#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fl7 n GLU 4 N 0.00 1.31 -3.53 0.00 1.02 -0.68 -4.34 120.64 114.43 1fl7 n GLU 4 Ca 0.00 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 56.88 1fl7 n GLU 4 Cb 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 31.44 31.28 1fl7 n GLU 4 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1fl7 s LEU 5 N 0.00 0.37 0.30 -4.62 0.20 -1.26 -3.52 118.68 110.15 1fl7 s LEU 5 Ca 0.00 -1.07 0.09 0.00 0.69 0.00 0.00 54.13 53.84 1fl7 s LEU 5 Cb 0.00 -0.18 -0.04 0.00 -0.43 0.00 0.00 46.19 45.54 1fl7 s LEU 5 CO 0.00 -0.41 0.08 0.42 -0.29 0.00 0.00 176.35 176.14 1fl7 s THR 6 N 2.15 3.34 -0.11 3.68 -4.23 0.10 -4.86 115.64 115.73 1fl7 s THR 6 Ca 0.08 -1.77 -0.28 0.00 -1.18 0.00 0.00 61.69 58.54 1fl7 s THR 6 Cb -0.16 -2.95 -0.02 0.00 1.34 0.00 0.00 72.50 70.71 1fl7 s THR 6 CO -0.31 -0.29 0.94 0.20 -0.54 0.00 0.00 174.62 174.62 1fl7 s ASN 7 N -3.76 7.17 0.01 3.99 0.01 -1.26 -0.56 114.94 120.54 1fl7 s ASN 7 Ca 0.34 1.43 0.00 0.00 -0.71 0.00 0.00 52.86 53.92 1fl7 s ASN 7 Cb -0.05 -2.52 -0.00 0.00 0.41 0.00 0.00 41.25 39.09 1fl7 s ASN 7 CO 0.22 -0.39 0.00 2.30 -1.51 0.00 0.00 177.10 177.72 1fl7 n ILE 8 N 4.46 0.00 -3.73 0.60 -5.35 -0.33 -4.94 119.36 110.08 1fl7 n ILE 8 Ca 0.07 -0.07 -0.30 0.00 -0.27 0.00 0.00 62.75 62.18 1fl7 n ILE 8 Cb 0.49 0.02 -0.14 0.00 -1.74 0.00 0.00 39.64 38.26 1fl7 n ILE 8 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 1fl7 s THR 9 N -1.21 1.02 0.96 7.28 2.01 -1.26 -3.13 115.64 121.31 1fl7 s THR 9 Ca 0.00 -1.73 -0.15 0.00 0.31 0.00 0.00 61.69 60.12 1fl7 s THR 9 Cb 0.00 -1.76 0.17 0.00 0.01 0.00 0.00 72.50 70.93 1fl7 s THR 9 CO 0.00 -0.74 1.21 0.27 -0.69 0.00 0.00 174.62 174.67 1fl7 s ILE 10 N 1.25 1.93 -0.06 1.82 -4.36 -0.99 -3.80 121.20 117.00 1fl7 s ILE 10 Ca 0.12 0.00 -0.01 0.00 -0.26 0.00 0.00 60.65 60.51 1fl7 s ILE 10 Cb -0.19 -2.85 0.03 0.00 1.25 0.00 0.00 42.46 40.69 1fl7 s ILE 10 CO -0.17 0.00 -0.01 0.00 0.24 0.00 0.00 174.94 175.00 1fl7 s ALA 11 N -3.52 0.66 -0.10 2.27 0.00 -0.83 -2.95 121.76 117.29 1fl7 s ALA 11 Ca 0.68 -0.08 -0.03 0.00 0.00 0.00 0.00 51.96 52.53 1fl7 s ALA 11 Cb -0.09 -0.62 -0.03 0.00 0.00 0.00 0.00 23.12 22.38 1fl7 s ALA 11 CO 0.53 -0.30 0.02 0.42 0.00 0.00 0.00 175.76 176.42 1fl7 s ILE 12 N 1.60 4.46 0.07 0.00 1.01 -0.42 -4.86 121.20 123.05 1fl7 s ILE 12 Ca -0.01 -0.19 0.03 0.00 0.00 0.00 0.00 60.65 60.48 1fl7 s ILE 12 Cb -0.13 -2.89 -0.03 0.00 0.01 0.00 0.00 42.46 39.42 1fl7 s ILE 12 CO -0.04 0.59 -0.09 -1.83 0.00 0.00 0.00 174.94 173.58 1fl7 s GLU 13 N -0.77 0.69 -0.45 2.79 -1.05 -1.26 -0.06 118.70 118.58 1fl7 s GLU 13 Ca 0.12 -0.97 -0.05 0.00 -0.15 0.00 0.00 54.97 53.92 1fl7 s GLU 13 Cb -0.12 -0.39 0.12 0.00 -0.44 0.00 0.00 34.13 33.30 1fl7 s GLU 13 CO 0.02 0.06 0.28 0.21 0.95 0.00 0.00 175.26 176.79 1fl7 s LYS 14 N -2.26 2.23 0.30 -4.83 2.47 -1.08 -4.98 119.74 111.59 1fl7 s LYS 14 Ca -0.02 -1.88 0.02 0.00 -1.56 0.00 0.00 55.97 52.54 1fl7 s LYS 14 Cb -0.06 -3.73 0.74 0.00 -1.46 0.00 0.00 37.83 33.33 1fl7 s LYS 14 CO -0.00 -1.13 1.60 0.93 0.16 0.00 0.00 175.35 176.91 1fl7 h GLU 15 N 8.09 0.06 -0.12 4.03 5.08 -1.86 -0.43 114.58 129.44 1fl7 h GLU 15 Ca -0.14 -0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.15 1fl7 h GLU 15 Cb 1.05 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 1fl7 h GLU 15 CO 0.76 0.04 -0.23 0.93 -1.00 0.00 0.00 179.01 179.51 1fl7 h GLU 16 N 0.07 0.21 -0.64 2.33 3.07 -1.94 -3.23 114.58 114.45 1fl7 h GLU 16 Ca 0.58 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 59.38 1fl7 h GLU 16 Cb 1.20 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 29.09 1fl7 h GLU 16 CO -0.82 0.43 0.00 0.00 -1.40 0.00 0.00 179.01 177.22 1fl7 n ARG 18 N 1.28 -1.66 -4.31 0.00 5.12 -1.16 -4.94 116.66 110.99 1fl7 n ARG 18 Ca 0.22 0.69 -0.17 0.00 -1.93 0.00 0.00 57.85 56.66 1fl7 n ARG 18 Cb 0.60 -4.88 -0.10 0.00 -1.16 0.00 0.00 32.46 26.93 1fl7 n ARG 18 CO 0.00 0.00 0.00 -0.59 -1.93 0.00 0.00 177.63 175.11 1fl7 s PHE 19 N -1.62 1.52 0.04 -1.55 -0.12 -1.26 -4.77 117.98 110.22 1fl7 s PHE 19 Ca 0.00 -1.33 0.01 0.00 -0.05 0.00 0.00 56.93 55.56 1fl7 s PHE 19 Cb 0.00 -0.82 -0.02 0.00 -0.63 0.00 0.00 43.02 41.55 1fl7 s PHE 19 CO 0.00 -0.50 -0.06 0.00 -0.05 0.00 0.00 175.22 174.61 1fl7 s ILE 21 N -1.64 3.72 -0.27 0.00 -4.36 0.91 -4.95 121.20 114.61 1fl7 s ILE 21 Ca -0.10 -1.44 -0.01 0.00 -0.26 0.00 0.00 60.65 58.84 1fl7 s ILE 21 Cb -0.08 -2.88 0.04 0.00 1.25 0.00 0.00 42.46 40.79 1fl7 s ILE 21 CO -0.01 -0.12 -0.04 -0.44 0.24 0.00 0.00 174.94 174.57 1fl7 s SER 22 N -2.98 4.57 0.08 4.36 0.01 -1.26 -1.31 113.70 117.17 1fl7 s SER 22 Ca 0.28 -1.12 -0.04 0.00 1.31 0.00 0.00 55.95 56.38 1fl7 s SER 22 Cb -0.09 -1.67 -0.05 0.00 0.21 0.00 0.00 66.02 64.42 1fl7 s SER 22 CO 0.19 -0.19 0.30 -0.63 0.41 0.00 0.00 173.24 173.31 1fl7 s ILE 23 N 1.26 5.27 -0.93 1.44 1.01 -1.15 -5.00 121.20 123.10 1fl7 s ILE 23 Ca -0.03 -0.03 -0.03 0.00 0.00 0.00 0.00 60.65 60.56 1fl7 s ILE 23 Cb -0.18 -3.61 0.23 0.00 0.01 0.00 0.00 42.46 38.91 1fl7 s ILE 23 CO -0.03 0.17 0.83 0.21 0.00 0.00 0.00 174.94 176.12 1fl7 s ASN 24 N -2.21 6.21 0.55 3.58 3.84 -1.26 -2.34 114.94 123.32 1fl7 s ASN 24 Ca 0.35 -3.69 0.01 0.00 0.21 0.00 0.00 52.86 49.74 1fl7 s ASN 24 Cb -0.13 -1.96 0.03 0.00 -0.55 0.00 0.00 41.25 38.65 1fl7 s ASN 24 CO 0.23 -0.20 0.77 0.28 -2.79 0.00 0.00 177.10 175.39 1fl7 s THR 25 N -1.31 2.69 -0.10 -5.21 -1.32 -1.18 -4.88 115.64 104.32 1fl7 s THR 25 Ca 0.28 -0.66 -0.01 0.00 -1.21 0.00 0.00 61.69 60.09 1fl7 s THR 25 Cb -0.08 -3.01 -0.03 0.00 -1.51 0.00 0.00 72.50 67.87 1fl7 s THR 25 CO -0.12 -0.01 -0.06 0.00 -2.21 0.00 0.00 174.62 172.22 1fl7 s ALA 26 N -2.76 2.96 0.00 11.08 0.00 -1.26 -1.18 121.76 130.59 1fl7 s ALA 26 Ca 0.57 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.67 1fl7 s ALA 26 Cb -0.10 -1.34 0.00 0.00 0.00 0.00 0.00 23.12 21.68 1fl7 s ALA 26 CO 0.38 0.43 0.00 0.91 0.00 0.00 0.00 175.76 177.48 1fl7 n TRP 27 N 2.77 -0.08 -3.98 0.00 7.02 0.28 -1.68 117.44 121.77 1fl7 n TRP 27 Ca -0.18 0.00 -0.32 0.00 -1.02 0.00 0.00 57.50 55.98 1fl7 n TRP 27 Cb 0.53 0.00 -0.05 0.00 -2.42 0.00 0.00 31.31 29.36 1fl7 n TRP 27 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1fl7 s ALA 29 N -1.34 -2.10 0.00 0.00 0.00 -1.23 -4.87 121.76 112.23 1fl7 s ALA 29 Ca 0.28 1.74 0.00 0.00 0.00 0.00 0.00 51.96 53.98 1fl7 s ALA 29 Cb -0.12 -0.64 0.00 0.00 0.00 0.00 0.00 23.12 22.35 1fl7 s ALA 29 CO 0.20 -0.45 0.00 0.41 0.00 0.00 0.00 175.76 175.92 1fl7 n GLY 30 N 0.18 0.76 3.61 0.00 0.00 -1.26 -1.68 105.19 106.80 1fl7 n GLY 30 Ca 0.00 -1.70 -0.25 0.00 0.00 0.00 0.00 46.02 44.07 1fl7 n GLY 30 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1fl7 s TYR 31 N -3.34 2.67 0.03 1.61 1.51 -1.26 -4.69 117.35 113.88 1fl7 s TYR 31 Ca 0.00 -0.22 -0.10 0.00 -1.01 0.00 0.00 57.07 55.74 1fl7 s TYR 31 Cb 0.00 -1.24 0.01 0.00 -0.11 0.00 0.00 41.96 40.62 1fl7 s TYR 31 CO 0.00 0.57 0.22 0.00 -1.11 0.00 0.00 175.55 175.23 1fl7 s TYR 33 N -2.41 3.67 0.05 0.00 5.04 -1.26 -5.05 117.35 117.38 1fl7 s TYR 33 Ca -0.06 1.02 -0.12 0.00 -2.44 0.00 0.00 57.07 55.48 1fl7 s TYR 33 Cb -0.02 -2.44 0.01 0.00 0.35 0.00 0.00 41.96 39.87 1fl7 s TYR 33 CO -0.03 0.45 0.25 0.95 -1.34 0.00 0.00 175.55 175.83 1fl7 s THR 34 N -0.44 0.10 -0.01 4.34 -4.23 -1.26 -4.63 115.64 109.51 1fl7 s THR 34 Ca 0.26 -0.82 0.04 0.00 -1.18 0.00 0.00 61.69 59.99 1fl7 s THR 34 Cb -0.17 -0.99 -0.01 0.00 1.34 0.00 0.00 72.50 72.67 1fl7 s THR 34 CO 0.14 -0.45 -0.13 0.00 -0.54 0.00 0.00 174.62 173.63 1fl7 s ARG 35 N -2.78 1.04 -0.51 3.99 1.70 -1.26 -5.10 118.95 116.03 1fl7 s ARG 35 Ca -0.03 -0.48 -0.17 0.00 -0.47 0.00 0.00 55.73 54.57 1fl7 s ARG 35 Cb -0.00 -1.01 0.08 0.00 -0.57 0.00 0.00 34.95 33.46 1fl7 s ARG 35 CO -0.05 0.27 0.54 0.34 -1.08 0.00 0.00 175.30 175.32 1fl7 s ASP 36 N -0.36 6.18 -0.06 -2.89 2.15 -1.26 -5.01 116.67 115.43 1fl7 s ASP 36 Ca 0.05 -1.30 -0.37 0.00 0.43 0.00 0.00 52.55 51.36 1fl7 s ASP 36 Cb -0.05 -2.24 -0.15 0.00 -0.30 0.00 0.00 42.92 40.18 1fl7 s ASP 36 CO -0.00 -0.84 1.63 0.18 -0.17 0.00 0.00 175.17 175.97 1fl7 n LEU 37 N 5.70 2.55 0.17 -1.34 4.77 -1.26 -4.87 117.00 122.72 1fl7 n LEU 37 Ca -0.10 1.07 0.03 0.00 -0.03 0.00 0.00 56.01 56.97 1fl7 n LEU 37 Cb 0.43 -1.26 0.25 0.00 -2.33 0.00 0.00 43.42 40.52 1fl7 n LEU 37 CO 0.52 -0.49 0.60 0.58 -1.33 0.00 0.00 177.39 177.27 1fl7 h VAL 38 N 4.47 1.08 -3.74 4.08 2.07 -2.07 -3.39 116.25 118.75 1fl7 h VAL 38 Ca -0.47 -1.80 -0.68 0.00 0.82 0.00 0.00 66.70 64.58 1fl7 h VAL 38 Cb 1.30 2.05 -0.35 0.00 -1.52 0.00 0.00 31.29 32.77 1fl7 h VAL 38 CO 0.89 0.47 -0.76 -0.47 0.02 0.00 0.00 177.57 177.72 1fl7 s TYR 39 N -3.55 3.21 -0.45 1.57 5.04 -1.26 -5.07 117.35 116.84 1fl7 s TYR 39 Ca -0.00 -2.01 -0.12 0.00 -2.44 0.00 0.00 57.07 52.49 1fl7 s TYR 39 Cb 0.11 -2.02 0.08 0.00 0.35 0.00 0.00 41.96 40.48 1fl7 s TYR 39 CO 0.72 -0.83 0.33 0.15 -1.34 0.00 0.00 175.55 174.58 1fl7 s LYS 40 N 1.20 2.79 0.04 4.97 1.02 -1.26 -5.04 119.74 123.46 1fl7 s LYS 40 Ca -0.06 -1.41 -0.30 0.00 0.02 0.00 0.00 55.97 54.22 1fl7 s LYS 40 Cb -0.19 -3.96 -0.06 0.00 -0.52 0.00 0.00 37.83 33.10 1fl7 s LYS 40 CO -0.04 -1.00 1.34 0.34 -0.92 0.00 0.00 175.35 175.07 1fl7 s ASP 41 N 2.39 6.91 0.54 2.83 2.15 -1.26 -4.89 116.67 125.34 1fl7 s ASP 41 Ca 0.04 2.12 0.33 0.00 0.43 0.00 0.00 52.55 55.46 1fl7 s ASP 41 Cb -0.24 -2.57 1.50 0.00 -0.30 0.00 0.00 42.92 41.31 1fl7 s ASP 41 CO 0.04 -0.64 1.87 -0.65 -0.17 0.00 0.00 175.17 175.62 1fl7 h PRO 42 N 7.32 0.00 -5.65 4.34 0.11 -2.02 -3.33 132.00 132.78 1fl7 h PRO 42 Ca -0.39 0.00 -0.43 0.00 0.11 0.00 0.00 66.00 65.28 1fl7 h PRO 42 Cb 1.19 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.25 1fl7 h PRO 42 CO 0.87 0.00 1.34 0.00 -0.21 0.00 0.00 178.00 180.00 1fl7 s ALA 43 N -4.95 2.23 0.93 -0.75 0.00 -1.26 -4.96 121.76 113.00 1fl7 s ALA 43 Ca -0.05 -2.26 -0.15 0.00 0.00 0.00 0.00 51.96 49.50 1fl7 s ALA 43 Cb 0.22 -4.64 -0.05 0.00 0.00 0.00 0.00 23.12 18.64 1fl7 s ALA 43 CO 0.77 -4.57 -0.10 0.54 0.00 0.00 0.00 175.76 172.40 1fl7 n ARG 44 N 8.44 -0.11 0.00 0.00 1.74 -1.25 -4.96 116.66 120.52 1fl7 n ARG 44 Ca 0.44 -0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.52 1fl7 n ARG 44 Cb 0.47 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.44 1fl7 n ARG 44 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1fl7 n PRO 45 N 0.23 0.00 0.00 5.56 -0.04 -1.26 -5.14 135.00 134.34 1fl7 n PRO 45 Ca 0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 1fl7 n PRO 45 Cb 0.54 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.00 1fl7 n PRO 45 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1fl7 n LYS 46 N 0.00 0.00 0.25 0.54 3.00 -1.26 -5.03 118.16 115.66 1fl7 n LYS 46 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 58.31 58.39 1fl7 n LYS 46 Cb 0.00 0.00 0.28 0.00 0.00 0.00 0.00 35.03 35.31 1fl7 n LYS 46 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.40 178.22 1fl7 h ILE 47 N 0.00 0.02 -2.86 3.15 2.04 -2.02 -3.47 117.51 114.36 1fl7 h ILE 47 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1fl7 h ILE 47 Cb 0.00 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.26 1fl7 h ILE 47 CO 0.00 0.00 -0.68 0.00 0.00 0.00 0.00 178.15 177.47 1fl7 n GLN 48 N -2.74 -3.60 -1.95 2.37 1.13 -1.26 -4.96 117.38 106.37 1fl7 n GLN 48 Ca 0.03 2.63 -0.29 0.00 -1.94 0.00 0.00 57.00 57.43 1fl7 n GLN 48 Cb 0.91 -2.92 0.07 0.00 0.11 0.00 0.00 30.24 28.41 1fl7 n GLN 48 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 1fl7 s LYS 49 N -3.31 2.36 -0.02 -1.09 1.02 -1.26 -4.72 119.74 112.72 1fl7 s LYS 49 Ca 0.00 0.19 -0.29 0.00 0.02 0.00 0.00 55.97 55.90 1fl7 s LYS 49 Cb 0.00 -2.02 0.09 0.00 -0.52 0.00 0.00 37.83 35.38 1fl7 s LYS 49 CO 0.00 -1.31 0.77 -0.08 -0.92 0.00 0.00 175.35 173.81 1fl7 s THR 50 N -3.43 0.00 0.10 2.17 -1.32 0.21 -4.91 115.64 108.46 1fl7 s THR 50 Ca 0.60 0.00 -0.31 0.00 -1.21 0.00 0.00 61.69 60.77 1fl7 s THR 50 Cb -0.11 -1.00 -0.08 0.00 -1.51 0.00 0.00 72.50 69.80 1fl7 s THR 50 CO 0.49 0.00 1.42 0.00 -2.21 0.00 0.00 174.62 174.32 1fl7 n THR 52 N 4.10 0.00 -4.00 0.00 5.66 -0.89 -4.90 114.28 114.26 1fl7 n THR 52 Ca 0.12 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.80 1fl7 n THR 52 Cb 0.42 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.14 1fl7 n THR 52 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 1fl7 s PHE 53 N -2.32 3.37 -0.15 1.09 -0.12 -1.26 -3.34 117.98 115.25 1fl7 s PHE 53 Ca 0.00 0.22 0.02 0.00 -0.05 0.00 0.00 56.93 57.11 1fl7 s PHE 53 Cb 0.00 -1.73 -0.11 0.00 -0.63 0.00 0.00 43.02 40.55 1fl7 s PHE 53 CO 0.00 0.57 -0.13 1.17 -0.05 0.00 0.00 175.22 176.79 1fl7 n LYS 54 N 0.73 0.48 -3.78 1.99 4.81 -0.37 -4.87 118.16 117.15 1fl7 n LYS 54 Ca -0.09 0.09 -0.14 0.00 -0.87 0.00 0.00 58.31 57.29 1fl7 n LYS 54 Cb 0.52 -1.31 -0.15 0.00 0.02 0.00 0.00 35.03 34.11 1fl7 n LYS 54 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1fl7 s GLU 55 N -2.31 0.04 -0.21 1.64 0.41 -1.21 -4.97 118.70 112.08 1fl7 s GLU 55 Ca -0.20 0.23 -0.03 0.00 -0.41 0.00 0.00 54.97 54.56 1fl7 s GLU 55 Cb 0.05 -0.15 0.06 0.00 -1.78 0.00 0.00 34.13 32.32 1fl7 s GLU 55 CO 0.37 -0.13 0.04 -0.48 -0.49 0.00 0.00 175.26 174.57 1fl7 s LEU 56 N 0.84 1.25 0.11 1.80 2.34 -1.26 0.16 118.68 123.92 1fl7 s LEU 56 Ca -0.07 -0.90 -0.14 0.00 0.06 0.00 0.00 54.13 53.09 1fl7 s LEU 56 Cb -0.09 -0.61 -0.07 0.00 -0.56 0.00 0.00 46.19 44.86 1fl7 s LEU 56 CO -0.03 -0.32 0.51 0.68 -1.06 0.00 0.00 176.35 176.13 1fl7 s VAL 57 N 1.84 4.90 0.49 1.48 -7.23 -0.70 -4.77 120.40 116.41 1fl7 s VAL 57 Ca -0.00 0.81 -0.03 0.00 -1.81 0.00 0.00 61.98 60.95 1fl7 s VAL 57 Cb -0.17 -3.74 -0.01 0.00 0.56 0.00 0.00 36.38 33.02 1fl7 s VAL 57 CO -0.10 0.32 0.76 -0.31 -0.31 0.00 0.00 175.10 175.46 1fl7 s TYR 58 N -1.37 3.38 0.31 2.82 1.51 -1.26 -1.18 117.35 121.56 1fl7 s TYR 58 Ca 0.34 0.56 -0.00 0.00 -1.01 0.00 0.00 57.07 56.96 1fl7 s TYR 58 Cb -0.15 -2.38 -0.01 0.00 -0.11 0.00 0.00 41.96 39.30 1fl7 s TYR 58 CO 0.18 -0.41 0.37 -1.21 -1.11 0.00 0.00 175.55 173.38 1fl7 s GLU 59 N -4.72 1.75 0.01 -0.62 2.02 -0.71 -4.91 118.70 111.52 1fl7 s GLU 59 Ca 0.49 -1.78 -0.12 0.00 0.02 0.00 0.00 54.97 53.57 1fl7 s GLU 59 Cb -0.10 0.39 0.02 0.00 0.10 0.00 0.00 34.13 34.53 1fl7 s GLU 59 CO 0.42 -0.69 0.26 0.95 0.02 0.00 0.00 175.26 176.22 1fl7 s THR 60 N -3.38 0.07 0.15 3.63 -4.23 -1.26 -0.72 115.64 109.91 1fl7 s THR 60 Ca 0.34 -0.61 -0.06 0.00 -1.18 0.00 0.00 61.69 60.19 1fl7 s THR 60 Cb 0.01 -0.66 -0.02 0.00 1.34 0.00 0.00 72.50 73.17 1fl7 s THR 60 CO 0.21 -0.33 0.19 0.54 -0.54 0.00 0.00 174.62 174.68 1fl7 s VAL 61 N -1.69 0.08 -0.15 2.29 0.11 0.89 -4.94 120.40 116.99 1fl7 s VAL 61 Ca -0.11 -1.61 -0.25 0.00 -2.93 0.00 0.00 61.98 57.08 1fl7 s VAL 61 Cb -0.05 -1.92 -0.02 0.00 -1.53 0.00 0.00 36.38 32.87 1fl7 s VAL 61 CO 0.02 -0.38 0.80 -0.60 -3.33 0.00 0.00 175.10 171.61 1fl7 s ARG 62 N -4.00 4.31 -0.34 1.54 3.52 -1.26 -1.34 118.95 121.38 1fl7 s ARG 62 Ca 0.20 0.97 -0.01 0.00 -0.13 0.00 0.00 55.73 56.76 1fl7 s ARG 62 Cb 0.05 -3.56 0.08 0.00 -1.56 0.00 0.00 34.95 29.96 1fl7 s ARG 62 CO 0.01 -0.26 0.06 0.14 -0.81 0.00 0.00 175.30 174.43 1fl7 s VAL 63 N 1.92 2.91 0.61 7.11 -7.23 0.17 -4.98 120.40 120.91 1fl7 s VAL 63 Ca 0.38 -1.75 -0.17 0.00 -1.81 0.00 0.00 61.98 58.63 1fl7 s VAL 63 Cb -0.17 -2.84 -0.14 0.00 0.56 0.00 0.00 36.38 33.79 1fl7 s VAL 63 CO 0.13 -0.35 -0.31 -2.65 -0.31 0.00 0.00 175.10 171.62 1fl7 n PRO 64 N 4.54 0.00 0.00 4.82 -0.02 -1.26 -1.68 135.00 141.40 1fl7 n PRO 64 Ca -0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.41 1fl7 n PRO 64 Cb 0.42 -0.94 0.00 0.00 -0.02 0.00 0.00 33.50 32.96 1fl7 n PRO 64 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1fl7 n GLY 65 N 2.63 2.84 0.00 -1.23 0.00 -1.26 -4.59 105.19 103.59 1fl7 n GLY 65 Ca 0.05 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.20 1fl7 n GLY 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fl7 n ALA 67 N -3.00 0.00 -1.70 0.00 0.00 -1.26 -1.74 120.51 112.81 1fl7 n ALA 67 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 1fl7 n ALA 67 Cb 0.00 0.00 0.19 0.00 0.00 0.00 0.00 19.45 19.64 1fl7 n ALA 67 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1fl7 n HIS 68 N -1.33 0.00 -3.80 0.00 8.25 -1.26 -5.02 115.22 112.07 1fl7 n HIS 68 Ca 0.00 -1.37 -0.13 0.00 -0.26 0.00 0.00 57.72 55.97 1fl7 n HIS 68 Cb 0.00 -0.24 -0.13 0.00 1.12 0.00 0.00 29.99 30.75 1fl7 n HIS 68 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1fl7 s HIS 69 N -2.84 -0.18 0.11 4.41 4.02 -0.71 -5.14 115.29 114.96 1fl7 s HIS 69 Ca 0.37 0.46 -0.30 0.00 1.02 0.00 0.00 55.06 56.61 1fl7 s HIS 69 Cb 0.37 0.03 -0.06 0.00 -1.02 0.00 0.00 32.58 31.90 1fl7 s HIS 69 CO -0.08 -0.11 0.97 0.00 1.02 0.00 0.00 174.74 176.55 1fl7 s ALA 70 N 0.38 3.25 0.32 -1.40 0.00 -1.26 -1.07 121.76 121.97 1fl7 s ALA 70 Ca -0.02 0.59 -0.29 0.00 0.00 0.00 0.00 51.96 52.24 1fl7 s ALA 70 Cb -0.04 -3.29 -0.12 0.00 0.00 0.00 0.00 23.12 19.67 1fl7 s ALA 70 CO -0.02 -0.06 1.42 -0.40 0.00 0.00 0.00 175.76 176.70 1fl7 n ASP 71 N 2.86 3.22 -1.12 0.00 5.75 -1.26 -4.67 116.55 121.32 1fl7 n ASP 71 Ca 0.03 1.19 0.00 0.00 -0.01 0.00 0.00 54.79 55.99 1fl7 n ASP 71 Cb 0.49 -1.53 0.00 0.00 -1.03 0.00 0.00 41.12 39.05 1fl7 n ASP 71 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1fl7 n SER 72 N 1.25 1.98 -4.57 -1.12 3.41 -0.68 -4.81 113.62 109.08 1fl7 n SER 72 Ca 0.06 -0.56 -0.33 0.00 -0.26 0.00 0.00 58.87 57.77 1fl7 n SER 72 Cb 0.36 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.20 1fl7 n SER 72 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1fl7 s LEU 73 N 0.00 3.11 -0.05 1.04 1.43 -1.26 -0.66 118.68 122.29 1fl7 s LEU 73 Ca 0.00 -0.07 0.02 0.00 -1.03 0.00 0.00 54.13 53.05 1fl7 s LEU 73 Cb 0.00 -1.70 0.01 0.00 0.03 0.00 0.00 46.19 44.53 1fl7 s LEU 73 CO 0.00 0.34 -0.11 -0.47 0.23 0.00 0.00 176.35 176.35 1fl7 s TYR 74 N -0.84 1.25 -0.17 0.29 5.04 -0.45 -4.95 117.35 117.52 1fl7 s TYR 74 Ca 0.13 -0.41 -0.05 0.00 -2.44 0.00 0.00 57.07 54.31 1fl7 s TYR 74 Cb -0.11 -0.92 -0.03 0.00 0.35 0.00 0.00 41.96 41.25 1fl7 s TYR 74 CO 0.03 -0.21 -0.01 0.95 -1.34 0.00 0.00 175.55 174.97 1fl7 s THR 75 N 0.53 4.10 0.02 4.34 -4.23 -1.26 -0.08 115.64 119.06 1fl7 s THR 75 Ca -0.10 -0.28 0.03 0.00 -1.18 0.00 0.00 61.69 60.16 1fl7 s THR 75 Cb -0.14 -2.82 -0.01 0.00 1.34 0.00 0.00 72.50 70.87 1fl7 s THR 75 CO 0.02 0.47 -0.10 -0.72 -0.54 0.00 0.00 174.62 173.75 1fl7 s TYR 76 N 0.48 0.90 0.47 3.99 -0.85 0.11 -4.93 117.35 117.52 1fl7 s TYR 76 Ca -0.02 -0.27 -0.23 0.00 -0.52 0.00 0.00 57.07 56.03 1fl7 s TYR 76 Cb -0.14 -0.55 -0.07 0.00 0.38 0.00 0.00 41.96 41.58 1fl7 s TYR 76 CO 0.02 -0.01 1.19 -1.25 -1.52 0.00 0.00 175.55 173.98 1fl7 s PRO 77 N -0.75 3.69 -0.02 -3.49 0.04 -1.26 -1.73 135.00 131.48 1fl7 s PRO 77 Ca 0.00 1.83 0.02 0.00 0.04 0.00 0.00 61.00 62.89 1fl7 s PRO 77 Cb -0.06 -2.39 0.00 0.00 0.04 0.00 0.00 34.50 32.10 1fl7 s PRO 77 CO 0.00 -0.62 -0.07 0.08 0.04 0.00 0.00 177.00 176.43 1fl7 s VAL 78 N -1.52 0.61 0.01 -0.36 1.01 -0.32 -4.92 120.40 114.91 1fl7 s VAL 78 Ca 0.64 -0.27 -0.30 0.00 0.00 0.00 0.00 61.98 62.05 1fl7 s VAL 78 Cb -0.30 -0.56 -0.05 0.00 0.00 0.00 0.00 36.38 35.48 1fl7 s VAL 78 CO 0.36 0.20 1.28 0.00 0.00 0.00 0.00 175.10 176.94 1fl7 s ALA 79 N 0.23 3.51 -0.16 5.51 0.00 -0.68 -1.73 121.76 128.45 1fl7 s ALA 79 Ca -0.03 0.81 -0.15 0.00 0.00 0.00 0.00 51.96 52.59 1fl7 s ALA 79 Cb -0.08 -3.53 -0.23 0.00 0.00 0.00 0.00 23.12 19.29 1fl7 s ALA 79 CO 0.00 -0.72 0.33 1.15 0.00 0.00 0.00 175.76 176.52 1fl7 h THR 80 N 4.79 0.82 -2.58 0.00 2.02 0.13 -3.44 112.91 114.65 1fl7 h THR 80 Ca -0.38 -2.28 -0.10 0.00 0.77 0.00 0.00 66.41 64.42 1fl7 h THR 80 Cb 1.18 2.41 -0.23 0.00 -1.74 0.00 0.00 68.15 69.78 1fl7 h THR 80 CO 0.87 0.60 -0.14 -1.58 0.37 0.00 0.00 175.52 175.64 1fl7 s GLN 81 N -2.46 0.61 0.04 6.66 0.74 -1.17 -4.96 119.66 119.12 1fl7 s GLN 81 Ca -0.25 0.56 0.05 0.00 0.05 0.00 0.00 55.36 55.76 1fl7 s GLN 81 Cb 0.06 0.29 -0.04 0.00 1.10 0.00 0.00 33.01 34.43 1fl7 s GLN 81 CO 0.69 -0.10 -0.09 0.00 -0.55 0.00 0.00 175.29 175.24 1fl7 n HIS 83 N 1.27 -1.61 -2.74 0.00 1.44 -1.21 -4.91 115.22 107.47 1fl7 n HIS 83 Ca -0.15 -2.18 -0.37 0.00 -2.01 0.00 0.00 57.72 53.02 1fl7 n HIS 83 Cb 0.52 0.61 0.00 0.00 0.12 0.00 0.00 29.99 31.24 1fl7 n HIS 83 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1fl7 n GLY 85 N -0.11 1.22 3.13 0.00 0.00 -0.94 -3.53 105.19 104.97 1fl7 n GLY 85 Ca 0.42 -1.59 -0.33 0.00 0.00 0.00 0.00 46.02 44.52 1fl7 n GLY 85 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1fl7 s LYS 86 N 1.31 2.50 0.00 1.61 -2.85 -1.26 0.68 119.74 121.73 1fl7 s LYS 86 Ca 0.00 -1.19 -0.33 0.00 -1.00 0.00 0.00 55.97 53.45 1fl7 s LYS 86 Cb 0.00 -2.95 -0.17 0.00 -2.06 0.00 0.00 37.83 32.65 1fl7 s LYS 86 CO 0.00 -0.51 0.89 0.00 0.10 0.00 0.00 175.35 175.83 1fl7 s ASP 88 N -0.02 6.39 0.60 0.00 -1.08 -1.26 -4.85 116.67 116.45 1fl7 s ASP 88 Ca 0.76 -1.13 0.28 0.00 -0.52 0.00 0.00 52.55 51.94 1fl7 s ASP 88 Cb -1.06 -2.56 1.39 0.00 -1.46 0.00 0.00 42.92 39.22 1fl7 s ASP 88 CO 0.48 -1.61 1.80 -1.28 0.52 0.00 0.00 175.17 175.07 1fl7 h SER 89 N 9.86 0.00 -0.07 -0.34 0.87 -1.86 0.25 113.55 122.27 1fl7 h SER 89 Ca 0.04 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.57 1fl7 h SER 89 Cb 1.02 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.96 1fl7 h SER 89 CO 1.38 0.00 0.05 0.47 -0.53 0.00 0.00 176.83 178.20 1fl7 n ASP 90 N -3.53 3.30 0.00 6.23 9.92 -1.26 -3.66 116.55 127.55 1fl7 n ASP 90 Ca 0.09 -2.15 0.00 0.00 -0.53 0.00 0.00 54.79 52.20 1fl7 n ASP 90 Cb 0.77 -0.58 0.00 0.00 -0.64 0.00 0.00 41.12 40.67 1fl7 n ASP 90 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1fl7 n SER 91 N 0.48 0.00 -4.31 -2.24 3.41 -0.19 -5.15 113.62 105.62 1fl7 n SER 91 Ca 0.04 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.37 1fl7 n SER 91 Cb 0.57 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.38 1fl7 n SER 91 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1fl7 s THR 92 N 0.00 1.97 -0.69 6.66 2.01 0.70 -5.05 115.64 121.25 1fl7 s THR 92 Ca 0.00 -1.31 -0.17 0.00 0.31 0.00 0.00 61.69 60.52 1fl7 s THR 92 Cb 0.00 -1.69 0.14 0.00 0.01 0.00 0.00 72.50 70.96 1fl7 s THR 92 CO 0.00 0.32 0.74 -0.62 -0.69 0.00 0.00 174.62 174.37 1fl7 s ASP 93 N -1.19 6.39 -0.49 3.53 2.15 -1.26 -4.40 116.67 121.40 1fl7 s ASP 93 Ca 0.10 -1.89 -0.26 0.00 0.43 0.00 0.00 52.55 50.93 1fl7 s ASP 93 Cb -0.10 -2.27 0.03 0.00 -0.30 0.00 0.00 42.92 40.28 1fl7 s ASP 93 CO 0.02 -0.93 0.99 0.00 -0.17 0.00 0.00 175.17 175.08 1fl7 n THR 95 N 6.49 0.00 -0.06 0.00 -2.24 -1.26 -5.06 114.28 112.15 1fl7 n THR 95 Ca 0.07 -1.90 -0.20 0.00 -2.27 0.00 0.00 64.05 59.75 1fl7 n THR 95 Cb 0.48 0.50 -0.13 0.00 -2.10 0.00 0.00 70.33 69.08 1fl7 n THR 95 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1fl7 n VAL 96 N -0.90 1.64 -3.73 2.28 0.31 -1.26 -4.91 118.33 111.76 1fl7 n VAL 96 Ca -0.12 -0.61 -0.14 0.00 -0.01 0.00 0.00 64.34 63.45 1fl7 n VAL 96 Cb 0.50 -1.58 -0.15 0.00 -0.91 0.00 0.00 33.84 31.70 1fl7 n VAL 96 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 1fl7 s ARG 97 N -2.54 0.09 0.38 5.55 6.06 -1.26 -5.16 118.95 122.07 1fl7 s ARG 97 Ca -0.29 0.42 0.02 0.00 -2.50 0.00 0.00 55.73 53.39 1fl7 s ARG 97 Cb 0.08 -0.19 0.02 0.00 0.06 0.00 0.00 34.95 34.92 1fl7 s ARG 97 CO 0.69 -0.20 0.20 0.41 -2.50 0.00 0.00 175.30 173.90 1fl7 n GLY 98 N 4.46 3.11 0.23 8.12 0.00 -1.26 -5.03 105.19 114.82 1fl7 n GLY 98 Ca -0.22 -2.28 0.06 0.00 0.00 0.00 0.00 46.02 43.58 1fl7 n GLY 98 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1fl7 h LEU 99 N 0.00 0.00 0.00 0.99 3.38 -2.01 -3.49 115.31 114.18 1fl7 h LEU 99 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1fl7 h LEU 99 Cb 0.91 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.66 1fl7 h LEU 99 CO 0.43 0.16 0.00 0.61 0.09 0.00 0.00 178.44 179.73 1fl7 n GLY 100 N -1.02 2.63 0.41 0.83 0.00 -1.26 -4.54 105.19 102.24 1fl7 n GLY 100 Ca -0.02 -1.56 0.24 0.00 0.00 0.00 0.00 46.02 44.67 1fl7 n GLY 100 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1fl7 h PRO 101 N 0.00 0.36 -0.64 1.61 0.13 -1.94 -1.41 132.00 130.11 1fl7 h PRO 101 Ca 0.00 -0.02 -0.11 0.00 -0.87 0.00 0.00 66.00 65.00 1fl7 h PRO 101 Cb 0.00 -0.08 -0.06 0.00 0.13 0.00 0.00 31.00 30.98 1fl7 h PRO 101 CO 0.00 0.24 0.13 -1.13 -0.23 0.00 0.00 178.00 177.01 1fl7 n SER 102 N -4.66 5.19 -4.69 1.44 3.41 -1.25 -1.97 113.62 111.09 1fl7 n SER 102 Ca 0.27 -3.09 -0.42 0.00 -0.26 0.00 0.00 58.87 55.36 1fl7 n SER 102 Cb 0.93 -0.71 -0.03 0.00 -0.26 0.00 0.00 64.21 64.14 1fl7 n SER 102 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1fl7 s TYR 103 N -2.90 2.98 -0.24 7.33 5.04 -0.54 -4.77 117.35 124.25 1fl7 s TYR 103 Ca 0.54 0.97 0.00 0.00 -2.44 0.00 0.00 57.07 56.14 1fl7 s TYR 103 Cb 0.43 -3.57 0.04 0.00 0.35 0.00 0.00 41.96 39.20 1fl7 s TYR 103 CO 0.14 -2.02 -0.10 0.00 -1.34 0.00 0.00 175.55 172.24 1fl7 n SER 105 N 4.58 7.33 0.00 0.00 3.41 -1.26 -4.90 113.62 122.78 1fl7 n SER 105 Ca -0.16 -3.70 0.00 0.00 -0.26 0.00 0.00 58.87 54.74 1fl7 n SER 105 Cb 0.46 -1.15 0.00 0.00 -0.26 0.00 0.00 64.21 63.26 1fl7 n SER 105 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1fl7 n PHE 106 N -0.11 0.00 -4.11 7.33 3.01 -1.26 -3.21 117.46 119.11 1fl7 n PHE 106 Ca 0.47 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 58.60 1fl7 n PHE 106 Cb 0.26 -0.44 -0.16 0.00 -0.01 0.00 0.00 39.48 39.13 1fl7 n PHE 106 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1fl7 s GLY 107 N -2.82 1.43 0.76 1.37 0.00 -1.26 -4.10 107.32 102.70 1fl7 s GLY 107 Ca 0.00 -1.28 -0.16 0.00 0.00 0.00 0.00 44.72 43.28 1fl7 s GLY 107 CO 0.00 0.32 0.43 -2.21 0.00 0.00 0.00 173.10 171.64 1fl7 n GLU 108 N 4.60 0.19 -0.92 2.90 4.07 -1.20 -5.18 120.64 125.12 1fl7 n GLU 108 Ca -0.20 0.10 0.00 0.00 -0.06 0.00 0.00 57.16 57.00 1fl7 n GLU 108 Cb 0.49 -1.76 0.00 0.00 -0.06 0.00 0.00 31.44 30.11 1fl7 n GLU 108 CO 0.00 0.00 0.00 -0.12 -0.06 0.00 0.00 177.13 176.95