#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f04 s VAL 4 N 0.00 5.34 0.21 0.00 0.11 -1.26 -5.12 120.40 119.67 1f04 s VAL 4 Ca 0.00 -0.28 0.04 0.00 -2.93 0.00 0.00 61.98 58.80 1f04 s VAL 4 Cb 0.00 -3.63 -0.05 0.00 -1.53 0.00 0.00 36.38 31.17 1f04 s VAL 4 CO 0.00 0.12 -0.03 -1.59 -3.33 0.00 0.00 175.10 170.27 1f04 s LYS 5 N -2.53 1.25 0.19 1.54 0.00 -1.26 -5.09 119.74 113.84 1f04 s LYS 5 Ca 0.36 -1.61 0.09 0.00 0.00 0.00 0.00 55.97 54.81 1f04 s LYS 5 Cb -0.13 -0.59 -0.04 0.00 0.00 0.00 0.00 37.83 37.07 1f04 s LYS 5 CO 0.27 -0.06 -0.18 0.71 0.00 0.00 0.00 175.35 176.09 1f04 s TYR 6 N -3.42 1.91 -0.06 1.78 1.51 -1.26 -2.53 117.35 115.29 1f04 s TYR 6 Ca 0.25 -0.46 0.05 0.00 -1.01 0.00 0.00 57.07 55.90 1f04 s TYR 6 Cb 0.05 -0.93 -0.00 0.00 -0.11 0.00 0.00 41.96 40.97 1f04 s TYR 6 CO 0.06 0.40 -0.20 0.71 -1.11 0.00 0.00 175.55 175.41 1f04 s TYR 7 N -2.22 2.05 0.58 2.71 2.02 0.32 -4.73 117.35 118.09 1f04 s TYR 7 Ca 0.19 -0.66 -0.17 0.00 -0.37 0.00 0.00 57.07 56.07 1f04 s TYR 7 Cb -0.05 -1.38 -0.04 0.00 -0.40 0.00 0.00 41.96 40.09 1f04 s TYR 7 CO 0.08 -0.23 1.06 0.95 -1.57 0.00 0.00 175.55 175.84 1f04 s THR 8 N 0.08 3.75 0.28 -0.71 -4.23 -1.26 -0.89 115.64 112.66 1f04 s THR 8 Ca -0.07 0.88 0.01 0.00 -1.18 0.00 0.00 61.69 61.33 1f04 s THR 8 Cb -0.14 -3.38 0.29 0.00 1.34 0.00 0.00 72.50 70.61 1f04 s THR 8 CO 0.04 -0.44 1.67 0.25 -0.54 0.00 0.00 174.62 175.60 1f04 h LEU 9 N 0.64 0.11 0.16 4.79 6.46 -1.94 -1.14 115.31 124.39 1f04 h LEU 9 Ca -0.47 0.17 0.00 0.00 -0.12 0.00 0.00 57.88 57.46 1f04 h LEU 9 Cb 1.22 0.21 -0.03 0.00 -0.73 0.00 0.00 40.66 41.33 1f04 h LEU 9 CO 0.58 -0.08 -0.39 -0.08 -0.62 0.00 0.00 178.44 177.85 1f04 h GLU 10 N 0.28 -0.58 -0.66 1.25 4.57 -1.92 0.50 114.58 118.02 1f04 h GLU 10 Ca 0.52 0.04 0.10 0.00 -1.18 0.00 0.00 59.36 58.84 1f04 h GLU 10 Cb 1.00 0.13 -0.07 0.00 -0.16 0.00 0.00 28.75 29.65 1f04 h GLU 10 CO -0.58 -0.39 0.28 0.93 -1.18 0.00 0.00 179.01 178.07 1f04 h GLU 11 N -0.60 0.47 -0.95 1.92 3.07 -1.74 0.10 114.58 116.84 1f04 h GLU 11 Ca -0.02 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 58.81 1f04 h GLU 11 Cb 0.58 -0.11 -0.05 0.00 -0.84 0.00 0.00 28.75 28.34 1f04 h GLU 11 CO -0.17 0.31 0.58 0.82 -1.40 0.00 0.00 179.01 179.15 1f04 h ILE 12 N 0.48 1.26 -0.63 3.13 2.04 -0.88 -2.29 117.51 120.62 1f04 h ILE 12 Ca 0.33 -0.55 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 1f04 h ILE 12 Cb 0.39 -0.09 -0.03 0.00 -0.74 0.00 0.00 36.82 36.35 1f04 h ILE 12 CO -0.30 0.27 0.34 1.56 0.00 0.00 0.00 178.15 180.02 1f04 h GLN 13 N 1.31 0.87 0.00 2.37 1.08 0.21 0.96 115.11 121.90 1f04 h GLN 13 Ca 0.34 -0.09 0.00 0.00 -1.45 0.00 0.00 58.65 57.45 1f04 h GLN 13 Cb -0.07 -0.18 0.00 0.00 -0.05 0.00 0.00 27.48 27.18 1f04 h GLN 13 CO -0.07 0.64 0.02 0.87 -0.95 0.00 0.00 178.83 179.34 1f04 h LYS 14 N 0.88 0.00 -2.76 1.46 1.57 -0.29 -3.21 116.57 114.22 1f04 h LYS 14 Ca 0.22 0.00 -0.77 0.00 -1.87 0.00 0.00 60.65 58.23 1f04 h LYS 14 Cb 0.03 0.00 -0.30 0.00 0.08 0.00 0.00 32.23 32.03 1f04 h LYS 14 CO -0.04 0.00 0.56 0.72 -0.57 0.00 0.00 179.45 180.13 1f04 n HIS 15 N -2.79 2.48 -2.48 -1.35 8.25 0.33 -4.54 115.22 115.13 1f04 n HIS 15 Ca -0.02 -2.83 -0.03 0.00 -0.26 0.00 0.00 57.72 54.58 1f04 n HIS 15 Cb 0.07 -1.13 0.05 0.00 1.12 0.00 0.00 29.99 30.10 1f04 n HIS 15 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1f04 n ASN 16 N 1.16 -0.72 -0.04 0.41 0.23 -0.29 -0.94 115.26 115.07 1f04 n ASN 16 Ca 0.27 -2.11 -0.04 0.00 -0.53 0.00 0.00 54.58 52.18 1f04 n ASN 16 Cb 0.34 0.34 -0.01 0.00 -2.08 0.00 0.00 39.78 38.36 1f04 n ASN 16 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 1f04 n ASN 17 N -0.79 0.97 0.08 0.53 5.15 -1.12 -4.99 115.26 115.08 1f04 n ASN 17 Ca -0.16 0.28 0.00 0.00 -0.60 0.00 0.00 54.58 54.10 1f04 n ASN 17 Cb 0.84 -0.65 0.00 0.00 -0.53 0.00 0.00 39.78 39.44 1f04 n ASN 17 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1f04 n SER 18 N -3.49 -0.18 0.00 1.20 3.41 -1.26 -5.02 113.62 108.29 1f04 n SER 18 Ca -0.06 0.28 0.00 0.00 -0.26 0.00 0.00 58.87 58.83 1f04 n SER 18 Cb 0.21 0.30 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 1f04 n SER 18 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1f04 n LYS 19 N -3.02 0.00 -1.17 4.33 5.02 -1.26 -4.89 118.16 117.17 1f04 n LYS 19 Ca 0.00 0.00 -0.48 0.00 -2.02 0.00 0.00 58.31 55.81 1f04 n LYS 19 Cb 0.00 -0.30 -0.11 0.00 -0.02 0.00 0.00 35.03 34.60 1f04 n LYS 19 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1f04 n SER 20 N -0.93 0.55 -3.58 4.39 7.64 -1.26 -4.66 113.62 115.77 1f04 n SER 20 Ca 0.00 0.47 -0.29 0.00 1.01 0.00 0.00 58.87 60.06 1f04 n SER 20 Cb 0.00 -0.80 -0.13 0.00 -1.01 0.00 0.00 64.21 62.27 1f04 n SER 20 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1f04 s THR 21 N 6.04 0.48 0.42 0.44 2.01 -1.22 -1.14 115.64 122.68 1f04 s THR 21 Ca 1.10 -1.63 0.07 0.00 0.31 0.00 0.00 61.69 61.54 1f04 s THR 21 Cb -1.26 -1.36 -0.04 0.00 0.01 0.00 0.00 72.50 69.85 1f04 s THR 21 CO 0.54 -0.86 0.27 0.26 -0.69 0.00 0.00 174.62 174.14 1f04 s TRP 22 N 1.23 2.61 0.03 4.92 0.52 -0.12 -2.92 118.94 125.21 1f04 s TRP 22 Ca 0.15 -0.56 -0.29 0.00 0.02 0.00 0.00 56.10 55.42 1f04 s TRP 22 Cb -0.21 -2.05 0.10 0.00 -1.15 0.00 0.00 33.47 30.17 1f04 s TRP 22 CO -0.11 0.03 1.16 -0.48 0.02 0.00 0.00 176.95 177.57 1f04 s LEU 23 N -4.01 -0.11 -0.23 2.99 0.05 -1.25 -0.27 118.68 115.85 1f04 s LEU 23 Ca 0.44 -0.21 0.01 0.00 0.05 0.00 0.00 54.13 54.41 1f04 s LEU 23 Cb 0.01 1.66 0.03 0.00 -2.05 0.00 0.00 46.19 45.84 1f04 s LEU 23 CO 0.25 -0.50 -0.12 -0.63 -0.55 0.00 0.00 176.35 174.79 1f04 s ILE 24 N -2.73 2.40 -0.45 1.48 1.01 -1.26 -2.93 121.20 118.72 1f04 s ILE 24 Ca 0.13 -1.16 0.01 0.00 0.00 0.00 0.00 60.65 59.63 1f04 s ILE 24 Cb 0.02 -2.20 0.12 0.00 0.01 0.00 0.00 42.46 40.41 1f04 s ILE 24 CO -0.02 0.25 0.20 -0.76 0.00 0.00 0.00 174.94 174.62 1f04 s LEU 25 N 1.25 4.82 -0.67 2.97 1.02 -0.42 -2.38 118.68 125.28 1f04 s LEU 25 Ca -0.01 -2.48 -0.02 0.00 0.02 0.00 0.00 54.13 51.64 1f04 s LEU 25 Cb -0.16 -1.71 -0.03 0.00 0.02 0.00 0.00 46.19 44.31 1f04 s LEU 25 CO -0.08 -0.37 0.57 1.41 0.02 0.00 0.00 176.35 177.91 1f04 n HIS 26 N 3.89 -1.42 -1.44 0.29 8.25 -1.26 -3.37 115.22 120.15 1f04 n HIS 26 Ca 0.04 0.54 -0.15 0.00 -0.26 0.00 0.00 57.72 57.88 1f04 n HIS 26 Cb 0.38 -3.64 -0.06 0.00 1.12 0.00 0.00 29.99 27.79 1f04 n HIS 26 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1f04 n TYR 27 N -2.68 0.00 -4.63 4.41 4.02 -1.26 -4.96 117.16 112.06 1f04 n TYR 27 Ca -0.10 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.57 1f04 n TYR 27 Cb 0.58 -2.85 -0.15 0.00 -0.02 0.00 0.00 39.34 36.90 1f04 n TYR 27 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 1f04 s LYS 28 N -3.24 1.21 -0.16 -0.72 1.02 -1.22 -0.68 119.74 115.95 1f04 s LYS 28 Ca 0.00 -0.48 -0.07 0.00 0.02 0.00 0.00 55.97 55.44 1f04 s LYS 28 Cb 0.00 -1.13 -0.04 0.00 -0.52 0.00 0.00 37.83 36.14 1f04 s LYS 28 CO 0.00 0.26 0.08 0.08 -0.92 0.00 0.00 175.35 174.84 1f04 s VAL 29 N -0.17 4.97 -0.18 3.17 1.01 -1.17 -1.30 120.40 126.74 1f04 s VAL 29 Ca 0.02 0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.03 1f04 s VAL 29 Cb -0.07 -3.21 0.03 0.00 0.00 0.00 0.00 36.38 33.13 1f04 s VAL 29 CO 0.00 0.51 -0.15 -0.31 0.00 0.00 0.00 175.10 175.15 1f04 s TYR 30 N -0.10 2.50 -0.12 5.22 1.51 -1.15 -1.56 117.35 123.66 1f04 s TYR 30 Ca 0.08 -1.51 -0.29 0.00 -1.01 0.00 0.00 57.07 54.34 1f04 s TYR 30 Cb -0.12 -1.74 -0.01 0.00 -0.11 0.00 0.00 41.96 39.98 1f04 s TYR 30 CO 0.01 -0.75 0.97 0.34 -1.11 0.00 0.00 175.55 175.01 1f04 s ASP 31 N 1.38 7.18 -0.04 2.29 2.15 -1.02 -3.81 116.67 124.80 1f04 s ASP 31 Ca 0.03 1.46 0.08 0.00 0.43 0.00 0.00 52.55 54.55 1f04 s ASP 31 Cb -0.14 -2.53 0.14 0.00 -0.30 0.00 0.00 42.92 40.09 1f04 s ASP 31 CO -0.11 -0.44 1.07 0.18 -0.17 0.00 0.00 175.17 175.70 1f04 n LEU 32 N 5.06 0.79 -0.36 -1.34 4.77 -1.15 -4.86 117.00 119.91 1f04 n LEU 32 Ca 0.08 -1.74 0.05 0.00 -0.03 0.00 0.00 56.01 54.36 1f04 n LEU 32 Cb 0.49 -0.12 0.20 0.00 -2.33 0.00 0.00 43.42 41.65 1f04 n LEU 32 CO 0.51 0.44 1.24 0.00 -1.33 0.00 0.00 177.39 178.26 1f04 h THR 33 N 5.11 1.00 -0.47 -5.08 1.03 -1.82 0.18 112.91 112.85 1f04 h THR 33 Ca -0.03 -0.37 -0.08 0.00 -0.01 0.00 0.00 66.41 65.93 1f04 h THR 33 Cb 1.35 -0.16 -0.05 0.00 -1.07 0.00 0.00 68.15 68.22 1f04 h THR 33 CO 0.01 0.20 0.10 1.17 -0.01 0.00 0.00 175.52 176.99 1f04 n LYS 34 N -4.57 3.39 -0.20 0.00 4.81 -1.26 -3.87 118.16 116.46 1f04 n LYS 34 Ca 0.17 -2.23 0.01 0.00 -0.87 0.00 0.00 58.31 55.40 1f04 n LYS 34 Cb 0.26 -2.01 0.02 0.00 0.02 0.00 0.00 35.03 33.33 1f04 n LYS 34 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1f04 n PHE 35 N 0.21 0.00 0.35 5.64 7.35 0.60 -4.83 117.46 126.78 1f04 n PHE 35 Ca 0.25 -0.22 -0.14 0.00 -0.76 0.00 0.00 57.45 56.58 1f04 n PHE 35 Cb 1.02 -0.05 -0.07 0.00 0.35 0.00 0.00 39.48 40.73 1f04 n PHE 35 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1f04 h LEU 36 N 0.00 -0.78 -0.99 -2.13 3.38 -1.60 0.19 115.31 113.38 1f04 h LEU 36 Ca 0.00 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 1f04 h LEU 36 Cb 1.08 0.20 -0.02 0.00 0.09 0.00 0.00 40.66 42.01 1f04 h LEU 36 CO 0.00 -0.40 -0.07 -0.08 0.09 0.00 0.00 178.44 177.98 1f04 h GLU 37 N -1.23 0.66 -0.21 1.13 4.81 -1.91 -3.20 114.58 114.63 1f04 h GLU 37 Ca -0.09 -0.19 -0.03 0.00 -0.13 0.00 0.00 59.36 58.92 1f04 h GLU 37 Cb 0.71 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.01 1f04 h GLU 37 CO 0.15 0.72 0.03 0.93 -0.73 0.00 0.00 179.01 180.12 1f04 h GLU 38 N 0.61 0.35 -5.91 1.92 5.08 -1.86 -3.42 114.58 111.35 1f04 h GLU 38 Ca 0.12 -0.09 -0.61 0.00 -1.00 0.00 0.00 59.36 57.77 1f04 h GLU 38 Cb 0.48 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1f04 h GLU 38 CO 0.03 0.50 1.49 1.58 -1.00 0.00 0.00 179.01 181.60 1f04 n HIS 39 N -4.73 1.70 -2.16 4.33 -0.00 0.65 -4.82 115.22 110.19 1f04 n HIS 39 Ca -0.04 0.09 -0.39 0.00 0.46 0.00 0.00 57.72 57.84 1f04 n HIS 39 Cb 0.19 -2.62 -0.02 0.00 -0.12 0.00 0.00 29.99 27.42 1f04 n HIS 39 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 1f04 n PRO 40 N 8.55 2.58 0.00 1.57 -0.04 -1.26 -3.18 135.00 143.21 1f04 n PRO 40 Ca 0.37 -2.82 0.00 0.00 -0.04 0.00 0.00 63.50 61.01 1f04 n PRO 40 Cb 0.35 -3.46 0.00 0.00 -0.04 0.00 0.00 33.50 30.35 1f04 n PRO 40 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1f04 n GLY 41 N 5.17 0.14 0.00 0.55 0.00 -1.26 -5.14 105.19 104.66 1f04 n GLY 41 Ca 0.49 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.38 1f04 n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f04 n GLY 42 N -1.39 3.26 0.25 -0.02 0.00 -1.19 -4.92 105.19 101.18 1f04 n GLY 42 Ca 0.00 -0.19 -0.08 0.00 0.00 0.00 0.00 46.02 45.75 1f04 n GLY 42 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1f04 h GLU 43 N 0.00 0.83 0.43 1.61 9.09 -1.81 -1.05 114.58 123.68 1f04 h GLU 43 Ca 0.00 -0.14 -0.01 0.00 0.05 0.00 0.00 59.36 59.26 1f04 h GLU 43 Cb 0.00 -0.14 -0.01 0.00 -1.65 0.00 0.00 28.75 26.95 1f04 h GLU 43 CO 0.00 0.70 -0.32 0.00 0.05 0.00 0.00 179.01 179.44 1f04 h ALA 44 N 1.08 -0.75 -0.54 1.06 0.00 -1.95 0.11 119.26 118.28 1f04 h ALA 44 Ca 0.19 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.01 1f04 h ALA 44 Cb 0.17 0.42 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 1f04 h ALA 44 CO -0.02 -0.94 0.29 -0.24 0.00 0.00 0.00 179.25 178.34 1f04 h VAL 45 N -0.74 0.98 -0.68 0.00 3.04 -1.90 0.20 116.25 117.16 1f04 h VAL 45 Ca -0.04 -0.19 0.12 0.00 -1.01 0.00 0.00 66.70 65.57 1f04 h VAL 45 Cb 0.63 0.37 -0.04 0.00 -2.01 0.00 0.00 31.29 30.23 1f04 h VAL 45 CO 0.01 0.10 0.45 -0.07 -1.01 0.00 0.00 177.57 177.06 1f04 h LEU 46 N 0.57 0.40 -0.02 3.16 3.38 -0.79 -0.52 115.31 121.50 1f04 h LEU 46 Ca 0.23 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.19 1f04 h LEU 46 Cb 0.11 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1f04 h LEU 46 CO -0.15 0.23 -0.11 -0.09 0.09 0.00 0.00 178.44 178.42 1f04 h ARG 47 N 0.44 0.11 -0.60 1.13 9.65 0.12 -1.74 114.38 123.49 1f04 h ARG 47 Ca 0.32 -0.09 -0.05 0.00 -1.10 0.00 0.00 59.98 59.06 1f04 h ARG 47 Cb 0.65 0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 29.22 1f04 h ARG 47 CO -0.10 0.76 0.17 0.00 2.80 0.00 0.00 179.97 183.60 1f04 h ALA 48 N 0.35 1.17 0.00 2.80 0.00 -0.28 0.66 119.26 123.95 1f04 h ALA 48 Ca -0.01 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1f04 h ALA 48 Cb 0.78 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1f04 h ALA 48 CO 0.02 0.57 0.00 1.04 0.00 0.00 0.00 179.25 180.88 1f04 n GLN 49 N -4.27 0.09 -1.98 0.00 1.13 -0.24 -4.85 117.38 107.26 1f04 n GLN 49 Ca 0.05 0.03 -0.37 0.00 -1.94 0.00 0.00 57.00 54.77 1f04 n GLN 49 Cb 0.22 -1.50 0.03 0.00 0.11 0.00 0.00 30.24 29.10 1f04 n GLN 49 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1f04 s ALA 50 N -2.90 2.66 0.00 -1.58 0.00 0.22 -4.29 121.76 115.87 1f04 s ALA 50 Ca 0.16 1.09 0.00 0.00 0.00 0.00 0.00 51.96 53.21 1f04 s ALA 50 Cb 0.18 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.83 1f04 s ALA 50 CO 0.48 -1.16 0.00 0.41 0.00 0.00 0.00 175.76 175.49 1f04 n GLY 51 N 0.58 4.34 0.00 0.00 0.00 0.63 -4.85 105.19 105.89 1f04 n GLY 51 Ca 0.12 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.33 1f04 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f04 n GLY 52 N 0.00 0.26 2.72 -0.02 0.00 -1.26 -1.40 105.19 105.49 1f04 n GLY 52 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 1f04 n GLY 52 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1f04 n ASP 53 N 0.00 -2.48 -0.48 1.61 -0.08 -1.26 -4.39 116.55 109.47 1f04 n ASP 53 Ca 0.00 -2.00 0.00 0.00 -1.51 0.00 0.00 54.79 51.28 1f04 n ASP 53 Cb 0.00 1.26 0.00 0.00 2.34 0.00 0.00 41.12 44.72 1f04 n ASP 53 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1f04 n ALA 54 N 2.71 1.96 0.32 -1.67 0.00 -1.00 -4.92 120.51 117.91 1f04 n ALA 54 Ca 0.14 -0.92 -0.16 0.00 0.00 0.00 0.00 53.44 52.50 1f04 n ALA 54 Cb 0.61 -0.45 -0.08 0.00 0.00 0.00 0.00 19.45 19.52 1f04 n ALA 54 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1f04 h THR 55 N 6.72 0.36 -0.65 0.00 2.02 -1.88 0.15 112.91 119.63 1f04 h THR 55 Ca 0.00 -0.18 0.06 0.00 0.77 0.00 0.00 66.41 67.05 1f04 h THR 55 Cb 1.36 0.43 -0.05 0.00 -1.74 0.00 0.00 68.15 68.14 1f04 h THR 55 CO 0.00 0.03 0.36 0.00 0.37 0.00 0.00 175.52 176.27 1f04 h ALA 56 N -0.60 0.87 -0.24 6.16 0.00 -1.91 -1.45 119.26 122.08 1f04 h ALA 56 Ca -0.08 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1f04 h ALA 56 Cb 0.66 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1f04 h ALA 56 CO 0.13 0.03 0.03 -0.97 0.00 0.00 0.00 179.25 178.48 1f04 h ASN 57 N 0.67 0.39 -0.06 0.00 -1.24 -1.87 0.25 115.58 113.72 1f04 h ASN 57 Ca 0.29 -0.27 0.04 0.00 0.71 0.00 0.00 56.30 57.07 1f04 h ASN 57 Cb 0.18 -0.10 -0.05 0.00 0.73 0.00 0.00 38.32 39.07 1f04 h ASN 57 CO -0.18 0.56 -0.24 0.15 -1.29 0.00 0.00 177.43 176.43 1f04 h PHE 58 N 0.21 -0.64 -0.57 0.67 3.57 -0.49 -0.81 116.94 118.88 1f04 h PHE 58 Ca 0.07 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.55 1f04 h PHE 58 Cb 0.34 0.29 -0.02 0.00 2.79 0.00 0.00 35.95 39.35 1f04 h PHE 58 CO 0.02 -0.33 0.18 0.93 -2.23 0.00 0.00 178.31 176.89 1f04 h GLU 59 N -0.34 0.88 -0.51 1.11 4.39 -1.15 -2.30 114.58 116.66 1f04 h GLU 59 Ca 0.08 -0.19 0.05 0.00 0.34 0.00 0.00 59.36 59.64 1f04 h GLU 59 Cb 0.46 -0.13 -0.05 0.00 -0.10 0.00 0.00 28.75 28.93 1f04 h GLU 59 CO -0.26 0.79 0.25 0.00 -1.16 0.00 0.00 179.01 178.63 1f04 h ALA 60 N 1.05 0.64 -0.05 3.43 0.00 -0.14 -1.35 119.26 122.83 1f04 h ALA 60 Ca 0.18 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.14 1f04 h ALA 60 Cb 0.28 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1f04 h ALA 60 CO -0.01 -0.10 -0.08 0.28 0.00 0.00 0.00 179.25 179.34 1f04 h VAL 61 N 0.48 0.79 0.00 0.00 2.07 -1.05 -3.49 116.25 115.05 1f04 h VAL 61 Ca 0.23 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.75 1f04 h VAL 61 Cb 0.15 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1f04 h VAL 61 CO -0.17 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.03 1f04 n GLY 62 N -1.20 2.23 3.08 2.17 0.00 -0.51 -5.12 105.19 105.83 1f04 n GLY 62 Ca -0.05 -1.46 -0.10 0.00 0.00 0.00 0.00 46.02 44.41 1f04 n GLY 62 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1f04 s HIS 63 N -0.45 -0.70 1.06 1.61 3.76 -1.26 -4.98 115.29 114.33 1f04 s HIS 63 Ca 0.00 1.13 -0.13 0.00 -0.15 0.00 0.00 55.06 55.91 1f04 s HIS 63 Cb 0.00 0.11 0.23 0.00 1.11 0.00 0.00 32.58 34.02 1f04 s HIS 63 CO 0.00 -0.53 1.07 -1.12 -0.85 0.00 0.00 174.74 173.31 1f04 s SER 64 N 2.54 1.99 0.18 1.40 0.01 -1.26 -4.51 113.70 114.05 1f04 s SER 64 Ca 0.04 1.27 -0.24 0.00 1.31 0.00 0.00 55.95 58.34 1f04 s SER 64 Cb -0.13 -1.98 0.08 0.00 0.21 0.00 0.00 66.02 64.20 1f04 s SER 64 CO -0.13 -3.54 1.57 0.71 0.41 0.00 0.00 173.24 172.26 1f04 h THR 65 N -2.17 0.08 -0.60 1.44 1.35 -2.02 0.26 112.91 111.25 1f04 h THR 65 Ca -0.57 0.00 0.12 0.00 -0.55 0.00 0.00 66.41 65.40 1f04 h THR 65 Cb 1.33 0.08 -0.12 0.00 -1.73 0.00 0.00 68.15 67.71 1f04 h THR 65 CO 0.55 0.00 -0.22 -0.78 -0.25 0.00 0.00 175.52 174.82 1f04 h ASP 66 N -0.16 -0.79 -0.48 5.36 1.82 -1.99 0.23 116.42 120.42 1f04 h ASP 66 Ca 0.22 0.20 -0.09 0.00 -0.39 0.00 0.00 57.03 56.97 1f04 h ASP 66 Cb 0.56 0.45 -0.02 0.00 0.68 0.00 0.00 39.33 41.00 1f04 h ASP 66 CO -0.76 -0.25 -0.03 0.00 -1.61 0.00 0.00 179.24 176.58 1f04 h ALA 67 N 1.39 0.65 -0.88 -0.78 0.00 -1.37 0.19 119.26 118.45 1f04 h ALA 67 Ca 0.28 -0.30 0.05 0.00 0.00 0.00 0.00 54.91 54.94 1f04 h ALA 67 Cb 0.50 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 1f04 h ALA 67 CO -0.65 0.49 0.58 0.00 0.00 0.00 0.00 179.25 179.66 1f04 h ARG 68 N 0.73 1.01 -0.05 0.00 3.08 0.63 -0.25 114.38 119.53 1f04 h ARG 68 Ca 0.13 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 60.06 1f04 h ARG 68 Cb 0.56 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.39 1f04 h ARG 68 CO 0.03 0.67 -0.21 0.93 -1.07 0.00 0.00 179.97 180.32 1f04 h GLU 69 N 1.04 0.23 -0.62 0.04 4.39 -0.18 -3.25 114.58 116.22 1f04 h GLU 69 Ca 0.37 -0.18 0.13 0.00 0.34 0.00 0.00 59.36 60.02 1f04 h GLU 69 Cb 0.13 0.04 -0.11 0.00 -0.10 0.00 0.00 28.75 28.71 1f04 h GLU 69 CO -0.13 0.82 -0.04 1.25 -1.16 0.00 0.00 179.01 179.75 1f04 h LEU 70 N -0.32 -0.36 -0.88 1.33 5.85 -0.16 0.36 115.31 121.13 1f04 h LEU 70 Ca -0.01 0.16 0.18 0.00 0.84 0.00 0.00 57.88 59.05 1f04 h LEU 70 Cb 0.86 0.30 -0.17 0.00 0.37 0.00 0.00 40.66 42.03 1f04 h LEU 70 CO 0.04 -0.14 -0.22 0.77 -0.34 0.00 0.00 178.44 178.55 1f04 h SER 71 N 0.08 -0.83 -0.94 1.25 4.64 -1.09 0.40 113.55 117.05 1f04 h SER 71 Ca 0.32 0.26 0.11 0.00 -0.47 0.00 0.00 61.79 62.01 1f04 h SER 71 Cb 0.51 0.55 -0.07 0.00 -0.31 0.00 0.00 62.40 63.07 1f04 h SER 71 CO -0.56 -0.29 0.60 0.11 -0.87 0.00 0.00 176.83 175.82 1f04 h LYS 72 N -0.00 0.88 0.00 4.77 1.79 -0.35 0.31 116.57 123.96 1f04 h LYS 72 Ca 0.42 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.84 1f04 h LYS 72 Cb 0.64 -0.20 0.00 0.00 -1.58 0.00 0.00 32.23 31.09 1f04 h LYS 72 CO -0.91 0.58 0.00 1.15 -1.08 0.00 0.00 179.45 179.20 1f04 h THR 73 N 0.91 0.00 -0.02 -0.16 2.02 0.07 -1.47 112.91 114.25 1f04 h THR 73 Ca 0.45 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.45 1f04 h THR 73 Cb 0.49 1.17 0.00 0.00 -1.74 0.00 0.00 68.15 68.07 1f04 h THR 73 CO -0.22 0.00 -0.08 0.49 0.37 0.00 0.00 175.52 176.09 1f04 n PHE 74 N -3.06 0.00 -2.00 3.16 3.72 0.95 -4.99 117.46 115.24 1f04 n PHE 74 Ca -0.02 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.97 1f04 n PHE 74 Cb 0.16 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.67 1f04 n PHE 74 CO 0.00 0.00 0.00 -1.50 -0.05 0.00 0.00 176.76 175.21 1f04 s ILE 75 N -1.87 2.73 -0.10 4.37 -1.16 -0.44 -2.44 121.20 122.29 1f04 s ILE 75 Ca 0.23 0.56 0.10 0.00 -0.51 0.00 0.00 60.65 61.03 1f04 s ILE 75 Cb 0.17 -3.36 -0.14 0.00 0.61 0.00 0.00 42.46 39.75 1f04 s ILE 75 CO 0.31 0.06 0.05 2.30 -2.81 0.00 0.00 174.94 174.86 1f04 n ILE 76 N 3.22 0.70 -1.37 2.00 -5.35 -0.60 -4.91 119.36 113.05 1f04 n ILE 76 Ca 0.10 -0.45 0.00 0.00 -0.27 0.00 0.00 62.75 62.13 1f04 n ILE 76 Cb 0.40 -0.66 0.00 0.00 -1.74 0.00 0.00 39.64 37.64 1f04 n ILE 76 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1f04 n GLY 77 N 2.30 1.18 3.32 3.28 0.00 -1.25 -4.83 105.19 109.19 1f04 n GLY 77 Ca -0.17 -0.17 -0.14 0.00 0.00 0.00 0.00 46.02 45.54 1f04 n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1f04 s GLU 78 N 2.85 1.50 0.14 1.61 2.02 -1.05 -3.07 118.70 122.71 1f04 s GLU 78 Ca 0.00 -1.71 -0.30 0.00 0.02 0.00 0.00 54.97 52.98 1f04 s GLU 78 Cb 0.00 0.34 -0.08 0.00 0.10 0.00 0.00 34.13 34.49 1f04 s GLU 78 CO 0.00 -0.55 1.28 -1.17 0.02 0.00 0.00 175.26 174.84 1f04 s LEU 79 N -3.21 4.40 0.38 1.80 2.96 0.14 -0.52 118.68 124.64 1f04 s LEU 79 Ca 0.36 2.26 -0.26 0.00 -0.22 0.00 0.00 54.13 56.27 1f04 s LEU 79 Cb 0.04 -3.60 -0.11 0.00 0.50 0.00 0.00 46.19 43.02 1f04 s LEU 79 CO 0.17 -0.51 1.13 1.57 -1.32 0.00 0.00 176.35 177.39 1f04 n HIS 80 N 3.25 1.66 0.67 5.38 -0.00 -0.07 -4.72 115.22 121.39 1f04 n HIS 80 Ca 0.08 0.57 0.07 0.00 -0.00 0.00 0.00 57.72 58.44 1f04 n HIS 80 Cb 0.44 -2.31 0.36 0.00 -0.00 0.00 0.00 29.99 28.48 1f04 n HIS 80 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 1f04 n PRO 81 N 0.29 0.17 0.08 1.57 -0.04 -1.26 -1.98 135.00 133.84 1f04 n PRO 81 Ca 0.08 0.16 -0.07 0.00 -0.04 0.00 0.00 63.50 63.63 1f04 n PRO 81 Cb 0.37 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.29 1f04 n PRO 81 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1f04 h ASP 82 N 0.00 0.11 0.01 3.54 3.58 -1.98 -3.35 116.42 118.33 1f04 h ASP 82 Ca 0.00 -0.10 -0.00 0.00 0.42 0.00 0.00 57.03 57.35 1f04 h ASP 82 Cb 0.16 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.18 1f04 h ASP 82 CO 0.00 0.98 -0.00 -0.78 -2.88 0.00 0.00 179.24 176.55 1f04 h ASP 83 N 0.03 -0.01 0.00 2.28 1.82 -1.76 -3.52 116.42 115.26 1f04 h ASP 83 Ca -0.03 -0.66 0.00 0.00 -0.39 0.00 0.00 57.03 55.95 1f04 h ASP 83 Cb 1.62 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.63 1f04 h ASP 83 CO 0.13 0.66 0.00 -2.11 -1.61 0.00 0.00 179.24 176.31