1ifb s VAL 61 N 2.30 4.49 -0.11 2.92 0.11 -1.26 0.98 120.40 129.83 1ifb s VAL 61 Ca 0.16 -0.15 -0.16 0.00 -2.93 0.00 0.00 61.98 58.90 1ifb s VAL 61 Cb -0.16 -2.97 0.04 0.00 -1.53 0.00 0.00 36.38 31.76 1ifb s VAL 61 CO 0.14 0.52 0.40 0.72 -3.33 0.00 0.00 175.10 173.55 1ifb s PHE 62 N -0.05 -0.39 -0.16 1.54 -0.71 0.33 -5.00 117.98 113.53 1ifb s PHE 62 Ca 0.05 0.87 -0.04 0.00 -1.04 0.00 0.00 56.93 56.77 1ifb s PHE 62 Cb -0.12 0.16 -0.03 0.00 -1.21 0.00 0.00 43.02 41.82 1ifb s PHE 62 CO 0.02 -0.30 -0.03 -1.21 -1.34 0.00 0.00 175.22 172.36 1ifb s GLU 63 N -0.32 3.66 -0.06 1.99 2.02 -1.26 -0.63 118.70 124.10 1ifb s GLU 63 Ca -0.05 -0.52 -0.40 0.00 0.02 0.00 0.00 54.97 54.02 1ifb s GLU 63 Cb -0.03 -2.93 -0.19 0.00 0.10 0.00 0.00 34.13 31.08 1ifb s GLU 63 CO 0.02 0.21 1.27 1.28 0.02 0.00 0.00 175.26 178.06 1ifb n LEU 64 N 3.62 0.82 0.00 1.80 4.77 -0.58 -1.13 117.00 126.30 1ifb n LEU 64 Ca -0.17 1.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.95 1ifb n LEU 64 Cb 0.52 -1.01 0.00 0.00 -2.33 0.00 0.00 43.42 40.60 1ifb n LEU 64 CO 0.33 -1.41 0.00 0.61 -1.33 0.00 0.00 177.39 175.59 1ifb n GLY 65 N 2.32 1.51 3.33 -0.72 0.00 0.18 -4.99 105.19 106.83 1ifb n GLY 65 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.89 1ifb n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ifb s VAL 66 N -3.60 3.18 0.36 1.61 0.11 -0.28 -4.99 120.40 116.79 1ifb s VAL 66 Ca 0.00 -0.58 -0.28 0.00 -2.93 0.00 0.00 61.98 58.18 1ifb s VAL 66 Cb 0.00 -2.40 -0.11 0.00 -1.53 0.00 0.00 36.38 32.34 1ifb s VAL 66 CO 0.00 0.48 1.51 -1.81 -3.33 0.00 0.00 175.10 171.95 1ifb s ASP 67 N 0.96 6.34 0.13 3.54 -0.00 -1.26 -4.62 116.67 121.76 1ifb s ASP 67 Ca -0.01 3.04 0.02 0.00 -0.00 0.00 0.00 52.55 55.60 1ifb s ASP 67 Cb -0.15 -2.66 -0.04 0.00 -0.00 0.00 0.00 42.92 40.07 1ifb s ASP 67 CO -0.00 -0.89 -0.05 0.72 -0.00 0.00 0.00 175.17 174.95 1ifb s PHE 68 N -0.88 1.05 -0.17 4.23 -0.12 0.42 -4.90 117.98 117.62 1ifb s PHE 68 Ca 0.55 -0.93 -0.12 0.00 -0.05 0.00 0.00 56.93 56.38 1ifb s PHE 68 Cb -0.47 -0.59 -0.05 0.00 -0.63 0.00 0.00 43.02 41.28 1ifb s PHE 68 CO 0.60 -0.14 0.23 0.00 -0.05 0.00 0.00 175.22 175.86 1ifb s ALA 69 N -3.60 3.64 -0.00 1.99 0.00 -1.26 -0.45 121.76 122.08 1ifb s ALA 69 Ca 0.17 -0.54 0.04 0.00 0.00 0.00 0.00 51.96 51.63 1ifb s ALA 69 Cb 0.05 -2.30 -0.01 0.00 0.00 0.00 0.00 23.12 20.86 1ifb s ALA 69 CO -0.01 0.15 -0.12 -0.47 0.00 0.00 0.00 175.76 175.31 1ifb s TYR 70 N 0.32 1.09 -0.12 0.00 6.14 0.11 -4.99 117.35 119.89 1ifb s TYR 70 Ca 0.14 -0.22 -0.00 0.00 0.64 0.00 0.00 57.07 57.63 1ifb s TYR 70 Cb -0.12 -0.69 -0.02 0.00 0.42 0.00 0.00 41.96 41.54 1ifb s TYR 70 CO 0.02 -0.01 -0.10 -1.12 0.64 0.00 0.00 175.55 174.97 1ifb s SER 71 N -0.37 4.27 0.87 4.32 0.01 -1.26 0.91 113.70 122.46 1ifb s SER 71 Ca 0.04 -0.22 -0.12 0.00 1.31 0.00 0.00 55.95 56.96 1ifb s SER 71 Cb -0.05 -1.48 0.11 0.00 0.21 0.00 0.00 66.02 64.81 1ifb s SER 71 CO -0.00 0.22 1.11 -0.76 0.41 0.00 0.00 173.24 174.22 1ifb s LEU 72 N 0.05 2.23 -1.20 2.44 2.01 0.72 -4.82 118.68 120.11 1ifb s LEU 72 Ca -0.03 1.17 -0.14 0.00 0.01 0.00 0.00 54.13 55.14 1ifb s LEU 72 Cb -0.14 -3.61 0.16 0.00 0.01 0.00 0.00 46.19 42.61 1ifb s LEU 72 CO 0.04 -2.38 1.43 0.00 1.01 0.00 0.00 176.35 176.44 1ifb s ALA 73 N -3.17 3.94 0.00 4.21 0.00 -1.26 -0.60 121.76 124.88 1ifb s ALA 73 Ca 0.63 -3.31 0.00 0.00 0.00 0.00 0.00 51.96 49.27 1ifb s ALA 73 Cb -0.15 -4.14 0.00 0.00 0.00 0.00 0.00 23.12 18.83 1ifb s ALA 73 CO 0.54 -2.80 0.00 -0.40 0.00 0.00 0.00 175.76 173.10 1ifb n ASP 74 N 5.80 0.00 0.00 0.00 5.75 -1.26 -4.93 116.55 121.91 1ifb n ASP 74 Ca 0.36 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 55.14 1ifb n ASP 74 Cb 0.43 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.52 1ifb n ASP 74 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ifb n GLY 75 N 0.00 0.69 3.67 6.12 0.00 0.23 -5.02 105.19 110.88 1ifb n GLY 75 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1ifb n GLY 75 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ifb s THR 76 N -2.63 2.85 0.05 2.61 -1.32 -1.25 -4.53 115.64 111.41 1ifb s THR 76 Ca 0.00 0.08 -0.14 0.00 -1.21 0.00 0.00 61.69 60.42 1ifb s THR 76 Cb 0.00 -3.05 -0.06 0.00 -1.51 0.00 0.00 72.50 67.88 1ifb s THR 76 CO 0.00 -0.00 0.45 -1.61 -2.21 0.00 0.00 174.62 171.24 1ifb s GLU 77 N 3.69 3.92 0.06 7.08 2.02 -1.26 0.26 118.70 134.46 1ifb s GLU 77 Ca 0.84 0.40 0.01 0.00 0.02 0.00 0.00 54.97 56.24 1ifb s GLU 77 Cb -0.44 -3.12 -0.03 0.00 0.10 0.00 0.00 34.13 30.64 1ifb s GLU 77 CO 0.39 0.62 -0.06 -0.51 0.02 0.00 0.00 175.26 175.72 1ifb s LEU 78 N -1.43 2.40 0.00 1.80 1.43 0.26 -2.17 118.68 120.97 1ifb s LEU 78 Ca 0.29 -0.81 0.02 0.00 -1.03 0.00 0.00 54.13 52.60 1ifb s LEU 78 Cb -0.16 -0.03 -0.01 0.00 0.03 0.00 0.00 46.19 46.03 1ifb s LEU 78 CO 0.16 -0.40 -0.07 -0.89 0.23 0.00 0.00 176.35 175.38 1ifb s THR 79 N -2.78 0.57 -3.19 5.49 2.01 -0.39 -0.71 115.64 116.64 1ifb s THR 79 Ca 0.01 -0.44 0.00 0.00 0.31 0.00 0.00 61.69 61.57 1ifb s THR 79 Cb -0.00 -0.50 0.00 0.00 0.01 0.00 0.00 72.50 72.00 1ifb s THR 79 CO -0.04 0.06 0.00 0.61 -0.69 0.00 0.00 174.62 174.57 1ifb n GLY 80 N 2.65 -0.90 3.33 4.40 0.00 0.40 -2.27 105.19 112.80 1ifb n GLY 80 Ca -0.15 -1.00 -0.22 0.00 0.00 0.00 0.00 46.02 44.66 1ifb n GLY 80 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ifb s THR 81 N -3.00 1.82 -0.13 2.61 -4.23 -1.14 -0.43 115.64 111.14 1ifb s THR 81 Ca 0.00 -1.89 0.02 0.00 -1.18 0.00 0.00 61.69 58.64 1ifb s THR 81 Cb 0.00 -1.82 -0.00 0.00 1.34 0.00 0.00 72.50 72.02 1ifb s THR 81 CO 0.00 -0.29 -0.20 0.26 -0.54 0.00 0.00 174.62 173.85 1ifb s TRP 82 N -1.97 2.68 0.15 3.99 0.52 -1.26 -0.08 118.94 122.98 1ifb s TRP 82 Ca 0.15 -1.03 0.08 0.00 0.02 0.00 0.00 56.10 55.32 1ifb s TRP 82 Cb -0.06 -1.80 -0.04 0.00 -1.15 0.00 0.00 33.47 30.42 1ifb s TRP 82 CO 0.06 -0.43 -0.18 0.95 0.02 0.00 0.00 176.95 177.37 1ifb s THR 83 N 0.55 1.76 -0.20 2.01 -4.23 -0.79 0.50 115.64 115.24 1ifb s THR 83 Ca -0.12 -1.86 -0.10 0.00 -1.18 0.00 0.00 61.69 58.44 1ifb s THR 83 Cb -0.16 -1.78 -0.05 0.00 1.34 0.00 0.00 72.50 71.84 1ifb s THR 83 CO 0.04 -0.29 0.13 -0.04 -0.54 0.00 0.00 174.62 173.92 1ifb s MET 84 N -2.68 4.16 -0.71 3.99 -1.94 -1.26 0.14 119.30 121.00 1ifb s MET 84 Ca 0.14 -0.21 0.03 0.00 -1.71 0.00 0.00 55.69 53.94 1ifb s MET 84 Cb -0.06 -3.41 0.17 0.00 2.01 0.00 0.00 34.83 33.54 1ifb s MET 84 CO 0.06 0.32 0.51 -1.21 -0.01 0.00 0.00 175.02 174.69 1ifb s GLU 85 N 0.30 2.55 2.90 2.03 2.02 0.20 -4.96 118.70 123.74 1ifb s GLU 85 Ca 0.08 -3.22 0.00 0.00 0.02 0.00 0.00 54.97 51.85 1ifb s GLU 85 Cb -0.11 -3.52 0.00 0.00 0.10 0.00 0.00 34.13 30.60 1ifb s GLU 85 CO -0.02 -1.26 0.00 0.41 0.02 0.00 0.00 175.26 174.42 1ifb n GLY 86 N 2.22 0.64 0.00 -1.39 0.00 -1.26 -1.65 105.19 103.74 1ifb n GLY 86 Ca 0.18 0.53 0.09 0.00 0.00 0.00 0.00 46.02 46.81 1ifb n GLY 86 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ifb n ASN 87 N 5.50 0.87 -4.84 1.61 6.94 -1.26 -4.95 115.26 119.12 1ifb n ASN 87 Ca 0.00 -0.93 -0.21 0.00 -0.02 0.00 0.00 54.58 53.41 1ifb n ASN 87 Cb 0.00 1.00 -0.04 0.00 -2.36 0.00 0.00 39.78 38.39 1ifb n ASN 87 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1ifb s LYS 88 N -2.75 2.83 -0.26 -3.83 1.02 -0.66 -4.74 119.74 111.34 1ifb s LYS 88 Ca 0.07 -1.18 -0.04 0.00 0.02 0.00 0.00 55.97 54.84 1ifb s LYS 88 Cb 0.14 -2.53 0.01 0.00 -0.52 0.00 0.00 37.83 34.93 1ifb s LYS 88 CO 0.76 0.24 -0.00 -1.17 -0.92 0.00 0.00 175.35 174.26 1ifb s LEU 89 N -3.93 3.38 -0.25 3.17 2.96 -0.97 0.63 118.68 123.67 1ifb s LEU 89 Ca 0.37 -0.70 -0.04 0.00 -0.22 0.00 0.00 54.13 53.55 1ifb s LEU 89 Cb -0.07 -1.77 0.01 0.00 0.50 0.00 0.00 46.19 44.86 1ifb s LEU 89 CO 0.26 -0.13 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.45 1ifb s VAL 90 N 1.43 3.32 -0.08 1.68 1.01 0.12 -1.25 120.40 126.63 1ifb s VAL 90 Ca 0.02 -0.75 -0.13 0.00 0.00 0.00 0.00 61.98 61.13 1ifb s VAL 90 Cb -0.16 -2.63 -0.05 0.00 0.00 0.00 0.00 36.38 33.54 1ifb s VAL 90 CO -0.01 0.25 0.31 -0.83 0.00 0.00 0.00 175.10 174.82 1ifb s GLY 91 N 1.42 2.32 -0.30 4.51 0.00 0.14 -1.88 107.32 113.53 1ifb s GLY 91 Ca 0.03 -0.39 0.03 0.00 0.00 0.00 0.00 44.72 44.38 1ifb s GLY 91 CO -0.02 0.11 0.01 1.25 0.00 0.00 0.00 173.10 174.45 1ifb s LYS 92 N -0.57 1.51 0.50 2.90 2.47 0.89 -1.39 119.74 126.05 1ifb s LYS 92 Ca 0.19 -1.52 0.05 0.00 -1.56 0.00 0.00 55.97 53.14 1ifb s LYS 92 Cb -0.14 -2.86 0.00 0.00 -1.46 0.00 0.00 37.83 33.36 1ifb s LYS 92 CO 0.08 -0.83 0.26 -0.06 0.16 0.00 0.00 175.35 174.97 1ifb s PHE 93 N 1.13 1.99 -0.23 4.03 0.40 0.47 -2.87 117.98 122.90 1ifb s PHE 93 Ca 0.05 -0.78 -0.12 0.00 -0.60 0.00 0.00 56.93 55.48 1ifb s PHE 93 Cb -0.19 -1.88 0.08 0.00 0.51 0.00 0.00 43.02 41.54 1ifb s PHE 93 CO -0.10 -0.14 0.55 0.15 0.70 0.00 0.00 175.22 176.38 1ifb s LYS 94 N -4.09 0.54 0.49 0.44 1.02 -0.96 -0.61 119.74 116.56 1ifb s LYS 94 Ca 0.31 1.07 -0.24 0.00 0.02 0.00 0.00 55.97 57.13 1ifb s LYS 94 Cb 0.00 0.17 -0.07 0.00 -0.52 0.00 0.00 37.83 37.41 1ifb s LYS 94 CO 0.18 -0.17 1.35 1.03 -0.92 0.00 0.00 175.35 176.83 1ifb s ARG 95 N 1.77 3.49 0.25 1.68 0.52 -0.78 -1.26 118.95 124.62 1ifb s ARG 95 Ca -0.09 2.23 0.25 0.00 -0.52 0.00 0.00 55.73 57.61 1ifb s ARG 95 Cb -0.08 -2.47 0.70 0.00 0.52 0.00 0.00 34.95 33.62 1ifb s ARG 95 CO -0.16 -0.91 1.72 0.28 0.02 0.00 0.00 175.30 176.25 1ifb h VAL 96 N 1.90 0.00 0.00 3.52 2.07 -1.80 -1.30 116.25 120.65 1ifb h VAL 96 Ca -0.51 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 66.43 1ifb h VAL 96 Cb 1.28 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 32.61 1ifb h VAL 96 CO 0.59 0.00 -0.00 -2.24 0.02 0.00 0.00 177.57 175.94 1ifb h ASP 97 N 0.00 0.00 0.93 0.57 -0.00 -1.91 -3.42 116.42 112.59 1ifb h ASP 97 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.03 56.95 1ifb h ASP 97 Cb 0.79 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 40.11 1ifb h ASP 97 CO 0.00 0.01 -1.12 -0.55 -0.00 0.00 0.00 179.24 177.58 1ifb h ASN 98 N -0.01 0.00 -0.07 4.15 7.08 -1.97 -3.48 115.58 121.27 1ifb h ASN 98 Ca 0.00 0.00 -0.03 0.00 -3.08 0.00 0.00 56.30 53.19 1ifb h ASN 98 Cb 0.00 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.23 1ifb h ASN 98 CO 0.00 0.27 -0.03 0.61 -2.08 0.00 0.00 177.43 176.20 1ifb n GLY 99 N 1.27 0.52 3.78 9.14 0.00 -0.49 -5.00 105.19 114.41 1ifb n GLY 99 Ca -0.04 -0.43 -0.37 0.00 0.00 0.00 0.00 46.02 45.19 1ifb n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ifb s LYS 100 N -1.21 4.42 0.20 1.61 1.02 -1.26 -4.70 119.74 119.81 1ifb s LYS 100 Ca 0.00 1.39 -0.17 0.00 0.02 0.00 0.00 55.97 57.20 1ifb s LYS 100 Cb 0.00 -2.67 -0.08 0.00 -0.52 0.00 0.00 37.83 34.56 1ifb s LYS 100 CO 0.00 0.11 0.66 -2.00 -0.92 0.00 0.00 175.35 173.20 1ifb s GLU 101 N -2.28 4.14 -0.08 1.68 2.12 -1.26 -1.86 118.70 121.15 1ifb s GLU 101 Ca 0.54 0.72 0.04 0.00 0.36 0.00 0.00 54.97 56.62 1ifb s GLU 101 Cb -0.19 -2.88 0.00 0.00 0.26 0.00 0.00 34.13 31.32 1ifb s GLU 101 CO 0.25 0.42 -0.21 -1.17 -0.54 0.00 0.00 175.26 174.00 1ifb s LEU 102 N -2.01 1.97 -0.12 2.70 0.20 0.22 -4.57 118.68 117.07 1ifb s LEU 102 Ca 0.41 -0.47 0.02 0.00 0.69 0.00 0.00 54.13 54.78 1ifb s LEU 102 Cb -0.16 -1.22 -0.01 0.00 -0.43 0.00 0.00 46.19 44.37 1ifb s LEU 102 CO 0.20 0.14 -0.18 -0.63 -0.29 0.00 0.00 176.35 175.59 1ifb s ILE 103 N 0.30 2.58 0.08 6.68 -1.09 0.30 -0.40 121.20 129.65 1ifb s ILE 103 Ca -0.14 -0.83 0.09 0.00 -2.23 0.00 0.00 60.65 57.55 1ifb s ILE 103 Cb -0.16 -2.05 -0.03 0.00 -1.58 0.00 0.00 42.46 38.64 1ifb s ILE 103 CO 0.06 0.54 -0.25 0.00 -1.23 0.00 0.00 174.94 174.06 1ifb s ALA 104 N 0.39 2.16 0.00 9.38 0.00 -0.49 -0.31 121.76 132.89 1ifb s ALA 104 Ca -0.14 -1.29 0.00 0.00 0.00 0.00 0.00 51.96 50.53 1ifb s ALA 104 Cb -0.17 -0.40 -0.00 0.00 0.00 0.00 0.00 23.12 22.55 1ifb s ALA 104 CO 0.07 0.49 -0.01 0.54 0.00 0.00 0.00 175.76 176.85 1ifb s VAL 105 N -0.91 0.04 -0.22 0.00 0.11 -0.81 0.26 120.40 118.87 1ifb s VAL 105 Ca 0.11 -0.13 -0.01 0.00 -2.93 0.00 0.00 61.98 59.02 1ifb s VAL 105 Cb -0.10 -0.06 0.06 0.00 -1.53 0.00 0.00 36.38 34.75 1ifb s VAL 105 CO 0.03 -0.06 -0.01 -0.13 -3.33 0.00 0.00 175.10 171.61 1ifb s ARG 106 N -0.19 1.11 0.00 1.54 0.52 -0.38 -2.41 118.95 119.15 1ifb s ARG 106 Ca -0.02 -0.70 0.08 0.00 -0.52 0.00 0.00 55.73 54.57 1ifb s ARG 106 Cb -0.01 -2.34 -0.02 0.00 0.52 0.00 0.00 34.95 33.09 1ifb s ARG 106 CO -0.00 -0.63 -0.26 -1.83 0.02 0.00 0.00 175.30 172.60 1ifb s GLU 107 N 1.63 2.01 -0.40 3.54 -1.05 -0.27 -2.30 118.70 121.87 1ifb s GLU 107 Ca -0.03 -0.99 -0.16 0.00 -0.15 0.00 0.00 54.97 53.64 1ifb s GLU 107 Cb -0.18 -2.03 0.01 0.00 -0.44 0.00 0.00 34.13 31.50 1ifb s GLU 107 CO -0.07 0.54 0.36 -1.50 0.95 0.00 0.00 175.26 175.54 1ifb s ILE 108 N -0.68 5.18 -0.78 1.83 2.07 -1.26 0.99 121.20 128.56 1ifb s ILE 108 Ca 0.11 -0.37 -0.11 0.00 -1.41 0.00 0.00 60.65 58.87 1ifb s ILE 108 Cb -0.10 -3.93 0.21 0.00 0.13 0.00 0.00 42.46 38.76 1ifb s ILE 108 CO 0.00 -0.29 0.69 -0.44 -1.91 0.00 0.00 174.94 172.99 1ifb s SER 109 N 1.74 6.36 0.08 4.50 0.01 0.40 -4.92 113.70 121.87 1ifb s SER 109 Ca 0.09 -2.77 0.00 0.00 1.31 0.00 0.00 55.95 54.58 1ifb s SER 109 Cb -0.18 -2.11 0.00 0.00 0.21 0.00 0.00 66.02 63.94 1ifb s SER 109 CO 0.12 -0.51 0.00 0.61 0.41 0.00 0.00 173.24 173.87 1ifb n GLY 110 N 3.79 1.39 0.07 3.44 0.00 -1.26 -0.86 105.19 111.76 1ifb n GLY 110 Ca 0.13 0.26 0.03 0.00 0.00 0.00 0.00 46.02 46.43 1ifb n GLY 110 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ifb n ASN 111 N 5.29 2.16 -4.45 1.61 6.94 -1.26 -5.00 115.26 120.54 1ifb n ASN 111 Ca 0.00 -2.25 -0.33 0.00 -0.02 0.00 0.00 54.58 51.98 1ifb n ASN 111 Cb 0.00 -0.12 -0.13 0.00 -2.36 0.00 0.00 39.78 37.17 1ifb n ASN 111 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 1ifb s GLU 112 N -1.44 2.72 -0.26 -3.83 0.41 -0.04 -2.95 118.70 113.31 1ifb s GLU 112 Ca 0.09 -0.69 -0.04 0.00 -0.41 0.00 0.00 54.97 53.92 1ifb s GLU 112 Cb 0.07 -2.44 0.02 0.00 -1.78 0.00 0.00 34.13 30.00 1ifb s GLU 112 CO 0.02 0.53 -0.02 -1.17 -0.49 0.00 0.00 175.26 174.13 1ifb s LEU 113 N -0.47 3.34 -0.22 1.80 2.96 -1.01 0.15 118.68 125.23 1ifb s LEU 113 Ca 0.06 -0.74 -0.08 0.00 -0.22 0.00 0.00 54.13 53.15 1ifb s LEU 113 Cb -0.12 -1.74 -0.04 0.00 0.50 0.00 0.00 46.19 44.79 1ifb s LEU 113 CO 0.02 -0.13 0.08 -0.63 -1.32 0.00 0.00 176.35 174.37 1ifb s ILE 114 N 1.40 4.69 -0.21 6.68 -1.09 0.28 -1.83 121.20 131.11 1ifb s ILE 114 Ca 0.02 -0.06 -0.03 0.00 -2.23 0.00 0.00 60.65 58.35 1ifb s ILE 114 Cb -0.16 -3.15 -0.01 0.00 -1.58 0.00 0.00 42.46 37.56 1ifb s ILE 114 CO -0.02 0.39 -0.06 -1.10 -1.23 0.00 0.00 174.94 172.92 1ifb s GLN 115 N 0.96 3.33 -0.11 2.79 -0.21 -0.91 -1.12 119.66 124.40 1ifb s GLN 115 Ca 0.04 -0.65 0.02 0.00 0.02 0.00 0.00 55.36 54.79 1ifb s GLN 115 Cb -0.14 -2.94 -0.01 0.00 1.00 0.00 0.00 33.01 30.92 1ifb s GLN 115 CO 0.03 -0.18 -0.16 0.99 -2.12 0.00 0.00 175.29 173.85 1ifb s THR 116 N 1.41 2.79 -0.07 -0.19 2.01 -1.01 -0.10 115.64 120.48 1ifb s THR 116 Ca 0.05 -0.77 0.04 0.00 0.31 0.00 0.00 61.69 61.33 1ifb s THR 116 Cb -0.14 -2.14 -0.00 0.00 0.01 0.00 0.00 72.50 70.23 1ifb s THR 116 CO -0.04 0.54 -0.21 -0.31 -0.69 0.00 0.00 174.62 173.91 1ifb s TYR 117 N 0.17 2.21 -0.10 4.92 2.02 0.13 -1.93 117.35 124.77 1ifb s TYR 117 Ca -0.09 -0.78 -0.00 0.00 -0.37 0.00 0.00 57.07 55.83 1ifb s TYR 117 Cb -0.15 -1.48 0.02 0.00 -0.40 0.00 0.00 41.96 39.95 1ifb s TYR 117 CO 0.06 -0.29 -0.08 0.99 -1.57 0.00 0.00 175.55 174.66 1ifb s THR 118 N 0.18 0.98 -0.14 -0.71 2.01 0.57 -0.51 115.64 118.03 1ifb s THR 118 Ca -0.11 -0.28 -0.04 0.00 0.31 0.00 0.00 61.69 61.57 1ifb s THR 118 Cb -0.15 -0.99 0.07 0.00 0.01 0.00 0.00 72.50 71.43 1ifb s THR 118 CO 0.05 0.35 0.21 -0.47 -0.69 0.00 0.00 174.62 174.08 1ifb s TYR 119 N 1.54 -0.29 -1.36 4.92 5.04 -0.28 -0.54 117.35 126.38 1ifb s TYR 119 Ca 0.01 0.60 -0.06 0.00 -2.44 0.00 0.00 57.07 55.19 1ifb s TYR 119 Cb -0.13 -0.22 0.03 0.00 0.35 0.00 0.00 41.96 41.98 1ifb s TYR 119 CO -0.06 -0.41 0.97 0.39 -1.34 0.00 0.00 175.55 175.11 1ifb n GLU 120 N 5.33 -6.29 -1.30 4.97 -0.58 -1.26 -1.21 120.64 120.30 1ifb n GLU 120 Ca -0.05 0.72 -0.09 0.00 -0.42 0.00 0.00 57.16 57.32 1ifb n GLU 120 Cb 0.50 -5.60 -0.04 0.00 -0.57 0.00 0.00 31.44 25.73 1ifb n GLU 120 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ifb n GLY 121 N -1.63 1.03 3.19 0.62 0.00 -1.26 -5.01 105.19 102.12 1ifb n GLY 121 Ca -0.12 -0.62 -0.33 0.00 0.00 0.00 0.00 46.02 44.95 1ifb n GLY 121 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ifb s VAL 122 N -2.34 2.18 -0.05 1.61 1.01 -0.35 -5.10 120.40 117.35 1ifb s VAL 122 Ca 0.00 -0.94 0.05 0.00 0.00 0.00 0.00 61.98 61.09 1ifb s VAL 122 Cb 0.00 -1.88 -0.02 0.00 0.00 0.00 0.00 36.38 34.48 1ifb s VAL 122 CO 0.00 0.54 -0.18 -0.70 0.00 0.00 0.00 175.10 174.76 1ifb s GLU 123 N 0.83 2.50 0.01 2.72 2.12 -1.26 -1.13 118.70 124.50 1ifb s GLU 123 Ca -0.06 -0.77 0.04 0.00 0.36 0.00 0.00 54.97 54.54 1ifb s GLU 123 Cb -0.15 -2.30 -0.01 0.00 0.26 0.00 0.00 34.13 31.92 1ifb s GLU 123 CO -0.02 0.54 -0.13 0.00 -0.54 0.00 0.00 175.26 175.12 1ifb s ALA 124 N -0.54 1.05 -0.11 6.30 0.00 0.34 -4.76 121.76 124.04 1ifb s ALA 124 Ca 0.07 -0.66 0.02 0.00 0.00 0.00 0.00 51.96 51.40 1ifb s ALA 124 Cb -0.11 -0.21 -0.01 0.00 0.00 0.00 0.00 23.12 22.79 1ifb s ALA 124 CO 0.01 0.22 -0.20 0.15 0.00 0.00 0.00 175.76 175.94 1ifb s LYS 125 N -0.70 3.18 -0.21 0.00 1.02 0.25 0.17 119.74 123.45 1ifb s LYS 125 Ca 0.03 -0.80 0.00 0.00 0.02 0.00 0.00 55.97 55.22 1ifb s LYS 125 Cb -0.06 -2.43 0.02 0.00 -0.52 0.00 0.00 37.83 34.84 1ifb s LYS 125 CO 0.00 0.20 -0.15 1.03 -0.92 0.00 0.00 175.35 175.51 1ifb s ARG 126 N 0.34 2.90 -0.23 1.68 0.52 0.86 0.36 118.95 125.37 1ifb s ARG 126 Ca -0.16 -0.90 -0.09 0.00 -0.52 0.00 0.00 55.73 54.06 1ifb s ARG 126 Cb -0.17 -2.72 -0.04 0.00 0.52 0.00 0.00 34.95 32.53 1ifb s ARG 126 CO 0.08 -0.29 0.13 0.42 0.02 0.00 0.00 175.30 175.65 1ifb s ILE 127 N 1.29 5.06 0.03 1.52 1.09 0.43 -2.14 121.20 128.48 1ifb s ILE 127 Ca 0.02 0.07 0.02 0.00 -1.10 0.00 0.00 60.65 59.67 1ifb s ILE 127 Cb -0.15 -3.35 -0.04 0.00 -1.06 0.00 0.00 42.46 37.87 1ifb s ILE 127 CO -0.10 0.36 0.03 -0.36 -0.10 0.00 0.00 174.94 174.78 1ifb s PHE 128 N 1.05 3.13 -0.13 3.97 0.08 -0.76 0.33 117.98 125.64 1ifb s PHE 128 Ca 0.06 0.09 -0.01 0.00 0.12 0.00 0.00 56.93 57.19 1ifb s PHE 128 Cb -0.14 -1.65 -0.02 0.00 -0.57 0.00 0.00 43.02 40.64 1ifb s PHE 128 CO 0.04 0.49 -0.08 0.15 -0.10 0.00 0.00 175.22 175.72 1ifb s LYS 129 N -1.87 3.35 0.11 0.44 -0.14 0.06 -2.40 119.74 119.29 1ifb s LYS 129 Ca 0.23 -0.59 -0.31 0.00 -1.36 0.00 0.00 55.97 53.94 1ifb s LYS 129 Cb -0.12 -2.73 -0.10 0.00 -1.68 0.00 0.00 37.83 33.20 1ifb s LYS 129 CO 0.14 0.32 1.86 0.21 -0.76 0.00 0.00 175.35 177.12 1ifb s LYS 130 N 0.10 4.13 0.00 1.68 2.47 -1.15 -1.10 119.74 125.87 1ifb s LYS 130 Ca -0.03 2.61 0.29 0.00 -1.56 0.00 0.00 55.97 57.27 1ifb s LYS 130 Cb -0.14 -3.68 1.21 0.00 -1.46 0.00 0.00 37.83 33.76 1ifb s LYS 130 CO 0.04 -0.86 1.84 -1.91 0.16 0.00 0.00 175.35 174.61