#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 4.09 -3.77 0.00 -0.00 -1.26 -4.85 117.46 111.67 3ifb n PHE 2 Ca 0.00 -2.91 -0.13 0.00 -0.00 0.00 0.00 57.45 54.41 3ifb n PHE 2 Cb 0.00 -2.60 -0.09 0.00 -0.00 0.00 0.00 39.48 36.79 3ifb n PHE 2 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 176.76 176.92 3ifb s ASP 3 N 3.72 -0.23 0.11 -2.13 -4.77 -1.26 -4.39 116.67 107.72 3ifb s ASP 3 Ca 0.51 0.27 -0.26 0.00 -3.30 0.00 0.00 52.55 49.76 3ifb s ASP 3 Cb 0.09 0.43 0.07 0.00 -1.09 0.00 0.00 42.92 42.42 3ifb s ASP 3 CO -0.01 -0.33 0.96 -0.44 0.70 0.00 0.00 175.17 176.05 3ifb s SER 4 N -0.81 -0.21 -0.41 2.11 0.01 -0.91 -5.01 113.70 108.46 3ifb s SER 4 Ca -0.09 -0.31 -0.06 0.00 1.31 0.00 0.00 55.95 56.80 3ifb s SER 4 Cb -0.04 0.45 0.10 0.00 0.21 0.00 0.00 66.02 66.74 3ifb s SER 4 CO 0.03 -0.82 0.23 -0.89 0.41 0.00 0.00 173.24 172.20 3ifb s THR 5 N -3.22 3.72 0.54 1.44 2.01 -1.26 -2.05 115.64 116.81 3ifb s THR 5 Ca 0.11 -1.74 0.01 0.00 0.31 0.00 0.00 61.69 60.38 3ifb s THR 5 Cb -0.01 -3.40 0.03 0.00 0.01 0.00 0.00 72.50 69.12 3ifb s THR 5 CO -0.00 -0.59 0.76 0.26 -0.69 0.00 0.00 174.62 174.35 3ifb s TRP 6 N 1.28 2.91 -0.21 4.92 0.52 0.88 -1.66 118.94 127.57 3ifb s TRP 6 Ca 0.05 0.01 -0.27 0.00 0.02 0.00 0.00 56.10 55.91 3ifb s TRP 6 Cb -0.23 -2.69 0.11 0.00 -1.15 0.00 0.00 33.47 29.50 3ifb s TRP 6 CO -0.01 -0.80 0.91 0.21 0.02 0.00 0.00 176.95 177.28 3ifb s LYS 7 N -4.73 0.67 -0.31 4.98 2.36 0.21 -1.25 119.74 121.67 3ifb s LYS 7 Ca 0.56 0.51 -0.28 0.00 -2.55 0.00 0.00 55.97 54.21 3ifb s LYS 7 Cb -0.10 0.32 -0.06 0.00 -1.05 0.00 0.00 37.83 36.94 3ifb s LYS 7 CO 0.38 -0.14 2.28 1.55 1.55 0.00 0.00 175.35 180.97 3ifb n VAL 8 N 1.73 0.22 -0.03 4.02 3.14 -0.75 -0.65 118.33 126.02 3ifb n VAL 8 Ca -0.13 -0.53 -0.15 0.00 -2.96 0.00 0.00 64.34 60.57 3ifb n VAL 8 Cb 0.56 -2.52 -0.10 0.00 -1.06 0.00 0.00 33.84 30.72 3ifb n VAL 8 CO 0.00 0.00 0.00 -0.78 -6.46 0.00 0.00 176.83 169.59 3ifb h ASP 9 N 15.98 0.34 -5.01 6.55 3.58 -1.70 -3.47 116.42 132.70 3ifb h ASP 9 Ca -0.35 -0.67 0.03 0.00 0.42 0.00 0.00 57.03 56.46 3ifb h ASP 9 Cb 1.26 -0.10 -0.08 0.00 1.72 0.00 0.00 39.33 42.12 3ifb h ASP 9 CO 1.02 0.96 0.21 -0.60 -2.88 0.00 0.00 179.24 177.95 3ifb s ARG 10 N -3.57 1.55 0.03 0.28 3.52 -0.97 -5.04 118.95 114.76 3ifb s ARG 10 Ca -0.15 -0.77 -0.10 0.00 -0.13 0.00 0.00 55.73 54.59 3ifb s ARG 10 Cb 0.03 0.60 0.01 0.00 -1.56 0.00 0.00 34.95 34.02 3ifb s ARG 10 CO 0.76 -0.70 0.20 -1.12 -0.81 0.00 0.00 175.30 173.63 3ifb s SER 11 N -2.85 0.01 0.01 -2.12 0.01 -1.26 -1.40 113.70 106.11 3ifb s SER 11 Ca 0.07 -0.31 -0.01 0.00 1.31 0.00 0.00 55.95 57.00 3ifb s SER 11 Cb -0.04 0.28 -0.01 0.00 0.21 0.00 0.00 66.02 66.46 3ifb s SER 11 CO -0.02 -0.53 0.00 -1.83 0.41 0.00 0.00 173.24 171.27 3ifb s GLU 12 N -2.35 0.28 -1.23 12.44 -1.05 0.35 -4.73 118.70 122.40 3ifb s GLU 12 Ca -0.07 -0.45 -0.08 0.00 -0.15 0.00 0.00 54.97 54.23 3ifb s GLU 12 Cb -0.02 0.10 0.06 0.00 -0.44 0.00 0.00 34.13 33.83 3ifb s GLU 12 CO -0.03 -0.05 0.41 0.09 0.95 0.00 0.00 175.26 176.64 3ifb n ASN 13 N 1.88 -3.73 -0.13 0.83 4.13 -1.26 -1.91 115.26 115.08 3ifb n ASN 13 Ca -0.21 -0.29 -0.22 0.00 1.68 0.00 0.00 54.58 55.54 3ifb n ASN 13 Cb 0.56 -3.10 -0.10 0.00 -1.54 0.00 0.00 39.78 35.60 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 -3.84 0.00 0.10 3.10 9.36 -1.26 -1.96 117.16 122.66 3ifb n TYR 14 Ca -0.03 0.00 -0.05 0.00 3.32 0.00 0.00 57.90 61.14 3ifb n TYR 14 Cb 0.55 -0.94 0.08 0.00 -0.63 0.00 0.00 39.34 38.40 3ifb n TYR 14 CO 0.00 0.00 0.00 -0.44 0.22 0.00 0.00 176.86 176.64 3ifb h ASP 15 N -0.39 0.13 0.24 2.98 5.19 -1.94 -2.15 116.42 120.48 3ifb h ASP 15 Ca -0.60 -0.09 -0.01 0.00 -0.62 0.00 0.00 57.03 55.71 3ifb h ASP 15 Cb 1.74 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 41.21 3ifb h ASP 15 CO -0.22 0.81 -0.11 0.50 -3.12 0.00 0.00 179.24 177.10 3ifb h LYS 16 N 0.07 -0.31 0.37 3.56 1.63 -1.95 0.38 116.57 120.33 3ifb h LYS 16 Ca -0.02 0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 59.80 3ifb h LYS 16 Cb 1.28 0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 32.96 3ifb h LYS 16 CO 0.10 -0.17 -0.33 0.35 -3.45 0.00 0.00 179.45 175.95 3ifb h PHE 17 N -0.36 -0.89 -0.42 1.91 3.04 -1.36 -0.94 116.94 117.93 3ifb h PHE 17 Ca -0.03 0.00 -0.13 0.00 3.98 0.00 0.00 57.97 61.79 3ifb h PHE 17 Cb 0.27 0.34 -0.01 0.00 2.56 0.00 0.00 35.95 39.11 3ifb h PHE 17 CO -0.05 -0.48 -0.26 0.00 -2.02 0.00 0.00 178.31 175.50 3ifb h MET 18 N -0.72 0.89 -0.90 1.11 -0.00 -1.34 0.14 114.93 114.12 3ifb h MET 18 Ca -0.03 -0.39 0.25 0.00 -0.00 0.00 0.00 59.70 59.53 3ifb h MET 18 Cb 0.64 -0.02 -0.14 0.00 -0.00 0.00 0.00 31.60 32.07 3ifb h MET 18 CO -0.04 1.04 0.28 1.49 -0.00 0.00 0.00 176.91 179.69 3ifb h GLU 19 N 0.76 0.22 -0.38 -0.10 4.81 -0.04 -1.71 114.58 118.13 3ifb h GLU 19 Ca 0.09 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 3ifb h GLU 19 Cb 0.82 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.15 3ifb h GLU 19 CO 0.07 0.15 0.00 1.17 -0.73 0.00 0.00 179.01 179.67 3ifb n LYS 20 N -5.20 2.39 0.08 1.92 4.81 0.25 -1.69 118.16 120.72 3ifb n LYS 20 Ca 0.23 -2.11 0.10 0.00 -0.87 0.00 0.00 58.31 55.67 3ifb n LYS 20 Cb 0.72 -1.49 0.43 0.00 0.02 0.00 0.00 35.03 34.71 3ifb n LYS 20 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 3ifb n MET 21 N 1.30 0.13 -2.27 1.64 2.81 0.25 -4.89 117.12 116.08 3ifb n MET 21 Ca 0.19 0.35 -0.06 0.00 -1.81 0.00 0.00 57.70 56.37 3ifb n MET 21 Cb 0.56 -1.74 0.03 0.00 -0.71 0.00 0.00 33.22 31.36 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 0.07 0.15 3.93 3.03 0.00 -0.68 -5.04 105.19 106.64 3ifb n GLY 22 Ca 0.03 -0.06 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 3ifb n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ifb s VAL 23 N -3.14 5.30 0.30 1.61 0.11 -1.16 -5.07 120.40 118.34 3ifb s VAL 23 Ca 0.12 -0.61 -0.16 0.00 -2.93 0.00 0.00 61.98 58.39 3ifb s VAL 23 Cb -0.02 -3.68 -0.09 0.00 -1.53 0.00 0.00 36.38 31.07 3ifb s VAL 23 CO 0.27 -0.02 0.73 0.54 -3.33 0.00 0.00 175.10 173.30 3ifb s ASN 24 N -3.00 6.83 0.23 3.54 4.22 -1.26 -4.78 114.94 120.73 3ifb s ASN 24 Ca 0.34 1.31 0.01 0.00 -2.14 0.00 0.00 52.86 52.38 3ifb s ASN 24 Cb -0.12 -2.38 0.56 0.00 1.28 0.00 0.00 41.25 40.59 3ifb s ASN 24 CO 0.28 -0.15 1.18 0.00 -2.04 0.00 0.00 177.10 176.37 3ifb n ILE 25 N -0.13 -0.32 0.17 0.54 3.06 -1.26 0.50 119.36 121.92 3ifb n ILE 25 Ca 0.02 1.66 0.05 0.00 -2.50 0.00 0.00 62.75 61.99 3ifb n ILE 25 Cb 0.53 -2.42 0.17 0.00 0.54 0.00 0.00 39.64 38.46 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 0.72 0.07 9.51 2.07 -1.99 0.38 116.25 127.01 3ifb h VAL 26 Ca 0.45 -1.78 0.03 0.00 0.82 0.00 0.00 66.70 66.21 3ifb h VAL 26 Cb 0.92 2.18 -0.04 0.00 -1.52 0.00 0.00 31.29 32.82 3ifb h VAL 26 CO -0.71 0.37 -0.31 0.11 0.02 0.00 0.00 177.57 177.05 3ifb h LYS 27 N 0.00 -0.49 -0.69 1.57 1.79 -0.31 -1.99 116.57 116.46 3ifb h LYS 27 Ca -0.00 0.03 0.05 0.00 -2.18 0.00 0.00 60.65 58.55 3ifb h LYS 27 Cb 1.15 0.11 -0.04 0.00 -1.58 0.00 0.00 32.23 31.87 3ifb h LYS 27 CO 0.05 -0.32 0.46 0.00 -1.08 0.00 0.00 179.45 178.55 3ifb h ARG 28 N -0.51 0.74 -0.67 3.15 3.08 -0.82 0.72 114.38 120.07 3ifb h ARG 28 Ca 0.04 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 3ifb h ARG 28 Cb 0.56 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.41 3ifb h ARG 28 CO -0.22 0.49 0.30 0.87 -1.07 0.00 0.00 179.97 180.34 3ifb h LYS 29 N 0.76 0.97 -0.25 0.04 1.79 -0.52 0.16 116.57 119.52 3ifb h LYS 29 Ca 0.29 -0.15 -0.15 0.00 -2.18 0.00 0.00 60.65 58.45 3ifb h LYS 29 Cb 0.18 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 30.66 3ifb h LYS 29 CO -0.09 0.78 -0.47 1.37 -1.08 0.00 0.00 179.45 179.96 3ifb h LEU 30 N 0.93 0.72 -0.43 2.94 8.10 -0.55 -2.19 115.31 124.83 3ifb h LEU 30 Ca 0.23 -0.35 -0.02 0.00 0.11 0.00 0.00 57.88 57.85 3ifb h LEU 30 Cb 0.15 -0.20 -0.02 0.00 -0.44 0.00 0.00 40.66 40.14 3ifb h LEU 30 CO -0.03 1.08 0.21 0.00 -4.11 0.00 0.00 178.44 175.59 3ifb h ALA 31 N 0.95 0.56 -0.67 0.17 0.00 0.23 0.53 119.26 121.02 3ifb h ALA 31 Ca 0.03 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3ifb h ALA 31 Cb 1.02 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 3ifb h ALA 31 CO 0.10 0.12 0.39 0.00 0.00 0.00 0.00 179.25 179.85 3ifb h ALA 32 N 1.06 1.43 -0.75 0.00 0.00 -0.84 -1.48 119.26 118.68 3ifb h ALA 32 Ca 0.15 -0.09 -0.57 0.00 0.00 0.00 0.00 54.91 54.40 3ifb h ALA 32 Cb 0.11 -0.27 -0.22 0.00 0.00 0.00 0.00 17.79 17.41 3ifb h ALA 32 CO -0.02 0.49 0.69 0.72 0.00 0.00 0.00 179.25 181.12 3ifb n HIS 33 N -4.39 2.33 0.04 0.00 8.25 0.10 -4.45 115.22 117.11 3ifb n HIS 33 Ca 0.07 -2.31 0.00 0.00 -0.26 0.00 0.00 57.72 55.21 3ifb n HIS 33 Cb 0.08 -1.26 0.00 0.00 1.12 0.00 0.00 29.99 29.93 3ifb n HIS 33 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3ifb n ASP 34 N -0.04 -0.04 0.00 0.41 8.00 0.15 -4.81 116.55 120.23 3ifb n ASP 34 Ca 0.49 0.13 0.00 0.00 0.71 0.00 0.00 54.79 56.12 3ifb n ASP 34 Cb 0.50 0.10 0.00 0.00 -0.02 0.00 0.00 41.12 41.71 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 -2.77 0.00 -3.64 -2.24 5.03 -1.13 -3.25 115.26 107.26 3ifb n ASN 35 Ca 0.00 0.00 -0.05 0.00 0.87 0.00 0.00 54.58 55.40 3ifb n ASN 35 Cb 0.01 0.00 -0.07 0.00 -1.02 0.00 0.00 39.78 38.71 3ifb n ASN 35 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3ifb s LEU 36 N 0.00 -0.84 0.00 3.41 1.02 -1.26 -4.60 118.68 116.41 3ifb s LEU 36 Ca 0.00 1.32 -0.06 0.00 0.02 0.00 0.00 54.13 55.41 3ifb s LEU 36 Cb 0.00 2.19 0.02 0.00 0.02 0.00 0.00 46.19 48.43 3ifb s LEU 36 CO 0.00 -0.21 0.57 2.29 0.02 0.00 0.00 176.35 179.03 3ifb n LYS 37 N 4.26 0.82 -3.32 1.70 2.85 0.13 -1.80 118.16 122.81 3ifb n LYS 37 Ca -0.19 -2.57 0.02 0.00 -1.05 0.00 0.00 58.31 54.53 3ifb n LYS 37 Cb 0.58 2.67 -0.02 0.00 -0.65 0.00 0.00 35.03 37.61 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 -1.31 -0.39 -5.58 2.96 -0.38 -0.26 118.68 113.72 3ifb s LEU 38 Ca 0.24 1.11 -0.29 0.00 -0.22 0.00 0.00 54.13 54.98 3ifb s LEU 38 Cb -0.02 2.22 0.02 0.00 0.50 0.00 0.00 46.19 48.90 3ifb s LEU 38 CO 0.18 -0.25 1.18 -0.89 -1.32 0.00 0.00 176.35 175.25 3ifb s THR 39 N 2.87 4.24 -0.01 3.68 2.01 -0.97 -0.08 115.64 127.38 3ifb s THR 39 Ca 0.12 1.35 -0.05 0.00 0.31 0.00 0.00 61.69 63.41 3ifb s THR 39 Cb -0.14 -4.42 -0.04 0.00 0.01 0.00 0.00 72.50 67.90 3ifb s THR 39 CO -0.20 -0.73 0.23 -0.51 -0.69 0.00 0.00 174.62 172.72 3ifb s ILE 40 N 4.33 5.36 -0.30 1.82 2.07 -0.87 -1.72 121.20 131.89 3ifb s ILE 40 Ca 0.50 0.07 -0.13 0.00 -1.41 0.00 0.00 60.65 59.69 3ifb s ILE 40 Cb -0.11 -3.55 0.13 0.00 0.13 0.00 0.00 42.46 39.07 3ifb s ILE 40 CO 0.26 0.37 0.78 -0.89 -1.91 0.00 0.00 174.94 173.55 3ifb s THR 41 N -1.29 -0.64 0.42 4.00 2.01 -0.97 -2.14 115.64 117.03 3ifb s THR 41 Ca 0.27 0.00 0.04 0.00 0.31 0.00 0.00 61.69 62.31 3ifb s THR 41 Cb -0.13 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.39 3ifb s THR 41 CO 0.16 0.00 0.60 -1.10 -0.69 0.00 0.00 174.62 173.59 3ifb s GLN 42 N 2.47 2.93 -0.36 4.92 -0.21 -1.26 -1.80 119.66 126.35 3ifb s GLN 42 Ca -0.06 -0.89 0.01 0.00 0.02 0.00 0.00 55.36 54.44 3ifb s GLN 42 Cb -0.09 -2.68 0.15 0.00 1.00 0.00 0.00 33.01 31.39 3ifb s GLN 42 CO -0.18 -0.24 0.25 -1.21 -2.12 0.00 0.00 175.29 171.79 3ifb s GLU 43 N -4.41 0.62 7.23 2.91 2.02 -0.50 -4.88 118.70 121.70 3ifb s GLU 43 Ca 0.50 -1.46 0.00 0.00 0.02 0.00 0.00 54.97 54.03 3ifb s GLU 43 Cb -0.10 -1.28 0.00 0.00 0.10 0.00 0.00 34.13 32.85 3ifb s GLU 43 CO 0.34 -1.25 0.00 0.41 0.02 0.00 0.00 175.26 174.79 3ifb n GLY 44 N 3.80 2.25 0.10 -1.39 0.00 -1.26 -2.48 105.19 106.22 3ifb n GLY 44 Ca 0.16 -0.35 0.13 0.00 0.00 0.00 0.00 46.02 45.96 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 6.81 0.68 -4.97 1.61 5.15 -1.26 -4.88 115.26 118.40 3ifb n ASN 45 Ca 0.00 0.59 -0.21 0.00 -0.60 0.00 0.00 54.58 54.35 3ifb n ASN 45 Cb 0.00 -0.76 0.01 0.00 -0.53 0.00 0.00 39.78 38.50 3ifb n ASN 45 CO 0.00 0.00 0.00 -1.59 1.40 0.00 0.00 177.26 177.07 3ifb s LYS 46 N -3.14 3.05 -0.28 1.20 -2.85 -1.03 -4.66 119.74 112.02 3ifb s LYS 46 Ca 0.09 -0.70 0.02 0.00 -1.00 0.00 0.00 55.97 54.39 3ifb s LYS 46 Cb 0.12 -2.65 0.08 0.00 -2.06 0.00 0.00 37.83 33.32 3ifb s LYS 46 CO 0.54 -0.18 -0.02 -0.06 0.10 0.00 0.00 175.35 175.72 3ifb s PHE 47 N -2.43 2.97 -0.18 1.78 0.40 -1.00 -1.40 117.98 118.11 3ifb s PHE 47 Ca 0.48 -2.28 -0.06 0.00 -0.60 0.00 0.00 56.93 54.46 3ifb s PHE 47 Cb -0.10 -2.09 -0.04 0.00 0.51 0.00 0.00 43.02 41.30 3ifb s PHE 47 CO 0.35 -0.87 0.04 -0.08 0.70 0.00 0.00 175.22 175.37 3ifb s THR 48 N 1.19 4.50 0.17 0.64 -1.32 -0.74 -1.94 115.64 118.13 3ifb s THR 48 Ca -0.00 -0.14 -0.02 0.00 -1.21 0.00 0.00 61.69 60.32 3ifb s THR 48 Cb -0.19 -3.02 -0.04 0.00 -1.51 0.00 0.00 72.50 67.74 3ifb s THR 48 CO -0.08 0.45 0.13 0.68 -2.21 0.00 0.00 174.62 173.59 3ifb s VAL 49 N 0.53 0.05 -0.29 5.08 -7.23 -0.83 -2.30 120.40 115.40 3ifb s VAL 49 Ca 0.02 -1.89 -0.02 0.00 -1.81 0.00 0.00 61.98 58.28 3ifb s VAL 49 Cb -0.13 -2.25 0.12 0.00 0.56 0.00 0.00 36.38 34.68 3ifb s VAL 49 CO 0.01 -0.21 0.20 -0.75 -0.31 0.00 0.00 175.10 174.05 3ifb s LYS 50 N -4.09 0.27 0.26 4.82 2.20 -0.70 -0.48 119.74 122.00 3ifb s LYS 50 Ca 0.30 -0.41 -0.20 0.00 -0.36 0.00 0.00 55.97 55.31 3ifb s LYS 50 Cb 0.07 -0.95 -0.09 0.00 -1.51 0.00 0.00 37.83 35.35 3ifb s LYS 50 CO 0.07 -1.03 0.76 -1.21 -0.36 0.00 0.00 175.35 173.57 3ifb s GLU 51 N 2.16 4.25 0.08 4.03 2.02 -0.86 -2.30 118.70 128.07 3ifb s GLU 51 Ca 0.10 0.90 -0.21 0.00 0.02 0.00 0.00 54.97 55.77 3ifb s GLU 51 Cb -0.15 -2.78 0.05 0.00 0.10 0.00 0.00 34.13 31.35 3ifb s GLU 51 CO -0.33 0.33 0.51 0.45 0.02 0.00 0.00 175.26 176.24 3ifb s SER 52 N -1.76 -0.42 0.00 -0.19 0.15 0.65 -0.75 113.70 111.38 3ifb s SER 52 Ca 0.46 0.04 0.00 0.00 0.70 0.00 0.00 55.95 57.15 3ifb s SER 52 Cb -0.16 0.51 0.00 0.00 -1.71 0.00 0.00 66.02 64.66 3ifb s SER 52 CO 0.20 -0.79 0.00 -1.20 1.20 0.00 0.00 173.24 172.65 3ifb n SER 53 N 0.13 0.00 0.24 5.45 7.64 -1.26 0.21 113.62 126.03 3ifb n SER 53 Ca -0.18 0.00 0.17 0.00 1.01 0.00 0.00 58.87 59.87 3ifb n SER 53 Cb 0.62 0.00 0.77 0.00 -1.01 0.00 0.00 64.21 64.59 3ifb n SER 53 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3ifb h ALA 54 N 0.00 1.65 -0.99 -0.43 0.00 -1.80 0.26 119.26 117.95 3ifb h ALA 54 Ca 0.00 -0.01 0.17 0.00 0.00 0.00 0.00 54.91 55.08 3ifb h ALA 54 Cb 0.00 0.01 -0.17 0.00 0.00 0.00 0.00 17.79 17.63 3ifb h ALA 54 CO 0.00 -0.47 -0.32 1.19 0.00 0.00 0.00 179.25 179.64 3ifb n PHE 55 N -3.20 0.18 0.00 0.00 3.01 -1.26 -4.92 117.46 111.27 3ifb n PHE 55 Ca 0.02 1.22 0.00 0.00 1.01 0.00 0.00 57.45 59.69 3ifb n PHE 55 Cb 0.49 -0.97 0.00 0.00 -0.01 0.00 0.00 39.48 38.99 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 -5.53 0.00 -2.01 -1.08 0.63 0.08 -4.33 116.66 104.42 3ifb n ARG 56 Ca 0.13 0.00 -0.39 0.00 -0.92 0.00 0.00 57.85 56.67 3ifb n ARG 56 Cb 0.44 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.36 3ifb n ARG 56 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3ifb s ASN 57 N 0.00 6.10 -0.15 6.15 2.20 -1.26 -4.59 114.94 123.39 3ifb s ASN 57 Ca 0.00 2.66 -0.04 0.00 -0.94 0.00 0.00 52.86 54.54 3ifb s ASN 57 Cb 0.00 -2.64 0.06 0.00 -2.00 0.00 0.00 41.25 36.67 3ifb s ASN 57 CO 0.00 -1.00 0.10 0.27 -2.94 0.00 0.00 177.10 173.53 3ifb s ILE 58 N -1.29 -0.11 0.35 0.54 -5.25 0.08 -5.00 121.20 110.51 3ifb s ILE 58 Ca 0.60 -0.07 -0.28 0.00 -0.99 0.00 0.00 60.65 59.91 3ifb s ILE 58 Cb -0.38 -0.52 -0.10 0.00 2.95 0.00 0.00 42.46 44.41 3ifb s ILE 58 CO 0.48 -0.20 1.37 -1.83 -1.79 0.00 0.00 174.94 172.97 3ifb s GLU 59 N 2.16 4.24 -0.27 0.37 -1.05 -1.26 -2.04 118.70 120.85 3ifb s GLU 59 Ca 0.03 2.35 -0.03 0.00 -0.15 0.00 0.00 54.97 57.17 3ifb s GLU 59 Cb -0.15 -3.01 0.09 0.00 -0.44 0.00 0.00 34.13 30.61 3ifb s GLU 59 CO -0.08 -0.34 0.10 0.08 0.95 0.00 0.00 175.26 175.97 3ifb s VAL 60 N -1.14 0.28 0.01 1.83 1.01 0.36 -4.92 120.40 117.83 3ifb s VAL 60 Ca 0.51 -0.85 -0.01 0.00 0.00 0.00 0.00 61.98 61.63 3ifb s VAL 60 Cb -0.42 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 3ifb s VAL 60 CO 0.57 -0.59 0.15 0.54 0.00 0.00 0.00 175.10 175.76 3ifb s VAL 61 N 1.93 5.15 -0.17 2.92 0.11 -1.26 -1.97 120.40 127.11 3ifb s VAL 61 Ca 0.07 -0.33 -0.06 0.00 -2.93 0.00 0.00 61.98 58.73 3ifb s VAL 61 Cb -0.16 -3.43 0.08 0.00 -1.53 0.00 0.00 36.38 31.34 3ifb s VAL 61 CO -0.27 0.27 0.36 0.72 -3.33 0.00 0.00 175.10 172.86 3ifb s PHE 62 N -1.33 -0.66 -1.06 1.54 -0.71 -0.82 -4.87 117.98 110.07 3ifb s PHE 62 Ca 0.28 1.32 -0.07 0.00 -1.04 0.00 0.00 56.93 57.41 3ifb s PHE 62 Cb -0.12 0.18 0.26 0.00 -1.21 0.00 0.00 43.02 42.13 3ifb s PHE 62 CO 0.20 -0.43 1.03 -2.00 -1.34 0.00 0.00 175.22 172.68 3ifb s GLU 63 N 2.50 3.99 -0.87 1.99 2.12 -1.26 -2.38 118.70 124.79 3ifb s GLU 63 Ca -0.01 -3.23 -0.05 0.00 0.36 0.00 0.00 54.97 52.04 3ifb s GLU 63 Cb -0.12 -4.42 -0.06 0.00 0.26 0.00 0.00 34.13 29.80 3ifb s GLU 63 CO -0.11 -1.25 0.76 -0.11 -0.54 0.00 0.00 175.26 174.01 3ifb n LEU 64 N 2.62 -5.06 0.00 2.70 0.00 -1.26 -4.60 117.00 111.39 3ifb n LEU 64 Ca 0.23 -0.58 0.00 0.00 0.00 0.00 0.00 56.01 55.66 3ifb n LEU 64 Cb 0.39 -2.77 0.00 0.00 0.00 0.00 0.00 43.42 41.04 3ifb n LEU 64 CO 0.44 0.06 0.00 0.61 0.00 0.00 0.00 177.39 178.51 3ifb n GLY 65 N -1.28 0.79 3.04 -3.96 0.00 0.12 -4.92 105.19 98.98 3ifb n GLY 65 Ca -0.06 -0.78 -0.11 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.62 0.36 0.15 1.61 1.01 -1.03 -4.89 120.40 115.99 3ifb s VAL 66 Ca 0.00 -1.10 -0.00 0.00 0.00 0.00 0.00 61.98 60.88 3ifb s VAL 66 Cb 0.00 -0.57 -0.04 0.00 0.00 0.00 0.00 36.38 35.76 3ifb s VAL 66 CO 0.00 -0.49 0.33 -0.89 0.00 0.00 0.00 175.10 174.05 3ifb s THR 67 N -1.67 5.26 0.02 3.92 2.01 -1.26 -2.20 115.64 121.73 3ifb s THR 67 Ca -0.10 -0.38 -0.29 0.00 0.31 0.00 0.00 61.69 61.22 3ifb s THR 67 Cb -0.08 -3.70 0.10 0.00 0.01 0.00 0.00 72.50 68.83 3ifb s THR 67 CO -0.01 -0.06 1.11 0.72 -0.69 0.00 0.00 174.62 175.69 3ifb s PHE 68 N -1.73 -0.12 0.35 4.92 -0.12 -0.78 -4.98 117.98 115.51 3ifb s PHE 68 Ca 0.37 -0.05 0.04 0.00 -0.05 0.00 0.00 56.93 57.24 3ifb s PHE 68 Cb -0.12 0.57 -0.01 0.00 -0.63 0.00 0.00 43.02 42.84 3ifb s PHE 68 CO 0.28 -0.50 0.50 0.54 -0.05 0.00 0.00 175.22 176.00 3ifb s ASN 69 N -2.80 6.03 -0.27 1.98 4.22 -1.26 -1.57 114.94 121.27 3ifb s ASN 69 Ca 0.12 0.03 -0.03 0.00 -2.14 0.00 0.00 52.86 50.84 3ifb s ASN 69 Cb 0.01 -1.49 0.15 0.00 1.28 0.00 0.00 41.25 41.20 3ifb s ASN 69 CO -0.02 -0.42 0.50 -0.47 -2.04 0.00 0.00 177.10 174.64 3ifb s TYR 70 N -2.24 -1.19 0.96 1.54 5.04 -0.36 -4.96 117.35 116.15 3ifb s TYR 70 Ca 0.43 1.39 -0.13 0.00 -2.44 0.00 0.00 57.07 56.33 3ifb s TYR 70 Cb -0.10 0.34 0.07 0.00 0.35 0.00 0.00 41.96 42.63 3ifb s TYR 70 CO 0.33 -0.76 0.56 0.09 -1.34 0.00 0.00 175.55 174.43 3ifb n ASN 71 N 5.40 -1.57 0.00 4.32 4.13 -1.26 -2.03 115.26 124.25 3ifb n ASN 71 Ca -0.04 0.30 0.00 0.00 1.68 0.00 0.00 54.58 56.52 3ifb n ASN 71 Cb 0.50 -1.25 0.00 0.00 -1.54 0.00 0.00 39.78 37.49 3ifb n ASN 71 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 3ifb n LEU 72 N -2.11 0.00 -2.28 3.41 0.00 0.12 -4.80 117.00 111.34 3ifb n LEU 72 Ca 0.07 0.00 -0.28 0.00 0.00 0.00 0.00 56.01 55.80 3ifb n LEU 72 Cb 0.54 0.00 0.04 0.00 0.00 0.00 0.00 43.42 44.00 3ifb n LEU 72 CO 0.51 0.00 1.41 0.00 0.00 0.00 0.00 177.39 179.30 3ifb n ALA 73 N -3.00 5.96 -0.43 1.96 0.00 -1.26 -4.73 120.51 119.01 3ifb n ALA 73 Ca 0.00 -2.85 0.00 0.00 0.00 0.00 0.00 53.44 50.59 3ifb n ALA 73 Cb 0.00 -1.72 0.00 0.00 0.00 0.00 0.00 19.45 17.73 3ifb n ALA 73 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3ifb n ASP 74 N -0.14 -0.33 0.18 0.00 -0.08 -1.26 -4.93 116.55 109.99 3ifb n ASP 74 Ca 0.48 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.76 3ifb n ASP 74 Cb 0.56 -0.09 0.00 0.00 2.34 0.00 0.00 41.12 43.93 3ifb n ASP 74 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3ifb n GLY 75 N -0.14 -1.76 3.89 0.27 0.00 -1.26 -5.14 105.19 101.05 3ifb n GLY 75 Ca 0.00 0.42 -0.29 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.92 4.59 0.22 2.61 2.01 -1.26 -4.87 115.64 117.02 3ifb s THR 76 Ca 0.00 0.50 0.01 0.00 0.31 0.00 0.00 61.69 62.51 3ifb s THR 76 Cb 0.00 -3.80 -0.05 0.00 0.01 0.00 0.00 72.50 68.67 3ifb s THR 76 CO 0.00 -0.93 0.08 -1.61 -0.69 0.00 0.00 174.62 171.47 3ifb s GLU 77 N -5.01 1.26 0.13 4.92 2.02 -1.26 0.12 118.70 120.88 3ifb s GLU 77 Ca 0.52 -1.66 -0.24 0.00 0.02 0.00 0.00 54.97 53.62 3ifb s GLU 77 Cb -0.11 -0.09 0.07 0.00 0.10 0.00 0.00 34.13 34.11 3ifb s GLU 77 CO 0.49 -0.28 0.63 -0.48 0.02 0.00 0.00 175.26 175.64 3ifb s LEU 78 N -3.23 -0.56 0.24 1.80 2.34 -0.86 -3.63 118.68 114.79 3ifb s LEU 78 Ca 0.34 0.05 0.12 0.00 0.06 0.00 0.00 54.13 54.69 3ifb s LEU 78 Cb 0.07 2.55 -0.05 0.00 -0.56 0.00 0.00 46.19 48.21 3ifb s LEU 78 CO 0.10 -0.92 -0.21 -0.13 -1.06 0.00 0.00 176.35 174.13 3ifb s ARG 79 N -3.54 1.61 0.24 1.48 0.52 -1.07 -1.22 118.95 116.97 3ifb s ARG 79 Ca 0.01 -1.67 -0.22 0.00 -0.52 0.00 0.00 55.73 53.33 3ifb s ARG 79 Cb -0.01 -1.78 0.03 0.00 0.52 0.00 0.00 34.95 33.71 3ifb s ARG 79 CO -0.11 0.35 0.72 0.20 0.02 0.00 0.00 175.30 176.48 3ifb s GLY 80 N -3.18 -0.21 0.27 -3.53 0.00 -0.61 -0.02 107.32 100.04 3ifb s GLY 80 Ca 0.26 -0.10 0.04 0.00 0.00 0.00 0.00 44.72 44.92 3ifb s GLY 80 CO 0.13 -0.03 0.41 -0.51 0.00 0.00 0.00 173.10 173.10 3ifb s THR 81 N -3.82 5.22 0.01 0.90 -4.23 0.20 -1.86 115.64 112.06 3ifb s THR 81 Ca 0.09 -0.86 0.01 0.00 -1.18 0.00 0.00 61.69 59.75 3ifb s THR 81 Cb -0.05 -3.86 -0.01 0.00 1.34 0.00 0.00 72.50 69.92 3ifb s THR 81 CO 0.03 -0.39 -0.03 0.26 -0.54 0.00 0.00 174.62 173.95 3ifb s TRP 82 N -2.06 0.28 -0.32 3.99 0.23 -0.94 -2.06 118.94 118.07 3ifb s TRP 82 Ca 0.35 -0.22 -0.01 0.00 -2.03 0.00 0.00 56.10 54.20 3ifb s TRP 82 Cb -0.09 -0.18 0.13 0.00 0.03 0.00 0.00 33.47 33.36 3ifb s TRP 82 CO 0.31 -0.06 0.25 -1.12 0.96 0.00 0.00 176.95 177.29 3ifb s SER 83 N -0.61 2.33 -0.08 2.95 0.01 -0.10 0.16 113.70 118.37 3ifb s SER 83 Ca -0.05 -1.30 -0.30 0.00 1.31 0.00 0.00 55.95 55.61 3ifb s SER 83 Cb -0.04 0.12 -0.03 0.00 0.21 0.00 0.00 66.02 66.27 3ifb s SER 83 CO -0.00 -0.37 1.31 -0.22 0.41 0.00 0.00 173.24 174.37 3ifb s LEU 84 N 1.90 4.25 -0.01 2.44 0.20 -1.26 -2.16 118.68 124.04 3ifb s LEU 84 Ca 0.12 1.87 -0.06 0.00 0.69 0.00 0.00 54.13 56.76 3ifb s LEU 84 Cb -0.16 -3.55 0.00 0.00 -0.43 0.00 0.00 46.19 42.05 3ifb s LEU 84 CO -0.23 -0.71 0.12 -1.83 -0.29 0.00 0.00 176.35 173.41 3ifb s GLU 85 N 2.91 0.36 3.77 1.98 -1.05 -0.29 -4.83 118.70 121.55 3ifb s GLU 85 Ca 0.59 -0.22 0.00 0.00 -0.15 0.00 0.00 54.97 55.19 3ifb s GLU 85 Cb -0.26 0.15 0.00 0.00 -0.44 0.00 0.00 34.13 33.58 3ifb s GLU 85 CO 0.21 -0.08 0.00 0.41 0.95 0.00 0.00 175.26 176.75 3ifb n GLY 86 N 1.99 2.44 2.72 -3.83 0.00 -1.26 -1.33 105.19 105.92 3ifb n GLY 86 Ca -0.19 -0.29 -0.34 0.00 0.00 0.00 0.00 46.02 45.20 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 0.38 6.33 -3.74 1.61 3.02 -1.26 -4.99 115.26 116.61 3ifb n ASN 87 Ca 0.00 -3.79 -0.09 0.00 -0.03 0.00 0.00 54.58 50.67 3ifb n ASN 87 Cb 0.00 -0.81 -0.04 0.00 -0.61 0.00 0.00 39.78 38.33 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 -3.85 1.73 -0.16 3.52 0.00 -0.44 -4.71 119.74 115.83 3ifb s LYS 88 Ca 0.50 -1.29 -0.04 0.00 0.00 0.00 0.00 55.97 55.14 3ifb s LYS 88 Cb 0.42 0.51 -0.03 0.00 0.00 0.00 0.00 37.83 38.74 3ifb s LYS 88 CO -0.31 -0.75 -0.03 -1.17 0.00 0.00 0.00 175.35 173.09 3ifb s LEU 89 N -3.04 3.28 -0.19 2.77 0.20 0.17 -1.14 118.68 120.74 3ifb s LEU 89 Ca 0.20 -0.12 -0.05 0.00 0.69 0.00 0.00 54.13 54.85 3ifb s LEU 89 Cb -0.02 -1.80 -0.03 0.00 -0.43 0.00 0.00 46.19 43.92 3ifb s LEU 89 CO 0.10 0.16 -0.01 -0.63 -0.29 0.00 0.00 176.35 175.69 3ifb s ILE 90 N 0.41 4.00 0.24 6.68 1.09 -0.92 -2.21 121.20 130.50 3ifb s ILE 90 Ca -0.03 -0.30 0.01 0.00 -1.10 0.00 0.00 60.65 59.22 3ifb s ILE 90 Cb -0.14 -2.79 -0.04 0.00 -1.06 0.00 0.00 42.46 38.42 3ifb s ILE 90 CO 0.03 0.45 0.14 -0.83 -0.10 0.00 0.00 174.94 174.63 3ifb s GLY 91 N 0.78 1.67 -0.23 6.18 0.00 -0.38 -0.92 107.32 114.43 3ifb s GLY 91 Ca 0.00 -1.78 -0.04 0.00 0.00 0.00 0.00 44.72 42.91 3ifb s GLY 91 CO 0.02 -1.47 0.36 1.25 0.00 0.00 0.00 173.10 173.26 3ifb s LYS 92 N -4.02 0.32 0.38 2.90 2.47 -0.87 -2.34 119.74 118.57 3ifb s LYS 92 Ca 0.39 0.57 0.08 0.00 -1.56 0.00 0.00 55.97 55.45 3ifb s LYS 92 Cb 0.06 -0.43 -0.05 0.00 -1.46 0.00 0.00 37.83 35.95 3ifb s LYS 92 CO 0.15 -0.57 0.16 -0.06 0.16 0.00 0.00 175.35 175.18 3ifb s PHE 93 N 2.52 2.63 -0.23 4.03 0.40 0.23 -0.63 117.98 126.94 3ifb s PHE 93 Ca 0.10 -0.50 -0.16 0.00 -0.60 0.00 0.00 56.93 55.76 3ifb s PHE 93 Cb -0.15 -1.81 0.06 0.00 0.51 0.00 0.00 43.02 41.64 3ifb s PHE 93 CO -0.15 0.26 0.57 -1.59 0.70 0.00 0.00 175.22 175.01 3ifb s LYS 94 N -3.87 0.62 -0.28 0.44 -2.85 0.96 -0.03 119.74 114.72 3ifb s LYS 94 Ca 0.40 0.94 -0.39 0.00 -1.00 0.00 0.00 55.97 55.92 3ifb s LYS 94 Cb 0.01 0.18 -0.14 0.00 -2.06 0.00 0.00 37.83 35.82 3ifb s LYS 94 CO 0.22 -0.12 1.87 0.54 0.10 0.00 0.00 175.35 177.96 3ifb n ARG 95 N 3.63 1.20 0.28 1.78 1.74 -0.97 -2.60 116.66 121.73 3ifb n ARG 95 Ca -0.18 0.42 0.17 0.00 -0.77 0.00 0.00 57.85 57.49 3ifb n ARG 95 Cb 0.57 -2.21 0.71 0.00 -1.02 0.00 0.00 32.46 30.51 3ifb n ARG 95 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3ifb h THR 96 N 5.73 0.04 -0.53 0.55 1.03 -1.92 0.26 112.91 118.07 3ifb h THR 96 Ca -0.41 -0.51 -0.19 0.00 -0.01 0.00 0.00 66.41 65.29 3ifb h THR 96 Cb 1.32 1.49 -0.11 0.00 -1.07 0.00 0.00 68.15 69.77 3ifb h THR 96 CO 0.98 0.01 0.24 -0.67 -0.01 0.00 0.00 175.52 176.07 3ifb n ASP 97 N -3.11 3.77 0.00 0.00 2.03 -1.26 -4.71 116.55 113.27 3ifb n ASP 97 Ca 0.00 -2.86 0.00 0.00 0.52 0.00 0.00 54.79 52.45 3ifb n ASP 97 Cb 0.29 -0.68 0.00 0.00 -0.72 0.00 0.00 41.12 40.01 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 -0.15 -0.09 -0.27 1.67 2.85 -1.09 -5.06 115.26 113.13 3ifb n ASN 98 Ca 0.30 0.08 0.00 0.00 -0.11 0.00 0.00 54.58 54.85 3ifb n ASN 98 Cb 1.10 0.20 0.00 0.00 1.24 0.00 0.00 39.78 42.32 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 -1.06 0.73 2.98 8.20 0.00 0.90 -5.00 105.19 111.92 3ifb n GLY 99 Ca 0.00 -0.45 -0.31 0.00 0.00 0.00 0.00 46.02 45.27 3ifb n GLY 99 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ifb s ASN 100 N -1.86 4.64 -0.87 1.61 0.02 -1.26 -4.86 114.94 112.37 3ifb s ASN 100 Ca 0.00 -2.15 -0.29 0.00 -1.02 0.00 0.00 52.86 49.40 3ifb s ASN 100 Cb 0.00 -1.53 -0.18 0.00 0.02 0.00 0.00 41.25 39.56 3ifb s ASN 100 CO 0.00 -0.37 2.62 -0.62 0.02 0.00 0.00 177.10 178.74 3ifb n GLU 101 N 4.25 0.27 -2.89 -0.60 1.02 -1.26 -2.28 120.64 119.15 3ifb n GLU 101 Ca 0.03 -0.01 -0.43 0.00 -0.02 0.00 0.00 57.16 56.73 3ifb n GLU 101 Cb 0.41 -2.00 -0.04 0.00 -0.02 0.00 0.00 31.44 29.79 3ifb n GLU 101 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3ifb s LEU 102 N 9.71 4.42 0.14 -4.62 2.96 0.95 -3.64 118.68 128.60 3ifb s LEU 102 Ca 1.26 -0.87 -0.29 0.00 -0.22 0.00 0.00 54.13 54.01 3ifb s LEU 102 Cb -0.97 -2.50 -0.07 0.00 0.50 0.00 0.00 46.19 43.15 3ifb s LEU 102 CO 0.43 -1.34 0.92 0.20 -1.32 0.00 0.00 176.35 175.24 3ifb s ASN 103 N 3.43 7.50 0.09 3.68 0.02 0.95 0.76 114.94 131.37 3ifb s ASN 103 Ca 0.23 1.78 0.02 0.00 -1.02 0.00 0.00 52.86 53.86 3ifb s ASN 103 Cb -0.17 -2.57 -0.04 0.00 0.02 0.00 0.00 41.25 38.49 3ifb s ASN 103 CO 0.12 0.03 -0.06 0.42 0.02 0.00 0.00 177.10 177.62 3ifb s THR 104 N -0.41 0.66 -0.04 1.60 -4.23 -0.99 -0.03 115.64 112.20 3ifb s THR 104 Ca 0.43 -1.89 -0.10 0.00 -1.18 0.00 0.00 61.69 58.95 3ifb s THR 104 Cb -0.24 -1.63 0.02 0.00 1.34 0.00 0.00 72.50 71.99 3ifb s THR 104 CO 0.29 -0.86 0.24 -0.69 -0.54 0.00 0.00 174.62 173.06 3ifb s VAL 105 N -3.55 0.04 0.02 2.29 1.01 -0.79 -1.24 120.40 118.18 3ifb s VAL 105 Ca 0.11 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.75 3ifb s VAL 105 Cb 0.05 -0.45 -0.02 0.00 0.00 0.00 0.00 36.38 35.95 3ifb s VAL 105 CO -0.05 -0.19 -0.04 -0.13 0.00 0.00 0.00 175.10 174.70 3ifb s ARG 106 N -0.73 0.33 0.06 2.72 0.52 -0.94 -0.67 118.95 120.24 3ifb s ARG 106 Ca -0.08 -0.59 -0.28 0.00 -0.52 0.00 0.00 55.73 54.26 3ifb s ARG 106 Cb -0.04 0.03 0.10 0.00 0.52 0.00 0.00 34.95 35.55 3ifb s ARG 106 CO 0.02 -0.03 1.16 -1.83 0.02 0.00 0.00 175.30 174.64 3ifb s GLU 107 N -1.37 0.75 -0.00 3.54 -1.05 -0.83 0.44 118.70 120.18 3ifb s GLU 107 Ca -0.14 -0.43 0.04 0.00 -0.15 0.00 0.00 54.97 54.29 3ifb s GLU 107 Cb -0.09 0.24 -0.03 0.00 -0.44 0.00 0.00 34.13 33.81 3ifb s GLU 107 CO -0.01 -0.34 -0.10 0.96 0.95 0.00 0.00 175.26 176.72 3ifb s ILE 108 N -2.64 3.41 0.04 1.83 -0.00 -1.26 0.12 121.20 122.69 3ifb s ILE 108 Ca 0.16 -0.81 0.07 0.00 -0.00 0.00 0.00 60.65 60.07 3ifb s ILE 108 Cb 0.02 -2.45 -0.02 0.00 -0.00 0.00 0.00 42.46 40.01 3ifb s ILE 108 CO -0.01 0.43 -0.21 -0.63 -0.00 0.00 0.00 174.94 174.53 3ifb s ILE 109 N -0.93 1.67 0.00 8.37 1.01 0.19 -4.84 121.20 126.67 3ifb s ILE 109 Ca 0.15 -1.16 0.00 0.00 0.00 0.00 0.00 60.65 59.64 3ifb s ILE 109 Cb -0.11 -1.44 0.00 0.00 0.01 0.00 0.00 42.46 40.92 3ifb s ILE 109 CO 0.05 0.24 0.00 0.61 0.00 0.00 0.00 174.94 175.85 3ifb n GLY 110 N 1.94 0.00 2.71 6.18 0.00 -1.26 0.11 105.19 114.86 3ifb n GLY 110 Ca -0.17 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.80 3ifb n GLY 110 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ifb n ASP 111 N 0.00 -0.43 -3.74 1.61 8.00 -1.26 -5.11 116.55 115.61 3ifb n ASP 111 Ca 0.00 -2.39 -0.14 0.00 0.71 0.00 0.00 54.79 52.97 3ifb n ASP 111 Cb 0.00 0.32 -0.15 0.00 -0.02 0.00 0.00 41.12 41.28 3ifb n ASP 111 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3ifb s GLU 112 N -1.26 0.08 -0.51 -1.24 8.01 0.29 -4.35 118.70 119.71 3ifb s GLU 112 Ca 0.21 0.37 -0.21 0.00 0.01 0.00 0.00 54.97 55.35 3ifb s GLU 112 Cb 0.41 -0.19 0.05 0.00 -4.31 0.00 0.00 34.13 30.09 3ifb s GLU 112 CO -0.06 -0.18 0.72 -1.17 0.01 0.00 0.00 175.26 174.58 3ifb s LEU 113 N 1.25 4.66 0.43 1.80 0.20 -0.63 0.55 118.68 126.94 3ifb s LEU 113 Ca -0.08 -0.69 -0.21 0.00 0.69 0.00 0.00 54.13 53.84 3ifb s LEU 113 Cb -0.12 -2.59 -0.11 0.00 -0.43 0.00 0.00 46.19 42.95 3ifb s LEU 113 CO -0.06 -0.98 0.96 0.54 -0.29 0.00 0.00 176.35 176.52 3ifb s VAL 114 N 3.03 4.30 0.23 1.68 0.11 0.12 -0.82 120.40 129.06 3ifb s VAL 114 Ca 0.20 1.48 0.11 0.00 -2.93 0.00 0.00 61.98 60.84 3ifb s VAL 114 Cb -0.17 -3.62 -0.05 0.00 -1.53 0.00 0.00 36.38 31.01 3ifb s VAL 114 CO 0.15 -0.27 -0.21 -1.58 -3.33 0.00 0.00 175.10 169.87 3ifb s GLN 115 N -3.07 1.55 -0.03 1.54 2.00 0.49 -1.96 119.66 120.18 3ifb s GLN 115 Ca 0.61 -1.64 0.01 0.00 -2.00 0.00 0.00 55.36 52.35 3ifb s GLN 115 Cb -0.11 -1.68 0.02 0.00 0.80 0.00 0.00 33.01 32.03 3ifb s GLN 115 CO 0.15 0.33 -0.05 0.95 -0.50 0.00 0.00 175.29 176.18 3ifb s THR 116 N -2.24 0.50 -0.22 -0.34 -4.23 0.16 -2.04 115.64 107.22 3ifb s THR 116 Ca 0.25 -0.14 0.02 0.00 -1.18 0.00 0.00 61.69 60.64 3ifb s THR 116 Cb -0.06 -0.50 0.05 0.00 1.34 0.00 0.00 72.50 73.33 3ifb s THR 116 CO 0.12 0.20 -0.11 -0.31 -0.54 0.00 0.00 174.62 173.98 3ifb s TYR 117 N 0.68 2.74 -0.40 3.99 2.02 -0.84 -1.89 117.35 123.64 3ifb s TYR 117 Ca -0.09 -1.87 -0.04 0.00 -0.37 0.00 0.00 57.07 54.70 3ifb s TYR 117 Cb -0.12 -1.76 0.10 0.00 -0.40 0.00 0.00 41.96 39.78 3ifb s TYR 117 CO 0.00 -0.80 0.20 0.08 -1.57 0.00 0.00 175.55 173.46 3ifb s VAL 118 N 1.29 3.47 0.49 0.71 1.01 0.96 0.24 120.40 128.56 3ifb s VAL 118 Ca -0.04 -1.84 -0.03 0.00 0.00 0.00 0.00 61.98 60.07 3ifb s VAL 118 Cb -0.18 -3.28 -0.01 0.00 0.00 0.00 0.00 36.38 32.92 3ifb s VAL 118 CO -0.07 -0.59 0.76 -0.47 0.00 0.00 0.00 175.10 174.72 3ifb s TYR 119 N 1.22 3.32 -1.31 5.22 5.04 0.14 -0.03 117.35 130.95 3ifb s TYR 119 Ca 0.05 0.48 -0.11 0.00 -2.44 0.00 0.00 57.07 55.06 3ifb s TYR 119 Cb -0.23 -2.41 -0.06 0.00 0.35 0.00 0.00 41.96 39.61 3ifb s TYR 119 CO -0.03 -0.45 2.49 0.39 -1.34 0.00 0.00 175.55 176.61 3ifb n GLU 120 N -2.25 2.87 0.00 4.97 -0.58 -1.24 -2.09 120.64 122.31 3ifb n GLU 120 Ca 0.02 -2.02 0.00 0.00 -0.42 0.00 0.00 57.16 54.74 3ifb n GLU 120 Cb 0.57 -2.80 0.00 0.00 -0.57 0.00 0.00 31.44 28.64 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 3.82 0.81 3.14 0.62 0.00 -1.26 -5.08 105.19 107.23 3ifb n GLY 121 Ca 0.61 -0.05 -0.08 0.00 0.00 0.00 0.00 46.02 46.50 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 0.19 0.26 1.61 1.01 -0.89 -5.18 120.40 117.40 3ifb s VAL 122 Ca 0.00 -1.59 0.04 0.00 0.00 0.00 0.00 61.98 60.43 3ifb s VAL 122 Cb 0.00 -1.48 -0.06 0.00 0.00 0.00 0.00 36.38 34.84 3ifb s VAL 122 CO 0.00 -0.85 -0.00 -1.83 0.00 0.00 0.00 175.10 172.42 3ifb s GLU 123 N -3.91 1.44 0.29 2.72 -1.05 -1.26 0.27 118.70 117.20 3ifb s GLU 123 Ca 0.07 -1.75 -0.02 0.00 -0.15 0.00 0.00 54.97 53.13 3ifb s GLU 123 Cb 0.07 -0.77 -0.02 0.00 -0.44 0.00 0.00 34.13 32.97 3ifb s GLU 123 CO -0.10 -0.09 0.34 0.00 0.95 0.00 0.00 175.26 176.37 3ifb s ALA 124 N -3.32 0.95 -0.01 -0.84 0.00 0.14 -4.71 121.76 113.98 3ifb s ALA 124 Ca 0.30 -1.59 -0.17 0.00 0.00 0.00 0.00 51.96 50.51 3ifb s ALA 124 Cb 0.06 1.27 0.03 0.00 0.00 0.00 0.00 23.12 24.48 3ifb s ALA 124 CO 0.11 -0.72 0.36 0.21 0.00 0.00 0.00 175.76 175.72 3ifb s LYS 125 N -3.57 0.76 -0.06 0.00 2.20 -0.80 -1.98 119.74 116.29 3ifb s LYS 125 Ca 0.34 -0.20 -0.05 0.00 -0.36 0.00 0.00 55.97 55.70 3ifb s LYS 125 Cb 0.02 0.34 0.01 0.00 -1.51 0.00 0.00 37.83 36.69 3ifb s LYS 125 CO 0.18 -0.22 0.15 0.50 -0.36 0.00 0.00 175.35 175.60 3ifb s ARG 126 N -1.58 0.18 -0.05 4.03 3.00 -0.86 -0.50 118.95 123.16 3ifb s ARG 126 Ca -0.11 0.21 0.06 0.00 -1.00 0.00 0.00 55.73 54.89 3ifb s ARG 126 Cb -0.04 0.09 -0.01 0.00 0.00 0.00 0.00 34.95 34.99 3ifb s ARG 126 CO 0.03 -0.02 -0.25 0.42 0.00 0.00 0.00 175.30 175.48 3ifb s ILE 127 N 0.08 2.07 0.29 4.11 1.01 -0.49 -0.38 121.20 127.88 3ifb s ILE 127 Ca -0.00 -1.07 0.11 0.00 0.00 0.00 0.00 60.65 59.70 3ifb s ILE 127 Cb -0.01 -1.74 -0.05 0.00 0.01 0.00 0.00 42.46 40.67 3ifb s ILE 127 CO 0.00 0.57 -0.18 -0.36 0.00 0.00 0.00 174.94 174.97 3ifb s PHE 128 N -0.21 2.28 0.13 3.97 0.40 0.00 -1.97 117.98 122.58 3ifb s PHE 128 Ca -0.02 -0.37 -0.02 0.00 -0.60 0.00 0.00 56.93 55.92 3ifb s PHE 128 Cb -0.13 -1.04 -0.03 0.00 0.51 0.00 0.00 43.02 42.32 3ifb s PHE 128 CO 0.03 0.68 0.08 -1.59 0.70 0.00 0.00 175.22 175.13 3ifb s LYS 129 N -3.53 0.93 -0.80 0.44 0.00 0.18 -1.61 119.74 115.35 3ifb s LYS 129 Ca 0.30 -1.37 -0.19 0.00 0.00 0.00 0.00 55.97 54.70 3ifb s LYS 129 Cb -0.04 0.26 -0.18 0.00 0.00 0.00 0.00 37.83 37.87 3ifb s LYS 129 CO 0.15 -0.27 2.06 1.63 0.00 0.00 0.00 175.35 178.92 3ifb n LYS 130 N -0.09 0.23 0.00 1.78 4.76 -1.26 -0.62 118.16 122.95 3ifb n LYS 130 Ca -0.07 -0.85 0.00 0.00 -2.87 0.00 0.00 58.31 54.53 3ifb n LYS 130 Cb 0.63 -2.90 0.00 0.00 -1.84 0.00 0.00 35.03 30.92 3ifb n LYS 130 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56