#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fl7 s GLU 4 N 0.00 0.78 0.05 0.00 1.03 -0.89 -4.62 118.70 115.05 1fl7 s GLU 4 Ca 0.00 -0.68 -0.36 0.00 0.03 0.00 0.00 54.97 53.96 1fl7 s GLU 4 Cb 0.00 0.33 -0.15 0.00 -0.80 0.00 0.00 34.13 33.50 1fl7 s GLU 4 CO 0.00 -0.24 1.50 1.28 -1.33 0.00 0.00 175.26 176.47 1fl7 n LEU 5 N 0.43 2.31 -4.14 1.83 4.77 -1.26 -3.34 117.00 117.59 1fl7 n LEU 5 Ca -0.18 1.09 -0.18 0.00 -0.03 0.00 0.00 56.01 56.72 1fl7 n LEU 5 Cb 0.60 -1.27 -0.12 0.00 -2.33 0.00 0.00 43.42 40.30 1fl7 n LEU 5 CO 0.22 -0.67 -0.45 0.42 -1.33 0.00 0.00 177.39 175.58 1fl7 s THR 6 N 1.28 1.00 -0.12 -5.08 -4.23 0.11 -4.96 115.64 103.64 1fl7 s THR 6 Ca 0.85 -1.20 -0.29 0.00 -1.18 0.00 0.00 61.69 59.87 1fl7 s THR 6 Cb -0.87 -0.97 -0.01 0.00 1.34 0.00 0.00 72.50 72.00 1fl7 s THR 6 CO 0.47 -0.21 0.97 0.20 -0.54 0.00 0.00 174.62 175.51 1fl7 s ASN 7 N -1.59 7.19 0.39 3.99 0.01 -1.26 -1.32 114.94 122.35 1fl7 s ASN 7 Ca -0.03 1.47 0.04 0.00 -0.71 0.00 0.00 52.86 53.62 1fl7 s ASN 7 Cb -0.10 -2.54 -0.03 0.00 0.41 0.00 0.00 41.25 39.00 1fl7 s ASN 7 CO 0.02 -0.43 0.12 0.27 -1.51 0.00 0.00 177.10 175.57 1fl7 s ILE 8 N 2.01 0.64 -0.19 0.60 -4.36 -0.06 -4.95 121.20 114.89 1fl7 s ILE 8 Ca 0.46 -2.00 -0.03 0.00 -0.26 0.00 0.00 60.65 58.82 1fl7 s ILE 8 Cb -0.18 -2.41 0.06 0.00 1.25 0.00 0.00 42.46 41.18 1fl7 s ILE 8 CO 0.17 0.00 0.04 0.42 0.24 0.00 0.00 174.94 175.81 1fl7 s THR 9 N -3.25 0.47 0.80 8.37 -4.23 -1.26 -0.36 115.64 116.19 1fl7 s THR 9 Ca 0.26 -0.54 -0.10 0.00 -1.18 0.00 0.00 61.69 60.13 1fl7 s THR 9 Cb 0.03 -1.00 0.18 0.00 1.34 0.00 0.00 72.50 73.05 1fl7 s THR 9 CO 0.15 -0.22 1.10 2.30 -0.54 0.00 0.00 174.62 177.40 1fl7 n ILE 10 N 5.07 0.00 -4.85 2.99 -5.35 -0.98 -4.18 119.36 112.06 1fl7 n ILE 10 Ca -0.09 -1.06 -0.31 0.00 -0.27 0.00 0.00 62.75 61.02 1fl7 n ILE 10 Cb 0.47 -1.36 -0.17 0.00 -1.74 0.00 0.00 39.64 36.85 1fl7 n ILE 10 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1fl7 s ALA 11 N -3.70 2.10 -0.28 -1.28 0.00 -0.94 -3.01 121.76 114.64 1fl7 s ALA 11 Ca 0.65 -0.96 -0.14 0.00 0.00 0.00 0.00 51.96 51.50 1fl7 s ALA 11 Cb -0.02 -0.88 -0.03 0.00 0.00 0.00 0.00 23.12 22.18 1fl7 s ALA 11 CO 0.45 0.09 0.34 0.42 0.00 0.00 0.00 175.76 177.06 1fl7 s ILE 12 N 0.65 5.19 -0.27 0.00 1.01 0.16 -4.95 121.20 122.99 1fl7 s ILE 12 Ca -0.12 0.41 -0.08 0.00 0.00 0.00 0.00 60.65 60.87 1fl7 s ILE 12 Cb -0.16 -3.70 -0.02 0.00 0.01 0.00 0.00 42.46 38.59 1fl7 s ILE 12 CO 0.03 0.12 0.09 -0.70 0.00 0.00 0.00 174.94 174.48 1fl7 s GLU 13 N 2.02 3.56 -0.64 2.79 2.12 -1.26 -0.41 118.70 126.89 1fl7 s GLU 13 Ca 0.13 -0.54 -0.15 0.00 0.36 0.00 0.00 54.97 54.77 1fl7 s GLU 13 Cb -0.16 -3.39 0.16 0.00 0.26 0.00 0.00 34.13 31.01 1fl7 s GLU 13 CO 0.10 -0.25 0.58 0.21 -0.54 0.00 0.00 175.26 175.37 1fl7 s LYS 14 N 1.61 3.16 0.07 4.30 2.47 0.12 -4.95 119.74 126.52 1fl7 s LYS 14 Ca 0.06 -2.00 -0.27 0.00 -1.56 0.00 0.00 55.97 52.20 1fl7 s LYS 14 Cb -0.16 -4.30 -0.12 0.00 -1.46 0.00 0.00 37.83 31.79 1fl7 s LYS 14 CO 0.04 -1.30 1.43 0.93 0.16 0.00 0.00 175.35 176.61 1fl7 h GLU 15 N 8.43 -0.65 -1.49 4.03 5.08 -1.97 -1.98 114.58 126.03 1fl7 h GLU 15 Ca -0.15 0.04 0.48 0.00 -1.00 0.00 0.00 59.36 58.74 1fl7 h GLU 15 Cb 1.07 0.15 -0.12 0.00 0.50 0.00 0.00 28.75 30.35 1fl7 h GLU 15 CO 0.92 -0.43 0.99 0.93 -1.00 0.00 0.00 179.01 180.42 1fl7 h GLU 16 N -0.67 0.04 -0.47 2.33 3.07 -1.96 0.60 114.58 117.51 1fl7 h GLU 16 Ca -0.02 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 1fl7 h GLU 16 Cb 0.63 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.53 1fl7 h GLU 16 CO -0.15 0.02 0.00 0.00 -1.40 0.00 0.00 179.01 177.48 1fl7 n ARG 18 N 0.68 -0.67 -3.55 0.00 1.74 0.21 -4.96 116.66 110.11 1fl7 n ARG 18 Ca 0.19 0.30 -0.07 0.00 -0.77 0.00 0.00 57.85 57.51 1fl7 n ARG 18 Cb 0.65 -2.52 -0.02 0.00 -1.02 0.00 0.00 32.46 29.55 1fl7 n ARG 18 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 1fl7 s PHE 19 N -3.36 -0.24 0.07 -1.55 -0.00 -1.14 -4.83 117.98 106.93 1fl7 s PHE 19 Ca 0.34 0.17 0.07 0.00 -0.00 0.00 0.00 56.93 57.50 1fl7 s PHE 19 Cb -0.18 0.52 -0.03 0.00 -0.00 0.00 0.00 43.02 43.33 1fl7 s PHE 19 CO 0.94 -0.37 -0.18 0.00 -0.00 0.00 0.00 175.22 175.62 1fl7 s ILE 21 N -1.02 2.81 -0.03 0.00 -4.36 0.46 -4.92 121.20 114.13 1fl7 s ILE 21 Ca 0.04 -2.09 0.06 0.00 -0.26 0.00 0.00 60.65 58.40 1fl7 s ILE 21 Cb -0.09 -2.66 -0.02 0.00 1.25 0.00 0.00 42.46 40.93 1fl7 s ILE 21 CO 0.02 -0.31 -0.20 -0.94 0.24 0.00 0.00 174.94 173.75 1fl7 s SER 22 N -3.64 3.52 -0.04 4.36 1.04 -1.26 0.36 113.70 118.04 1fl7 s SER 22 Ca 0.32 -0.34 0.03 0.00 0.48 0.00 0.00 55.95 56.44 1fl7 s SER 22 Cb -0.03 -0.58 0.00 0.00 0.10 0.00 0.00 66.02 65.51 1fl7 s SER 22 CO 0.18 0.33 -0.11 -0.51 0.98 0.00 0.00 173.24 174.12 1fl7 s ILE 23 N -0.67 0.93 0.47 -1.02 2.07 -1.16 -4.96 121.20 116.86 1fl7 s ILE 23 Ca 0.11 -0.42 -0.20 0.00 -1.41 0.00 0.00 60.65 58.73 1fl7 s ILE 23 Cb -0.10 -0.83 -0.09 0.00 0.13 0.00 0.00 42.46 41.57 1fl7 s ILE 23 CO -0.00 0.29 1.00 0.21 -1.91 0.00 0.00 174.94 174.53 1fl7 s ASN 24 N 0.28 6.56 -0.13 4.50 3.84 -1.26 -2.33 114.94 126.41 1fl7 s ASN 24 Ca -0.05 1.79 -0.30 0.00 0.21 0.00 0.00 52.86 54.51 1fl7 s ASN 24 Cb -0.11 -2.55 0.10 0.00 -0.55 0.00 0.00 41.25 38.15 1fl7 s ASN 24 CO 0.01 -0.63 0.83 0.28 -2.79 0.00 0.00 177.10 174.81 1fl7 s THR 25 N -2.15 0.00 -0.15 -5.21 -1.32 0.51 -4.90 115.64 102.42 1fl7 s THR 25 Ca 0.64 0.00 -0.20 0.00 -1.21 0.00 0.00 61.69 60.92 1fl7 s THR 25 Cb -0.13 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.83 1fl7 s THR 25 CO 0.20 0.00 0.59 0.00 -2.21 0.00 0.00 174.62 173.20 1fl7 s ALA 26 N -0.95 3.48 0.19 11.08 0.00 -1.26 -0.88 121.76 133.43 1fl7 s ALA 26 Ca -0.06 -0.18 0.04 0.00 0.00 0.00 0.00 51.96 51.77 1fl7 s ALA 26 Cb -0.01 -2.86 -0.02 0.00 0.00 0.00 0.00 23.12 20.23 1fl7 s ALA 26 CO 0.05 -0.29 0.16 0.91 0.00 0.00 0.00 175.76 176.59 1fl7 n TRP 27 N 4.37 -0.45 -3.66 0.00 7.02 -0.43 -1.61 117.44 122.68 1fl7 n TRP 27 Ca -0.03 -1.63 -0.37 0.00 -1.02 0.00 0.00 57.50 54.45 1fl7 n TRP 27 Cb 0.51 0.17 -0.06 0.00 -2.42 0.00 0.00 31.31 29.50 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 -1.14 -1.98 0.00 0.00 0.00 -1.21 -4.85 121.76 112.57 1fl7 s ALA 29 Ca 0.23 1.82 0.00 0.00 0.00 0.00 0.00 51.96 54.01 1fl7 s ALA 29 Cb -0.14 -1.33 0.00 0.00 0.00 0.00 0.00 23.12 21.64 1fl7 s ALA 29 CO 0.12 -0.24 0.00 0.41 0.00 0.00 0.00 175.76 176.05 1fl7 n GLY 30 N 1.93 -0.27 3.37 0.00 0.00 -1.26 -2.10 105.19 106.86 1fl7 n GLY 30 Ca -0.12 -0.84 -0.25 0.00 0.00 0.00 0.00 46.02 44.81 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 -4.00 2.09 -0.02 1.61 1.51 -1.26 -4.63 117.35 112.65 1fl7 s TYR 31 Ca 0.00 -0.40 -0.08 0.00 -1.01 0.00 0.00 57.07 55.57 1fl7 s TYR 31 Cb 0.00 -1.06 0.01 0.00 -0.11 0.00 0.00 41.96 40.80 1fl7 s TYR 31 CO 0.00 0.39 0.18 0.00 -1.11 0.00 0.00 175.55 175.01 1fl7 s TYR 33 N -1.02 3.65 0.07 0.00 5.04 -1.26 -5.06 117.35 118.77 1fl7 s TYR 33 Ca -0.11 1.34 -0.01 0.00 -2.44 0.00 0.00 57.07 55.86 1fl7 s TYR 33 Cb -0.06 -2.80 -0.04 0.00 0.35 0.00 0.00 41.96 39.41 1fl7 s TYR 33 CO 0.02 0.19 -0.02 0.95 -1.34 0.00 0.00 175.55 175.34 1fl7 s THR 34 N 0.36 0.27 0.04 4.34 -4.23 -1.26 -4.75 115.64 110.40 1fl7 s THR 34 Ca 0.38 -1.84 0.01 0.00 -1.18 0.00 0.00 61.69 59.05 1fl7 s THR 34 Cb -0.19 -1.62 -0.02 0.00 1.34 0.00 0.00 72.50 72.00 1fl7 s THR 34 CO 0.20 -0.90 -0.05 0.00 -0.54 0.00 0.00 174.62 173.33 1fl7 s ARG 35 N -3.93 0.45 -0.44 3.99 1.70 -1.26 -5.11 118.95 114.35 1fl7 s ARG 35 Ca 0.10 -0.74 -0.11 0.00 -0.47 0.00 0.00 55.73 54.51 1fl7 s ARG 35 Cb 0.08 -0.08 0.08 0.00 -0.57 0.00 0.00 34.95 34.46 1fl7 s ARG 35 CO -0.08 -0.01 0.31 0.34 -1.08 0.00 0.00 175.30 174.79 1fl7 s ASP 36 N -1.67 5.81 0.05 -2.89 2.15 -1.26 -5.04 116.67 113.83 1fl7 s ASP 36 Ca -0.11 -1.49 -0.35 0.00 0.43 0.00 0.00 52.55 51.04 1fl7 s ASP 36 Cb -0.08 -2.05 -0.14 0.00 -0.30 0.00 0.00 42.92 40.34 1fl7 s ASP 36 CO -0.01 -0.59 1.62 0.18 -0.17 0.00 0.00 175.17 176.20 1fl7 n LEU 37 N 5.01 2.87 0.15 -1.34 4.77 -1.26 -4.84 117.00 122.37 1fl7 n LEU 37 Ca -0.11 1.06 0.13 0.00 -0.03 0.00 0.00 56.01 57.06 1fl7 n LEU 37 Cb 0.43 -1.35 0.35 0.00 -2.33 0.00 0.00 43.42 40.52 1fl7 n LEU 37 CO 0.42 -0.38 0.87 -0.37 -1.33 0.00 0.00 177.39 176.60 1fl7 h VAL 38 N 4.14 0.00 -3.33 4.08 -1.51 -2.07 -3.37 116.25 114.19 1fl7 h VAL 38 Ca -0.46 -0.62 -0.63 0.00 -1.23 0.00 0.00 66.70 63.75 1fl7 h VAL 38 Cb 1.28 1.60 -0.41 0.00 -2.13 0.00 0.00 31.29 31.63 1fl7 h VAL 38 CO 0.89 0.00 -0.67 -0.47 -1.23 0.00 0.00 177.57 176.09 1fl7 s TYR 39 N -3.18 2.93 0.46 5.19 5.04 -1.26 -5.11 117.35 121.42 1fl7 s TYR 39 Ca 0.08 -2.92 0.04 0.00 -2.44 0.00 0.00 57.07 51.83 1fl7 s TYR 39 Cb 0.10 -2.58 0.04 0.00 0.35 0.00 0.00 41.96 39.87 1fl7 s TYR 39 CO 0.60 -0.78 0.34 0.36 -1.34 0.00 0.00 175.55 174.73 1fl7 n LYS 40 N 3.43 0.80 -3.88 4.97 2.85 -1.26 -5.13 118.16 119.95 1fl7 n LYS 40 Ca 0.05 -2.91 -0.27 0.00 -1.05 0.00 0.00 58.31 54.14 1fl7 n LYS 40 Cb 0.34 0.32 -0.17 0.00 -0.65 0.00 0.00 35.03 34.87 1fl7 n LYS 40 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1fl7 s ASP 41 N -3.73 2.22 0.15 -5.58 2.15 -1.26 -5.04 116.67 105.58 1fl7 s ASP 41 Ca 0.26 -0.34 -0.18 0.00 0.43 0.00 0.00 52.55 52.72 1fl7 s ASP 41 Cb -0.02 -0.80 0.04 0.00 -0.30 0.00 0.00 42.92 41.84 1fl7 s ASP 41 CO 0.17 -0.14 1.72 -0.65 -0.17 0.00 0.00 175.17 176.09 1fl7 h PRO 42 N 8.19 0.11 0.00 4.34 0.11 -2.00 -3.11 132.00 139.64 1fl7 h PRO 42 Ca -0.27 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1fl7 h PRO 42 Cb 1.13 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1fl7 h PRO 42 CO 0.39 0.07 0.00 0.00 -0.21 0.00 0.00 178.00 178.25 1fl7 n ALA 43 N -2.41 -0.17 -3.80 -0.75 0.00 -1.26 -4.24 120.51 107.88 1fl7 n ALA 43 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.10 1fl7 n ALA 43 Cb 0.15 0.21 -0.11 0.00 0.00 0.00 0.00 19.45 19.70 1fl7 n ALA 43 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1fl7 s ARG 44 N -2.37 2.29 0.81 0.00 1.81 -1.23 -5.09 118.95 115.17 1fl7 s ARG 44 Ca 0.00 -2.43 -0.11 0.00 -1.72 0.00 0.00 55.73 51.46 1fl7 s ARG 44 Cb 0.00 -3.58 0.08 0.00 -0.45 0.00 0.00 34.95 31.00 1fl7 s ARG 44 CO 0.00 -1.13 1.09 -1.25 -0.68 0.00 0.00 175.30 173.33 1fl7 s PRO 45 N 0.08 1.94 0.13 3.54 0.04 -1.18 -4.67 135.00 134.90 1fl7 s PRO 45 Ca 0.16 0.71 -0.25 0.00 0.04 0.00 0.00 61.00 61.65 1fl7 s PRO 45 Cb -0.22 -1.90 -0.07 0.00 0.04 0.00 0.00 34.50 32.35 1fl7 s PRO 45 CO -0.03 -1.74 0.78 0.21 0.04 0.00 0.00 177.00 176.26 1fl7 s LYS 46 N -5.10 4.55 -0.09 4.56 2.20 -1.26 -5.04 119.74 119.56 1fl7 s LYS 46 Ca 0.61 1.14 -0.20 0.00 -0.36 0.00 0.00 55.97 57.17 1fl7 s LYS 46 Cb -0.15 -3.29 -0.04 0.00 -1.51 0.00 0.00 37.83 32.84 1fl7 s LYS 46 CO 0.55 0.49 0.55 0.42 -0.36 0.00 0.00 175.35 177.00 1fl7 s ILE 47 N -0.84 5.13 0.15 5.43 -1.09 -1.26 -5.07 121.20 123.65 1fl7 s ILE 47 Ca 0.37 1.11 -0.08 0.00 -2.23 0.00 0.00 60.65 59.82 1fl7 s ILE 47 Cb -0.22 -3.89 -0.06 0.00 -1.58 0.00 0.00 42.46 36.71 1fl7 s ILE 47 CO 0.26 0.31 0.44 -1.10 -1.23 0.00 0.00 174.94 173.61 1fl7 s GLN 48 N 0.61 3.72 1.02 2.79 -0.21 -1.26 -5.01 119.66 121.32 1fl7 s GLN 48 Ca 0.30 0.11 -0.12 0.00 0.02 0.00 0.00 55.36 55.67 1fl7 s GLN 48 Cb -0.16 -2.84 0.20 0.00 1.00 0.00 0.00 33.01 31.21 1fl7 s GLN 48 CO 0.13 0.46 1.08 0.15 -2.12 0.00 0.00 175.29 174.98 1fl7 s LYS 49 N -2.45 0.24 -0.02 2.91 -0.14 -1.26 -4.64 119.74 114.39 1fl7 s LYS 49 Ca 0.40 0.79 -0.25 0.00 -1.36 0.00 0.00 55.97 55.54 1fl7 s LYS 49 Cb -0.13 -1.69 0.06 0.00 -1.68 0.00 0.00 37.83 34.39 1fl7 s LYS 49 CO 0.21 -2.93 0.56 0.99 -0.76 0.00 0.00 175.35 173.43 1fl7 s THR 50 N -2.77 0.02 0.14 2.17 2.01 -0.32 -4.85 115.64 112.04 1fl7 s THR 50 Ca 0.66 -0.16 -0.31 0.00 0.31 0.00 0.00 61.69 62.19 1fl7 s THR 50 Cb -0.21 -0.91 -0.08 0.00 0.01 0.00 0.00 72.50 71.31 1fl7 s THR 50 CO 0.60 -0.09 1.39 0.00 -0.69 0.00 0.00 174.62 175.83 1fl7 s THR 52 N 0.89 0.00 0.55 0.00 -1.32 -1.01 -4.88 115.64 109.87 1fl7 s THR 52 Ca 0.63 -0.06 -0.21 0.00 -1.21 0.00 0.00 61.69 60.84 1fl7 s THR 52 Cb -0.37 -1.46 -0.05 0.00 -1.51 0.00 0.00 72.50 69.11 1fl7 s THR 52 CO 0.32 0.00 1.33 0.72 -2.21 0.00 0.00 174.62 174.78 1fl7 s PHE 53 N -2.25 2.33 -0.13 9.09 -0.12 -1.26 -1.46 117.98 124.17 1fl7 s PHE 53 Ca 0.12 1.41 0.02 0.00 -0.05 0.00 0.00 56.93 58.43 1fl7 s PHE 53 Cb 0.02 -3.74 -0.09 0.00 -0.63 0.00 0.00 43.02 38.58 1fl7 s PHE 53 CO -0.04 -2.74 -0.11 1.17 -0.05 0.00 0.00 175.22 173.45 1fl7 n LYS 54 N -1.08 0.48 -3.76 1.99 4.81 0.30 -4.78 118.16 116.13 1fl7 n LYS 54 Ca 0.11 0.07 -0.15 0.00 -0.87 0.00 0.00 58.31 57.47 1fl7 n LYS 54 Cb 0.46 -1.27 -0.16 0.00 0.02 0.00 0.00 35.03 34.07 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 -2.27 -0.03 0.21 1.64 0.41 -1.07 -4.98 118.70 112.60 1fl7 s GLU 55 Ca -0.17 0.22 0.02 0.00 -0.41 0.00 0.00 54.97 54.63 1fl7 s GLU 55 Cb 0.05 -0.26 -0.05 0.00 -1.78 0.00 0.00 34.13 32.09 1fl7 s GLU 55 CO 0.32 -0.18 0.02 -0.48 -0.49 0.00 0.00 175.26 174.45 1fl7 s LEU 56 N 1.17 2.04 0.18 1.80 2.34 -1.26 0.22 118.68 125.17 1fl7 s LEU 56 Ca -0.08 -1.23 -0.01 0.00 0.06 0.00 0.00 54.13 52.88 1fl7 s LEU 56 Cb -0.13 -0.10 -0.04 0.00 -0.56 0.00 0.00 46.19 45.36 1fl7 s LEU 56 CO -0.03 -0.58 0.09 0.68 -1.06 0.00 0.00 176.35 175.45 1fl7 s VAL 57 N -3.61 0.12 0.03 1.48 -7.23 0.12 -4.86 120.40 106.46 1fl7 s VAL 57 Ca 0.28 -1.97 0.04 0.00 -1.81 0.00 0.00 61.98 58.52 1fl7 s VAL 57 Cb 0.06 -2.33 -0.04 0.00 0.56 0.00 0.00 36.38 34.63 1fl7 s VAL 57 CO 0.07 -0.19 -0.05 -0.31 -0.31 0.00 0.00 175.10 174.31 1fl7 s TYR 58 N -4.06 2.91 0.11 2.82 1.51 -1.26 0.19 117.35 119.57 1fl7 s TYR 58 Ca 0.33 -0.04 0.04 0.00 -1.01 0.00 0.00 57.07 56.39 1fl7 s TYR 58 Cb 0.07 -1.58 -0.04 0.00 -0.11 0.00 0.00 41.96 40.31 1fl7 s TYR 58 CO 0.08 0.41 -0.10 -1.21 -1.11 0.00 0.00 175.55 173.62 1fl7 s GLU 59 N -1.72 0.92 0.08 -0.62 2.02 -0.38 -4.93 118.70 114.07 1fl7 s GLU 59 Ca 0.20 -1.26 0.07 0.00 0.02 0.00 0.00 54.97 54.00 1fl7 s GLU 59 Cb -0.11 -0.56 -0.03 0.00 0.10 0.00 0.00 34.13 33.53 1fl7 s GLU 59 CO 0.11 0.08 -0.20 0.99 0.02 0.00 0.00 175.26 176.26 1fl7 s THR 60 N -2.78 1.59 0.01 3.63 2.01 -1.26 0.03 115.64 118.87 1fl7 s THR 60 Ca 0.09 -1.40 -0.00 0.00 0.31 0.00 0.00 61.69 60.69 1fl7 s THR 60 Cb -0.01 -1.44 -0.01 0.00 0.01 0.00 0.00 72.50 71.05 1fl7 s THR 60 CO -0.00 -0.02 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.22 1fl7 s VAL 61 N -1.07 0.06 -0.50 3.82 1.01 -0.53 -4.93 120.40 118.26 1fl7 s VAL 61 Ca 0.05 -0.50 -0.23 0.00 0.00 0.00 0.00 61.98 61.31 1fl7 s VAL 61 Cb -0.10 -0.16 0.04 0.00 0.00 0.00 0.00 36.38 36.16 1fl7 s VAL 61 CO 0.03 -0.27 0.81 -0.13 0.00 0.00 0.00 175.10 175.54 1fl7 s ARG 62 N -0.80 3.32 0.10 2.72 0.52 -1.26 -0.93 118.95 122.61 1fl7 s ARG 62 Ca -0.09 -0.33 -0.23 0.00 -0.52 0.00 0.00 55.73 54.56 1fl7 s ARG 62 Cb -0.05 -4.01 -0.07 0.00 0.52 0.00 0.00 34.95 31.33 1fl7 s ARG 62 CO -0.00 -1.27 0.70 0.08 0.02 0.00 0.00 175.30 174.82 1fl7 s VAL 63 N 3.40 4.60 1.08 3.52 1.01 0.15 -4.92 120.40 129.24 1fl7 s VAL 63 Ca 0.27 1.51 -0.12 0.00 0.00 0.00 0.00 61.98 63.64 1fl7 s VAL 63 Cb -0.14 -4.05 0.24 0.00 0.00 0.00 0.00 36.38 32.43 1fl7 s VAL 63 CO 0.19 0.48 1.07 -2.16 0.00 0.00 0.00 175.10 174.68 1fl7 s PRO 64 N -0.79 -0.30 0.00 2.72 0.04 -1.26 -1.33 135.00 134.08 1fl7 s PRO 64 Ca 0.34 1.09 0.00 0.00 0.04 0.00 0.00 61.00 62.47 1fl7 s PRO 64 Cb -0.21 -1.61 0.00 0.00 0.04 0.00 0.00 34.50 32.72 1fl7 s PRO 64 CO 0.23 -3.38 0.00 0.41 0.04 0.00 0.00 177.00 174.29 1fl7 n GLY 65 N 0.63 5.03 1.85 0.56 0.00 -1.26 -4.53 105.19 107.47 1fl7 n GLY 65 Ca 0.06 -1.74 -0.02 0.00 0.00 0.00 0.00 46.02 44.32 1fl7 n GLY 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fl7 s ALA 67 N -1.50 -0.60 0.00 0.00 0.00 -1.26 -2.61 121.76 115.78 1fl7 s ALA 67 Ca 0.11 -0.37 0.00 0.00 0.00 0.00 0.00 51.96 51.70 1fl7 s ALA 67 Cb -0.01 -3.15 0.00 0.00 0.00 0.00 0.00 23.12 19.96 1fl7 s ALA 67 CO 0.03 -4.09 0.00 -2.39 0.00 0.00 0.00 175.76 169.31 1fl7 n HIS 68 N -5.14 0.00 -3.66 0.00 -0.00 -1.26 -4.78 115.22 100.38 1fl7 n HIS 68 Ca 0.05 0.00 -0.07 0.00 -0.00 0.00 0.00 57.72 57.70 1fl7 n HIS 68 Cb 0.56 -0.85 -0.08 0.00 -0.00 0.00 0.00 29.99 29.62 1fl7 n HIS 68 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 1fl7 s HIS 69 N -0.39 -0.90 0.72 -1.40 5.65 -1.07 -5.13 115.29 112.76 1fl7 s HIS 69 Ca 0.00 1.71 -0.12 0.00 0.25 0.00 0.00 55.06 56.91 1fl7 s HIS 69 Cb 0.00 0.44 0.03 0.00 -1.18 0.00 0.00 32.58 31.87 1fl7 s HIS 69 CO 0.00 -0.49 1.08 0.00 -0.65 0.00 0.00 174.74 174.68 1fl7 s ALA 70 N 2.22 2.43 0.80 1.58 0.00 -1.26 -1.52 121.76 126.01 1fl7 s ALA 70 Ca -0.06 0.29 -0.10 0.00 0.00 0.00 0.00 51.96 52.09 1fl7 s ALA 70 Cb -0.10 -3.26 0.07 0.00 0.00 0.00 0.00 23.12 19.83 1fl7 s ALA 70 CO -0.15 -1.47 1.10 0.16 0.00 0.00 0.00 175.76 175.40 1fl7 s ASP 71 N -3.28 4.24 0.06 0.00 -4.77 -1.26 -4.61 116.67 107.06 1fl7 s ASP 71 Ca 0.62 1.88 0.00 0.00 -3.30 0.00 0.00 52.55 51.75 1fl7 s ASP 71 Cb -0.17 -2.53 -0.00 0.00 -1.09 0.00 0.00 42.92 39.13 1fl7 s ASP 71 CO 0.51 -2.21 0.08 -1.54 0.70 0.00 0.00 175.17 172.71 1fl7 n SER 72 N -3.64 -0.21 -4.71 2.11 3.41 -0.44 -4.93 113.62 105.21 1fl7 n SER 72 Ca 0.10 -1.36 -0.32 0.00 -0.26 0.00 0.00 58.87 57.03 1fl7 n SER 72 Cb 0.53 0.41 -0.08 0.00 -0.26 0.00 0.00 64.21 64.80 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 3.61 -0.16 1.04 1.43 -1.26 0.30 118.68 123.63 1fl7 s LEU 73 Ca 0.06 -0.01 -0.05 0.00 -1.03 0.00 0.00 54.13 53.10 1fl7 s LEU 73 Cb -0.00 -2.16 0.06 0.00 0.03 0.00 0.00 46.19 44.12 1fl7 s LEU 73 CO 0.04 0.24 0.09 -0.47 0.23 0.00 0.00 176.35 176.49 1fl7 s TYR 74 N -1.19 0.16 -0.02 0.29 5.04 -0.10 -4.88 117.35 116.65 1fl7 s TYR 74 Ca 0.23 -0.26 -0.13 0.00 -2.44 0.00 0.00 57.07 54.47 1fl7 s TYR 74 Cb -0.12 -0.67 -0.05 0.00 0.35 0.00 0.00 41.96 41.47 1fl7 s TYR 74 CO 0.14 -0.50 0.35 0.95 -1.34 0.00 0.00 175.55 175.15 1fl7 s THR 75 N 2.15 5.14 -0.02 4.34 -4.23 -1.26 -1.45 115.64 120.31 1fl7 s THR 75 Ca 0.02 0.66 -0.06 0.00 -1.18 0.00 0.00 61.69 61.14 1fl7 s THR 75 Cb -0.16 -3.64 0.00 0.00 1.34 0.00 0.00 72.50 70.05 1fl7 s THR 75 CO -0.09 0.56 0.12 -0.72 -0.54 0.00 0.00 174.62 173.95 1fl7 s TYR 76 N -1.10 -0.03 0.30 3.99 -0.85 0.10 -4.93 117.35 114.84 1fl7 s TYR 76 Ca 0.23 0.06 -0.29 0.00 -0.52 0.00 0.00 57.07 56.54 1fl7 s TYR 76 Cb -0.15 -0.02 -0.10 0.00 0.38 0.00 0.00 41.96 42.07 1fl7 s TYR 76 CO 0.12 -0.18 1.23 -1.25 -1.52 0.00 0.00 175.55 173.94 1fl7 s PRO 77 N -0.74 4.47 0.01 -3.49 0.04 -1.26 -1.25 135.00 132.78 1fl7 s PRO 77 Ca -0.08 2.04 0.04 0.00 0.04 0.00 0.00 61.00 63.04 1fl7 s PRO 77 Cb -0.05 -3.13 -0.01 0.00 0.04 0.00 0.00 34.50 31.35 1fl7 s PRO 77 CO 0.01 -0.04 -0.14 0.08 0.04 0.00 0.00 177.00 176.95 1fl7 s VAL 78 N -1.02 1.09 0.07 -0.36 1.01 0.50 -4.92 120.40 116.76 1fl7 s VAL 78 Ca 0.48 -0.72 -0.28 0.00 0.00 0.00 0.00 61.98 61.46 1fl7 s VAL 78 Cb -0.36 -0.94 -0.05 0.00 0.00 0.00 0.00 36.38 35.03 1fl7 s VAL 78 CO 0.47 0.21 0.88 0.00 0.00 0.00 0.00 175.10 176.66 1fl7 s ALA 79 N -0.49 3.28 -0.26 5.51 0.00 -0.63 0.13 121.76 129.29 1fl7 s ALA 79 Ca 0.04 0.44 -0.13 0.00 0.00 0.00 0.00 51.96 52.32 1fl7 s ALA 79 Cb -0.06 -3.17 -0.14 0.00 0.00 0.00 0.00 23.12 19.75 1fl7 s ALA 79 CO 0.00 -0.02 -0.24 2.41 0.00 0.00 0.00 175.76 177.92 1fl7 n THR 80 N 2.96 1.53 -3.82 0.00 -1.04 0.13 -4.76 114.28 109.28 1fl7 n THR 80 Ca 0.01 -0.36 -0.13 0.00 -2.04 0.00 0.00 64.05 61.53 1fl7 n THR 80 Cb 0.50 -1.85 -0.14 0.00 -1.82 0.00 0.00 70.33 67.02 1fl7 n THR 80 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 1fl7 s GLN 81 N -2.49 0.04 0.16 -2.82 0.74 -0.54 -4.97 119.66 109.78 1fl7 s GLN 81 Ca -0.36 0.13 0.05 0.00 0.05 0.00 0.00 55.36 55.22 1fl7 s GLN 81 Cb 0.13 -0.05 -0.04 0.00 1.10 0.00 0.00 33.01 34.15 1fl7 s GLN 81 CO 0.53 -0.06 0.17 0.00 -0.55 0.00 0.00 175.29 175.38 1fl7 s HIS 83 N -1.76 -0.29 -0.50 0.00 -0.00 -0.54 -4.79 115.29 107.41 1fl7 s HIS 83 Ca 0.32 0.36 -0.27 0.00 -0.00 0.00 0.00 55.06 55.46 1fl7 s HIS 83 Cb -0.10 0.49 0.03 0.00 -0.00 0.00 0.00 32.58 33.00 1fl7 s HIS 83 CO 0.25 -0.35 1.07 0.00 -0.00 0.00 0.00 174.74 175.71 1fl7 s GLY 85 N 2.56 0.97 0.57 0.00 0.00 -0.64 -4.74 107.32 106.05 1fl7 s GLY 85 Ca 0.42 -1.16 -0.21 0.00 0.00 0.00 0.00 44.72 43.77 1fl7 s GLY 85 CO 0.28 -0.71 1.36 1.25 0.00 0.00 0.00 173.10 175.28 1fl7 s LYS 86 N -2.93 3.00 -0.38 2.90 2.20 -1.26 -1.17 119.74 122.10 1fl7 s LYS 86 Ca 0.24 2.22 -0.29 0.00 -0.36 0.00 0.00 55.97 57.79 1fl7 s LYS 86 Cb -0.02 -2.17 0.02 0.00 -1.51 0.00 0.00 37.83 34.15 1fl7 s LYS 86 CO 0.16 -1.30 1.13 0.00 -0.36 0.00 0.00 175.35 174.98 1fl7 s ASP 88 N 2.14 4.61 0.33 0.00 2.15 -1.26 -4.84 116.67 119.80 1fl7 s ASP 88 Ca 0.48 0.19 0.08 0.00 0.43 0.00 0.00 52.55 53.73 1fl7 s ASP 88 Cb -0.11 -2.54 0.81 0.00 -0.30 0.00 0.00 42.92 40.79 1fl7 s ASP 88 CO 0.23 -3.05 1.79 -1.28 -0.17 0.00 0.00 175.17 172.69 1fl7 h SER 89 N 14.55 0.71 -0.84 -0.34 0.87 -1.92 0.38 113.55 126.95 1fl7 h SER 89 Ca -0.09 0.09 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 1fl7 h SER 89 Cb 1.10 -0.04 -0.04 0.00 -0.44 0.00 0.00 62.40 62.98 1fl7 h SER 89 CO 1.14 0.25 0.45 0.44 -0.53 0.00 0.00 176.83 178.59 1fl7 h ASP 90 N 0.69 1.06 0.00 6.23 3.32 -2.03 -3.26 116.42 122.43 1fl7 h ASP 90 Ca 0.56 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.51 1fl7 h ASP 90 Cb 0.97 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.25 1fl7 h ASP 90 CO -0.34 0.86 -0.65 -1.54 -1.72 0.00 0.00 179.24 175.85 1fl7 n SER 91 N -4.33 0.88 -4.41 6.45 3.41 -1.00 -5.02 113.62 109.60 1fl7 n SER 91 Ca 0.09 -0.59 -0.30 0.00 -0.26 0.00 0.00 58.87 57.80 1fl7 n SER 91 Cb 0.10 1.09 -0.14 0.00 -0.26 0.00 0.00 64.21 65.01 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 -2.08 2.49 -0.66 6.66 2.01 0.13 -5.06 115.64 119.13 1fl7 s THR 92 Ca 0.02 -1.28 -0.19 0.00 0.31 0.00 0.00 61.69 60.55 1fl7 s THR 92 Cb 0.07 -2.02 0.11 0.00 0.01 0.00 0.00 72.50 70.68 1fl7 s THR 92 CO 0.41 0.35 0.81 -0.62 -0.69 0.00 0.00 174.62 174.88 1fl7 s ASP 93 N -1.34 6.28 -0.44 3.53 2.15 -1.26 -4.44 116.67 121.15 1fl7 s ASP 93 Ca 0.13 -1.53 -0.29 0.00 0.43 0.00 0.00 52.55 51.29 1fl7 s ASP 93 Cb -0.10 -2.33 0.02 0.00 -0.30 0.00 0.00 42.92 40.21 1fl7 s ASP 93 CO 0.04 -1.13 1.22 0.00 -0.17 0.00 0.00 175.17 175.13 1fl7 s THR 95 N 4.68 0.01 -0.08 0.00 -4.23 -1.26 -5.04 115.64 109.71 1fl7 s THR 95 Ca 0.52 -1.89 -0.17 0.00 -1.18 0.00 0.00 61.69 58.97 1fl7 s THR 95 Cb -0.10 -2.40 -0.29 0.00 1.34 0.00 0.00 72.50 71.06 1fl7 s THR 95 CO 0.30 -0.05 0.65 0.58 -0.54 0.00 0.00 174.62 175.56 1fl7 h VAL 96 N 2.59 1.14 -3.92 2.29 2.07 -2.08 -3.47 116.25 114.87 1fl7 h VAL 96 Ca -0.34 -2.44 -0.18 0.00 0.82 0.00 0.00 66.70 64.56 1fl7 h VAL 96 Cb 1.24 2.83 -0.22 0.00 -1.52 0.00 0.00 31.29 33.63 1fl7 h VAL 96 CO 0.51 0.72 -0.69 -0.60 0.02 0.00 0.00 177.57 177.52 1fl7 s ARG 97 N -2.47 0.28 0.00 1.57 3.52 -1.26 -5.17 118.95 115.42 1fl7 s ARG 97 Ca -0.18 -0.51 0.00 0.00 -0.13 0.00 0.00 55.73 54.91 1fl7 s ARG 97 Cb 0.04 0.10 0.00 0.00 -1.56 0.00 0.00 34.95 33.53 1fl7 s ARG 97 CO 0.79 -0.05 0.00 0.41 -0.81 0.00 0.00 175.30 175.64 1fl7 n GLY 98 N 1.79 4.22 0.20 8.12 0.00 -1.26 -5.04 105.19 113.22 1fl7 n GLY 98 Ca -0.22 -1.88 0.13 0.00 0.00 0.00 0.00 46.02 44.05 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 -2.03 -3.49 115.31 114.16 1fl7 h LEU 99 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1fl7 h LEU 99 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1fl7 h LEU 99 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 1fl7 n GLY 100 N 0.97 2.69 0.33 0.83 0.00 -1.26 -4.52 105.19 104.23 1fl7 n GLY 100 Ca 0.04 -1.64 -0.03 0.00 0.00 0.00 0.00 46.02 44.39 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 1.09 -0.57 1.61 0.13 -1.95 -2.73 132.00 129.58 1fl7 h PRO 101 Ca 0.00 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 1fl7 h PRO 101 Cb 0.00 -0.25 0.00 0.00 0.13 0.00 0.00 31.00 30.88 1fl7 h PRO 101 CO 0.00 0.72 0.00 -1.13 -0.23 0.00 0.00 178.00 177.36 1fl7 n SER 102 N -4.52 3.18 -4.71 1.44 3.41 -1.26 -2.22 113.62 108.94 1fl7 n SER 102 Ca 0.10 -2.21 -0.41 0.00 -0.26 0.00 0.00 58.87 56.09 1fl7 n SER 102 Cb 0.05 -0.43 0.01 0.00 -0.26 0.00 0.00 64.21 63.58 1fl7 n SER 102 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1fl7 n TYR 103 N 0.79 2.24 -3.77 7.33 9.36 -1.03 -4.66 117.16 127.42 1fl7 n TYR 103 Ca 0.17 0.50 -0.25 0.00 3.32 0.00 0.00 57.90 61.64 1fl7 n TYR 103 Cb 0.58 -2.39 -0.17 0.00 -0.63 0.00 0.00 39.34 36.72 1fl7 n TYR 103 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1fl7 h SER 105 N 8.30 0.00 -2.52 0.00 0.87 -1.97 -3.42 113.55 114.80 1fl7 h SER 105 Ca -0.19 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.37 1fl7 h SER 105 Cb 1.12 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.08 1fl7 h SER 105 CO 0.29 0.00 0.00 0.49 -0.53 0.00 0.00 176.83 177.08 1fl7 n PHE 106 N -2.93 -0.06 -4.13 2.24 3.01 -1.26 -5.10 117.46 109.22 1fl7 n PHE 106 Ca -0.01 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.33 1fl7 n PHE 106 Cb 0.41 0.00 -0.11 0.00 -0.01 0.00 0.00 39.48 39.78 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 -0.78 0.69 0.00 1.37 0.00 -1.26 -4.98 107.32 102.37 1fl7 s GLY 107 Ca 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 44.72 43.60 1fl7 s GLY 107 CO 0.00 -1.20 0.00 -2.21 0.00 0.00 0.00 173.10 169.69