#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ifb n PHE 2 N 0.00 -3.51 -2.24 0.00 3.72 -1.26 -5.03 117.46 109.14 3ifb n PHE 2 Ca 0.00 1.83 0.00 0.00 -0.05 0.00 0.00 57.45 59.23 3ifb n PHE 2 Cb 0.00 -3.19 0.00 0.00 -0.94 0.00 0.00 39.48 35.35 3ifb n PHE 2 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3ifb n ASP 3 N -4.33 -8.97 -3.61 4.37 9.92 -1.26 -5.08 116.55 107.60 3ifb n ASP 3 Ca -0.03 1.66 -0.01 0.00 -0.53 0.00 0.00 54.79 55.88 3ifb n ASP 3 Cb 0.67 -5.05 -0.01 0.00 -0.64 0.00 0.00 41.12 36.09 3ifb n ASP 3 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 3ifb s SER 4 N -0.55 -0.05 0.16 -2.24 0.01 -0.78 -5.01 113.70 105.25 3ifb s SER 4 Ca 0.00 -0.03 -0.20 0.00 1.31 0.00 0.00 55.95 57.03 3ifb s SER 4 Cb 0.00 0.07 -0.08 0.00 0.21 0.00 0.00 66.02 66.22 3ifb s SER 4 CO 0.00 -0.12 0.67 -0.89 0.41 0.00 0.00 173.24 173.32 3ifb s THR 5 N -2.19 4.60 0.30 1.44 2.01 -1.26 -1.96 115.64 118.58 3ifb s THR 5 Ca 0.12 1.31 0.10 0.00 0.31 0.00 0.00 61.69 63.54 3ifb s THR 5 Cb 0.02 -3.92 -0.05 0.00 0.01 0.00 0.00 72.50 68.56 3ifb s THR 5 CO -0.04 0.38 -0.06 0.26 -0.69 0.00 0.00 174.62 174.47 3ifb s TRP 6 N -1.31 2.50 -0.11 4.92 0.52 0.21 0.11 118.94 125.78 3ifb s TRP 6 Ca 0.37 -0.35 -0.05 0.00 0.02 0.00 0.00 56.10 56.09 3ifb s TRP 6 Cb -0.19 -1.25 0.05 0.00 -1.15 0.00 0.00 33.47 30.94 3ifb s TRP 6 CO 0.21 0.60 0.25 0.21 0.02 0.00 0.00 176.95 178.24 3ifb s LYS 7 N -3.64 0.19 0.33 4.98 2.36 0.36 -2.07 119.74 122.25 3ifb s LYS 7 Ca 0.32 0.59 -0.29 0.00 -2.55 0.00 0.00 55.97 54.04 3ifb s LYS 7 Cb -0.03 -0.10 -0.11 0.00 -1.05 0.00 0.00 37.83 36.54 3ifb s LYS 7 CO 0.18 -0.20 1.54 0.08 1.55 0.00 0.00 175.35 178.50 3ifb s VAL 8 N 1.61 2.06 -0.13 4.02 1.01 0.29 -1.01 120.40 128.26 3ifb s VAL 8 Ca -0.06 0.06 0.02 0.00 0.00 0.00 0.00 61.98 61.99 3ifb s VAL 8 Cb -0.11 -3.04 -0.09 0.00 0.00 0.00 0.00 36.38 33.15 3ifb s VAL 8 CO -0.08 0.01 -0.10 -0.67 0.00 0.00 0.00 175.10 174.25 3ifb n ASP 9 N 1.41 2.96 -3.63 3.32 2.03 -0.90 -4.80 116.55 116.93 3ifb n ASP 9 Ca 0.05 -0.06 -0.06 0.00 0.52 0.00 0.00 54.79 55.23 3ifb n ASP 9 Cb 0.38 -0.13 -0.02 0.00 -0.72 0.00 0.00 41.12 40.63 3ifb n ASP 9 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3ifb s ARG 10 N -2.26 1.08 0.07 -0.67 1.70 -1.09 -5.05 118.95 112.74 3ifb s ARG 10 Ca -0.16 -0.52 -0.27 0.00 -0.47 0.00 0.00 55.73 54.31 3ifb s ARG 10 Cb 0.04 0.42 0.08 0.00 -0.57 0.00 0.00 34.95 34.93 3ifb s ARG 10 CO 0.31 -0.49 0.86 -1.12 -1.08 0.00 0.00 175.30 173.78 3ifb s SER 11 N -2.74 -0.34 0.69 -2.89 0.01 -1.26 -0.82 113.70 106.34 3ifb s SER 11 Ca 0.08 -0.14 -0.06 0.00 1.31 0.00 0.00 55.95 57.15 3ifb s SER 11 Cb -0.01 0.46 0.06 0.00 0.21 0.00 0.00 66.02 66.74 3ifb s SER 11 CO -0.03 -0.78 0.99 -1.83 0.41 0.00 0.00 173.24 172.00 3ifb s GLU 12 N -3.29 2.19 -0.70 12.44 -1.05 -0.43 -4.59 118.70 123.26 3ifb s GLU 12 Ca 0.07 -0.36 -0.07 0.00 -0.15 0.00 0.00 54.97 54.46 3ifb s GLU 12 Cb -0.01 -2.21 0.07 0.00 -0.44 0.00 0.00 34.13 31.54 3ifb s GLU 12 CO -0.06 -1.21 0.17 0.09 0.95 0.00 0.00 175.26 175.21 3ifb n ASN 13 N -2.86 -0.43 0.10 0.83 4.13 -1.26 -4.48 115.26 111.28 3ifb n ASN 13 Ca 0.08 -0.49 -0.03 0.00 1.68 0.00 0.00 54.58 55.82 3ifb n ASN 13 Cb 0.60 -0.62 0.15 0.00 -1.54 0.00 0.00 39.78 38.38 3ifb n ASN 13 CO 0.00 0.00 0.00 0.22 0.28 0.00 0.00 177.26 177.76 3ifb h TYR 14 N -0.27 0.21 0.00 3.10 3.20 -1.94 0.16 116.97 121.43 3ifb h TYR 14 Ca -0.24 -0.08 -0.01 0.00 3.14 0.00 0.00 58.73 61.54 3ifb h TYR 14 Cb 0.54 -0.04 -0.00 0.00 1.54 0.00 0.00 36.73 38.77 3ifb h TYR 14 CO 0.26 0.70 -0.06 0.38 -1.64 0.00 0.00 178.16 177.80 3ifb h ASP 15 N 0.13 0.00 0.07 -2.11 2.03 -1.98 -2.24 116.42 112.32 3ifb h ASP 15 Ca -0.00 -0.89 0.02 0.00 -0.73 0.00 0.00 57.03 55.43 3ifb h ASP 15 Cb 1.05 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 39.51 3ifb h ASP 15 CO 0.08 0.99 -0.32 0.50 -1.03 0.00 0.00 179.24 179.46 3ifb h LYS 16 N -1.00 -0.50 -0.15 4.15 1.63 -1.94 0.11 116.57 118.87 3ifb h LYS 16 Ca -0.02 0.03 0.03 0.00 -0.85 0.00 0.00 60.65 59.84 3ifb h LYS 16 Cb 0.94 0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 32.66 3ifb h LYS 16 CO -0.01 -0.33 -0.01 0.35 -3.45 0.00 0.00 179.45 176.00 3ifb h PHE 17 N -0.52 -0.02 -0.02 1.91 3.57 -0.81 -1.18 116.94 119.87 3ifb h PHE 17 Ca 0.04 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 3ifb h PHE 17 Cb 0.57 0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.34 3ifb h PHE 17 CO -0.31 -0.03 0.01 0.52 -2.23 0.00 0.00 178.31 176.27 3ifb h MET 18 N 0.04 0.03 -0.97 1.11 2.86 -1.17 -0.92 114.93 115.91 3ifb h MET 18 Ca 0.07 -0.00 0.24 0.00 -2.06 0.00 0.00 59.70 57.95 3ifb h MET 18 Cb 0.09 -0.01 -0.13 0.00 0.06 0.00 0.00 31.60 31.62 3ifb h MET 18 CO -0.13 0.12 0.52 1.49 1.06 0.00 0.00 176.91 179.98 3ifb h GLU 19 N -0.07 0.48 -0.72 1.72 4.81 -0.60 0.41 114.58 120.61 3ifb h GLU 19 Ca 0.01 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.24 3ifb h GLU 19 Cb 0.10 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.33 3ifb h GLU 19 CO -0.00 0.32 0.48 -0.22 -0.73 0.00 0.00 179.01 178.86 3ifb h LYS 20 N 0.50 0.84 -0.56 1.92 1.63 0.09 -1.97 116.57 119.03 3ifb h LYS 20 Ca 0.62 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 60.37 3ifb h LYS 20 Cb 1.21 -0.19 0.00 0.00 -0.60 0.00 0.00 32.23 32.65 3ifb h LYS 20 CO -0.50 0.56 0.00 -1.33 -3.45 0.00 0.00 179.45 174.72 3ifb n MET 21 N -4.46 1.25 -1.63 1.90 2.81 0.14 -4.81 117.12 112.33 3ifb n MET 21 Ca 0.09 -0.26 -0.07 0.00 -1.81 0.00 0.00 57.70 55.65 3ifb n MET 21 Cb 0.13 -1.33 -0.02 0.00 -0.71 0.00 0.00 33.22 31.29 3ifb n MET 21 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3ifb n GLY 22 N 0.30 0.55 3.51 3.03 0.00 -0.74 -4.85 105.19 106.98 3ifb n GLY 22 Ca 0.02 -0.66 -0.42 0.00 0.00 0.00 0.00 46.02 44.96 3ifb n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ifb s VAL 23 N -2.31 4.24 0.84 1.61 1.01 -1.12 -4.88 120.40 119.79 3ifb s VAL 23 Ca 0.00 -0.87 -0.11 0.00 0.00 0.00 0.00 61.98 61.00 3ifb s VAL 23 Cb 0.00 -4.90 0.10 0.00 0.00 0.00 0.00 36.38 31.58 3ifb s VAL 23 CO 0.00 -1.71 1.10 0.21 0.00 0.00 0.00 175.10 174.70 3ifb s ASN 24 N 4.19 3.87 0.27 3.32 3.84 -1.26 -3.32 114.94 125.86 3ifb s ASN 24 Ca 0.37 1.80 0.07 0.00 0.21 0.00 0.00 52.86 55.30 3ifb s ASN 24 Cb -0.05 -2.44 0.79 0.00 -0.55 0.00 0.00 41.25 39.00 3ifb s ASN 24 CO -0.04 -2.43 1.29 0.00 -2.79 0.00 0.00 177.10 173.12 3ifb n ILE 25 N -3.78 -0.35 0.09 -5.21 0.13 -1.26 0.11 119.36 109.09 3ifb n ILE 25 Ca 0.09 1.77 -0.23 0.00 -1.10 0.00 0.00 62.75 63.28 3ifb n ILE 25 Cb 0.53 -2.67 -0.15 0.00 -0.84 0.00 0.00 39.64 36.51 3ifb n ILE 25 CO 0.00 0.00 0.00 0.58 2.80 0.00 0.00 176.55 179.93 3ifb h VAL 26 N 0.00 1.27 -0.87 9.51 2.07 -1.98 -1.01 116.25 125.23 3ifb h VAL 26 Ca 0.57 -2.58 0.23 0.00 0.82 0.00 0.00 66.70 65.73 3ifb h VAL 26 Cb 1.30 3.01 -0.15 0.00 -1.52 0.00 0.00 31.29 33.93 3ifb h VAL 26 CO -0.73 0.77 0.12 0.11 0.02 0.00 0.00 177.57 177.86 3ifb h LYS 27 N -0.08 0.12 -0.32 1.57 6.56 0.53 0.63 116.57 125.58 3ifb h LYS 27 Ca -0.24 -0.01 -0.02 0.00 -1.06 0.00 0.00 60.65 59.32 3ifb h LYS 27 Cb 1.94 -0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 33.56 3ifb h LYS 27 CO 0.20 0.08 0.12 -0.09 -2.06 0.00 0.00 179.45 177.70 3ifb h ARG 28 N 0.12 0.48 -0.50 3.15 9.65 -0.46 0.42 114.38 127.25 3ifb h ARG 28 Ca 0.53 -0.09 -0.01 0.00 -1.10 0.00 0.00 59.98 59.30 3ifb h ARG 28 Cb 1.04 -0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 29.52 3ifb h ARG 28 CO -0.73 0.49 0.27 0.87 2.80 0.00 0.00 179.97 183.67 3ifb h LYS 29 N 0.37 0.70 -0.40 0.20 1.79 0.14 0.24 116.57 119.61 3ifb h LYS 29 Ca 0.11 -0.09 0.03 0.00 -2.18 0.00 0.00 60.65 58.52 3ifb h LYS 29 Cb 0.19 -0.13 -0.03 0.00 -1.58 0.00 0.00 32.23 30.68 3ifb h LYS 29 CO -0.01 0.55 0.20 -0.07 -1.08 0.00 0.00 179.45 179.05 3ifb h LEU 30 N 0.66 0.31 -0.52 2.94 4.07 -0.36 0.17 115.31 122.57 3ifb h LEU 30 Ca 0.17 0.02 0.10 0.00 0.08 0.00 0.00 57.88 58.25 3ifb h LEU 30 Cb 0.06 -0.04 -0.11 0.00 1.08 0.00 0.00 40.66 41.66 3ifb h LEU 30 CO -0.03 0.22 -0.25 0.00 -1.08 0.00 0.00 178.44 177.31 3ifb h ALA 31 N 1.20 0.11 0.07 1.53 0.00 0.29 -0.06 119.26 122.40 3ifb h ALA 31 Ca 0.17 0.17 -0.24 0.00 0.00 0.00 0.00 54.91 55.01 3ifb h ALA 31 Cb 0.07 0.60 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 3ifb h ALA 31 CO -0.11 -0.58 -1.09 0.00 0.00 0.00 0.00 179.25 177.47 3ifb h ALA 32 N 1.19 0.26 0.27 0.00 0.00 -0.58 -1.63 119.26 118.76 3ifb h ALA 32 Ca 0.24 -0.82 -0.01 0.00 0.00 0.00 0.00 54.91 54.31 3ifb h ALA 32 Cb 0.50 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3ifb h ALA 32 CO -0.60 0.96 -0.13 0.45 0.00 0.00 0.00 179.25 179.93 3ifb h HIS 33 N 0.10 -0.33 0.12 0.00 -0.00 0.51 -3.26 115.15 112.29 3ifb h HIS 33 Ca -0.09 -0.01 -0.22 0.00 -0.00 0.00 0.00 60.37 60.05 3ifb h HIS 33 Cb 1.78 0.11 0.02 0.00 -0.00 0.00 0.00 27.41 29.33 3ifb h HIS 33 CO 0.05 -0.13 -0.95 0.22 -0.00 0.00 0.00 177.93 177.12 3ifb h ASP 34 N -0.47 0.62 0.00 2.45 1.82 -1.18 -3.50 116.42 116.17 3ifb h ASP 34 Ca -0.04 -0.88 0.00 0.00 -0.39 0.00 0.00 57.03 55.72 3ifb h ASP 34 Cb 0.35 -0.20 0.00 0.00 0.68 0.00 0.00 39.33 40.16 3ifb h ASP 34 CO 0.06 1.45 0.00 0.59 -1.61 0.00 0.00 179.24 179.73 3ifb n ASN 35 N -4.02 0.00 -3.59 2.28 4.13 -0.61 -4.84 115.26 108.61 3ifb n ASN 35 Ca -0.13 0.00 -0.16 0.00 1.68 0.00 0.00 54.58 55.96 3ifb n ASN 35 Cb 0.86 0.00 -0.07 0.00 -1.54 0.00 0.00 39.78 39.04 3ifb n ASN 35 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3ifb s LEU 36 N 0.00 -0.35 0.01 3.41 1.02 -1.26 -0.82 118.68 120.69 3ifb s LEU 36 Ca 0.00 0.70 -0.28 0.00 0.02 0.00 0.00 54.13 54.56 3ifb s LEU 36 Cb 0.00 2.25 0.10 0.00 0.02 0.00 0.00 46.19 48.56 3ifb s LEU 36 CO 0.00 -0.52 1.25 -1.59 0.02 0.00 0.00 176.35 175.51 3ifb s LYS 37 N -0.97 0.52 -0.29 1.70 -2.85 -0.81 -0.54 119.74 116.49 3ifb s LYS 37 Ca -0.10 -0.32 -0.23 0.00 -1.00 0.00 0.00 55.97 54.32 3ifb s LYS 37 Cb -0.02 0.15 0.16 0.00 -2.06 0.00 0.00 37.83 36.07 3ifb s LYS 37 CO 0.08 -0.24 1.22 -1.17 0.10 0.00 0.00 175.35 175.33 3ifb s LEU 38 N -3.49 -0.26 -0.16 2.77 0.20 -0.88 -0.12 118.68 116.74 3ifb s LEU 38 Ca 0.24 0.48 -0.05 0.00 0.69 0.00 0.00 54.13 55.48 3ifb s LEU 38 Cb 0.01 1.47 -0.03 0.00 -0.43 0.00 0.00 46.19 47.21 3ifb s LEU 38 CO -0.01 -0.08 0.00 -0.89 -0.29 0.00 0.00 176.35 175.08 3ifb s THR 39 N 0.35 4.25 -0.02 3.68 2.01 -0.78 0.66 115.64 125.78 3ifb s THR 39 Ca 0.03 -0.23 -0.00 0.00 0.31 0.00 0.00 61.69 61.79 3ifb s THR 39 Cb -0.05 -2.88 -0.04 0.00 0.01 0.00 0.00 72.50 69.55 3ifb s THR 39 CO -0.11 0.48 0.04 -0.51 -0.69 0.00 0.00 174.62 173.83 3ifb s ILE 40 N 0.34 4.50 -0.26 1.82 1.10 -0.83 -1.61 121.20 126.26 3ifb s ILE 40 Ca -0.01 -0.42 -0.02 0.00 -0.51 0.00 0.00 60.65 59.69 3ifb s ILE 40 Cb -0.13 -3.01 0.15 0.00 0.15 0.00 0.00 42.46 39.62 3ifb s ILE 40 CO 0.02 0.42 0.44 -0.89 -2.11 0.00 0.00 174.94 172.82 3ifb s THR 41 N -1.10 -0.72 0.66 4.00 2.01 -0.74 -1.87 115.64 117.89 3ifb s THR 41 Ca 0.20 -0.06 -0.10 0.00 0.31 0.00 0.00 61.69 62.03 3ifb s THR 41 Cb -0.12 -0.87 -0.00 0.00 0.01 0.00 0.00 72.50 71.51 3ifb s THR 41 CO 0.10 -0.10 1.04 -1.10 -0.69 0.00 0.00 174.62 173.88 3ifb s GLN 42 N 2.63 3.10 -0.29 4.92 -1.52 -1.26 -1.87 119.66 125.38 3ifb s GLN 42 Ca 0.15 0.48 -0.16 0.00 -1.95 0.00 0.00 55.36 53.88 3ifb s GLN 42 Cb -0.15 -2.08 0.14 0.00 -0.22 0.00 0.00 33.01 30.70 3ifb s GLN 42 CO -0.18 -0.83 0.94 -1.83 -0.25 0.00 0.00 175.29 173.14 3ifb s GLU 43 N -5.24 0.41 -1.13 2.91 4.04 -0.70 -4.87 118.70 114.12 3ifb s GLU 43 Ca 0.56 0.75 -0.26 0.00 0.04 0.00 0.00 54.97 56.06 3ifb s GLU 43 Cb -0.11 0.16 0.03 0.00 0.02 0.00 0.00 34.13 34.24 3ifb s GLU 43 CO 0.51 -0.09 0.68 0.41 -1.84 0.00 0.00 175.26 174.93 3ifb n GLY 44 N 4.02 -0.95 2.61 -3.83 0.00 -1.26 0.10 105.19 105.87 3ifb n GLY 44 Ca -0.17 0.40 -0.12 0.00 0.00 0.00 0.00 46.02 46.14 3ifb n GLY 44 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3ifb n ASN 45 N -2.30 -3.25 -4.51 1.61 5.15 -1.26 -4.94 115.26 105.76 3ifb n ASN 45 Ca -0.15 0.16 -0.24 0.00 -0.60 0.00 0.00 54.58 53.75 3ifb n ASN 45 Cb 0.59 -2.79 -0.10 0.00 -0.53 0.00 0.00 39.78 36.96 3ifb n ASN 45 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 3ifb s LYS 46 N -5.19 1.79 -0.41 1.20 2.47 0.28 -4.68 119.74 115.21 3ifb s LYS 46 Ca 0.07 -1.77 0.02 0.00 -1.56 0.00 0.00 55.97 52.73 3ifb s LYS 46 Cb -0.04 -1.81 0.12 0.00 -1.46 0.00 0.00 37.83 34.65 3ifb s LYS 46 CO 0.08 0.28 0.20 -0.06 0.16 0.00 0.00 175.35 176.01 3ifb s PHE 47 N -2.51 2.16 0.07 4.03 0.40 0.04 -1.72 117.98 120.45 3ifb s PHE 47 Ca 0.31 -2.39 -0.17 0.00 -0.60 0.00 0.00 56.93 54.07 3ifb s PHE 47 Cb -0.03 -2.01 -0.06 0.00 0.51 0.00 0.00 43.02 41.42 3ifb s PHE 47 CO 0.16 -0.81 0.53 -0.08 0.70 0.00 0.00 175.22 175.72 3ifb s THR 48 N 0.60 4.83 0.09 0.64 -1.32 -0.78 -2.24 115.64 117.45 3ifb s THR 48 Ca 0.15 1.05 -0.20 0.00 -1.21 0.00 0.00 61.69 61.48 3ifb s THR 48 Cb -0.23 -3.82 0.05 0.00 -1.51 0.00 0.00 72.50 66.99 3ifb s THR 48 CO -0.05 0.50 0.49 0.54 -2.21 0.00 0.00 174.62 173.89 3ifb s VAL 49 N -1.17 0.04 0.08 5.08 0.11 -0.43 -1.79 120.40 122.31 3ifb s VAL 49 Ca 0.29 -0.31 0.09 0.00 -2.93 0.00 0.00 61.98 59.13 3ifb s VAL 49 Cb -0.18 -1.03 -0.03 0.00 -1.53 0.00 0.00 36.38 33.61 3ifb s VAL 49 CO 0.18 -0.17 -0.23 -0.54 -3.33 0.00 0.00 175.10 171.00 3ifb s LYS 50 N -3.02 1.41 -0.03 1.54 1.02 -0.63 0.19 119.74 120.22 3ifb s LYS 50 Ca -0.02 -1.13 -0.02 0.00 0.02 0.00 0.00 55.97 54.82 3ifb s LYS 50 Cb -0.00 -1.67 0.01 0.00 -0.52 0.00 0.00 37.83 35.65 3ifb s LYS 50 CO -0.06 0.41 0.06 -2.00 -0.92 0.00 0.00 175.35 172.84 3ifb s GLU 51 N -1.60 0.06 0.03 1.68 2.12 0.12 -1.86 118.70 119.25 3ifb s GLU 51 Ca 0.10 0.12 -0.00 0.00 0.36 0.00 0.00 54.97 55.54 3ifb s GLU 51 Cb -0.10 -0.02 -0.03 0.00 0.26 0.00 0.00 34.13 34.25 3ifb s GLU 51 CO 0.03 -0.04 -0.03 0.45 -0.54 0.00 0.00 175.26 175.14 3ifb s SER 52 N 0.24 0.37 -0.41 -1.70 0.15 0.84 0.15 113.70 113.34 3ifb s SER 52 Ca -0.02 -0.74 0.06 0.00 0.70 0.00 0.00 55.95 55.96 3ifb s SER 52 Cb -0.03 0.15 0.32 0.00 -1.71 0.00 0.00 66.02 64.75 3ifb s SER 52 CO -0.01 -0.44 1.23 -0.24 1.20 0.00 0.00 173.24 174.98 3ifb n SER 53 N 0.89 -1.93 0.00 5.45 2.88 -1.26 -1.93 113.62 117.73 3ifb n SER 53 Ca -0.19 -2.85 0.00 0.00 -1.33 0.00 0.00 58.87 54.49 3ifb n SER 53 Cb 0.58 1.45 0.00 0.00 -0.75 0.00 0.00 64.21 65.49 3ifb n SER 53 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3ifb n ALA 54 N 0.01 0.00 0.27 -1.46 0.00 -0.00 -4.53 120.51 114.80 3ifb n ALA 54 Ca -0.02 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.25 3ifb n ALA 54 Cb 0.75 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 20.10 3ifb n ALA 54 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 3ifb h PHE 55 N 0.00 -1.35 -1.21 0.00 0.04 -1.91 -3.47 116.94 109.05 3ifb h PHE 55 Ca 0.00 0.01 0.19 0.00 2.80 0.00 0.00 57.97 60.97 3ifb h PHE 55 Cb 0.00 0.53 -0.27 0.00 2.20 0.00 0.00 35.95 38.41 3ifb h PHE 55 CO 0.00 -0.65 0.82 0.50 -0.60 0.00 0.00 178.31 178.38 3ifb s ARG 56 N -5.89 0.22 0.61 1.51 6.06 -1.26 -4.81 118.95 115.39 3ifb s ARG 56 Ca -0.18 0.08 -0.19 0.00 -2.50 0.00 0.00 55.73 52.94 3ifb s ARG 56 Cb 0.05 0.10 -0.03 0.00 0.06 0.00 0.00 34.95 35.13 3ifb s ARG 56 CO 0.61 -0.06 1.32 0.27 -2.50 0.00 0.00 175.30 174.94 3ifb n ASN 57 N 0.80 2.34 -4.12 -2.12 6.94 -1.26 -4.26 115.26 113.57 3ifb n ASN 57 Ca -0.05 0.89 -0.34 0.00 -0.02 0.00 0.00 54.58 55.07 3ifb n ASN 57 Cb 0.58 -1.57 -0.14 0.00 -2.36 0.00 0.00 39.78 36.29 3ifb n ASN 57 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3ifb s ILE 58 N -1.34 2.65 0.45 1.53 1.01 0.39 -4.93 121.20 120.95 3ifb s ILE 58 Ca 0.78 -1.60 -0.24 0.00 0.00 0.00 0.00 60.65 59.59 3ifb s ILE 58 Cb -0.39 -2.59 -0.08 0.00 0.01 0.00 0.00 42.46 39.41 3ifb s ILE 58 CO 0.44 -0.16 1.28 -1.83 0.00 0.00 0.00 174.94 174.67 3ifb s GLU 59 N 1.16 3.75 0.08 2.79 4.04 -1.26 0.11 118.70 129.38 3ifb s GLU 59 Ca -0.04 2.08 -0.09 0.00 0.04 0.00 0.00 54.97 56.95 3ifb s GLU 59 Cb -0.20 -2.57 0.00 0.00 0.02 0.00 0.00 34.13 31.38 3ifb s GLU 59 CO -0.03 -0.64 0.21 0.08 -1.84 0.00 0.00 175.26 173.03 3ifb s VAL 60 N -1.34 0.13 -0.12 1.83 1.01 0.13 -4.85 120.40 117.19 3ifb s VAL 60 Ca 0.61 -1.10 -0.30 0.00 0.00 0.00 0.00 61.98 61.20 3ifb s VAL 60 Cb -0.36 -1.28 0.10 0.00 0.00 0.00 0.00 36.38 34.84 3ifb s VAL 60 CO 0.45 -0.61 0.84 0.54 0.00 0.00 0.00 175.10 176.33 3ifb s VAL 61 N -3.70 0.00 0.18 2.92 0.11 -1.26 -1.32 120.40 117.33 3ifb s VAL 61 Ca 0.04 0.00 -0.20 0.00 -2.93 0.00 0.00 61.98 58.89 3ifb s VAL 61 Cb 0.04 -1.00 0.04 0.00 -1.53 0.00 0.00 36.38 33.93 3ifb s VAL 61 CO -0.10 0.00 0.55 0.72 -3.33 0.00 0.00 175.10 172.94 3ifb s PHE 62 N -0.98 -0.29 0.00 1.54 -0.12 -0.95 -4.88 117.98 112.30 3ifb s PHE 62 Ca -0.06 -0.01 0.00 0.00 -0.05 0.00 0.00 56.93 56.81 3ifb s PHE 62 Cb -0.01 0.46 0.00 0.00 -0.63 0.00 0.00 43.02 42.84 3ifb s PHE 62 CO 0.05 -0.89 0.00 -1.91 -0.05 0.00 0.00 175.22 172.42 3ifb n GLU 63 N -0.35 0.00 -2.72 1.99 2.13 -1.26 -0.78 120.64 119.65 3ifb n GLU 63 Ca -0.13 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.61 3ifb n GLU 63 Cb 0.63 -0.23 0.09 0.00 0.27 0.00 0.00 31.44 32.20 3ifb n GLU 63 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 3ifb n LEU 64 N -2.33 -2.17 0.00 4.31 -0.00 -1.26 -4.56 117.00 110.98 3ifb n LEU 64 Ca 0.00 -3.23 0.00 0.00 -0.00 0.00 0.00 56.01 52.78 3ifb n LEU 64 Cb 0.00 0.92 0.00 0.00 -0.00 0.00 0.00 43.42 44.34 3ifb n LEU 64 CO 0.00 1.96 0.00 0.61 -0.00 0.00 0.00 177.39 179.96 3ifb n GLY 65 N 0.60 0.79 3.13 -3.96 0.00 0.36 -4.90 105.19 101.22 3ifb n GLY 65 Ca 0.04 -0.76 -0.18 0.00 0.00 0.00 0.00 46.02 45.12 3ifb n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ifb s VAL 66 N -1.65 0.96 0.09 1.61 1.01 -1.10 -4.94 120.40 116.37 3ifb s VAL 66 Ca 0.00 -1.11 0.01 0.00 0.00 0.00 0.00 61.98 60.88 3ifb s VAL 66 Cb 0.00 -0.92 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 3ifb s VAL 66 CO 0.00 -0.17 0.21 -0.89 0.00 0.00 0.00 175.10 174.25 3ifb s THR 67 N -1.11 5.23 0.15 3.92 2.01 -1.26 -2.58 115.64 121.99 3ifb s THR 67 Ca -0.02 -0.56 -0.25 0.00 0.31 0.00 0.00 61.69 61.17 3ifb s THR 67 Cb -0.09 -3.60 0.07 0.00 0.01 0.00 0.00 72.50 68.89 3ifb s THR 67 CO 0.01 0.06 1.00 0.72 -0.69 0.00 0.00 174.62 175.72 3ifb s PHE 68 N -1.58 -0.08 0.07 4.92 -0.12 -0.15 -4.96 117.98 116.08 3ifb s PHE 68 Ca 0.34 -0.23 -0.14 0.00 -0.05 0.00 0.00 56.93 56.85 3ifb s PHE 68 Cb -0.12 0.65 -0.06 0.00 -0.63 0.00 0.00 43.02 42.85 3ifb s PHE 68 CO 0.27 -0.82 0.46 1.21 -0.05 0.00 0.00 175.22 176.30 3ifb s ASN 69 N -3.03 6.80 -0.35 1.98 3.84 -1.26 -0.89 114.94 122.03 3ifb s ASN 69 Ca 0.14 0.98 0.03 0.00 0.21 0.00 0.00 52.86 54.23 3ifb s ASN 69 Cb -0.01 -2.25 0.10 0.00 -0.55 0.00 0.00 41.25 38.54 3ifb s ASN 69 CO 0.03 0.22 0.07 -0.47 -2.79 0.00 0.00 177.10 174.16 3ifb s TYR 70 N -1.27 3.47 -0.30 0.43 6.14 0.42 -4.93 117.35 121.32 3ifb s TYR 70 Ca 0.31 -2.87 -0.20 0.00 0.64 0.00 0.00 57.07 54.95 3ifb s TYR 70 Cb -0.16 -2.77 -0.01 0.00 0.42 0.00 0.00 41.96 39.44 3ifb s TYR 70 CO 0.17 -0.93 0.61 1.21 0.64 0.00 0.00 175.55 177.25 3ifb s ASN 71 N 0.89 6.49 1.00 4.32 3.84 -1.26 -2.17 114.94 128.06 3ifb s ASN 71 Ca 0.11 0.45 -0.12 0.00 0.21 0.00 0.00 52.86 53.51 3ifb s ASN 71 Cb -0.19 -2.32 0.19 0.00 -0.55 0.00 0.00 41.25 38.38 3ifb s ASN 71 CO -0.09 -0.45 1.10 -0.76 -2.79 0.00 0.00 177.10 174.11 3ifb s LEU 72 N 2.56 1.56 -0.00 3.21 1.43 -0.55 -4.92 118.68 121.95 3ifb s LEU 72 Ca 0.25 1.14 -0.15 0.00 -1.03 0.00 0.00 54.13 54.33 3ifb s LEU 72 Cb -0.15 -3.31 -0.34 0.00 0.03 0.00 0.00 46.19 42.42 3ifb s LEU 72 CO 0.11 -3.15 0.89 0.00 0.23 0.00 0.00 176.35 174.43 3ifb h ALA 73 N -1.91 -0.07 -0.76 4.21 0.00 -1.85 -3.36 119.26 115.52 3ifb h ALA 73 Ca -0.55 -0.93 0.05 0.00 0.00 0.00 0.00 54.91 53.48 3ifb h ALA 73 Cb 1.33 0.25 -0.05 0.00 0.00 0.00 0.00 17.79 19.33 3ifb h ALA 73 CO 0.58 0.75 0.46 -0.44 0.00 0.00 0.00 179.25 180.60 3ifb h ASP 74 N 0.08 0.73 0.00 0.00 3.32 -1.94 -3.44 116.42 115.18 3ifb h ASP 74 Ca -0.27 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.79 3ifb h ASP 74 Cb 2.10 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 41.50 3ifb h ASP 74 CO 0.23 0.49 0.00 0.61 -1.72 0.00 0.00 179.24 178.85 3ifb n GLY 75 N -1.31 -0.64 3.50 2.75 0.00 -1.26 -5.18 105.19 103.05 3ifb n GLY 75 Ca 0.09 0.12 -0.10 0.00 0.00 0.00 0.00 46.02 46.13 3ifb n GLY 75 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ifb s THR 76 N 0.00 0.02 -0.19 2.61 2.01 -1.26 -5.05 115.64 113.78 3ifb s THR 76 Ca 0.00 -0.49 -0.15 0.00 0.31 0.00 0.00 61.69 61.36 3ifb s THR 76 Cb 0.00 -1.36 0.05 0.00 0.01 0.00 0.00 72.50 71.21 3ifb s THR 76 CO 0.00 -0.09 0.50 -1.83 -0.69 0.00 0.00 174.62 172.51 3ifb s GLU 77 N -3.82 0.55 0.05 4.92 -1.05 -1.26 -1.49 118.70 116.59 3ifb s GLU 77 Ca 0.05 0.78 0.02 0.00 -0.15 0.00 0.00 54.97 55.67 3ifb s GLU 77 Cb -0.01 0.19 -0.03 0.00 -0.44 0.00 0.00 34.13 33.84 3ifb s GLU 77 CO -0.07 -0.10 -0.07 -0.48 0.95 0.00 0.00 175.26 175.49 3ifb s LEU 78 N 0.70 2.31 0.18 1.83 -0.00 -0.92 -2.90 118.68 119.88 3ifb s LEU 78 Ca -0.04 -0.64 0.08 0.00 -0.00 0.00 0.00 54.13 53.54 3ifb s LEU 78 Cb -0.05 -0.10 -0.04 0.00 -0.00 0.00 0.00 46.19 46.00 3ifb s LEU 78 CO -0.05 -0.28 -0.07 -0.13 -0.00 0.00 0.00 176.35 175.82 3ifb s ARG 79 N -2.06 2.15 0.24 1.48 0.52 -0.93 -0.44 118.95 119.91 3ifb s ARG 79 Ca -0.06 -1.23 -0.20 0.00 -0.52 0.00 0.00 55.73 53.72 3ifb s ARG 79 Cb -0.07 -2.21 0.07 0.00 0.52 0.00 0.00 34.95 33.27 3ifb s ARG 79 CO -0.01 0.44 0.97 0.20 0.02 0.00 0.00 175.30 176.92 3ifb s GLY 80 N -2.86 0.20 0.32 -3.53 0.00 -0.07 -0.00 107.32 101.37 3ifb s GLY 80 Ca 0.25 -0.47 0.09 0.00 0.00 0.00 0.00 44.72 44.60 3ifb s GLY 80 CO 0.16 1.78 0.03 -0.51 0.00 0.00 0.00 173.10 174.56 3ifb s THR 81 N -2.16 2.93 0.02 0.90 -4.23 0.11 -0.97 115.64 112.23 3ifb s THR 81 Ca 0.20 -1.92 -0.00 0.00 -1.18 0.00 0.00 61.69 58.79 3ifb s THR 81 Cb -0.03 -2.82 -0.02 0.00 1.34 0.00 0.00 72.50 70.97 3ifb s THR 81 CO 0.07 -0.25 -0.02 0.26 -0.54 0.00 0.00 174.62 174.14 3ifb s TRP 82 N -2.44 0.23 -0.28 3.99 0.52 -1.07 -2.20 118.94 117.69 3ifb s TRP 82 Ca 0.34 -0.47 -0.01 0.00 0.02 0.00 0.00 56.10 55.99 3ifb s TRP 82 Cb -0.03 -0.17 0.13 0.00 -1.15 0.00 0.00 33.47 32.26 3ifb s TRP 82 CO 0.20 -0.18 0.28 0.45 0.02 0.00 0.00 176.95 177.72 3ifb s SER 83 N -1.35 1.71 0.39 2.95 0.15 -0.63 -0.48 113.70 116.44 3ifb s SER 83 Ca -0.15 -0.73 -0.27 0.00 0.70 0.00 0.00 55.95 55.50 3ifb s SER 83 Cb -0.09 0.47 -0.10 0.00 -1.71 0.00 0.00 66.02 64.59 3ifb s SER 83 CO -0.01 -0.39 1.46 -0.22 1.20 0.00 0.00 173.24 175.29 3ifb s LEU 84 N 2.35 4.28 0.23 3.45 0.20 -1.26 -2.39 118.68 125.54 3ifb s LEU 84 Ca 0.09 3.00 -0.21 0.00 0.69 0.00 0.00 54.13 57.71 3ifb s LEU 84 Cb -0.14 -3.73 0.04 0.00 -0.43 0.00 0.00 46.19 41.92 3ifb s LEU 84 CO -0.31 -0.93 0.63 -1.83 -0.29 0.00 0.00 176.35 173.62 3ifb s GLU 85 N -2.17 1.55 0.19 1.98 -1.05 -1.26 -4.92 118.70 113.02 3ifb s GLU 85 Ca 0.54 -0.82 -0.15 0.00 -0.15 0.00 0.00 54.97 54.39 3ifb s GLU 85 Cb -0.45 0.58 0.18 0.00 -0.44 0.00 0.00 34.13 34.00 3ifb s GLU 85 CO 0.61 -0.69 1.64 0.78 0.95 0.00 0.00 175.26 178.55 3ifb h GLY 86 N 2.05 0.37 -5.03 -3.83 0.00 -2.04 0.00 103.07 94.60 3ifb h GLY 86 Ca -0.26 0.19 -0.61 0.00 0.00 0.00 0.00 47.33 46.65 3ifb h GLY 86 CO 0.31 -0.21 2.46 0.70 0.00 0.00 0.00 176.54 179.80 3ifb n ASN 87 N -5.39 7.84 -0.96 0.19 3.02 -1.26 -4.97 115.26 113.73 3ifb n ASN 87 Ca 0.06 -2.81 0.00 0.00 -0.03 0.00 0.00 54.58 51.79 3ifb n ASN 87 Cb 0.29 -1.44 0.00 0.00 -0.61 0.00 0.00 39.78 38.02 3ifb n ASN 87 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3ifb n LYS 88 N 2.54 -2.69 -1.62 3.52 5.02 -0.01 -4.65 118.16 120.27 3ifb n LYS 88 Ca 0.66 1.95 -0.50 0.00 -2.02 0.00 0.00 58.31 58.40 3ifb n LYS 88 Cb 0.36 -2.15 -0.05 0.00 -0.02 0.00 0.00 35.03 33.16 3ifb n LYS 88 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3ifb n LEU 89 N -0.13 2.22 -4.62 -0.35 4.32 -0.59 -4.46 117.00 113.39 3ifb n LEU 89 Ca 0.00 1.10 -0.38 0.00 -0.02 0.00 0.00 56.01 56.72 3ifb n LEU 89 Cb 0.00 -1.28 -0.10 0.00 -1.62 0.00 0.00 43.42 40.42 3ifb n LEU 89 CO 0.00 -0.74 -0.14 -0.51 -1.22 0.00 0.00 177.39 174.78 3ifb s ILE 90 N 0.76 5.31 0.37 -0.08 2.07 -1.00 -2.82 121.20 125.81 3ifb s ILE 90 Ca 0.83 0.23 0.08 0.00 -1.41 0.00 0.00 60.65 60.38 3ifb s ILE 90 Cb -0.85 -3.54 -0.07 0.00 0.13 0.00 0.00 42.46 38.13 3ifb s ILE 90 CO 0.44 0.28 -0.02 -0.83 -1.91 0.00 0.00 174.94 172.89 3ifb s GLY 91 N 1.45 2.30 -0.26 1.50 0.00 0.43 -1.60 107.32 111.13 3ifb s GLY 91 Ca 0.08 -2.15 -0.10 0.00 0.00 0.00 0.00 44.72 42.55 3ifb s GLY 91 CO 0.08 -2.03 0.59 1.25 0.00 0.00 0.00 173.10 172.99 3ifb s LYS 92 N -3.68 0.53 0.40 2.90 2.36 -0.93 -2.11 119.74 119.21 3ifb s LYS 92 Ca 0.34 1.27 0.04 0.00 -2.55 0.00 0.00 55.97 55.07 3ifb s LYS 92 Cb 0.05 0.54 -0.03 0.00 -1.05 0.00 0.00 37.83 37.34 3ifb s LYS 92 CO 0.18 -0.20 0.14 -0.06 1.55 0.00 0.00 175.35 176.96 3ifb s PHE 93 N 2.47 1.78 -0.28 4.03 0.40 0.13 0.10 117.98 126.61 3ifb s PHE 93 Ca -0.06 -1.30 -0.19 0.00 -0.60 0.00 0.00 56.93 54.77 3ifb s PHE 93 Cb -0.10 -1.13 0.09 0.00 0.51 0.00 0.00 43.02 42.38 3ifb s PHE 93 CO -0.17 -0.33 0.75 -1.59 0.70 0.00 0.00 175.22 174.58 3ifb s LYS 94 N -3.70 0.70 -0.00 0.44 -2.85 1.00 -0.95 119.74 114.38 3ifb s LYS 94 Ca 0.25 1.06 -0.33 0.00 -1.00 0.00 0.00 55.97 55.95 3ifb s LYS 94 Cb 0.03 0.23 -0.11 0.00 -2.06 0.00 0.00 37.83 35.91 3ifb s LYS 94 CO 0.15 -0.12 1.88 0.54 0.10 0.00 0.00 175.35 177.90 3ifb n ARG 95 N 3.60 2.45 0.00 1.78 5.12 0.65 -2.20 116.66 128.08 3ifb n ARG 95 Ca -0.17 0.90 0.15 0.00 -1.93 0.00 0.00 57.85 56.79 3ifb n ARG 95 Cb 0.57 -2.77 0.78 0.00 -1.16 0.00 0.00 32.46 29.88 3ifb n ARG 95 CO 0.00 0.00 0.00 -2.37 -1.93 0.00 0.00 177.63 173.33 3ifb n THR 96 N 5.05 0.00 0.00 0.55 5.66 -1.14 -2.00 114.28 122.39 3ifb n THR 96 Ca 0.21 -0.05 0.00 0.00 -3.05 0.00 0.00 64.05 61.16 3ifb n THR 96 Cb 0.34 -0.26 0.00 0.00 -1.55 0.00 0.00 70.33 68.85 3ifb n THR 96 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 3ifb n ASP 97 N -0.87 0.00 -0.04 1.09 2.03 -1.26 -4.50 116.55 113.00 3ifb n ASP 97 Ca 0.19 0.00 -0.00 0.00 0.52 0.00 0.00 54.79 55.50 3ifb n ASP 97 Cb 0.21 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.61 3ifb n ASP 97 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 3ifb n ASN 98 N -0.11 -0.07 -1.29 1.67 2.85 -1.26 -4.83 115.26 112.22 3ifb n ASN 98 Ca 0.00 0.16 0.00 0.00 -0.11 0.00 0.00 54.58 54.63 3ifb n ASN 98 Cb 0.00 -0.04 0.00 0.00 1.24 0.00 0.00 39.78 40.98 3ifb n ASN 98 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3ifb n GLY 99 N -1.04 0.92 3.49 8.20 0.00 -0.85 -5.08 105.19 110.82 3ifb n GLY 99 Ca 0.01 -0.36 -0.11 0.00 0.00 0.00 0.00 46.02 45.57 3ifb n GLY 99 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3ifb s ASN 100 N -2.86 -0.45 0.39 1.61 2.47 -1.19 -5.02 114.94 109.90 3ifb s ASN 100 Ca 0.00 0.10 0.08 0.00 0.42 0.00 0.00 52.86 53.46 3ifb s ASN 100 Cb 0.00 0.46 -0.03 0.00 -1.45 0.00 0.00 41.25 40.22 3ifb s ASN 100 CO 0.00 -0.70 0.27 -1.83 -3.72 0.00 0.00 177.10 171.12 3ifb s GLU 101 N -2.96 2.44 -0.09 0.43 -1.05 -1.26 -0.25 118.70 115.96 3ifb s GLU 101 Ca 0.02 -1.60 -0.03 0.00 -0.15 0.00 0.00 54.97 53.21 3ifb s GLU 101 Cb -0.01 -2.24 0.04 0.00 -0.44 0.00 0.00 34.13 31.48 3ifb s GLU 101 CO -0.08 -0.09 0.07 -1.17 0.95 0.00 0.00 175.26 174.95 3ifb s LEU 102 N -4.00 0.23 0.09 1.83 2.96 -0.12 -4.50 118.68 115.17 3ifb s LEU 102 Ca 0.44 -0.21 -0.20 0.00 -0.22 0.00 0.00 54.13 53.94 3ifb s LEU 102 Cb -0.01 -0.19 -0.07 0.00 0.50 0.00 0.00 46.19 46.42 3ifb s LEU 102 CO 0.25 -0.29 0.60 0.20 -1.32 0.00 0.00 176.35 175.79 3ifb s ASN 103 N 2.15 7.10 0.03 3.68 0.01 -0.97 0.20 114.94 127.15 3ifb s ASN 103 Ca 0.04 1.31 -0.03 0.00 -0.71 0.00 0.00 52.86 53.47 3ifb s ASN 103 Cb -0.14 -2.38 -0.02 0.00 0.41 0.00 0.00 41.25 39.13 3ifb s ASN 103 CO -0.06 0.25 0.04 0.42 -1.51 0.00 0.00 177.10 176.25 3ifb s THR 104 N -1.14 0.14 0.04 1.60 -4.23 -0.90 -0.96 115.64 110.19 3ifb s THR 104 Ca 0.31 -1.12 0.02 0.00 -1.18 0.00 0.00 61.69 59.72 3ifb s THR 104 Cb -0.20 -0.77 -0.02 0.00 1.34 0.00 0.00 72.50 72.85 3ifb s THR 104 CO 0.20 -0.62 -0.08 -0.69 -0.54 0.00 0.00 174.62 172.89 3ifb s VAL 105 N -2.37 0.58 -0.01 2.29 1.01 -0.59 -0.43 120.40 120.88 3ifb s VAL 105 Ca -0.07 -1.02 0.00 0.00 0.00 0.00 0.00 61.98 60.89 3ifb s VAL 105 Cb -0.03 -0.63 0.02 0.00 0.00 0.00 0.00 36.38 35.74 3ifb s VAL 105 CO -0.04 -0.32 0.00 -0.13 0.00 0.00 0.00 175.10 174.61 3ifb s ARG 106 N -1.45 0.14 -0.26 2.72 0.52 -1.13 -1.74 118.95 117.76 3ifb s ARG 106 Ca -0.08 0.04 -0.26 0.00 -0.52 0.00 0.00 55.73 54.92 3ifb s ARG 106 Cb -0.09 -0.27 0.10 0.00 0.52 0.00 0.00 34.95 35.21 3ifb s ARG 106 CO 0.01 -0.07 0.91 -2.00 0.02 0.00 0.00 175.30 174.17 3ifb s GLU 107 N 0.56 0.65 -0.11 3.54 2.56 -0.96 -1.54 118.70 123.40 3ifb s GLU 107 Ca -0.05 0.68 -0.30 0.00 0.00 0.00 0.00 54.97 55.30 3ifb s GLU 107 Cb -0.08 0.32 -0.01 0.00 2.00 0.00 0.00 34.13 36.36 3ifb s GLU 107 CO -0.01 -0.10 1.07 -1.50 -0.56 0.00 0.00 175.26 174.16 3ifb s ILE 108 N 0.10 4.62 -0.42 -3.70 1.10 -1.26 -0.28 121.20 121.36 3ifb s ILE 108 Ca 0.01 1.91 -0.14 0.00 -0.51 0.00 0.00 60.65 61.93 3ifb s ILE 108 Cb -0.04 -4.23 0.04 0.00 0.15 0.00 0.00 42.46 38.38 3ifb s ILE 108 CO -0.02 -0.03 0.30 -0.51 -2.11 0.00 0.00 174.94 172.57 3ifb s ILE 109 N 2.27 4.98 0.00 2.00 -1.16 0.39 -4.85 121.20 124.83 3ifb s ILE 109 Ca 0.50 -0.89 0.00 0.00 -0.51 0.00 0.00 60.65 59.75 3ifb s ILE 109 Cb -0.20 -3.85 0.00 0.00 0.61 0.00 0.00 42.46 39.03 3ifb s ILE 109 CO 0.17 -0.38 0.00 0.61 -2.81 0.00 0.00 174.94 172.53 3ifb n GLY 110 N 5.11 2.23 0.85 1.50 0.00 -1.26 0.22 105.19 113.84 3ifb n GLY 110 Ca -0.11 0.35 0.08 0.00 0.00 0.00 0.00 46.02 46.34 3ifb n GLY 110 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ifb n ASP 111 N 10.22 3.77 -4.43 1.61 5.75 -1.26 -3.38 116.55 128.83 3ifb n ASP 111 Ca 0.00 -2.93 -0.23 0.00 -0.01 0.00 0.00 54.79 51.62 3ifb n ASP 111 Cb 0.00 -0.52 -0.10 0.00 -1.03 0.00 0.00 41.12 39.47 3ifb n ASP 111 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3ifb s GLU 112 N -2.67 1.56 -0.19 0.11 8.01 0.13 -4.35 118.70 121.30 3ifb s GLU 112 Ca 0.40 -1.67 -0.03 0.00 0.01 0.00 0.00 54.97 53.68 3ifb s GLU 112 Cb 0.32 -1.62 -0.01 0.00 -4.31 0.00 0.00 34.13 28.51 3ifb s GLU 112 CO 0.09 0.31 -0.07 -1.17 0.01 0.00 0.00 175.26 174.43 3ifb s LEU 113 N -3.29 2.88 0.49 1.80 0.20 -0.99 0.15 118.68 119.92 3ifb s LEU 113 Ca 0.26 -0.34 0.02 0.00 0.69 0.00 0.00 54.13 54.75 3ifb s LEU 113 Cb -0.05 -1.71 0.01 0.00 -0.43 0.00 0.00 46.19 44.02 3ifb s LEU 113 CO 0.12 0.05 0.70 0.54 -0.29 0.00 0.00 176.35 177.47 3ifb s VAL 114 N 1.03 3.35 -0.04 1.68 0.11 0.62 -0.75 120.40 126.39 3ifb s VAL 114 Ca 0.00 -0.63 -0.12 0.00 -2.93 0.00 0.00 61.98 58.30 3ifb s VAL 114 Cb -0.15 -3.23 0.02 0.00 -1.53 0.00 0.00 36.38 31.49 3ifb s VAL 114 CO -0.00 -0.15 0.28 -1.58 -3.33 0.00 0.00 175.10 170.32 3ifb s GLN 115 N -4.61 0.54 -0.29 1.54 0.74 -0.64 -2.26 119.66 114.67 3ifb s GLN 115 Ca 0.53 -0.02 -0.02 0.00 0.05 0.00 0.00 55.36 55.90 3ifb s GLN 115 Cb -0.10 0.24 0.09 0.00 1.10 0.00 0.00 33.01 34.34 3ifb s GLN 115 CO 0.37 -0.13 0.10 0.95 -0.55 0.00 0.00 175.29 176.03 3ifb s THR 116 N -0.84 0.57 0.32 -0.34 -4.23 -0.71 -0.99 115.64 109.42 3ifb s THR 116 Ca -0.09 -1.09 0.02 0.00 -1.18 0.00 0.00 61.69 59.34 3ifb s THR 116 Cb -0.05 -1.38 -0.03 0.00 1.34 0.00 0.00 72.50 72.38 3ifb s THR 116 CO 0.03 -0.61 0.50 -0.31 -0.54 0.00 0.00 174.62 173.68 3ifb s TYR 117 N 1.78 3.49 -0.26 3.99 2.02 0.18 -1.54 117.35 127.01 3ifb s TYR 117 Ca 0.08 0.26 -0.02 0.00 -0.37 0.00 0.00 57.07 57.01 3ifb s TYR 117 Cb -0.17 -1.81 0.12 0.00 -0.40 0.00 0.00 41.96 39.70 3ifb s TYR 117 CO -0.25 0.21 0.28 0.08 -1.57 0.00 0.00 175.55 174.30 3ifb s VAL 118 N -2.22 -0.41 -0.35 0.71 1.01 -0.13 0.23 120.40 119.23 3ifb s VAL 118 Ca 0.38 -0.31 -0.03 0.00 0.00 0.00 0.00 61.98 62.03 3ifb s VAL 118 Cb -0.09 -0.86 0.07 0.00 0.00 0.00 0.00 36.38 35.50 3ifb s VAL 118 CO 0.34 -0.33 0.10 -0.31 0.00 0.00 0.00 175.10 174.90 3ifb s TYR 119 N 2.38 3.40 -0.46 5.22 1.51 -0.90 -2.29 117.35 126.21 3ifb s TYR 119 Ca 0.09 -2.03 0.00 0.00 -1.01 0.00 0.00 57.07 54.12 3ifb s TYR 119 Cb -0.15 -2.61 0.00 0.00 -0.11 0.00 0.00 41.96 39.09 3ifb s TYR 119 CO -0.24 -0.86 0.00 0.39 -1.11 0.00 0.00 175.55 173.73 3ifb n GLU 120 N 4.64 -1.33 0.00 -0.62 1.02 -1.26 -2.14 120.64 120.95 3ifb n GLU 120 Ca -0.08 0.28 0.00 0.00 -0.02 0.00 0.00 57.16 57.34 3ifb n GLU 120 Cb 0.43 -4.14 0.00 0.00 -0.02 0.00 0.00 31.44 27.71 3ifb n GLU 120 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ifb n GLY 121 N -0.02 0.22 3.64 0.62 0.00 -1.26 -5.10 105.19 103.29 3ifb n GLY 121 Ca -0.04 0.18 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 3ifb n GLY 121 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ifb s VAL 122 N 0.00 4.55 -0.35 1.61 1.01 -0.91 -4.97 120.40 121.35 3ifb s VAL 122 Ca 0.00 1.78 -0.29 0.00 0.00 0.00 0.00 61.98 63.47 3ifb s VAL 122 Cb 0.00 -4.39 0.02 0.00 0.00 0.00 0.00 36.38 32.01 3ifb s VAL 122 CO 0.00 -0.42 1.15 -1.61 0.00 0.00 0.00 175.10 174.23 3ifb s GLU 123 N 3.54 3.95 0.38 2.72 2.02 -1.26 -2.12 118.70 127.93 3ifb s GLU 123 Ca 0.45 1.02 0.08 0.00 0.02 0.00 0.00 54.97 56.53 3ifb s GLU 123 Cb -0.13 -3.81 -0.02 0.00 0.10 0.00 0.00 34.13 30.27 3ifb s GLU 123 CO 0.13 -1.06 0.35 0.00 0.02 0.00 0.00 175.26 174.70 3ifb s ALA 124 N 4.03 3.98 -0.29 5.21 0.00 0.13 -4.92 121.76 129.90 3ifb s ALA 124 Ca 0.49 -1.75 -0.15 0.00 0.00 0.00 0.00 51.96 50.54 3ifb s ALA 124 Cb -0.12 -1.13 0.14 0.00 0.00 0.00 0.00 23.12 22.01 3ifb s ALA 124 CO 0.21 -0.11 0.94 0.21 0.00 0.00 0.00 175.76 177.01 3ifb s LYS 125 N -4.07 0.39 0.34 0.00 2.20 -1.26 -0.65 119.74 116.69 3ifb s LYS 125 Ca 0.45 0.77 0.08 0.00 -0.36 0.00 0.00 55.97 56.91 3ifb s LYS 125 Cb -0.05 0.22 -0.03 0.00 -1.51 0.00 0.00 37.83 36.46 3ifb s LYS 125 CO 0.27 -0.10 0.25 1.03 -0.36 0.00 0.00 175.35 176.44 3ifb s ARG 126 N 1.75 2.60 -0.04 4.03 3.00 -0.16 -1.32 118.95 128.81 3ifb s ARG 126 Ca -0.07 -1.40 0.01 0.00 0.00 0.00 0.00 55.73 54.27 3ifb s ARG 126 Cb -0.05 -2.37 0.02 0.00 0.00 0.00 0.00 34.95 32.55 3ifb s ARG 126 CO -0.16 0.08 -0.05 0.42 0.00 0.00 0.00 175.30 175.59 3ifb s ILE 127 N -2.36 0.51 0.33 1.52 1.01 -0.00 -1.63 121.20 120.58 3ifb s ILE 127 Ca 0.40 -0.13 0.10 0.00 0.00 0.00 0.00 60.65 61.02 3ifb s ILE 127 Cb -0.04 -0.53 -0.06 0.00 0.01 0.00 0.00 42.46 41.84 3ifb s ILE 127 CO 0.25 0.21 -0.10 -0.36 0.00 0.00 0.00 174.94 174.94 3ifb s PHE 128 N 0.77 2.40 0.06 3.97 0.40 0.07 -2.11 117.98 123.54 3ifb s PHE 128 Ca -0.10 -0.45 0.01 0.00 -0.60 0.00 0.00 56.93 55.78 3ifb s PHE 128 Cb -0.13 -1.31 -0.03 0.00 0.51 0.00 0.00 43.02 42.05 3ifb s PHE 128 CO 0.00 0.60 -0.05 0.21 0.70 0.00 0.00 175.22 176.68 3ifb s LYS 129 N -3.60 0.62 -0.91 0.44 2.36 -0.18 -2.34 119.74 116.13 3ifb s LYS 129 Ca 0.32 -1.06 -0.24 0.00 -2.55 0.00 0.00 55.97 52.43 3ifb s LYS 129 Cb 0.01 -0.04 -0.04 0.00 -1.05 0.00 0.00 37.83 36.70 3ifb s LYS 129 CO 0.17 -0.04 1.92 0.21 1.55 0.00 0.00 175.35 179.16 3ifb s LYS 130 N -3.02 2.61 0.00 4.03 2.47 -1.26 -0.49 119.74 124.08 3ifb s LYS 130 Ca 0.01 -0.34 0.00 0.00 -1.56 0.00 0.00 55.97 54.08 3ifb s LYS 130 Cb 0.01 -5.08 0.00 0.00 -1.46 0.00 0.00 37.83 31.29 3ifb s LYS 130 CO -0.05 -3.32 0.00 -3.47 0.16 0.00 0.00 175.35 168.68