#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 -1.85 -3.46 0.00 3.01 -1.26 -4.91 117.46 108.99 3ifb n PHE 2 Ca 0.00 0.55 -0.10 0.00 1.01 0.00 0.00 57.45 58.90 3ifb n PHE 2 Cb 0.00 -3.16 -0.09 0.00 -0.01 0.00 0.00 39.48 36.22 3ifb n PHE 2 CO 0.00 0.00 0.00 0.16 1.01 0.00 0.00 176.76 177.93 3ifb s ASP 3 N -2.83 0.28 -0.02 4.37 -4.77 -1.26 -4.08 116.67 108.36 3ifb s ASP 3 Ca 0.45 0.37 -0.30 0.00 -3.30 0.00 0.00 52.55 49.77 3ifb s ASP 3 Cb -0.24 1.04 0.11 0.00 -1.09 0.00 0.00 42.92 42.74 3ifb s ASP 3 CO 0.56 -0.28 1.08 -0.44 0.70 0.00 0.00 175.17 176.78 3ifb s SER 4 N 2.52 -0.20 -0.74 2.11 0.01 -1.11 -5.03 113.70 111.27 3ifb s SER 4 Ca 0.08 -0.12 -0.15 0.00 1.31 0.00 0.00 55.95 57.08 3ifb s SER 4 Cb -0.14 0.29 0.18 0.00 0.21 0.00 0.00 66.02 66.56 3ifb s SER 4 CO -0.14 -0.51 0.70 -0.89 0.41 0.00 0.00 173.24 172.82 3ifb s THR 5 N -2.82 5.43 0.84 1.44 2.01 -1.26 -1.69 115.64 119.59 3ifb s THR 5 Ca 0.10 -2.09 -0.12 0.00 0.31 0.00 0.00 61.69 59.89 3ifb s THR 5 Cb 0.00 -4.45 0.09 0.00 0.01 0.00 0.00 72.50 68.16 3ifb s THR 5 CO -0.04 -1.01 1.14 0.26 -0.69 0.00 0.00 174.62 174.28 3ifb s TRP 6 N 0.79 2.80 -0.06 4.92 0.52 0.32 -2.68 118.94 125.56 3ifb s TRP 6 Ca 0.14 0.88 -0.14 0.00 0.02 0.00 0.00 56.10 57.00 3ifb s TRP 6 Cb -0.16 -3.35 0.03 0.00 -1.15 0.00 0.00 33.47 28.83 3ifb s TRP 6 CO -0.05 -1.95 0.33 -1.59 0.02 0.00 0.00 176.95 173.72 3ifb s LYS 7 N -5.37 0.59 0.17 4.98 0.00 0.11 -2.24 119.74 117.97 3ifb s LYS 7 Ca 0.62 0.05 -0.31 0.00 0.00 0.00 0.00 55.97 56.34 3ifb s LYS 7 Cb -0.13 0.27 -0.09 0.00 0.00 0.00 0.00 37.83 37.88 3ifb s LYS 7 CO 0.52 -0.14 1.41 0.08 0.00 0.00 0.00 175.35 177.22 3ifb s VAL 8 N -0.80 3.04 -0.16 1.79 1.01 -0.27 -0.39 120.40 124.63 3ifb s VAL 8 Ca -0.09 0.80 -0.26 0.00 0.00 0.00 0.00 61.98 62.43 3ifb s VAL 8 Cb -0.04 -3.51 -0.23 0.00 0.00 0.00 0.00 36.38 32.60 3ifb s VAL 8 CO 0.03 0.09 0.60 -0.78 0.00 0.00 0.00 175.10 175.04 3ifb h ASP 9 N 6.10 0.00 -5.11 3.32 3.58 -1.48 -3.44 116.42 119.38 3ifb h ASP 9 Ca -0.44 -0.84 -0.04 0.00 0.42 0.00 0.00 57.03 56.14 3ifb h ASP 9 Cb 1.21 0.00 -0.11 0.00 1.72 0.00 0.00 39.33 42.15 3ifb h ASP 9 CO 0.83 1.10 -0.03 0.00 -2.88 0.00 0.00 179.24 178.26 3ifb s ARG 10 N -2.23 1.31 -0.00 0.28 1.70 -1.15 -5.03 118.95 113.82 3ifb s ARG 10 Ca -0.21 -0.88 0.04 0.00 -0.47 0.00 0.00 55.73 54.22 3ifb s ARG 10 Cb -0.01 0.50 -0.01 0.00 -0.57 0.00 0.00 34.95 34.86 3ifb s ARG 10 CO 0.64 -0.54 -0.14 -1.12 -1.08 0.00 0.00 175.30 173.05 3ifb s SER 11 N -2.88 1.68 0.10 -2.89 0.01 -1.26 -1.96 113.70 106.50 3ifb s SER 11 Ca 0.09 -0.29 0.09 0.00 1.31 0.00 0.00 55.95 57.16 3ifb s SER 11 Cb -0.00 -0.18 -0.04 0.00 0.21 0.00 0.00 66.02 66.02 3ifb s SER 11 CO -0.04 0.16 -0.19 -1.61 0.41 0.00 0.00 173.24 171.97 3ifb s GLU 12 N -0.45 1.79 -1.65 12.44 2.02 0.25 -4.60 118.70 128.50 3ifb s GLU 12 Ca 0.05 -1.16 -0.12 0.00 0.02 0.00 0.00 54.97 53.76 3ifb s GLU 12 Cb -0.06 -2.10 0.11 0.00 0.10 0.00 0.00 34.13 32.19 3ifb s GLU 12 CO -0.00 0.49 0.53 0.09 0.02 0.00 0.00 175.26 176.39 3ifb n ASN 13 N 0.99 -1.62 -0.14 -0.19 4.13 -1.26 -2.75 115.26 114.42 3ifb n ASN 13 Ca -0.16 -1.11 -0.29 0.00 1.68 0.00 0.00 54.58 54.70 3ifb n ASN 13 Cb 0.53 -2.39 -0.10 0.00 -1.54 0.00 0.00 39.78 36.28 3ifb n ASN 13 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3ifb n TYR 14 N -4.36 0.08 -0.17 3.10 9.36 -1.26 -2.01 117.16 121.90 3ifb n TYR 14 Ca -0.07 0.03 -0.01 0.00 3.32 0.00 0.00 57.90 61.17 3ifb n TYR 14 Cb 0.56 -1.01 0.08 0.00 -0.63 0.00 0.00 39.34 38.34 3ifb n TYR 14 CO 0.00 0.00 0.00 0.38 0.22 0.00 0.00 176.86 177.46 3ifb h ASP 15 N -0.97 -0.03 0.66 2.98 2.03 -1.90 0.45 116.42 119.64 3ifb h ASP 15 Ca -0.68 0.10 -0.03 0.00 -0.73 0.00 0.00 57.03 55.69 3ifb h ASP 15 Cb 1.61 0.14 0.01 0.00 -0.83 0.00 0.00 39.33 40.26 3ifb h ASP 15 CO -0.40 0.01 -0.32 0.11 -1.03 0.00 0.00 179.24 177.61 3ifb h LYS 16 N 0.23 -0.85 -0.62 4.15 1.79 -1.95 0.27 116.57 119.59 3ifb h LYS 16 Ca 0.27 0.06 0.07 0.00 -2.18 0.00 0.00 60.65 58.86 3ifb h LYS 16 Cb 0.38 0.19 -0.06 0.00 -1.58 0.00 0.00 32.23 31.16 3ifb h LYS 16 CO -0.36 -0.56 0.31 0.35 -1.08 0.00 0.00 179.45 178.12 3ifb h PHE 17 N -0.91 0.56 -0.27 -1.35 3.04 -1.15 -0.97 116.94 115.88 3ifb h PHE 17 Ca -0.09 0.02 0.03 0.00 3.98 0.00 0.00 57.97 61.91 3ifb h PHE 17 Cb 0.69 -0.16 -0.03 0.00 2.56 0.00 0.00 35.95 39.01 3ifb h PHE 17 CO -0.02 0.24 0.09 0.52 -2.02 0.00 0.00 178.31 177.13 3ifb h MET 18 N 0.57 0.21 -0.81 1.11 2.86 0.05 -1.72 114.93 117.20 3ifb h MET 18 Ca 0.28 -0.01 0.20 0.00 -2.06 0.00 0.00 59.70 58.11 3ifb h MET 18 Cb 0.23 -0.05 -0.13 0.00 0.06 0.00 0.00 31.60 31.71 3ifb h MET 18 CO -0.21 0.14 0.12 1.49 1.06 0.00 0.00 176.91 179.52 3ifb h GLU 19 N 0.22 0.16 -0.01 1.72 4.81 0.93 -0.73 114.58 121.68 3ifb h GLU 19 Ca 0.12 -0.01 -0.24 0.00 -0.13 0.00 0.00 59.36 59.10 3ifb h GLU 19 Cb 0.09 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 29.44 3ifb h GLU 19 CO -0.12 0.11 -0.97 0.87 -0.73 0.00 0.00 179.01 178.17 3ifb h LYS 20 N 0.17 0.57 -0.94 1.92 1.57 -1.15 -2.90 116.57 115.81 3ifb h LYS 20 Ca 0.48 -0.59 0.18 0.00 -1.87 0.00 0.00 60.65 58.85 3ifb h LYS 20 Cb 0.90 0.16 -0.11 0.00 0.08 0.00 0.00 32.23 33.26 3ifb h LYS 20 CO -0.65 1.21 0.52 0.52 -0.57 0.00 0.00 179.45 180.48 3ifb h MET 21 N 0.33 0.64 0.00 3.15 2.86 -0.27 -3.45 114.93 118.19 3ifb h MET 21 Ca -0.10 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.50 3ifb h MET 21 Cb 1.61 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 33.12 3ifb h MET 21 CO 0.18 0.43 0.00 0.41 1.06 0.00 0.00 176.91 178.99 3ifb n GLY 22 N -1.33 0.00 3.05 8.32 0.00 -0.67 -4.96 105.19 109.59 3ifb n GLY 22 Ca 0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.92 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 0.00 2.26 0.94 1.61 1.01 -1.07 -4.93 120.40 120.21 3ifb s VAL 23 Ca 0.00 -2.00 -0.11 0.00 0.00 0.00 0.00 61.98 59.87 3ifb s VAL 23 Cb 0.00 -2.51 0.15 0.00 0.00 0.00 0.00 36.38 34.02 3ifb s VAL 23 CO 0.00 -0.33 1.09 0.54 0.00 0.00 0.00 175.10 176.40 3ifb s ASN 24 N 1.01 3.05 0.27 3.32 2.20 -1.26 -4.16 114.94 119.36 3ifb s ASN 24 Ca 0.01 1.59 -0.03 0.00 -0.94 0.00 0.00 52.86 53.49 3ifb s ASN 24 Cb -0.20 -2.25 0.54 0.00 -2.00 0.00 0.00 41.25 37.35 3ifb s ASN 24 CO -0.06 -2.92 1.42 0.00 -2.94 0.00 0.00 177.10 172.59 3ifb n ILE 25 N -4.08 -0.38 0.08 0.54 3.06 -1.26 0.77 119.36 118.09 3ifb n ILE 25 Ca 0.07 2.04 -0.03 0.00 -2.50 0.00 0.00 62.75 62.33 3ifb n ILE 25 Cb 0.55 -2.89 -0.06 0.00 0.54 0.00 0.00 39.64 37.77 3ifb n ILE 25 CO 0.00 0.00 0.00 0.58 -2.50 0.00 0.00 176.55 174.63 3ifb h VAL 26 N 0.00 1.20 -0.46 9.51 2.07 -1.98 -0.26 116.25 126.33 3ifb h VAL 26 Ca 0.49 -2.77 0.11 0.00 0.82 0.00 0.00 66.70 65.35 3ifb h VAL 26 Cb 0.87 2.57 -0.02 0.00 -1.52 0.00 0.00 31.29 33.19 3ifb h VAL 26 CO -0.90 0.69 0.33 0.50 0.02 0.00 0.00 177.57 178.20 3ifb h LYS 27 N 0.00 0.11 0.23 1.57 1.63 0.07 -2.03 116.57 118.16 3ifb h LYS 27 Ca -0.05 -0.01 -0.31 0.00 -0.85 0.00 0.00 60.65 59.44 3ifb h LYS 27 Cb 1.63 -0.02 0.03 0.00 -0.60 0.00 0.00 32.23 33.27 3ifb h LYS 27 CO 0.09 0.07 -1.36 0.00 -3.45 0.00 0.00 179.45 174.80 3ifb h ARG 28 N 0.11 0.49 0.00 1.90 3.08 -0.31 0.25 114.38 119.91 3ifb h ARG 28 Ca 0.22 -0.84 0.00 0.00 0.07 0.00 0.00 59.98 59.43 3ifb h ARG 28 Cb 0.72 0.31 0.00 0.00 0.08 0.00 0.00 29.97 31.09 3ifb h ARG 28 CO -0.02 1.40 0.00 1.63 -1.07 0.00 0.00 179.97 181.91 3ifb n LYS 29 N -3.80 0.14 -0.12 0.04 4.76 -0.16 -0.36 118.16 118.66 3ifb n LYS 29 Ca -0.17 0.55 -0.26 0.00 -2.87 0.00 0.00 58.31 55.57 3ifb n LYS 29 Cb 1.05 -1.89 -0.11 0.00 -1.84 0.00 0.00 35.03 32.24 3ifb n LYS 29 CO 0.00 0.00 0.00 1.47 -1.37 0.00 0.00 177.40 177.50 3ifb n LEU 30 N -2.17 2.12 0.23 -0.35 -0.00 -0.94 -4.48 117.00 111.40 3ifb n LEU 30 Ca -0.00 0.29 0.17 0.00 -0.00 0.00 0.00 56.01 56.46 3ifb n LEU 30 Cb 0.09 -0.89 0.86 0.00 -0.00 0.00 0.00 43.42 43.48 3ifb n LEU 30 CO 0.12 0.57 1.14 0.00 -0.00 0.00 0.00 177.39 179.22 3ifb h ALA 31 N -0.66 1.72 -0.70 1.47 0.00 0.14 0.52 119.26 121.75 3ifb h ALA 31 Ca -0.58 -0.00 -0.42 0.00 0.00 0.00 0.00 54.91 53.90 3ifb h ALA 31 Cb 1.60 0.01 -0.24 0.00 0.00 0.00 0.00 17.79 19.16 3ifb h ALA 31 CO -0.29 -0.22 0.17 0.00 0.00 0.00 0.00 179.25 178.91 3ifb n ALA 32 N -2.32 5.17 -1.92 0.00 0.00 0.52 -4.55 120.51 117.40 3ifb n ALA 32 Ca 0.00 -3.27 0.00 0.00 0.00 0.00 0.00 53.44 50.17 3ifb n ALA 32 Cb 0.26 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.65 3ifb n ALA 32 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3ifb n HIS 33 N -1.02 0.00 0.00 0.00 -0.00 0.18 -4.92 115.22 109.46 3ifb n HIS 33 Ca 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.19 3ifb n HIS 33 Cb 1.09 0.16 0.00 0.00 -0.00 0.00 0.00 29.99 31.24 3ifb n HIS 33 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 3ifb n ASP 34 N 0.00 3.21 0.00 0.41 8.00 -0.98 -4.93 116.55 122.26 3ifb n ASP 34 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 3ifb n ASP 34 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.62 3ifb n ASP 34 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 3ifb n ASN 35 N -2.39 0.00 0.00 -2.24 2.04 -1.26 -4.93 115.26 106.48 3ifb n ASN 35 Ca 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.14 3ifb n ASN 35 Cb 0.43 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.68 3ifb n ASN 35 CO 0.00 0.00 0.00 0.18 -0.44 0.00 0.00 177.26 177.00 3ifb n LEU 36 N 0.00 0.00 -4.65 -4.53 4.77 -1.26 -4.86 117.00 106.47 3ifb n LEU 36 Ca 0.00 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.70 3ifb n LEU 36 Cb 0.00 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 3ifb n LEU 36 CO 0.00 0.00 -0.27 -1.59 -1.33 0.00 0.00 177.39 174.20 3ifb s LYS 37 N 0.00 2.01 0.00 3.23 -2.85 -0.72 -1.11 119.74 120.30 3ifb s LYS 37 Ca 0.00 -2.09 0.04 0.00 -1.00 0.00 0.00 55.97 52.93 3ifb s LYS 37 Cb 0.00 -1.68 -0.01 0.00 -2.06 0.00 0.00 37.83 34.07 3ifb s LYS 37 CO 0.00 -0.08 -0.14 -1.17 0.10 0.00 0.00 175.35 174.06 3ifb s LEU 38 N -3.75 2.06 -0.47 2.77 1.98 -0.95 -1.48 118.68 118.84 3ifb s LEU 38 Ca 0.34 -0.30 -0.04 0.00 -2.89 0.00 0.00 54.13 51.24 3ifb s LEU 38 Cb 0.09 -0.70 0.12 0.00 0.66 0.00 0.00 46.19 46.36 3ifb s LEU 38 CO 0.18 0.14 0.28 -0.89 -1.89 0.00 0.00 176.35 174.18 3ifb s THR 39 N -0.44 3.59 0.15 3.68 2.01 -0.50 -0.52 115.64 123.61 3ifb s THR 39 Ca 0.05 -2.17 -0.08 0.00 0.31 0.00 0.00 61.69 59.81 3ifb s THR 39 Cb -0.06 -3.41 -0.06 0.00 0.01 0.00 0.00 72.50 68.98 3ifb s THR 39 CO -0.00 -0.75 0.43 -0.51 -0.69 0.00 0.00 174.62 173.10 3ifb s ILE 40 N 0.96 5.08 -0.28 1.82 2.07 -0.68 -1.97 121.20 128.20 3ifb s ILE 40 Ca 0.09 0.28 -0.01 0.00 -1.41 0.00 0.00 60.65 59.60 3ifb s ILE 40 Cb -0.23 -3.63 0.17 0.00 0.13 0.00 0.00 42.46 38.90 3ifb s ILE 40 CO -0.03 0.08 0.51 -0.89 -1.91 0.00 0.00 174.94 172.69 3ifb s THR 41 N -1.63 -0.83 0.66 4.00 2.01 -0.98 -2.75 115.64 116.12 3ifb s THR 41 Ca 0.41 -0.03 -0.12 0.00 0.31 0.00 0.00 61.69 62.25 3ifb s THR 41 Cb -0.12 -0.93 -0.01 0.00 0.01 0.00 0.00 72.50 71.45 3ifb s THR 41 CO 0.22 -0.06 1.05 -1.10 -0.69 0.00 0.00 174.62 174.05 3ifb s GLN 42 N 2.73 3.10 -0.45 4.92 -1.52 -1.26 -2.39 119.66 124.79 3ifb s GLN 42 Ca 0.17 1.00 0.06 0.00 -1.95 0.00 0.00 55.36 54.65 3ifb s GLN 42 Cb -0.15 -2.01 0.22 0.00 -0.22 0.00 0.00 33.01 30.85 3ifb s GLN 42 CO -0.19 -0.97 0.64 0.39 -0.25 0.00 0.00 175.29 174.91 3ifb n GLU 43 N -2.80 0.61 0.00 2.91 -0.58 -0.13 -4.93 120.64 115.72 3ifb n GLU 43 Ca 0.08 -2.54 0.00 0.00 -0.42 0.00 0.00 57.16 54.28 3ifb n GLU 43 Cb 0.53 -1.42 0.00 0.00 -0.57 0.00 0.00 31.44 29.99 3ifb n GLU 43 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ifb n GLY 44 N 1.99 2.08 1.37 0.62 0.00 -1.26 -2.14 105.19 107.85 3ifb n GLY 44 Ca 0.18 -0.41 0.02 0.00 0.00 0.00 0.00 46.02 45.81 3ifb n GLY 44 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3ifb n ASN 45 N 7.87 3.75 -4.65 1.61 6.94 -1.26 -4.89 115.26 124.65 3ifb n ASN 45 Ca 0.00 -2.60 -0.30 0.00 -0.02 0.00 0.00 54.58 51.67 3ifb n ASN 45 Cb 0.00 -0.62 -0.09 0.00 -2.36 0.00 0.00 39.78 36.71 3ifb n ASN 45 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 3ifb s LYS 46 N -2.03 2.38 -0.28 -3.83 2.47 -0.91 -4.40 119.74 113.14 3ifb s LYS 46 Ca 0.32 -0.94 -0.02 0.00 -1.56 0.00 0.00 55.97 53.77 3ifb s LYS 46 Cb 0.25 -2.43 0.09 0.00 -1.46 0.00 0.00 37.83 34.28 3ifb s LYS 46 CO 0.09 0.52 0.09 -0.06 0.16 0.00 0.00 175.35 176.15 3ifb s PHE 47 N -1.33 1.31 -0.05 4.03 0.40 0.96 -0.95 117.98 122.34 3ifb s PHE 47 Ca 0.24 -1.39 -0.08 0.00 -0.60 0.00 0.00 56.93 55.10 3ifb s PHE 47 Cb -0.11 -1.42 -0.05 0.00 0.51 0.00 0.00 43.02 41.96 3ifb s PHE 47 CO 0.17 -0.81 0.23 -0.08 0.70 0.00 0.00 175.22 175.43 3ifb s THR 48 N 1.76 5.35 -0.20 0.64 -1.32 -1.01 -1.92 115.64 118.94 3ifb s THR 48 Ca 0.07 0.31 -0.01 0.00 -1.21 0.00 0.00 61.69 60.86 3ifb s THR 48 Cb -0.17 -3.52 0.05 0.00 -1.51 0.00 0.00 72.50 67.36 3ifb s THR 48 CO -0.24 0.53 -0.02 0.68 -2.21 0.00 0.00 174.62 173.36 3ifb s VAL 49 N -1.13 1.02 -0.24 5.08 -7.23 0.37 -2.31 120.40 115.97 3ifb s VAL 49 Ca 0.21 -0.79 -0.18 0.00 -1.81 0.00 0.00 61.98 59.40 3ifb s VAL 49 Cb -0.13 -1.35 -0.03 0.00 0.56 0.00 0.00 36.38 35.43 3ifb s VAL 49 CO 0.10 -0.08 0.52 -0.75 -0.31 0.00 0.00 175.10 174.59 3ifb s LYS 50 N 1.64 4.11 -0.67 4.82 2.47 -0.83 -1.23 119.74 130.06 3ifb s LYS 50 Ca -0.02 0.37 -0.08 0.00 -1.56 0.00 0.00 55.97 54.68 3ifb s LYS 50 Cb -0.17 -3.62 0.17 0.00 -1.46 0.00 0.00 37.83 32.75 3ifb s LYS 50 CO -0.07 -0.29 0.53 -1.21 0.16 0.00 0.00 175.35 174.47 3ifb s GLU 51 N 2.10 2.89 0.48 4.03 0.41 0.19 -1.41 118.70 127.38 3ifb s GLU 51 Ca 0.22 -2.39 -0.19 0.00 -0.41 0.00 0.00 54.97 52.20 3ifb s GLU 51 Cb -0.16 -3.99 -0.09 0.00 -1.78 0.00 0.00 34.13 28.11 3ifb s GLU 51 CO 0.09 -1.22 0.99 0.45 -0.49 0.00 0.00 175.26 175.08 3ifb s SER 52 N 1.49 6.62 0.00 -0.19 0.15 -0.55 -2.03 113.70 119.19 3ifb s SER 52 Ca 0.15 1.74 0.00 0.00 0.70 0.00 0.00 55.95 58.54 3ifb s SER 52 Cb -0.18 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.59 3ifb s SER 52 CO -0.05 -0.58 0.00 -1.20 1.20 0.00 0.00 173.24 172.61 3ifb n SER 53 N -1.04 0.00 -0.33 5.45 7.64 -1.26 -1.75 113.62 122.33 3ifb n SER 53 Ca 0.08 0.00 0.33 0.00 1.01 0.00 0.00 58.87 60.28 3ifb n SER 53 Cb 0.54 0.00 0.50 0.00 -1.01 0.00 0.00 64.21 64.23 3ifb n SER 53 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3ifb n ALA 54 N -0.99 1.16 1.48 -0.43 0.00 -1.26 0.61 120.51 121.07 3ifb n ALA 54 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.84 3ifb n ALA 54 Cb 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 18.76 3ifb n ALA 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3ifb n PHE 55 N -3.28 0.00 -0.22 0.00 3.01 -1.26 -4.98 117.46 110.73 3ifb n PHE 55 Ca 0.27 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.73 3ifb n PHE 55 Cb 1.55 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 41.02 3ifb n PHE 55 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 3ifb n ARG 56 N -0.49 -0.63 -1.73 -1.08 0.63 0.20 -4.36 116.66 109.19 3ifb n ARG 56 Ca 0.00 0.47 -0.42 0.00 -0.92 0.00 0.00 57.85 56.98 3ifb n ARG 56 Cb 0.00 -0.53 -0.02 0.00 0.45 0.00 0.00 32.46 32.36 3ifb n ARG 56 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 3ifb n ASN 57 N -0.93 3.97 -4.63 6.15 6.94 -1.26 -4.36 115.26 121.14 3ifb n ASN 57 Ca 0.00 1.10 -0.34 0.00 -0.02 0.00 0.00 54.58 55.32 3ifb n ASN 57 Cb 0.00 -1.59 -0.10 0.00 -2.36 0.00 0.00 39.78 35.73 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 0.58 3.99 -0.36 1.53 -1.09 -0.86 -4.93 121.20 120.06 3ifb s ILE 58 Ca 0.69 -0.43 -0.12 0.00 -2.23 0.00 0.00 60.65 58.57 3ifb s ILE 58 Cb -0.49 -2.68 0.01 0.00 -1.58 0.00 0.00 42.46 37.72 3ifb s ILE 58 CO 0.40 0.56 0.22 -0.70 -1.23 0.00 0.00 174.94 174.19 3ifb s GLU 59 N -0.98 3.03 0.16 2.79 -6.30 -1.26 -0.64 118.70 115.50 3ifb s GLU 59 Ca 0.14 -0.95 0.10 0.00 -2.50 0.00 0.00 54.97 51.77 3ifb s GLU 59 Cb -0.11 -3.75 -0.04 0.00 0.00 0.00 0.00 34.13 30.22 3ifb s GLU 59 CO 0.03 -0.62 -0.23 0.08 0.02 0.00 0.00 175.26 174.54 3ifb s VAL 60 N 1.61 2.13 -0.08 3.70 1.01 -0.36 -5.01 120.40 123.40 3ifb s VAL 60 Ca 0.04 -1.86 -0.30 0.00 0.00 0.00 0.00 61.98 59.86 3ifb s VAL 60 Cb -0.18 -1.95 0.09 0.00 0.00 0.00 0.00 36.38 34.34 3ifb s VAL 60 CO 0.08 -0.08 0.80 0.54 0.00 0.00 0.00 175.10 176.43 3ifb s VAL 61 N -1.48 0.00 0.30 2.92 0.11 -1.26 -0.48 120.40 120.51 3ifb s VAL 61 Ca 0.16 0.00 -0.19 0.00 -2.93 0.00 0.00 61.98 59.02 3ifb s VAL 61 Cb -0.08 -1.00 0.06 0.00 -1.53 0.00 0.00 36.38 33.82 3ifb s VAL 61 CO 0.07 0.00 0.87 0.72 -3.33 0.00 0.00 175.10 173.43 3ifb s PHE 62 N -1.38 0.05 0.00 1.54 -0.12 -0.81 -4.96 117.98 112.30 3ifb s PHE 62 Ca -0.06 -0.60 0.00 0.00 -0.05 0.00 0.00 56.93 56.22 3ifb s PHE 62 Cb -0.00 0.77 0.00 0.00 -0.63 0.00 0.00 43.02 43.16 3ifb s PHE 62 CO 0.05 -1.29 0.00 0.39 -0.05 0.00 0.00 175.22 174.32 3ifb n GLU 63 N -0.57 0.00 -2.85 1.99 1.02 -1.26 -0.03 120.64 118.94 3ifb n GLU 63 Ca -0.06 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 56.97 3ifb n GLU 63 Cb 0.60 0.00 0.05 0.00 -0.02 0.00 0.00 31.44 32.07 3ifb n GLU 63 CO 0.00 0.00 0.00 1.47 1.18 0.00 0.00 177.13 179.78 3ifb n LEU 64 N 0.00 -0.59 0.00 -4.62 -0.00 -1.26 -4.49 117.00 106.04 3ifb n LEU 64 Ca 0.00 -4.05 0.00 0.00 -0.00 0.00 0.00 56.01 51.96 3ifb n LEU 64 Cb 0.00 0.60 0.00 0.00 -0.00 0.00 0.00 43.42 44.02 3ifb n LEU 64 CO 0.00 2.01 0.00 0.61 -0.00 0.00 0.00 177.39 180.01 3ifb n GLY 65 N 0.07 0.46 3.03 1.47 0.00 0.86 -4.80 105.19 106.28 3ifb n GLY 65 Ca 0.11 -0.78 -0.10 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.14 0.10 0.08 1.61 1.01 -1.03 -4.95 120.40 117.08 3ifb s VAL 66 Ca 0.00 -0.79 0.05 0.00 0.00 0.00 0.00 61.98 61.25 3ifb s VAL 66 Cb 0.00 -0.33 -0.04 0.00 0.00 0.00 0.00 36.38 36.01 3ifb s VAL 66 CO 0.00 -0.43 -0.06 -0.89 0.00 0.00 0.00 175.10 173.72 3ifb s THR 67 N -1.38 3.67 -0.07 3.92 2.01 -1.26 -2.29 115.64 120.23 3ifb s THR 67 Ca -0.15 -1.07 -0.32 0.00 0.31 0.00 0.00 61.69 60.47 3ifb s THR 67 Cb -0.09 -2.70 0.12 0.00 0.01 0.00 0.00 72.50 69.84 3ifb s THR 67 CO 0.00 0.17 1.12 0.72 -0.69 0.00 0.00 174.62 175.94 3ifb s PHE 68 N -1.21 -0.17 0.35 4.92 -0.12 0.15 -4.98 117.98 116.94 3ifb s PHE 68 Ca 0.22 0.06 -0.11 0.00 -0.05 0.00 0.00 56.93 57.05 3ifb s PHE 68 Cb -0.11 0.54 -0.07 0.00 -0.63 0.00 0.00 43.02 42.75 3ifb s PHE 68 CO 0.14 -0.37 0.71 -0.80 -0.05 0.00 0.00 175.22 174.85 3ifb s ASN 69 N -2.49 6.58 0.00 1.98 -0.87 -1.26 -1.59 114.94 117.29 3ifb s ASN 69 Ca 0.09 1.09 0.00 0.00 -1.57 0.00 0.00 52.86 52.48 3ifb s ASN 69 Cb 0.00 -2.30 -0.00 0.00 -0.02 0.00 0.00 41.25 38.93 3ifb s ASN 69 CO -0.05 -0.29 -0.02 -0.47 -2.57 0.00 0.00 177.10 173.70 3ifb s TYR 70 N -2.19 0.15 0.09 2.20 6.14 -0.55 -4.97 117.35 118.22 3ifb s TYR 70 Ca 0.51 -0.12 0.05 0.00 0.64 0.00 0.00 57.07 58.15 3ifb s TYR 70 Cb -0.10 -0.10 -0.03 0.00 0.42 0.00 0.00 41.96 42.14 3ifb s TYR 70 CO 0.27 -0.03 -0.14 1.21 0.64 0.00 0.00 175.55 177.49 3ifb s ASN 71 N -0.31 1.80 0.30 4.32 3.84 -1.26 -1.96 114.94 121.68 3ifb s ASN 71 Ca -0.02 -0.68 0.09 0.00 0.21 0.00 0.00 52.86 52.45 3ifb s ASN 71 Cb -0.02 -0.06 -0.04 0.00 -0.55 0.00 0.00 41.25 40.58 3ifb s ASN 71 CO -0.00 -0.09 0.11 -0.22 -2.79 0.00 0.00 177.10 174.10 3ifb s LEU 72 N -1.97 3.32 0.10 3.21 2.96 -0.92 -4.95 118.68 120.43 3ifb s LEU 72 Ca 0.02 -0.66 -0.10 0.00 -0.22 0.00 0.00 54.13 53.17 3ifb s LEU 72 Cb -0.08 -1.82 -0.18 0.00 0.50 0.00 0.00 46.19 44.61 3ifb s LEU 72 CO 0.02 -0.17 1.23 0.00 -1.32 0.00 0.00 176.35 176.12 3ifb h ALA 73 N 1.64 0.22 -0.46 5.97 0.00 -1.90 -3.16 119.26 121.57 3ifb h ALA 73 Ca -0.44 -0.71 0.08 0.00 0.00 0.00 0.00 54.91 53.84 3ifb h ALA 73 Cb 1.25 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 19.00 3ifb h ALA 73 CO 0.62 0.75 0.07 0.22 0.00 0.00 0.00 179.25 180.90 3ifb h ASP 74 N 0.31 -0.06 0.00 0.00 3.58 -1.96 -3.45 116.42 114.85 3ifb h ASP 74 Ca -0.11 0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.43 3ifb h ASP 74 Cb 1.66 0.14 0.00 0.00 1.72 0.00 0.00 39.33 42.85 3ifb h ASP 74 CO 0.19 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 177.16 3ifb n GLY 75 N -1.28 -0.17 3.37 -0.78 0.00 -1.20 -5.11 105.19 100.02 3ifb n GLY 75 Ca 0.05 -0.11 -0.20 0.00 0.00 0.00 0.00 46.02 45.76 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 1.89 -0.13 2.61 2.01 -1.22 -4.95 115.64 115.84 3ifb s THR 76 Ca 0.00 -2.24 -0.07 0.00 0.31 0.00 0.00 61.69 59.69 3ifb s THR 76 Cb 0.00 -2.08 0.05 0.00 0.01 0.00 0.00 72.50 70.48 3ifb s THR 76 CO 0.00 -0.55 0.32 -1.83 -0.69 0.00 0.00 174.62 171.87 3ifb s GLU 77 N -3.58 0.29 0.13 4.92 -1.05 -1.26 -2.16 118.70 115.99 3ifb s GLU 77 Ca 0.24 0.62 -0.25 0.00 -0.15 0.00 0.00 54.97 55.43 3ifb s GLU 77 Cb -0.02 -0.06 0.07 0.00 -0.44 0.00 0.00 34.13 33.68 3ifb s GLU 77 CO 0.08 -0.15 0.80 -0.48 0.95 0.00 0.00 175.26 176.46 3ifb s LEU 78 N 1.22 -0.35 -0.01 1.83 2.34 -0.83 -3.57 118.68 119.31 3ifb s LEU 78 Ca -0.09 -0.21 0.07 0.00 0.06 0.00 0.00 54.13 53.96 3ifb s LEU 78 Cb -0.09 2.34 -0.02 0.00 -0.56 0.00 0.00 46.19 47.86 3ifb s LEU 78 CO -0.09 -0.92 -0.22 -0.60 -1.06 0.00 0.00 176.35 173.46 3ifb s ARG 79 N -3.47 1.71 0.26 1.48 3.52 -1.05 -1.48 118.95 119.92 3ifb s ARG 79 Ca 0.07 -0.81 -0.16 0.00 -0.13 0.00 0.00 55.73 54.69 3ifb s ARG 79 Cb -0.02 -1.68 0.06 0.00 -1.56 0.00 0.00 34.95 31.75 3ifb s ARG 79 CO -0.04 0.46 0.81 0.41 -0.81 0.00 0.00 175.30 176.12 3ifb n GLY 80 N 2.41 0.89 3.53 8.12 0.00 -0.62 -0.52 105.19 119.00 3ifb n GLY 80 Ca -0.16 -1.18 -0.25 0.00 0.00 0.00 0.00 46.02 44.44 3ifb n GLY 80 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ifb s THR 81 N -2.16 1.81 0.05 2.61 -4.23 -0.66 -0.67 115.64 112.39 3ifb s THR 81 Ca 0.17 -2.07 0.03 0.00 -1.18 0.00 0.00 61.69 58.64 3ifb s THR 81 Cb -0.03 -2.77 -0.03 0.00 1.34 0.00 0.00 72.50 71.01 3ifb s THR 81 CO 0.08 -0.10 -0.10 0.26 -0.54 0.00 0.00 174.62 174.22 3ifb s TRP 82 N -2.88 0.84 -0.36 3.99 0.23 -0.97 -2.09 118.94 117.71 3ifb s TRP 82 Ca 0.34 -0.49 0.02 0.00 -2.03 0.00 0.00 56.10 53.94 3ifb s TRP 82 Cb 0.07 -0.49 0.15 0.00 0.03 0.00 0.00 33.47 33.23 3ifb s TRP 82 CO 0.16 -0.04 0.35 0.45 0.96 0.00 0.00 176.95 178.83 3ifb s SER 83 N -1.63 1.44 -0.90 2.95 0.15 -0.59 -0.10 113.70 115.02 3ifb s SER 83 Ca -0.07 -1.52 -0.26 0.00 0.70 0.00 0.00 55.95 54.80 3ifb s SER 83 Cb -0.10 0.45 -0.16 0.00 -1.71 0.00 0.00 66.02 64.50 3ifb s SER 83 CO 0.01 -0.28 2.28 -0.22 1.20 0.00 0.00 173.24 176.23 3ifb s LEU 84 N 1.54 2.70 -1.37 3.45 0.20 -1.26 -2.45 118.68 121.48 3ifb s LEU 84 Ca 0.16 -0.36 -0.15 0.00 0.69 0.00 0.00 54.13 54.47 3ifb s LEU 84 Cb -0.16 -2.57 0.07 0.00 -0.43 0.00 0.00 46.19 43.10 3ifb s LEU 84 CO -0.08 -4.15 1.97 -1.84 -0.29 0.00 0.00 176.35 171.97 3ifb n GLU 85 N 8.59 3.06 0.00 1.98 0.28 0.41 -4.89 120.64 130.07 3ifb n GLU 85 Ca 0.45 -3.00 0.00 0.00 -0.16 0.00 0.00 57.16 54.45 3ifb n GLU 85 Cb 0.45 -3.34 0.00 0.00 1.43 0.00 0.00 31.44 29.97 3ifb n GLU 85 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3ifb n GLY 86 N 4.56 0.40 0.34 -1.84 0.00 -1.26 -2.08 105.19 105.31 3ifb n GLY 86 Ca 0.49 0.15 -0.04 0.00 0.00 0.00 0.00 46.02 46.62 3ifb n GLY 86 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3ifb h ASN 87 N 0.00 -1.11 -4.58 1.61 4.21 -1.98 -3.45 115.58 110.28 3ifb h ASN 87 Ca 0.00 0.23 -0.42 0.00 1.21 0.00 0.00 56.30 57.32 3ifb h ASN 87 Cb 0.00 0.57 -0.11 0.00 -1.12 0.00 0.00 38.32 37.66 3ifb h ASN 87 CO 0.00 -0.29 -0.39 0.29 -1.29 0.00 0.00 177.43 175.75 3ifb n LYS 88 N -5.45 0.45 -3.74 0.81 5.02 -0.88 -4.80 118.16 109.57 3ifb n LYS 88 Ca 0.06 -3.10 -0.37 0.00 -2.02 0.00 0.00 58.31 52.88 3ifb n LYS 88 Cb 0.36 2.62 -0.07 0.00 -0.02 0.00 0.00 35.03 37.93 3ifb n LYS 88 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3ifb s LEU 89 N 0.00 4.34 -0.18 -0.35 1.02 -0.82 0.15 118.68 122.85 3ifb s LEU 89 Ca 0.36 0.49 -0.06 0.00 0.02 0.00 0.00 54.13 54.94 3ifb s LEU 89 Cb 0.01 -2.20 -0.04 0.00 0.02 0.00 0.00 46.19 43.99 3ifb s LEU 89 CO 0.26 0.30 0.03 -0.63 0.02 0.00 0.00 176.35 176.33 3ifb s ILE 90 N -0.48 4.47 0.37 -0.59 1.01 -1.03 -3.09 121.20 121.86 3ifb s ILE 90 Ca 0.15 -0.15 0.06 0.00 0.00 0.00 0.00 60.65 60.72 3ifb s ILE 90 Cb -0.13 -3.01 -0.07 0.00 0.01 0.00 0.00 42.46 39.27 3ifb s ILE 90 CO 0.04 0.46 0.01 -0.83 0.00 0.00 0.00 174.94 174.62 3ifb s GLY 91 N 0.48 2.29 -0.30 6.18 0.00 0.09 -1.55 107.32 114.51 3ifb s GLY 91 Ca 0.01 -2.18 -0.01 0.00 0.00 0.00 0.00 44.72 42.55 3ifb s GLY 91 CO 0.01 -1.99 0.64 1.25 0.00 0.00 0.00 173.10 173.02 3ifb s LYS 92 N -3.76 0.53 0.41 2.90 2.36 -0.89 -1.62 119.74 119.67 3ifb s LYS 92 Ca 0.35 0.86 0.06 0.00 -2.55 0.00 0.00 55.97 54.69 3ifb s LYS 92 Cb 0.08 0.47 -0.07 0.00 -1.05 0.00 0.00 37.83 37.25 3ifb s LYS 92 CO 0.17 -0.66 0.01 -0.06 1.55 0.00 0.00 175.35 176.36 3ifb s PHE 93 N 2.86 2.43 -0.16 4.03 0.40 -0.64 -1.65 117.98 125.26 3ifb s PHE 93 Ca 0.17 -0.72 -0.13 0.00 -0.60 0.00 0.00 56.93 55.66 3ifb s PHE 93 Cb -0.13 -1.72 0.04 0.00 0.51 0.00 0.00 43.02 41.72 3ifb s PHE 93 CO -0.21 0.39 0.41 0.21 0.70 0.00 0.00 175.22 176.72 3ifb s LYS 94 N -3.74 0.46 0.66 0.44 2.36 0.32 -0.56 119.74 119.69 3ifb s LYS 94 Ca 0.34 0.61 -0.13 0.00 -2.55 0.00 0.00 55.97 54.24 3ifb s LYS 94 Cb 0.09 0.18 -0.00 0.00 -1.05 0.00 0.00 37.83 37.05 3ifb s LYS 94 CO 0.17 -0.08 1.07 1.03 1.55 0.00 0.00 175.35 179.09 3ifb s ARG 95 N 0.45 2.97 -0.12 4.03 0.52 0.55 -2.51 118.95 124.83 3ifb s ARG 95 Ca -0.02 1.13 0.18 0.00 -0.52 0.00 0.00 55.73 56.50 3ifb s ARG 95 Cb -0.04 -1.99 0.43 0.00 0.52 0.00 0.00 34.95 33.87 3ifb s ARG 95 CO -0.02 -1.09 1.19 -2.37 0.02 0.00 0.00 175.30 173.03 3ifb n THR 96 N -2.69 1.16 0.07 0.02 5.66 -1.23 -3.58 114.28 113.69 3ifb n THR 96 Ca 0.09 -2.22 0.00 0.00 -3.05 0.00 0.00 64.05 58.86 3ifb n THR 96 Cb 0.53 0.36 0.00 0.00 -1.55 0.00 0.00 70.33 69.67 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 -0.33 0.31 0.38 1.09 2.03 -1.26 -4.77 116.55 113.99 3ifb n ASP 97 Ca 0.13 0.24 -0.19 0.00 0.52 0.00 0.00 54.79 55.49 3ifb n ASP 97 Cb 0.92 0.04 -0.09 0.00 -0.72 0.00 0.00 41.12 41.27 3ifb n ASP 97 CO 0.00 0.00 0.00 0.78 -1.92 0.00 0.00 177.20 176.06 3ifb h ASN 98 N 0.00 -1.17 -1.83 1.67 2.35 -1.95 -3.49 115.58 111.16 3ifb h ASN 98 Ca 0.00 0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 3ifb h ASN 98 Cb 0.00 0.35 0.00 0.00 0.05 0.00 0.00 38.32 38.72 3ifb h ASN 98 CO 0.00 -0.68 0.00 0.61 -1.65 0.00 0.00 177.43 175.71 3ifb n GLY 99 N -1.58 0.10 3.58 2.83 0.00 -1.23 -5.10 105.19 103.79 3ifb n GLY 99 Ca -0.14 -0.40 -0.07 0.00 0.00 0.00 0.00 46.02 45.41 3ifb n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ifb s ASN 100 N -1.84 -0.26 0.88 1.61 6.03 -1.25 -4.96 114.94 115.15 3ifb s ASN 100 Ca 0.00 0.18 -0.11 0.00 -1.03 0.00 0.00 52.86 51.90 3ifb s ASN 100 Cb 0.00 0.23 0.12 0.00 -3.03 0.00 0.00 41.25 38.57 3ifb s ASN 100 CO 0.00 -0.31 1.09 -1.61 -2.03 0.00 0.00 177.10 174.24 3ifb s GLU 101 N -1.72 1.43 0.10 3.55 2.02 -1.26 -0.33 118.70 122.48 3ifb s GLU 101 Ca 0.04 0.87 0.07 0.00 0.02 0.00 0.00 54.97 55.96 3ifb s GLU 101 Cb -0.01 -1.82 -0.03 0.00 0.10 0.00 0.00 34.13 32.36 3ifb s GLU 101 CO -0.03 -2.14 -0.17 -1.17 0.02 0.00 0.00 175.26 171.77 3ifb s LEU 102 N -6.16 2.32 -0.11 1.80 2.96 0.28 -4.23 118.68 115.54 3ifb s LEU 102 Ca 0.63 -0.69 -0.01 0.00 -0.22 0.00 0.00 54.13 53.84 3ifb s LEU 102 Cb -0.18 -0.69 0.03 0.00 0.50 0.00 0.00 46.19 45.85 3ifb s LEU 102 CO 0.57 -0.03 -0.04 0.20 -1.32 0.00 0.00 176.35 175.72 3ifb s ASN 103 N -1.98 2.07 0.21 3.68 0.01 -0.28 -1.61 114.94 117.04 3ifb s ASN 103 Ca 0.04 -0.28 0.08 0.00 -0.71 0.00 0.00 52.86 51.99 3ifb s ASN 103 Cb -0.09 -0.70 -0.04 0.00 0.41 0.00 0.00 41.25 40.83 3ifb s ASN 103 CO 0.03 -0.16 -0.01 0.42 -1.51 0.00 0.00 177.10 175.87 3ifb s THR 104 N 1.80 3.56 0.07 1.60 -4.23 -0.64 -0.51 115.64 117.28 3ifb s THR 104 Ca 0.04 -1.63 0.02 0.00 -1.18 0.00 0.00 61.69 58.95 3ifb s THR 104 Cb -0.13 -2.82 -0.03 0.00 1.34 0.00 0.00 72.50 70.85 3ifb s THR 104 CO -0.07 -0.20 -0.08 -0.69 -0.54 0.00 0.00 174.62 173.04 3ifb s VAL 105 N -1.93 0.64 -0.17 2.29 1.01 0.15 -0.73 120.40 121.66 3ifb s VAL 105 Ca 0.28 -1.45 -0.15 0.00 0.00 0.00 0.00 61.98 60.67 3ifb s VAL 105 Cb -0.08 -1.08 0.04 0.00 0.00 0.00 0.00 36.38 35.26 3ifb s VAL 105 CO 0.19 -0.58 0.44 -0.13 0.00 0.00 0.00 175.10 175.02 3ifb s ARG 106 N -2.53 0.51 -0.24 2.72 0.52 -1.18 -1.92 118.95 116.83 3ifb s ARG 106 Ca -0.00 0.62 -0.28 0.00 -0.52 0.00 0.00 55.73 55.55 3ifb s ARG 106 Cb -0.04 0.23 0.15 0.00 0.52 0.00 0.00 34.95 35.82 3ifb s ARG 106 CO -0.02 -0.07 1.17 -2.00 0.02 0.00 0.00 175.30 174.41 3ifb s GLU 107 N 0.31 0.35 -0.24 3.54 -6.30 -0.93 -1.93 118.70 113.49 3ifb s GLU 107 Ca -0.01 0.20 -0.28 0.00 -2.50 0.00 0.00 54.97 52.38 3ifb s GLU 107 Cb -0.03 0.17 0.01 0.00 0.00 0.00 0.00 34.13 34.27 3ifb s GLU 107 CO -0.00 -0.09 1.01 -1.50 0.02 0.00 0.00 175.26 174.70 3ifb s ILE 108 N -0.60 4.68 -0.31 -3.70 -1.16 -1.26 -0.63 121.20 118.23 3ifb s ILE 108 Ca 0.03 1.94 -0.08 0.00 -0.51 0.00 0.00 60.65 62.03 3ifb s ILE 108 Cb -0.02 -4.29 0.00 0.00 0.61 0.00 0.00 42.46 38.76 3ifb s ILE 108 CO -0.05 -0.20 0.12 -0.51 -2.81 0.00 0.00 174.94 171.49 3ifb s ILE 109 N 3.19 4.26 0.00 2.00 -1.16 0.38 -4.91 121.20 124.97 3ifb s ILE 109 Ca 0.43 -0.60 0.00 0.00 -0.51 0.00 0.00 60.65 59.97 3ifb s ILE 109 Cb -0.15 -3.20 0.00 0.00 0.61 0.00 0.00 42.46 39.72 3ifb s ILE 109 CO 0.07 0.05 0.00 0.61 -2.81 0.00 0.00 174.94 172.86 3ifb n GLY 110 N 4.92 3.57 1.34 1.50 0.00 -1.26 0.30 105.19 115.56 3ifb n GLY 110 Ca -0.14 0.16 0.08 0.00 0.00 0.00 0.00 46.02 46.13 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 6.08 4.51 -4.43 1.61 5.75 -1.26 -4.95 116.55 123.85 3ifb n ASP 111 Ca 0.00 -2.66 -0.22 0.00 -0.01 0.00 0.00 54.79 51.91 3ifb n ASP 111 Cb 0.00 -0.55 -0.10 0.00 -1.03 0.00 0.00 41.12 39.44 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 -2.21 1.55 -0.12 0.11 8.01 0.15 -4.57 118.70 121.62 3ifb s GLU 112 Ca 0.46 -1.72 -0.02 0.00 0.01 0.00 0.00 54.97 53.70 3ifb s GLU 112 Cb 0.33 -1.47 -0.03 0.00 -4.31 0.00 0.00 34.13 28.65 3ifb s GLU 112 CO 0.17 0.24 -0.03 -1.17 0.01 0.00 0.00 175.26 174.48 3ifb s LEU 113 N -3.44 3.34 0.29 1.80 0.20 -0.56 0.14 118.68 120.45 3ifb s LEU 113 Ca 0.27 -0.02 0.04 0.00 0.69 0.00 0.00 54.13 55.11 3ifb s LEU 113 Cb -0.02 -1.78 -0.02 0.00 -0.43 0.00 0.00 46.19 43.94 3ifb s LEU 113 CO 0.12 0.27 0.43 0.54 -0.29 0.00 0.00 176.35 177.42 3ifb s VAL 114 N -0.24 4.90 -0.02 1.68 0.11 0.20 -1.34 120.40 125.69 3ifb s VAL 114 Ca 0.04 -0.88 -0.01 0.00 -2.93 0.00 0.00 61.98 58.20 3ifb s VAL 114 Cb -0.13 -3.74 0.01 0.00 -1.53 0.00 0.00 36.38 31.00 3ifb s VAL 114 CO 0.02 -0.33 0.05 -1.58 -3.33 0.00 0.00 175.10 169.94 3ifb s GLN 115 N -4.11 0.04 -0.24 1.54 2.00 -0.97 -2.20 119.66 115.72 3ifb s GLN 115 Ca 0.38 0.12 -0.03 0.00 -2.00 0.00 0.00 55.36 53.83 3ifb s GLN 115 Cb -0.09 -0.04 0.08 0.00 0.80 0.00 0.00 33.01 33.75 3ifb s GLN 115 CO 0.31 -0.05 0.08 0.95 -0.50 0.00 0.00 175.29 176.08 3ifb s THR 116 N 0.32 0.33 0.19 -0.34 -4.23 -0.81 -0.52 115.64 110.59 3ifb s THR 116 Ca -0.02 -0.70 -0.00 0.00 -1.18 0.00 0.00 61.69 59.78 3ifb s THR 116 Cb -0.04 -1.06 -0.04 0.00 1.34 0.00 0.00 72.50 72.70 3ifb s THR 116 CO -0.01 -0.44 0.36 -0.31 -0.54 0.00 0.00 174.62 173.68 3ifb s TYR 117 N 1.92 3.48 -0.15 3.99 1.51 -0.11 -0.67 117.35 127.32 3ifb s TYR 117 Ca 0.04 0.29 -0.04 0.00 -1.01 0.00 0.00 57.07 56.35 3ifb s TYR 117 Cb -0.17 -1.81 0.06 0.00 -0.11 0.00 0.00 41.96 39.94 3ifb s TYR 117 CO -0.19 0.41 0.13 0.08 -1.11 0.00 0.00 175.55 174.88 3ifb s VAL 118 N -1.83 -0.17 -0.29 0.71 1.01 0.33 0.07 120.40 120.22 3ifb s VAL 118 Ca 0.38 -0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.34 3ifb s VAL 118 Cb -0.11 -0.52 0.09 0.00 0.00 0.00 0.00 36.38 35.84 3ifb s VAL 118 CO 0.29 -0.16 0.05 -0.47 0.00 0.00 0.00 175.10 174.81 3ifb s TYR 119 N 2.21 2.22 0.00 5.22 5.04 -0.27 -1.12 117.35 130.65 3ifb s TYR 119 Ca 0.04 -1.92 0.00 0.00 -2.44 0.00 0.00 57.07 52.74 3ifb s TYR 119 Cb -0.15 -1.88 0.00 0.00 0.35 0.00 0.00 41.96 40.28 3ifb s TYR 119 CO -0.09 -0.85 0.00 0.39 -1.34 0.00 0.00 175.55 173.67 3ifb n GLU 120 N 4.70 -1.35 0.00 4.97 -0.58 -1.26 -2.09 120.64 125.04 3ifb n GLU 120 Ca -0.04 0.22 0.00 0.00 -0.42 0.00 0.00 57.16 56.92 3ifb n GLU 120 Cb 0.43 -3.82 0.00 0.00 -0.57 0.00 0.00 31.44 27.48 3ifb n GLU 120 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ifb n GLY 121 N 0.13 -0.71 3.27 0.62 0.00 -1.26 -5.16 105.19 102.09 3ifb n GLY 121 Ca 0.00 0.28 -0.26 0.00 0.00 0.00 0.00 46.02 46.04 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 1.76 -0.39 1.61 1.01 -0.89 -5.10 120.40 118.40 3ifb s VAL 122 Ca 0.00 -1.27 -0.11 0.00 0.00 0.00 0.00 61.98 60.60 3ifb s VAL 122 Cb 0.00 -1.53 0.04 0.00 0.00 0.00 0.00 36.38 34.89 3ifb s VAL 122 CO 0.00 0.21 0.23 -1.61 0.00 0.00 0.00 175.10 173.92 3ifb s GLU 123 N -1.27 2.79 0.30 2.72 2.02 -1.26 -1.11 118.70 122.90 3ifb s GLU 123 Ca 0.08 -1.16 0.01 0.00 0.02 0.00 0.00 54.97 53.92 3ifb s GLU 123 Cb -0.09 -3.77 -0.04 0.00 0.10 0.00 0.00 34.13 30.34 3ifb s GLU 123 CO 0.02 -0.76 0.49 0.00 0.02 0.00 0.00 175.26 175.03 3ifb s ALA 124 N 1.54 3.75 0.18 5.21 0.00 0.11 -4.61 121.76 127.94 3ifb s ALA 124 Ca 0.02 -0.92 -0.22 0.00 0.00 0.00 0.00 51.96 50.84 3ifb s ALA 124 Cb -0.20 -2.04 0.05 0.00 0.00 0.00 0.00 23.12 20.93 3ifb s ALA 124 CO 0.06 0.11 0.60 -1.59 0.00 0.00 0.00 175.76 174.94 3ifb s LYS 125 N -4.05 1.38 0.08 0.00 -2.85 -1.11 -0.94 119.74 112.24 3ifb s LYS 125 Ca 0.39 -0.63 0.02 0.00 -1.00 0.00 0.00 55.97 54.75 3ifb s LYS 125 Cb -0.10 0.58 -0.04 0.00 -2.06 0.00 0.00 37.83 36.21 3ifb s LYS 125 CO 0.33 -0.60 -0.07 1.03 0.10 0.00 0.00 175.35 176.14 3ifb s ARG 126 N -3.80 0.74 -0.15 1.78 3.00 0.32 0.87 118.95 121.72 3ifb s ARG 126 Ca 0.04 -1.17 0.01 0.00 0.00 0.00 0.00 55.73 54.61 3ifb s ARG 126 Cb -0.02 -0.22 0.02 0.00 0.00 0.00 0.00 34.95 34.73 3ifb s ARG 126 CO -0.08 -0.00 -0.18 0.42 0.00 0.00 0.00 175.30 175.46 3ifb s ILE 127 N -3.00 1.81 0.05 1.52 1.09 -0.83 -2.30 121.20 119.53 3ifb s ILE 127 Ca 0.06 -0.80 0.07 0.00 -1.10 0.00 0.00 60.65 58.88 3ifb s ILE 127 Cb 0.01 -1.64 -0.03 0.00 -1.06 0.00 0.00 42.46 39.74 3ifb s ILE 127 CO -0.03 0.50 -0.18 -0.36 -0.10 0.00 0.00 174.94 174.76 3ifb s PHE 128 N 1.16 2.55 0.04 3.97 0.40 -0.45 -1.19 117.98 124.47 3ifb s PHE 128 Ca -0.00 -0.26 -0.06 0.00 -0.60 0.00 0.00 56.93 56.01 3ifb s PHE 128 Cb -0.14 -1.45 -0.01 0.00 0.51 0.00 0.00 43.02 41.93 3ifb s PHE 128 CO -0.07 0.26 0.10 0.15 0.70 0.00 0.00 175.22 176.36 3ifb s LYS 129 N -1.50 0.60 1.01 0.44 1.02 0.48 -1.49 119.74 120.30 3ifb s LYS 129 Ca 0.15 -0.76 -0.19 0.00 0.02 0.00 0.00 55.97 55.19 3ifb s LYS 129 Cb -0.10 0.23 -0.07 0.00 -0.52 0.00 0.00 37.83 37.37 3ifb s LYS 129 CO 0.06 -0.15 -0.56 0.36 -0.92 0.00 0.00 175.35 174.14 3ifb n LYS 130 N 0.74 -0.38 0.00 1.68 0.00 -1.26 0.04 118.16 118.98 3ifb n LYS 130 Ca -0.19 -0.10 0.04 0.00 -0.00 0.00 0.00 58.31 58.06 3ifb n LYS 130 Cb 0.59 -1.33 0.03 0.00 -0.00 0.00 0.00 35.03 34.31 3ifb n LYS 130 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00