#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 -1.45 -3.19 0.00 7.35 -1.26 -4.92 117.46 113.99 3ifb n PHE 2 Ca 0.00 0.68 0.01 0.00 -0.76 0.00 0.00 57.45 57.39 3ifb n PHE 2 Cb 0.00 -3.20 -0.02 0.00 0.35 0.00 0.00 39.48 36.61 3ifb n PHE 2 CO 0.00 0.00 0.00 0.16 -0.76 0.00 0.00 176.76 176.16 3ifb s ASP 3 N -4.29 -1.14 0.11 -2.13 -4.77 -1.26 -4.46 116.67 98.73 3ifb s ASP 3 Ca 0.06 0.30 -0.25 0.00 -3.30 0.00 0.00 52.55 49.36 3ifb s ASP 3 Cb -0.04 1.87 0.07 0.00 -1.09 0.00 0.00 42.92 43.74 3ifb s ASP 3 CO 0.95 -0.30 0.82 -0.44 0.70 0.00 0.00 175.17 176.90 3ifb s SER 4 N 2.78 -0.35 0.08 2.11 0.01 -0.08 -4.96 113.70 113.30 3ifb s SER 4 Ca 0.13 -0.19 -0.29 0.00 1.31 0.00 0.00 55.95 56.91 3ifb s SER 4 Cb -0.12 0.51 -0.05 0.00 0.21 0.00 0.00 66.02 66.56 3ifb s SER 4 CO -0.25 -0.88 0.91 0.42 0.41 0.00 0.00 173.24 173.86 3ifb s THR 5 N -3.42 4.60 0.35 1.44 -4.23 -1.26 -1.08 115.64 112.04 3ifb s THR 5 Ca 0.07 1.96 0.09 0.00 -1.18 0.00 0.00 61.69 62.63 3ifb s THR 5 Cb -0.02 -4.27 -0.06 0.00 1.34 0.00 0.00 72.50 69.49 3ifb s THR 5 CO -0.05 0.31 -0.04 0.26 -0.54 0.00 0.00 174.62 174.56 3ifb s TRP 6 N 0.11 2.47 0.10 3.99 0.52 0.46 -3.83 118.94 122.76 3ifb s TRP 6 Ca 0.45 -0.49 -0.13 0.00 0.02 0.00 0.00 56.10 55.95 3ifb s TRP 6 Cb -0.22 -1.46 0.02 0.00 -1.15 0.00 0.00 33.47 30.66 3ifb s TRP 6 CO 0.28 0.53 0.32 -1.59 0.02 0.00 0.00 176.95 176.50 3ifb s LYS 7 N -3.66 0.96 0.32 4.98 0.00 -0.72 -2.39 119.74 119.24 3ifb s LYS 7 Ca 0.34 -0.78 -0.29 0.00 0.00 0.00 0.00 55.97 55.24 3ifb s LYS 7 Cb 0.02 0.41 -0.11 0.00 0.00 0.00 0.00 37.83 38.15 3ifb s LYS 7 CO 0.18 -0.35 1.58 1.55 0.00 0.00 0.00 175.35 178.31 3ifb n VAL 8 N -0.09 1.31 -0.03 1.79 3.14 0.33 -1.56 118.33 123.22 3ifb n VAL 8 Ca -0.16 -0.33 -0.04 0.00 -2.96 0.00 0.00 64.34 60.86 3ifb n VAL 8 Cb 0.63 -1.99 -0.01 0.00 -1.06 0.00 0.00 33.84 31.41 3ifb n VAL 8 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 3ifb n ASP 9 N 1.67 0.90 -4.46 6.55 2.03 -0.03 -4.78 116.55 118.42 3ifb n ASP 9 Ca 0.06 0.15 -0.22 0.00 0.52 0.00 0.00 54.79 55.30 3ifb n ASP 9 Cb 0.38 -0.52 -0.11 0.00 -0.72 0.00 0.00 41.12 40.15 3ifb n ASP 9 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 3ifb s ARG 10 N -1.88 1.65 0.05 -0.67 1.81 -0.81 -5.00 118.95 114.10 3ifb s ARG 10 Ca -0.11 -1.90 -0.19 0.00 -1.72 0.00 0.00 55.73 51.81 3ifb s ARG 10 Cb 0.02 -1.01 0.04 0.00 -0.45 0.00 0.00 34.95 33.54 3ifb s ARG 10 CO 0.17 -0.11 0.43 -1.12 -0.68 0.00 0.00 175.30 173.99 3ifb s SER 11 N -3.49 -0.31 -0.05 0.23 0.01 -1.26 -1.90 113.70 106.92 3ifb s SER 11 Ca 0.34 0.02 -0.11 0.00 1.31 0.00 0.00 55.95 57.51 3ifb s SER 11 Cb 0.08 0.44 0.02 0.00 0.21 0.00 0.00 66.02 66.77 3ifb s SER 11 CO 0.15 -0.68 0.27 -1.83 0.41 0.00 0.00 173.24 171.55 3ifb s GLU 12 N -2.50 0.50 -1.22 12.44 -1.05 -0.55 -4.76 118.70 121.55 3ifb s GLU 12 Ca -0.05 -0.00 -0.10 0.00 -0.15 0.00 0.00 54.97 54.67 3ifb s GLU 12 Cb -0.01 0.22 0.10 0.00 -0.44 0.00 0.00 34.13 34.01 3ifb s GLU 12 CO -0.02 -0.11 0.25 0.09 0.95 0.00 0.00 175.26 176.41 3ifb n ASN 13 N 1.96 -0.50 0.00 0.83 3.02 -1.26 -2.32 115.26 116.99 3ifb n ASN 13 Ca -0.18 -0.88 -0.07 0.00 -0.03 0.00 0.00 54.58 53.42 3ifb n ASN 13 Cb 0.57 -1.11 -0.13 0.00 -0.61 0.00 0.00 39.78 38.50 3ifb n ASN 13 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 3ifb h TYR 14 N -0.74 0.00 0.15 3.10 3.20 -1.86 -2.29 116.97 118.54 3ifb h TYR 14 Ca -0.43 0.00 -0.36 0.00 3.14 0.00 0.00 58.73 61.08 3ifb h TYR 14 Cb 0.97 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.24 3ifb h TYR 14 CO 0.44 0.95 -1.86 0.38 -1.64 0.00 0.00 178.16 176.43 3ifb h ASP 15 N 0.00 0.51 -0.44 -2.11 2.03 -1.97 -2.22 116.42 112.21 3ifb h ASP 15 Ca -0.22 -0.92 0.09 0.00 -0.73 0.00 0.00 57.03 55.25 3ifb h ASP 15 Cb 1.92 -0.17 -0.09 0.00 -0.83 0.00 0.00 39.33 40.16 3ifb h ASP 15 CO 0.08 1.80 -0.21 0.50 -1.03 0.00 0.00 179.24 180.38 3ifb h LYS 16 N 0.09 -0.12 -0.17 4.15 1.63 -1.95 0.40 116.57 120.60 3ifb h LYS 16 Ca -0.38 0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.43 3ifb h LYS 16 Cb 2.07 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 33.72 3ifb h LYS 16 CO 0.14 -0.08 0.09 0.35 -3.45 0.00 0.00 179.45 176.50 3ifb h PHE 17 N -0.12 0.23 -0.59 1.91 3.04 -1.50 -2.29 116.94 117.63 3ifb h PHE 17 Ca 0.21 -0.01 -0.03 0.00 3.98 0.00 0.00 57.97 62.13 3ifb h PHE 17 Cb 0.45 -0.07 -0.03 0.00 2.56 0.00 0.00 35.95 38.86 3ifb h PHE 17 CO -0.47 0.22 0.25 0.52 -2.02 0.00 0.00 178.31 176.81 3ifb h MET 18 N 0.18 0.87 -0.89 1.11 2.86 -0.82 0.13 114.93 118.37 3ifb h MET 18 Ca 0.06 -0.15 0.24 0.00 -2.06 0.00 0.00 59.70 57.79 3ifb h MET 18 Cb 0.07 -0.14 -0.14 0.00 0.06 0.00 0.00 31.60 31.44 3ifb h MET 18 CO -0.01 0.74 0.27 1.49 1.06 0.00 0.00 176.91 180.46 3ifb h GLU 19 N 0.81 0.23 -0.01 1.72 4.81 0.03 0.96 114.58 123.12 3ifb h GLU 19 Ca 0.20 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 3ifb h GLU 19 Cb 0.18 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.51 3ifb h GLU 19 CO -0.02 0.15 0.00 1.63 -0.73 0.00 0.00 179.01 180.04 3ifb n LYS 20 N -5.20 1.48 0.05 1.92 5.02 0.23 -1.71 118.16 119.95 3ifb n LYS 20 Ca 0.22 -0.69 0.07 0.00 -2.02 0.00 0.00 58.31 55.89 3ifb n LYS 20 Cb 0.70 -1.48 0.33 0.00 -0.02 0.00 0.00 35.03 34.56 3ifb n LYS 20 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3ifb n MET 21 N -0.16 0.06 -2.99 1.97 2.81 0.33 -4.86 117.12 114.28 3ifb n MET 21 Ca 0.20 0.37 -0.12 0.00 -1.81 0.00 0.00 57.70 56.34 3ifb n MET 21 Cb 0.28 -1.64 0.06 0.00 -0.71 0.00 0.00 33.22 31.22 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 -0.36 -0.40 0.00 3.03 0.00 -0.69 -5.04 105.19 101.73 3ifb n GLY 22 Ca 0.02 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3ifb n GLY 22 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3ifb n VAL 23 N -3.16 0.00 -3.86 1.61 3.14 -1.20 -5.10 118.33 109.76 3ifb n VAL 23 Ca -0.15 0.00 -0.09 0.00 -2.96 0.00 0.00 64.34 61.14 3ifb n VAL 23 Cb 0.61 -0.64 -0.07 0.00 -1.06 0.00 0.00 33.84 32.68 3ifb n VAL 23 CO 0.00 0.00 0.00 0.21 -6.46 0.00 0.00 176.83 170.58 3ifb s ASN 24 N -1.00 0.12 0.21 6.55 2.47 -1.26 -5.00 114.94 117.03 3ifb s ASN 24 Ca 0.00 -0.63 -0.10 0.00 0.42 0.00 0.00 52.86 52.55 3ifb s ASN 24 Cb 0.00 0.33 0.30 0.00 -1.45 0.00 0.00 41.25 40.44 3ifb s ASN 24 CO 0.00 -0.71 1.28 0.00 -3.72 0.00 0.00 177.10 173.95 3ifb n ILE 25 N 0.00 -0.38 0.14 -5.21 3.06 -1.26 -0.31 119.36 115.40 3ifb n ILE 25 Ca -0.15 1.90 0.01 0.00 -2.50 0.00 0.00 62.75 62.01 3ifb n ILE 25 Cb 0.62 -2.58 0.14 0.00 0.54 0.00 0.00 39.64 38.36 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 1.17 -0.06 9.51 2.07 -1.98 -0.35 116.25 126.61 3ifb h VAL 26 Ca 0.35 -2.19 0.04 0.00 0.82 0.00 0.00 66.70 65.72 3ifb h VAL 26 Cb 0.56 2.27 -0.06 0.00 -1.52 0.00 0.00 31.29 32.54 3ifb h VAL 26 CO -0.84 0.57 -0.33 0.11 0.02 0.00 0.00 177.57 177.11 3ifb h LYS 27 N 0.00 -0.43 -0.52 1.57 6.56 -1.07 -1.64 116.57 121.03 3ifb h LYS 27 Ca -0.01 0.03 0.09 0.00 -1.06 0.00 0.00 60.65 59.70 3ifb h LYS 27 Cb 1.22 0.10 -0.03 0.00 -0.57 0.00 0.00 32.23 32.95 3ifb h LYS 27 CO 0.08 -0.29 0.35 0.00 -2.06 0.00 0.00 179.45 177.53 3ifb h ARG 28 N -0.44 0.31 0.00 3.15 3.08 -0.94 0.50 114.38 120.04 3ifb h ARG 28 Ca 0.08 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.11 3ifb h ARG 28 Cb 0.56 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.54 3ifb h ARG 28 CO -0.31 0.21 0.00 0.87 -1.07 0.00 0.00 179.97 179.67 3ifb h LYS 29 N 0.32 0.00 0.00 0.04 1.79 -0.14 0.19 116.57 118.77 3ifb h LYS 29 Ca 0.24 0.00 -0.33 0.00 -2.18 0.00 0.00 60.65 58.38 3ifb h LYS 29 Cb 0.52 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.11 3ifb h LYS 29 CO -0.06 0.00 -2.27 1.47 -1.08 0.00 0.00 179.45 177.52 3ifb n LEU 30 N -2.74 0.00 -0.30 2.94 -0.00 -0.16 -4.41 117.00 112.33 3ifb n LEU 30 Ca 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 56.01 56.11 3ifb n LEU 30 Cb 0.20 0.45 0.33 0.00 -0.00 0.00 0.00 43.42 44.40 3ifb n LEU 30 CO 0.21 0.45 1.23 0.00 -0.00 0.00 0.00 177.39 179.28 3ifb h ALA 31 N 0.93 1.71 -0.18 1.47 0.00 0.90 0.73 119.26 124.82 3ifb h ALA 31 Ca -0.50 0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.48 3ifb h ALA 31 Cb 2.13 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 19.72 3ifb h ALA 31 CO 0.03 0.06 -0.00 0.00 0.00 0.00 0.00 179.25 179.33 3ifb n ALA 32 N -2.40 0.09 -2.36 0.00 0.00 0.56 -1.72 120.51 114.68 3ifb n ALA 32 Ca 0.17 0.20 0.04 0.00 0.00 0.00 0.00 53.44 53.85 3ifb n ALA 32 Cb 0.41 -0.14 0.03 0.00 0.00 0.00 0.00 19.45 19.75 3ifb n ALA 32 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 3ifb n HIS 33 N -4.05 0.00 -0.09 0.00 1.44 0.24 -4.82 115.22 107.94 3ifb n HIS 33 Ca 0.04 -0.49 -0.23 0.00 -2.01 0.00 0.00 57.72 55.03 3ifb n HIS 33 Cb 0.13 -0.14 -0.12 0.00 0.12 0.00 0.00 29.99 29.98 3ifb n HIS 33 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 3ifb n ASP 34 N 0.31 1.99 -0.06 4.39 8.00 0.04 -4.99 116.55 126.22 3ifb n ASP 34 Ca 0.06 0.20 0.01 0.00 0.71 0.00 0.00 54.79 55.77 3ifb n ASP 34 Cb 1.05 -0.77 -0.00 0.00 -0.02 0.00 0.00 41.12 41.38 3ifb n ASP 34 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3ifb n ASN 35 N -3.83 -0.37 -3.56 -2.24 5.03 -1.26 -3.26 115.26 105.78 3ifb n ASN 35 Ca -0.41 0.03 -0.15 0.00 0.87 0.00 0.00 54.58 54.92 3ifb n ASN 35 Cb 0.91 -0.19 -0.06 0.00 -1.02 0.00 0.00 39.78 39.42 3ifb n ASN 35 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 3ifb s LEU 36 N -2.63 -0.57 0.00 3.41 1.98 -1.26 -4.22 118.68 115.39 3ifb s LEU 36 Ca 0.00 0.72 -0.07 0.00 -2.89 0.00 0.00 54.13 51.89 3ifb s LEU 36 Cb 0.00 2.29 0.03 0.00 0.66 0.00 0.00 46.19 49.17 3ifb s LEU 36 CO 0.00 -0.46 0.49 2.29 -1.89 0.00 0.00 176.35 176.79 3ifb n LYS 37 N 1.16 0.71 -4.28 1.98 2.85 0.12 -0.51 118.16 120.19 3ifb n LYS 37 Ca -0.15 -1.75 -0.23 0.00 -1.05 0.00 0.00 58.31 55.13 3ifb n LYS 37 Cb 0.57 1.98 -0.12 0.00 -0.65 0.00 0.00 35.03 36.81 3ifb n LYS 37 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 3ifb s LEU 38 N 0.00 2.31 -0.39 -5.58 1.98 -1.00 -2.24 118.68 113.75 3ifb s LEU 38 Ca 0.15 -0.70 -0.06 0.00 -2.89 0.00 0.00 54.13 50.62 3ifb s LEU 38 Cb -0.03 -0.84 0.08 0.00 0.66 0.00 0.00 46.19 46.06 3ifb s LEU 38 CO 0.11 0.03 0.20 -0.89 -1.89 0.00 0.00 176.35 173.91 3ifb s THR 39 N -1.28 3.79 0.08 3.68 2.01 0.10 -0.41 115.64 123.61 3ifb s THR 39 Ca 0.07 -1.55 -0.04 0.00 0.31 0.00 0.00 61.69 60.48 3ifb s THR 39 Cb -0.09 -3.36 -0.05 0.00 0.01 0.00 0.00 72.50 69.01 3ifb s THR 39 CO 0.04 -0.48 0.30 -0.51 -0.69 0.00 0.00 174.62 173.29 3ifb s ILE 40 N 1.33 5.26 -0.38 1.82 2.07 -0.24 -1.22 121.20 129.84 3ifb s ILE 40 Ca 0.03 -0.03 0.07 0.00 -1.41 0.00 0.00 60.65 59.31 3ifb s ILE 40 Cb -0.22 -3.61 0.18 0.00 0.13 0.00 0.00 42.46 38.94 3ifb s ILE 40 CO 0.00 0.17 0.62 -0.89 -1.91 0.00 0.00 174.94 172.93 3ifb s THR 41 N -1.51 -0.99 0.79 4.00 2.01 -0.70 -0.90 115.64 118.34 3ifb s THR 41 Ca 0.35 0.00 -0.11 0.00 0.31 0.00 0.00 61.69 62.24 3ifb s THR 41 Cb -0.13 -0.21 0.07 0.00 0.01 0.00 0.00 72.50 72.24 3ifb s THR 41 CO 0.23 0.00 1.09 -1.10 -0.69 0.00 0.00 174.62 174.14 3ifb s GLN 42 N 2.06 2.11 0.00 4.92 -0.21 -1.26 -2.20 119.66 125.08 3ifb s GLN 42 Ca 0.15 0.87 0.00 0.00 0.02 0.00 0.00 55.36 56.39 3ifb s GLN 42 Cb -0.05 -1.90 0.00 0.00 1.00 0.00 0.00 33.01 32.05 3ifb s GLN 42 CO -0.11 -1.66 0.00 0.39 -2.12 0.00 0.00 175.29 171.79 3ifb n GLU 43 N -3.50 0.00 -1.37 2.91 -0.58 -0.68 -4.88 120.64 112.54 3ifb n GLU 43 Ca 0.08 0.00 -0.19 0.00 -0.42 0.00 0.00 57.16 56.63 3ifb n GLU 43 Cb 0.55 0.00 -0.20 0.00 -0.57 0.00 0.00 31.44 31.22 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 0.00 -0.43 2.76 0.62 0.00 -1.26 -0.69 105.19 106.19 3ifb n GLY 44 Ca 0.00 -0.01 -0.17 0.00 0.00 0.00 0.00 46.02 45.84 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 5.10 -4.31 -3.97 1.61 6.94 -1.26 -4.93 115.26 114.43 3ifb n ASN 45 Ca 0.59 -0.04 -0.18 0.00 -0.02 0.00 0.00 54.58 54.92 3ifb n ASN 45 Cb 0.16 -3.60 -0.09 0.00 -2.36 0.00 0.00 39.78 33.89 3ifb n ASN 45 CO 0.00 0.00 0.00 -1.59 -1.03 0.00 0.00 177.26 174.64 3ifb s LYS 46 N -5.39 1.56 -0.20 -3.83 -2.85 0.13 -4.59 119.74 104.57 3ifb s LYS 46 Ca 0.15 -1.88 -0.03 0.00 -1.00 0.00 0.00 55.97 53.20 3ifb s LYS 46 Cb -0.07 -0.02 0.07 0.00 -2.06 0.00 0.00 37.83 35.74 3ifb s LYS 46 CO 0.18 -0.46 0.06 -0.06 0.10 0.00 0.00 175.35 175.18 3ifb s PHE 47 N -3.66 0.74 -0.55 1.78 0.40 0.51 -1.69 117.98 115.52 3ifb s PHE 47 Ca 0.37 -0.74 -0.19 0.00 -0.60 0.00 0.00 56.93 55.77 3ifb s PHE 47 Cb 0.05 -0.95 0.08 0.00 0.51 0.00 0.00 43.02 42.71 3ifb s PHE 47 CO 0.18 -0.61 0.65 0.99 0.70 0.00 0.00 175.22 177.12 3ifb s THR 48 N 1.95 4.87 -0.81 0.64 2.01 -0.94 -1.40 115.64 121.97 3ifb s THR 48 Ca 0.01 -0.79 -0.08 0.00 0.31 0.00 0.00 61.69 61.14 3ifb s THR 48 Cb -0.17 -4.39 0.21 0.00 0.01 0.00 0.00 72.50 68.17 3ifb s THR 48 CO -0.12 -0.96 0.71 -0.69 -0.69 0.00 0.00 174.62 172.88 3ifb s VAL 49 N 2.59 4.91 -0.75 3.82 1.01 -0.93 -1.73 120.40 129.32 3ifb s VAL 49 Ca 0.12 -2.93 -0.24 0.00 0.00 0.00 0.00 61.98 58.93 3ifb s VAL 49 Cb -0.22 -4.06 0.06 0.00 0.00 0.00 0.00 36.38 32.15 3ifb s VAL 49 CO 0.09 -1.01 1.16 -0.75 0.00 0.00 0.00 175.10 174.58 3ifb s LYS 50 N -0.30 3.23 -0.09 2.72 2.20 -0.35 -1.78 119.74 125.37 3ifb s LYS 50 Ca 0.20 -0.70 -0.02 0.00 -0.36 0.00 0.00 55.97 55.09 3ifb s LYS 50 Cb -0.13 -4.39 -0.03 0.00 -1.51 0.00 0.00 37.83 31.77 3ifb s LYS 50 CO -0.08 -1.99 0.00 -2.00 -0.36 0.00 0.00 175.35 170.93 3ifb s GLU 51 N 4.72 3.06 0.15 4.03 2.56 0.14 0.01 118.70 133.38 3ifb s GLU 51 Ca 0.31 -0.41 -0.20 0.00 0.00 0.00 0.00 54.97 54.66 3ifb s GLU 51 Cb -0.11 -2.81 0.05 0.00 2.00 0.00 0.00 34.13 33.26 3ifb s GLU 51 CO 0.08 0.66 0.52 0.45 -0.56 0.00 0.00 175.26 176.41 3ifb s SER 52 N -0.75 -0.42 0.34 -1.70 0.15 -0.95 0.18 113.70 110.55 3ifb s SER 52 Ca 0.12 -0.15 -0.13 0.00 0.70 0.00 0.00 55.95 56.49 3ifb s SER 52 Cb -0.12 0.55 0.03 0.00 -1.71 0.00 0.00 66.02 64.77 3ifb s SER 52 CO 0.02 -0.93 0.66 -0.55 1.20 0.00 0.00 173.24 173.65 3ifb s SER 53 N -2.78 0.17 0.46 5.45 0.15 -1.20 -0.71 113.70 115.25 3ifb s SER 53 Ca 0.02 -1.12 0.15 0.00 0.70 0.00 0.00 55.95 55.70 3ifb s SER 53 Cb 0.00 0.75 1.09 0.00 -1.71 0.00 0.00 66.02 66.16 3ifb s SER 53 CO -0.12 -1.48 2.02 0.00 1.20 0.00 0.00 173.24 174.86 3ifb h ALA 54 N 2.06 2.04 0.01 5.45 0.00 -1.72 -2.47 119.26 124.62 3ifb h ALA 54 Ca -0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3ifb h ALA 54 Cb 1.25 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 3ifb h ALA 54 CO 0.37 -0.14 -0.06 0.74 0.00 0.00 0.00 179.25 180.16 3ifb h PHE 55 N 0.31 -0.17 -1.34 0.00 0.04 -1.90 -3.48 116.94 110.41 3ifb h PHE 55 Ca 0.21 0.00 0.15 0.00 2.80 0.00 0.00 57.97 61.13 3ifb h PHE 55 Cb 0.44 0.07 -0.26 0.00 2.20 0.00 0.00 35.95 38.40 3ifb h PHE 55 CO -0.00 -0.07 0.71 0.50 -0.60 0.00 0.00 178.31 178.86 3ifb s ARG 56 N -3.31 0.34 0.15 1.51 6.06 -0.93 -4.88 118.95 117.90 3ifb s ARG 56 Ca -0.02 0.14 -0.30 0.00 -2.50 0.00 0.00 55.73 53.05 3ifb s ARG 56 Cb 0.01 0.16 -0.07 0.00 0.06 0.00 0.00 34.95 35.11 3ifb s ARG 56 CO 0.07 -0.09 1.20 0.54 -2.50 0.00 0.00 175.30 174.52 3ifb s ASN 57 N -0.80 7.08 -0.09 -2.12 4.22 -1.26 -3.21 114.94 118.75 3ifb s ASN 57 Ca 0.03 2.17 0.03 0.00 -2.14 0.00 0.00 52.86 52.95 3ifb s ASN 57 Cb -0.02 -2.60 -0.01 0.00 1.28 0.00 0.00 41.25 39.90 3ifb s ASN 57 CO -0.04 -0.41 -0.18 -0.63 -2.04 0.00 0.00 177.10 173.79 3ifb s ILE 58 N 0.32 2.62 -0.18 0.54 -1.09 0.13 -4.99 121.20 118.54 3ifb s ILE 58 Ca 0.55 -0.84 -0.18 0.00 -2.23 0.00 0.00 60.65 57.95 3ifb s ILE 58 Cb -0.32 -2.04 -0.03 0.00 -1.58 0.00 0.00 42.46 38.49 3ifb s ILE 58 CO 0.34 0.55 0.50 -0.70 -1.23 0.00 0.00 174.94 174.40 3ifb s GLU 59 N 0.03 4.22 -0.63 2.79 2.12 -1.26 -0.68 118.70 125.28 3ifb s GLU 59 Ca -0.07 0.39 0.05 0.00 0.36 0.00 0.00 54.97 55.70 3ifb s GLU 59 Cb -0.15 -3.54 0.17 0.00 0.26 0.00 0.00 34.13 30.87 3ifb s GLU 59 CO 0.05 -0.08 0.45 0.08 -0.54 0.00 0.00 175.26 175.22 3ifb s VAL 60 N 1.41 2.39 0.18 3.70 1.01 -0.73 -4.95 120.40 123.41 3ifb s VAL 60 Ca 0.24 -3.89 -0.19 0.00 0.00 0.00 0.00 61.98 58.14 3ifb s VAL 60 Cb -0.15 -2.58 -0.08 0.00 0.00 0.00 0.00 36.38 33.56 3ifb s VAL 60 CO 0.10 -1.03 0.68 0.54 0.00 0.00 0.00 175.10 175.39 3ifb s VAL 61 N -1.07 4.62 0.09 2.92 0.11 -1.26 -2.19 120.40 123.62 3ifb s VAL 61 Ca 0.25 1.24 -0.21 0.00 -2.93 0.00 0.00 61.98 60.33 3ifb s VAL 61 Cb -0.05 -3.87 0.05 0.00 -1.53 0.00 0.00 36.38 30.98 3ifb s VAL 61 CO -0.16 0.29 0.52 0.72 -3.33 0.00 0.00 175.10 173.14 3ifb s PHE 62 N -1.42 -0.41 -0.02 1.54 -0.12 -0.49 -4.97 117.98 112.08 3ifb s PHE 62 Ca 0.39 0.32 0.08 0.00 -0.05 0.00 0.00 56.93 57.67 3ifb s PHE 62 Cb -0.17 0.38 -0.12 0.00 -0.63 0.00 0.00 43.02 42.48 3ifb s PHE 62 CO 0.21 -0.71 0.15 -1.91 -0.05 0.00 0.00 175.22 172.91 3ifb n GLU 63 N 0.06 0.76 0.00 1.99 2.13 -1.26 -0.36 120.64 123.96 3ifb n GLU 63 Ca -0.17 -0.06 0.00 0.00 0.66 0.00 0.00 57.16 57.58 3ifb n GLU 63 Cb 0.62 -1.20 0.00 0.00 0.27 0.00 0.00 31.44 31.13 3ifb n GLU 63 CO 0.00 0.00 0.00 1.47 -0.41 0.00 0.00 177.13 178.19 3ifb n LEU 64 N -1.89 0.00 -2.45 4.31 -0.00 -1.26 -4.26 117.00 111.45 3ifb n LEU 64 Ca -0.04 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 55.87 3ifb n LEU 64 Cb 0.33 0.00 0.05 0.00 -0.00 0.00 0.00 43.42 43.80 3ifb n LEU 64 CO 0.17 0.00 0.06 0.61 -0.00 0.00 0.00 177.39 178.24 3ifb n GLY 65 N 0.00 -0.05 3.21 1.47 0.00 0.13 -4.97 105.19 104.99 3ifb n GLY 65 Ca 0.00 -0.12 -0.24 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.22 1.49 0.08 1.61 1.01 -1.07 -4.94 120.40 115.37 3ifb s VAL 66 Ca 0.01 -1.07 0.04 0.00 0.00 0.00 0.00 61.98 60.97 3ifb s VAL 66 Cb -0.00 -1.30 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 3ifb s VAL 66 CO 0.44 0.20 -0.00 -0.89 0.00 0.00 0.00 175.10 174.85 3ifb s THR 67 N -0.73 4.03 0.15 3.92 2.01 -1.26 -2.36 115.64 121.39 3ifb s THR 67 Ca 0.06 -0.95 -0.25 0.00 0.31 0.00 0.00 61.69 60.87 3ifb s THR 67 Cb -0.08 -2.90 0.07 0.00 0.01 0.00 0.00 72.50 69.59 3ifb s THR 67 CO 0.01 0.15 1.00 0.72 -0.69 0.00 0.00 174.62 175.81 3ifb s PHE 68 N -1.28 -0.07 0.28 4.92 -0.12 -0.20 -4.98 117.98 116.53 3ifb s PHE 68 Ca 0.25 -0.24 -0.06 0.00 -0.05 0.00 0.00 56.93 56.83 3ifb s PHE 68 Cb -0.12 0.65 -0.06 0.00 -0.63 0.00 0.00 43.02 42.87 3ifb s PHE 68 CO 0.17 -0.82 0.56 -0.80 -0.05 0.00 0.00 175.22 174.29 3ifb s ASN 69 N -3.05 6.48 -0.02 1.98 -0.87 -1.26 -1.28 114.94 116.92 3ifb s ASN 69 Ca 0.15 0.77 -0.10 0.00 -1.57 0.00 0.00 52.86 52.11 3ifb s ASN 69 Cb -0.01 -2.17 0.01 0.00 -0.02 0.00 0.00 41.25 39.06 3ifb s ASN 69 CO 0.03 -0.18 0.22 -0.47 -2.57 0.00 0.00 177.10 174.13 3ifb s TYR 70 N -2.04 -0.09 -0.08 2.20 6.14 0.86 -4.93 117.35 119.40 3ifb s TYR 70 Ca 0.45 0.15 -0.05 0.00 0.64 0.00 0.00 57.07 58.26 3ifb s TYR 70 Cb -0.11 0.03 0.04 0.00 0.42 0.00 0.00 41.96 42.34 3ifb s TYR 70 CO 0.28 -0.30 0.20 1.21 0.64 0.00 0.00 175.55 177.58 3ifb s ASN 71 N -1.10 -0.19 0.67 4.32 3.84 -1.26 -1.27 114.94 119.95 3ifb s ASN 71 Ca -0.12 0.41 -0.11 0.00 0.21 0.00 0.00 52.86 53.25 3ifb s ASN 71 Cb -0.06 0.33 -0.01 0.00 -0.55 0.00 0.00 41.25 40.96 3ifb s ASN 71 CO 0.02 -0.13 1.06 -0.76 -2.79 0.00 0.00 177.10 174.51 3ifb s LEU 72 N 0.90 3.06 0.31 3.21 1.43 -0.89 -4.93 118.68 121.78 3ifb s LEU 72 Ca -0.07 1.31 0.12 0.00 -1.03 0.00 0.00 54.13 54.46 3ifb s LEU 72 Cb -0.08 -4.22 0.50 0.00 0.03 0.00 0.00 46.19 42.42 3ifb s LEU 72 CO -0.05 -1.15 1.68 0.00 0.23 0.00 0.00 176.35 177.06 3ifb h ALA 73 N -0.52 1.08 -0.19 4.21 0.00 -1.90 -3.20 119.26 118.73 3ifb h ALA 73 Ca -0.45 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 53.99 3ifb h ALA 73 Cb 1.22 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 3ifb h ALA 73 CO 0.62 0.65 0.09 0.22 0.00 0.00 0.00 179.25 180.84 3ifb h ASP 74 N 0.00 0.25 0.00 0.00 3.58 -1.96 -3.46 116.42 114.83 3ifb h ASP 74 Ca -0.01 -0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.33 3ifb h ASP 74 Cb 0.96 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.94 3ifb h ASP 74 CO 0.07 0.29 0.00 0.61 -2.88 0.00 0.00 179.24 177.33 3ifb n GLY 75 N -0.84 -0.37 3.08 -0.78 0.00 -1.21 -5.18 105.19 99.88 3ifb n GLY 75 Ca -0.04 0.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.89 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 0.42 0.21 2.61 2.01 -1.24 -4.98 115.64 114.67 3ifb s THR 76 Ca 0.00 -1.45 0.11 0.00 0.31 0.00 0.00 61.69 60.66 3ifb s THR 76 Cb 0.00 -1.05 -0.05 0.00 0.01 0.00 0.00 72.50 71.42 3ifb s THR 76 CO 0.00 -0.69 -0.19 -1.83 -0.69 0.00 0.00 174.62 171.22 3ifb s GLU 77 N -2.73 1.69 -0.29 4.92 -1.05 -1.26 -2.09 118.70 117.89 3ifb s GLU 77 Ca -0.01 -1.53 -0.19 0.00 -0.15 0.00 0.00 54.97 53.09 3ifb s GLU 77 Cb -0.02 -1.90 0.13 0.00 -0.44 0.00 0.00 34.13 31.90 3ifb s GLU 77 CO -0.04 0.39 0.95 -1.17 0.95 0.00 0.00 175.26 176.34 3ifb s LEU 78 N -2.93 -0.55 0.17 1.83 2.96 -0.39 -4.14 118.68 115.63 3ifb s LEU 78 Ca 0.24 0.92 0.07 0.00 -0.22 0.00 0.00 54.13 55.14 3ifb s LEU 78 Cb -0.07 1.87 -0.04 0.00 0.50 0.00 0.00 46.19 48.44 3ifb s LEU 78 CO 0.12 -0.15 -0.14 -0.13 -1.32 0.00 0.00 176.35 174.73 3ifb s ARG 79 N 1.06 1.21 0.15 1.98 0.52 -0.71 -0.10 118.95 123.06 3ifb s ARG 79 Ca -0.06 -1.46 -0.24 0.00 -0.52 0.00 0.00 55.73 53.44 3ifb s ARG 79 Cb -0.04 -1.03 0.07 0.00 0.52 0.00 0.00 34.95 34.48 3ifb s ARG 79 CO -0.13 0.18 1.02 0.20 0.02 0.00 0.00 175.30 176.59 3ifb s GLY 80 N -3.01 -0.12 0.31 -3.53 0.00 -0.40 0.40 107.32 100.97 3ifb s GLY 80 Ca 0.18 0.01 0.10 0.00 0.00 0.00 0.00 44.72 45.00 3ifb s GLY 80 CO 0.05 0.89 -0.13 -1.59 0.00 0.00 0.00 173.10 172.32 3ifb s THR 81 N -2.79 2.26 0.02 0.90 2.01 0.52 -1.03 115.64 117.53 3ifb s THR 81 Ca 0.16 -2.27 -0.03 0.00 0.31 0.00 0.00 61.69 59.87 3ifb s THR 81 Cb -0.01 -2.50 -0.02 0.00 0.01 0.00 0.00 72.50 69.98 3ifb s THR 81 CO 0.03 -0.29 0.03 0.26 -0.69 0.00 0.00 174.62 173.96 3ifb s TRP 82 N -2.62 0.24 0.19 4.92 0.52 -1.00 -1.89 118.94 119.31 3ifb s TRP 82 Ca 0.31 -0.52 -0.19 0.00 0.02 0.00 0.00 56.10 55.73 3ifb s TRP 82 Cb -0.00 -0.18 0.03 0.00 -1.15 0.00 0.00 33.47 32.18 3ifb s TRP 82 CO 0.15 -0.27 0.55 0.45 0.02 0.00 0.00 176.95 177.85 3ifb s SER 83 N -1.76 -0.31 -0.14 2.95 0.15 -0.83 0.20 113.70 113.96 3ifb s SER 83 Ca -0.11 -0.41 0.01 0.00 0.70 0.00 0.00 55.95 56.14 3ifb s SER 83 Cb -0.06 0.59 -0.00 0.00 -1.71 0.00 0.00 66.02 64.84 3ifb s SER 83 CO -0.02 -1.06 -0.16 -0.22 1.20 0.00 0.00 173.24 172.97 3ifb s LEU 84 N -2.86 2.46 -0.15 3.45 1.98 -1.26 -0.97 118.68 121.33 3ifb s LEU 84 Ca 0.08 -0.45 -0.11 0.00 -2.89 0.00 0.00 54.13 50.76 3ifb s LEU 84 Cb -0.01 -1.54 0.05 0.00 0.66 0.00 0.00 46.19 45.34 3ifb s LEU 84 CO -0.04 0.12 0.39 -1.83 -1.89 0.00 0.00 176.35 173.10 3ifb s GLU 85 N 0.59 0.41 -1.48 1.98 -1.05 -0.70 -4.91 118.70 113.54 3ifb s GLU 85 Ca -0.09 0.65 -0.12 0.00 -0.15 0.00 0.00 54.97 55.25 3ifb s GLU 85 Cb -0.16 0.10 0.06 0.00 -0.44 0.00 0.00 34.13 33.69 3ifb s GLU 85 CO 0.03 -0.11 0.99 0.41 0.95 0.00 0.00 175.26 177.54 3ifb n GLY 86 N 3.55 -0.51 3.10 -3.83 0.00 -1.26 -1.96 105.19 104.28 3ifb n GLY 86 Ca -0.18 0.20 -0.22 0.00 0.00 0.00 0.00 46.02 45.82 3ifb n GLY 86 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3ifb n ASN 87 N -2.83 -4.84 -3.75 1.61 3.02 -1.26 -4.97 115.26 102.24 3ifb n ASN 87 Ca 0.02 -0.28 -0.12 0.00 -0.03 0.00 0.00 54.58 54.18 3ifb n ASN 87 Cb 0.54 -3.96 -0.08 0.00 -0.61 0.00 0.00 39.78 35.67 3ifb n ASN 87 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 3ifb s LYS 88 N -5.76 0.79 0.08 3.52 -2.85 -0.83 -4.45 119.74 110.24 3ifb s LYS 88 Ca 0.31 -0.44 0.03 0.00 -1.00 0.00 0.00 55.97 54.86 3ifb s LYS 88 Cb -0.15 0.34 -0.04 0.00 -2.06 0.00 0.00 37.83 35.92 3ifb s LYS 88 CO 0.38 -0.25 0.11 -0.51 0.10 0.00 0.00 175.35 175.18 3ifb s LEU 89 N -1.92 3.91 -0.18 2.77 2.01 -0.39 -1.72 118.68 123.16 3ifb s LEU 89 Ca -0.07 0.04 0.00 0.00 0.01 0.00 0.00 54.13 54.12 3ifb s LEU 89 Cb -0.02 -2.57 0.04 0.00 0.01 0.00 0.00 46.19 43.65 3ifb s LEU 89 CO -0.02 0.17 -0.10 -0.63 1.01 0.00 0.00 176.35 176.78 3ifb s ILE 90 N -1.43 1.50 0.21 -0.59 1.01 -0.14 -2.37 121.20 119.38 3ifb s ILE 90 Ca 0.30 -0.81 0.02 0.00 0.00 0.00 0.00 60.65 60.16 3ifb s ILE 90 Cb -0.12 -1.55 -0.05 0.00 0.01 0.00 0.00 42.46 40.75 3ifb s ILE 90 CO 0.23 0.24 0.03 -0.83 0.00 0.00 0.00 174.94 174.61 3ifb s GLY 91 N 1.48 1.43 -0.02 6.18 0.00 -0.97 -1.97 107.32 113.44 3ifb s GLY 91 Ca 0.01 -1.70 -0.18 0.00 0.00 0.00 0.00 44.72 42.85 3ifb s GLY 91 CO -0.09 -1.57 0.38 1.25 0.00 0.00 0.00 173.10 173.07 3ifb s LYS 92 N -3.94 0.73 0.28 2.90 2.36 -0.79 -1.62 119.74 119.66 3ifb s LYS 92 Ca 0.29 -0.09 -0.03 0.00 -2.55 0.00 0.00 55.97 53.59 3ifb s LYS 92 Cb 0.06 0.33 -0.01 0.00 -1.05 0.00 0.00 37.83 37.16 3ifb s LYS 92 CO 0.08 -0.21 0.36 -0.06 1.55 0.00 0.00 175.35 177.07 3ifb s PHE 93 N -1.26 1.02 -0.28 4.03 0.40 0.11 -0.36 117.98 121.65 3ifb s PHE 93 Ca -0.13 -1.24 -0.16 0.00 -0.60 0.00 0.00 56.93 54.80 3ifb s PHE 93 Cb -0.04 -0.22 0.09 0.00 0.51 0.00 0.00 43.02 43.35 3ifb s PHE 93 CO 0.05 -0.95 0.74 0.21 0.70 0.00 0.00 175.22 175.97 3ifb s LYS 94 N -3.60 0.66 0.73 0.44 2.20 0.16 -0.26 119.74 120.09 3ifb s LYS 94 Ca 0.32 1.13 -0.12 0.00 -0.36 0.00 0.00 55.97 56.94 3ifb s LYS 94 Cb 0.02 0.14 0.03 0.00 -1.51 0.00 0.00 37.83 36.51 3ifb s LYS 94 CO 0.17 -0.14 1.09 1.03 -0.36 0.00 0.00 175.35 177.14 3ifb s ARG 95 N 1.52 2.51 -0.29 4.03 1.81 -0.44 -1.74 118.95 126.36 3ifb s ARG 95 Ca -0.09 1.18 0.17 0.00 -1.72 0.00 0.00 55.73 55.27 3ifb s ARG 95 Cb -0.05 -1.93 0.48 0.00 -0.45 0.00 0.00 34.95 33.01 3ifb s ARG 95 CO -0.18 -1.45 1.09 -2.37 -0.68 0.00 0.00 175.30 171.72 3ifb n THR 96 N -3.17 1.58 0.03 0.02 5.66 -1.26 -3.57 114.28 113.57 3ifb n THR 96 Ca 0.09 -3.41 0.00 0.00 -3.05 0.00 0.00 64.05 57.68 3ifb n THR 96 Cb 0.53 0.42 0.00 0.00 -1.55 0.00 0.00 70.33 69.73 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 -0.50 -0.07 0.23 1.09 -0.08 -1.26 -4.79 116.55 111.17 3ifb n ASP 97 Ca 0.18 0.09 -0.17 0.00 -1.51 0.00 0.00 54.79 53.39 3ifb n ASP 97 Cb 0.83 0.12 -0.09 0.00 2.34 0.00 0.00 41.12 44.32 3ifb n ASP 97 CO 0.00 0.00 0.00 0.78 0.12 0.00 0.00 177.20 178.10 3ifb h ASN 98 N 0.00 -1.36 -1.25 1.67 2.35 -1.96 -3.49 115.58 111.53 3ifb h ASN 98 Ca 0.00 0.12 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 3ifb h ASN 98 Cb 0.00 0.47 0.00 0.00 0.05 0.00 0.00 38.32 38.84 3ifb h ASN 98 CO 0.00 -0.61 0.00 0.61 -1.65 0.00 0.00 177.43 175.78 3ifb n GLY 99 N -1.53 0.51 3.27 2.83 0.00 -1.24 -5.10 105.19 103.93 3ifb n GLY 99 Ca -0.10 -0.54 -0.11 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.12 -0.14 0.22 1.61 2.20 -1.23 -5.00 114.94 110.48 3ifb s ASN 100 Ca 0.00 -0.22 -0.13 0.00 -0.94 0.00 0.00 52.86 51.57 3ifb s ASN 100 Cb 0.00 0.38 -0.08 0.00 -2.00 0.00 0.00 41.25 39.55 3ifb s ASN 100 CO 0.00 -0.66 0.60 -1.61 -2.94 0.00 0.00 177.10 172.49 3ifb s GLU 101 N -2.81 3.95 0.14 3.55 2.02 -1.26 -1.32 118.70 122.97 3ifb s GLU 101 Ca -0.03 0.49 0.09 0.00 0.02 0.00 0.00 54.97 55.54 3ifb s GLU 101 Cb -0.00 -2.72 -0.04 0.00 0.10 0.00 0.00 34.13 31.46 3ifb s GLU 101 CO -0.05 0.35 -0.15 -1.17 0.02 0.00 0.00 175.26 174.26 3ifb s LEU 102 N -2.47 2.79 -0.36 1.80 0.20 0.64 -3.12 118.68 118.16 3ifb s LEU 102 Ca 0.45 -0.58 0.01 0.00 0.69 0.00 0.00 54.13 54.69 3ifb s LEU 102 Cb -0.13 -1.56 0.11 0.00 -0.43 0.00 0.00 46.19 44.18 3ifb s LEU 102 CO 0.20 0.15 0.15 0.20 -0.29 0.00 0.00 176.35 176.76 3ifb s ASN 103 N -2.42 3.93 0.67 3.68 0.01 0.26 0.09 114.94 121.16 3ifb s ASN 103 Ca 0.21 -2.07 -0.10 0.00 -0.71 0.00 0.00 52.86 50.18 3ifb s ASN 103 Cb -0.10 -0.99 0.01 0.00 0.41 0.00 0.00 41.25 40.58 3ifb s ASN 103 CO 0.12 -0.35 1.04 0.42 -1.51 0.00 0.00 177.10 176.82 3ifb s THR 104 N 1.06 3.69 -0.28 1.60 -4.23 -0.64 -1.42 115.64 115.42 3ifb s THR 104 Ca 0.13 0.42 -0.22 0.00 -1.18 0.00 0.00 61.69 60.83 3ifb s THR 104 Cb -0.20 -3.52 0.08 0.00 1.34 0.00 0.00 72.50 70.20 3ifb s THR 104 CO -0.13 -0.66 0.77 0.54 -0.54 0.00 0.00 174.62 174.60 3ifb s VAL 105 N -3.25 0.00 0.22 2.29 0.11 -0.13 -2.30 120.40 117.35 3ifb s VAL 105 Ca 0.57 0.00 0.11 0.00 -2.93 0.00 0.00 61.98 59.73 3ifb s VAL 105 Cb -0.11 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.70 3ifb s VAL 105 CO 0.50 0.00 -0.19 -0.13 -3.33 0.00 0.00 175.10 171.96 3ifb s ARG 106 N 0.71 1.71 -0.10 1.54 0.52 -1.00 -0.98 118.95 121.35 3ifb s ARG 106 Ca -0.02 -1.54 -0.30 0.00 -0.52 0.00 0.00 55.73 53.34 3ifb s ARG 106 Cb -0.05 -1.90 0.09 0.00 0.52 0.00 0.00 34.95 33.61 3ifb s ARG 106 CO -0.06 0.38 0.77 -2.00 0.02 0.00 0.00 175.30 174.42 3ifb s GLU 107 N -2.99 0.91 -0.52 3.54 2.12 -0.86 -1.27 118.70 119.63 3ifb s GLU 107 Ca 0.25 0.29 -0.10 0.00 0.36 0.00 0.00 54.97 55.76 3ifb s GLU 107 Cb -0.07 0.43 0.13 0.00 0.26 0.00 0.00 34.13 34.88 3ifb s GLU 107 CO 0.13 -0.27 0.41 -1.50 -0.54 0.00 0.00 175.26 173.49 3ifb s ILE 108 N -1.03 4.43 0.26 -3.70 1.10 -1.26 -0.57 121.20 120.42 3ifb s ILE 108 Ca -0.08 -1.90 0.12 0.00 -0.51 0.00 0.00 60.65 58.28 3ifb s ILE 108 Cb -0.01 -3.89 -0.05 0.00 0.15 0.00 0.00 42.46 38.67 3ifb s ILE 108 CO 0.07 -0.82 -0.19 0.27 -2.11 0.00 0.00 174.94 172.16 3ifb s ILE 109 N 1.18 2.55 -1.62 2.00 -4.36 0.18 -4.86 121.20 116.27 3ifb s ILE 109 Ca 0.07 -2.27 0.00 0.00 -0.26 0.00 0.00 60.65 58.19 3ifb s ILE 109 Cb -0.25 -2.31 0.00 0.00 1.25 0.00 0.00 42.46 41.15 3ifb s ILE 109 CO -0.01 -0.33 0.00 0.61 0.24 0.00 0.00 174.94 175.45 3ifb n GLY 110 N -0.44 -0.50 4.08 6.27 0.00 -1.26 0.10 105.19 113.45 3ifb n GLY 110 Ca -0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.97 -1.68 -3.71 1.61 5.68 -1.26 -4.95 116.55 110.26 3ifb n ASP 111 Ca -0.22 -1.01 -0.14 0.00 -0.50 0.00 0.00 54.79 52.92 3ifb n ASP 111 Cb 0.67 -2.89 -0.09 0.00 -1.14 0.00 0.00 41.12 37.67 3ifb n ASP 111 CO 0.00 0.00 0.00 -0.70 -1.33 0.00 0.00 177.20 175.17 3ifb s GLU 112 N -6.76 0.58 -0.45 0.11 2.12 0.28 -4.22 118.70 110.37 3ifb s GLU 112 Ca 0.34 0.47 -0.06 0.00 0.36 0.00 0.00 54.97 56.09 3ifb s GLU 112 Cb -0.18 0.28 0.12 0.00 0.26 0.00 0.00 34.13 34.60 3ifb s GLU 112 CO 0.91 -0.10 0.28 -1.17 -0.54 0.00 0.00 175.26 174.64 3ifb s LEU 113 N -0.10 5.46 0.61 2.70 0.20 -1.07 -0.65 118.68 125.85 3ifb s LEU 113 Ca -0.03 -2.03 -0.16 0.00 0.69 0.00 0.00 54.13 52.60 3ifb s LEU 113 Cb -0.03 -1.91 -0.02 0.00 -0.43 0.00 0.00 46.19 43.79 3ifb s LEU 113 CO 0.02 -0.60 1.09 0.54 -0.29 0.00 0.00 176.35 177.11 3ifb s VAL 114 N 1.16 3.48 0.29 1.68 0.11 0.26 -1.93 120.40 125.46 3ifb s VAL 114 Ca 0.08 0.73 0.02 0.00 -2.93 0.00 0.00 61.98 59.88 3ifb s VAL 114 Cb -0.24 -3.25 -0.05 0.00 -1.53 0.00 0.00 36.38 31.31 3ifb s VAL 114 CO -0.03 -0.39 0.09 -1.58 -3.33 0.00 0.00 175.10 169.86 3ifb s GLN 115 N -3.97 1.54 -0.02 1.54 2.00 0.33 -2.04 119.66 119.04 3ifb s GLN 115 Ca 0.66 -1.85 -0.18 0.00 -2.00 0.00 0.00 55.36 51.99 3ifb s GLN 115 Cb -0.19 -0.48 0.03 0.00 0.80 0.00 0.00 33.01 33.17 3ifb s GLN 115 CO 0.37 -0.28 0.39 -0.08 -0.50 0.00 0.00 175.29 175.20 3ifb s THR 116 N -3.55 0.05 0.09 -0.34 -1.32 -0.16 -2.03 115.64 108.38 3ifb s THR 116 Ca 0.36 -0.37 0.05 0.00 -1.21 0.00 0.00 61.69 60.52 3ifb s THR 116 Cb 0.08 -0.71 -0.03 0.00 -1.51 0.00 0.00 72.50 70.32 3ifb s THR 116 CO 0.15 -0.20 -0.14 -0.31 -2.21 0.00 0.00 174.62 171.90 3ifb s TYR 117 N -1.34 1.28 -0.13 9.09 1.51 -0.88 -0.95 117.35 125.93 3ifb s TYR 117 Ca -0.13 -0.52 -0.02 0.00 -1.01 0.00 0.00 57.07 55.39 3ifb s TYR 117 Cb -0.04 -0.70 0.04 0.00 -0.11 0.00 0.00 41.96 41.16 3ifb s TYR 117 CO 0.05 0.09 0.03 0.08 -1.11 0.00 0.00 175.55 174.69 3ifb s VAL 118 N -1.75 0.36 -0.42 0.71 1.01 -0.50 -0.44 120.40 119.36 3ifb s VAL 118 Ca 0.03 -0.15 -0.09 0.00 0.00 0.00 0.00 61.98 61.77 3ifb s VAL 118 Cb -0.07 -0.71 0.08 0.00 0.00 0.00 0.00 36.38 35.68 3ifb s VAL 118 CO 0.02 0.02 0.26 -0.47 0.00 0.00 0.00 175.10 174.93 3ifb s TYR 119 N 1.96 3.35 0.00 5.22 5.04 -0.90 -0.58 117.35 131.45 3ifb s TYR 119 Ca 0.02 -1.58 0.00 0.00 -2.44 0.00 0.00 57.07 53.07 3ifb s TYR 119 Cb -0.14 -3.00 0.00 0.00 0.35 0.00 0.00 41.96 39.17 3ifb s TYR 119 CO -0.07 -0.86 0.00 0.39 -1.34 0.00 0.00 175.55 173.67 3ifb n GLU 120 N 4.90 -1.22 0.00 4.97 1.02 -1.18 -1.45 120.64 127.69 3ifb n GLU 120 Ca -0.10 0.13 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 3ifb n GLU 120 Cb 0.43 -3.12 0.00 0.00 -0.02 0.00 0.00 31.44 28.73 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 0.15 0.92 3.48 0.62 0.00 -1.26 -5.12 105.19 103.99 3ifb n GLY 121 Ca 0.00 0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 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 5.00 -0.26 1.61 1.01 -0.53 -5.00 120.40 122.23 3ifb s VAL 122 Ca 0.00 -0.27 -0.29 0.00 0.00 0.00 0.00 61.98 61.42 3ifb s VAL 122 Cb 0.00 -4.11 0.01 0.00 0.00 0.00 0.00 36.38 32.28 3ifb s VAL 122 CO 0.00 -0.52 1.07 -0.70 0.00 0.00 0.00 175.10 174.95 3ifb s GLU 123 N 2.35 4.18 0.44 2.72 2.12 -1.26 -2.11 118.70 127.14 3ifb s GLU 123 Ca 0.15 1.27 0.05 0.00 0.36 0.00 0.00 54.97 56.80 3ifb s GLU 123 Cb -0.17 -3.68 0.01 0.00 0.26 0.00 0.00 34.13 30.55 3ifb s GLU 123 CO 0.15 -0.74 0.61 0.00 -0.54 0.00 0.00 175.26 174.74 3ifb s ALA 124 N 3.40 4.20 0.06 6.30 0.00 0.41 -4.83 121.76 131.29 3ifb s ALA 124 Ca 0.45 -1.45 0.04 0.00 0.00 0.00 0.00 51.96 51.00 3ifb s ALA 124 Cb -0.14 -1.82 -0.03 0.00 0.00 0.00 0.00 23.12 21.13 3ifb s ALA 124 CO 0.10 -0.36 -0.12 0.21 0.00 0.00 0.00 175.76 175.59 3ifb s LYS 125 N -4.44 0.72 0.02 0.00 2.20 -0.98 -2.08 119.74 115.18 3ifb s LYS 125 Ca 0.52 -0.85 0.02 0.00 -0.36 0.00 0.00 55.97 55.30 3ifb s LYS 125 Cb -0.10 -0.65 -0.02 0.00 -1.51 0.00 0.00 37.83 35.56 3ifb s LYS 125 CO 0.35 0.14 -0.06 0.50 -0.36 0.00 0.00 175.35 175.92 3ifb s ARG 126 N -1.59 0.44 0.01 4.03 3.00 -0.86 -1.48 118.95 122.51 3ifb s ARG 126 Ca -0.04 -0.52 0.07 0.00 -1.00 0.00 0.00 55.73 54.24 3ifb s ARG 126 Cb -0.10 -0.27 -0.02 0.00 0.00 0.00 0.00 34.95 34.57 3ifb s ARG 126 CO 0.01 0.06 -0.22 0.42 0.00 0.00 0.00 175.30 175.57 3ifb s ILE 127 N -0.91 1.72 0.42 4.11 1.09 -0.80 -0.51 121.20 126.32 3ifb s ILE 127 Ca -0.06 -1.06 0.05 0.00 -1.10 0.00 0.00 60.65 58.47 3ifb s ILE 127 Cb -0.07 -1.46 -0.06 0.00 -1.06 0.00 0.00 42.46 39.81 3ifb s ILE 127 CO 0.00 0.36 0.02 -0.36 -0.10 0.00 0.00 174.94 174.87 3ifb s PHE 128 N -0.64 2.25 0.18 3.97 0.40 -0.81 -0.85 117.98 122.47 3ifb s PHE 128 Ca 0.08 -0.81 -0.15 0.00 -0.60 0.00 0.00 56.93 55.45 3ifb s PHE 128 Cb -0.09 -1.63 0.02 0.00 0.51 0.00 0.00 43.02 41.83 3ifb s PHE 128 CO 0.00 0.29 0.45 -1.59 0.70 0.00 0.00 175.22 175.07 3ifb s LYS 129 N -3.78 1.28 0.91 0.44 -2.85 -0.60 -2.58 119.74 112.55 3ifb s LYS 129 Ca 0.28 -0.91 -0.13 0.00 -1.00 0.00 0.00 55.97 54.21 3ifb s LYS 129 Cb 0.08 0.48 0.17 0.00 -2.06 0.00 0.00 37.83 36.50 3ifb s LYS 129 CO 0.14 -0.52 1.26 0.21 0.10 0.00 0.00 175.35 176.54 3ifb s LYS 130 N -3.88 0.97 0.00 1.78 2.20 -1.26 -1.76 119.74 117.79 3ifb s LYS 130 Ca 0.10 -0.42 0.00 0.00 -0.36 0.00 0.00 55.97 55.29 3ifb s LYS 130 Cb 0.00 -1.92 0.00 0.00 -1.51 0.00 0.00 37.83 34.40 3ifb s LYS 130 CO -0.04 -2.17 0.00 -3.47 -0.36 0.00 0.00 175.35 169.32