#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 5.38 -0.36 0.00 0.11 -1.26 -5.08 120.40 119.19 1f04 s VAL 4 Ca 0.00 -0.33 0.01 0.00 -2.93 0.00 0.00 61.98 58.73 1f04 s VAL 4 Cb 0.00 -3.62 0.15 0.00 -1.53 0.00 0.00 36.38 31.38 1f04 s VAL 4 CO 0.00 0.16 0.26 -0.75 -3.33 0.00 0.00 175.10 171.44 1f04 s LYS 5 N -2.44 0.60 0.79 1.54 2.20 -1.26 -5.13 119.74 116.04 1f04 s LYS 5 Ca 0.34 -1.31 -0.15 0.00 -0.36 0.00 0.00 55.97 54.50 1f04 s LYS 5 Cb -0.13 -1.18 0.03 0.00 -1.51 0.00 0.00 37.83 35.04 1f04 s LYS 5 CO 0.27 -1.23 0.85 0.66 -0.36 0.00 0.00 175.35 175.54 1f04 n TYR 6 N 3.95 0.17 -5.21 4.03 4.01 -1.26 -4.73 117.16 118.13 1f04 n TYR 6 Ca 0.14 0.36 -0.32 0.00 -0.16 0.00 0.00 57.90 57.92 1f04 n TYR 6 Cb 0.40 -2.00 -0.16 0.00 -0.31 0.00 0.00 39.34 37.26 1f04 n TYR 6 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1f04 s TYR 7 N -2.03 2.52 0.62 -0.72 2.02 -0.51 -4.69 117.35 114.55 1f04 s TYR 7 Ca 0.69 -0.85 -0.14 0.00 -0.37 0.00 0.00 57.07 56.40 1f04 s TYR 7 Cb -0.31 -1.66 -0.02 0.00 -0.40 0.00 0.00 41.96 39.57 1f04 s TYR 7 CO 0.55 -0.29 1.05 0.95 -1.57 0.00 0.00 175.55 176.24 1f04 s THR 8 N 0.07 3.93 0.28 -0.71 -4.23 -1.26 -0.77 115.64 112.96 1f04 s THR 8 Ca -0.10 0.82 0.03 0.00 -1.18 0.00 0.00 61.69 61.25 1f04 s THR 8 Cb -0.16 -3.41 0.28 0.00 1.34 0.00 0.00 72.50 70.55 1f04 s THR 8 CO 0.06 -0.64 1.70 0.25 -0.54 0.00 0.00 174.62 175.46 1f04 h LEU 9 N 0.09 0.32 0.23 4.79 6.46 -1.93 -0.88 115.31 124.39 1f04 h LEU 9 Ca -0.46 0.15 -0.00 0.00 -0.12 0.00 0.00 57.88 57.45 1f04 h LEU 9 Cb 1.21 0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 41.25 1f04 h LEU 9 CO 0.57 0.02 -0.35 -0.08 -0.62 0.00 0.00 178.44 177.98 1f04 h GLU 10 N 0.41 -0.59 -0.51 1.25 4.57 -1.92 0.38 114.58 118.17 1f04 h GLU 10 Ca 0.54 0.04 0.10 0.00 -1.18 0.00 0.00 59.36 58.86 1f04 h GLU 10 Cb 1.00 0.13 -0.10 0.00 -0.16 0.00 0.00 28.75 29.62 1f04 h GLU 10 CO -0.51 -0.39 -0.12 0.93 -1.18 0.00 0.00 179.01 177.74 1f04 h GLU 11 N -0.61 0.01 -0.79 1.92 3.07 -1.71 0.63 114.58 117.10 1f04 h GLU 11 Ca -0.03 -0.00 0.06 0.00 -0.50 0.00 0.00 59.36 58.89 1f04 h GLU 11 Cb 0.56 -0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.41 1f04 h GLU 11 CO -0.11 0.00 0.48 0.82 -1.40 0.00 0.00 179.01 178.80 1f04 h ILE 12 N 0.01 1.02 0.00 3.13 2.04 -0.94 -0.19 117.51 122.58 1f04 h ILE 12 Ca 0.25 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.81 1f04 h ILE 12 Cb 0.38 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.52 1f04 h ILE 12 CO -0.52 0.16 0.00 0.00 0.00 0.00 0.00 178.15 177.79 1f04 n GLN 13 N -4.67 0.13 0.19 2.37 1.13 0.13 -0.55 117.38 116.10 1f04 n GLN 13 Ca 0.11 0.60 0.08 0.00 -1.94 0.00 0.00 57.00 55.85 1f04 n GLN 13 Cb 0.17 -1.90 0.18 0.00 0.11 0.00 0.00 30.24 28.80 1f04 n GLN 13 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 1f04 h LYS 14 N 0.00 0.00 -2.40 -1.09 1.79 0.04 -3.39 116.57 111.51 1f04 h LYS 14 Ca 0.00 0.00 -0.78 0.00 -2.18 0.00 0.00 60.65 57.69 1f04 h LYS 14 Cb 0.04 0.00 -0.29 0.00 -1.58 0.00 0.00 32.23 30.39 1f04 h LYS 14 CO 0.00 0.26 0.75 0.72 -1.08 0.00 0.00 179.45 180.10 1f04 n HIS 15 N -3.20 2.81 -2.66 -1.35 8.25 0.29 -4.61 115.22 114.74 1f04 n HIS 15 Ca 0.02 -2.77 -0.03 0.00 -0.26 0.00 0.00 57.72 54.68 1f04 n HIS 15 Cb 0.60 -1.12 0.10 0.00 1.12 0.00 0.00 29.99 30.70 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 0.27 -1.23 -2.76 0.41 6.94 -1.11 -0.32 115.26 117.46 1f04 n ASN 16 Ca 0.40 -1.82 -0.01 0.00 -0.02 0.00 0.00 54.58 53.13 1f04 n ASN 16 Cb 0.30 1.02 0.02 0.00 -2.36 0.00 0.00 39.78 38.76 1f04 n ASN 16 CO 0.00 0.00 0.00 0.20 -1.03 0.00 0.00 177.26 176.43 1f04 s ASN 17 N -0.21 -0.51 -1.59 0.53 0.01 -1.24 -4.89 114.94 107.05 1f04 s ASN 17 Ca 0.22 -0.44 -0.11 0.00 -0.71 0.00 0.00 52.86 51.81 1f04 s ASN 17 Cb 0.27 0.67 0.10 0.00 0.41 0.00 0.00 41.25 42.69 1f04 s ASN 17 CO -0.17 -0.04 0.65 -0.24 -1.51 0.00 0.00 177.10 175.80 1f04 n SER 18 N 3.20 -2.26 0.00 -1.22 2.88 -1.26 -4.63 113.62 110.33 1f04 n SER 18 Ca 0.10 -1.00 0.00 0.00 -1.33 0.00 0.00 58.87 56.64 1f04 n SER 18 Cb 0.63 -2.90 0.00 0.00 -0.75 0.00 0.00 64.21 61.19 1f04 n SER 18 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1f04 n LYS 19 N -4.42 0.00 -3.52 -1.46 5.02 -1.26 -5.16 118.16 107.36 1f04 n LYS 19 Ca -0.07 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.01 1f04 n LYS 19 Cb 0.57 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.56 1f04 n LYS 19 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1f04 s SER 20 N 2.00 5.06 -0.38 4.39 0.01 -1.26 -5.01 113.70 118.50 1f04 s SER 20 Ca 0.00 -0.78 0.04 0.00 1.31 0.00 0.00 55.95 56.52 1f04 s SER 20 Cb 0.00 -0.41 0.16 0.00 0.21 0.00 0.00 66.02 65.98 1f04 s SER 20 CO 0.00 -0.76 0.41 -0.89 0.41 0.00 0.00 173.24 172.41 1f04 s THR 21 N -2.51 -0.39 0.41 1.44 2.01 -1.09 -2.75 115.64 112.77 1f04 s THR 21 Ca 0.48 -0.96 0.08 0.00 0.31 0.00 0.00 61.69 61.60 1f04 s THR 21 Cb -0.04 -0.60 -0.02 0.00 0.01 0.00 0.00 72.50 71.85 1f04 s THR 21 CO 0.28 -0.54 0.39 0.26 -0.69 0.00 0.00 174.62 174.32 1f04 s TRP 22 N 1.39 2.74 -0.01 4.92 0.52 0.56 -2.38 118.94 126.69 1f04 s TRP 22 Ca 0.18 -0.47 -0.30 0.00 0.02 0.00 0.00 56.10 55.53 1f04 s TRP 22 Cb -0.14 -2.16 0.12 0.00 -1.15 0.00 0.00 33.47 30.14 1f04 s TRP 22 CO -0.03 -0.12 1.28 -0.48 0.02 0.00 0.00 176.95 177.61 1f04 s LEU 23 N -4.14 -0.05 -0.15 2.99 0.05 -1.24 -0.28 118.68 115.86 1f04 s LEU 23 Ca 0.48 -0.16 0.00 0.00 0.05 0.00 0.00 54.13 54.50 1f04 s LEU 23 Cb -0.04 1.40 0.03 0.00 -2.05 0.00 0.00 46.19 45.52 1f04 s LEU 23 CO 0.28 -0.32 -0.12 -0.63 -0.55 0.00 0.00 176.35 175.01 1f04 s ILE 24 N -2.36 1.48 -0.41 1.48 1.01 -1.26 -2.74 121.20 118.40 1f04 s ILE 24 Ca 0.17 -0.64 -0.00 0.00 0.00 0.00 0.00 60.65 60.18 1f04 s ILE 24 Cb 0.04 -1.44 0.11 0.00 0.01 0.00 0.00 42.46 41.18 1f04 s ILE 24 CO -0.03 0.39 0.18 -0.76 0.00 0.00 0.00 174.94 174.71 1f04 s LEU 25 N 1.51 5.02 -0.98 2.97 1.02 0.08 -2.86 118.68 125.44 1f04 s LEU 25 Ca 0.04 -2.22 -0.02 0.00 0.02 0.00 0.00 54.13 51.95 1f04 s LEU 25 Cb -0.13 -1.75 -0.02 0.00 0.02 0.00 0.00 46.19 44.30 1f04 s LEU 25 CO -0.10 -0.45 0.83 1.41 0.02 0.00 0.00 176.35 178.06 1f04 n HIS 26 N 4.27 -1.96 -1.46 0.29 8.25 -1.26 -2.77 115.22 120.58 1f04 n HIS 26 Ca 0.01 0.78 -0.14 0.00 -0.26 0.00 0.00 57.72 58.11 1f04 n HIS 26 Cb 0.41 -4.36 -0.05 0.00 1.12 0.00 0.00 29.99 27.10 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 -3.42 -0.05 -4.53 4.41 4.01 -1.26 -5.00 117.16 111.32 1f04 n TYR 27 Ca -0.18 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.32 1f04 n TYR 27 Cb 0.63 -2.50 -0.16 0.00 -0.31 0.00 0.00 39.34 37.00 1f04 n TYR 27 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1f04 s LYS 28 N -3.28 1.53 -0.10 -0.72 1.02 -1.11 -0.58 119.74 116.49 1f04 s LYS 28 Ca 0.00 -0.38 -0.13 0.00 0.02 0.00 0.00 55.97 55.48 1f04 s LYS 28 Cb 0.00 -1.30 -0.05 0.00 -0.52 0.00 0.00 37.83 35.96 1f04 s LYS 28 CO 0.00 0.04 0.31 0.08 -0.92 0.00 0.00 175.35 174.86 1f04 s VAL 29 N 0.61 5.25 -0.12 3.17 1.01 -0.99 -0.74 120.40 128.59 1f04 s VAL 29 Ca -0.13 0.61 0.01 0.00 0.00 0.00 0.00 61.98 62.47 1f04 s VAL 29 Cb -0.15 -3.63 0.02 0.00 0.00 0.00 0.00 36.38 32.62 1f04 s VAL 29 CO 0.03 0.48 -0.12 -0.31 0.00 0.00 0.00 175.10 175.19 1f04 s TYR 30 N -0.26 1.79 -0.19 5.22 2.02 -1.11 -1.71 117.35 123.12 1f04 s TYR 30 Ca 0.19 -0.91 -0.27 0.00 -0.37 0.00 0.00 57.07 55.72 1f04 s TYR 30 Cb -0.14 -1.37 -0.01 0.00 -0.40 0.00 0.00 41.96 40.05 1f04 s TYR 30 CO 0.07 -0.53 0.91 0.34 -1.57 0.00 0.00 175.55 174.77 1f04 s ASP 31 N 1.39 7.01 -0.09 2.29 2.15 -0.85 -3.67 116.67 124.90 1f04 s ASP 31 Ca 0.01 1.25 0.13 0.00 0.43 0.00 0.00 52.55 54.37 1f04 s ASP 31 Cb -0.13 -2.49 0.23 0.00 -0.30 0.00 0.00 42.92 40.23 1f04 s ASP 31 CO -0.06 -0.49 1.12 0.18 -0.17 0.00 0.00 175.17 175.74 1f04 n LEU 32 N 5.58 1.53 -0.31 -1.34 4.77 -1.00 -4.80 117.00 121.43 1f04 n LEU 32 Ca 0.07 -2.44 0.05 0.00 -0.03 0.00 0.00 56.01 53.65 1f04 n LEU 32 Cb 0.48 -0.27 0.19 0.00 -2.33 0.00 0.00 43.42 41.50 1f04 n LEU 32 CO 0.49 0.65 1.16 0.74 -1.33 0.00 0.00 177.39 179.10 1f04 h THR 33 N 3.05 0.88 -0.89 -5.08 2.02 -1.88 0.18 112.91 111.20 1f04 h THR 33 Ca -0.02 -0.28 -0.50 0.00 0.77 0.00 0.00 66.41 66.38 1f04 h THR 33 Cb 1.22 -0.00 -0.27 0.00 -1.74 0.00 0.00 68.15 67.35 1f04 h THR 33 CO 0.01 0.15 0.63 1.17 0.37 0.00 0.00 175.52 177.85 1f04 n LYS 34 N -4.73 2.21 -0.25 6.66 4.81 -1.26 -3.87 118.16 121.72 1f04 n LYS 34 Ca 0.15 -2.74 0.00 0.00 -0.87 0.00 0.00 58.31 54.86 1f04 n LYS 34 Cb 0.32 -2.07 0.00 0.00 0.02 0.00 0.00 35.03 33.30 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 -0.89 0.00 0.09 5.64 7.35 0.61 -4.88 117.46 125.38 1f04 n PHE 35 Ca 0.54 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 57.19 1f04 n PHE 35 Cb 1.32 -0.02 -0.02 0.00 0.35 0.00 0.00 39.48 41.12 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 -0.20 -1.18 -2.13 3.38 -1.59 0.24 115.31 113.83 1f04 h LEU 36 Ca 0.00 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 1f04 h LEU 36 Cb 1.19 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.98 1f04 h LEU 36 CO 0.00 -0.12 -0.09 -0.33 0.09 0.00 0.00 178.44 177.99 1f04 h GLU 37 N -0.29 0.46 -0.21 1.13 5.08 -1.91 -3.14 114.58 115.69 1f04 h GLU 37 Ca -0.02 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.19 1f04 h GLU 37 Cb 0.18 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1f04 h GLU 37 CO 0.04 0.56 0.02 0.93 -1.00 0.00 0.00 179.01 179.56 1f04 h GLU 38 N 0.43 0.36 -5.84 2.33 4.39 -1.89 -3.42 114.58 110.93 1f04 h GLU 38 Ca 0.08 -0.10 -0.59 0.00 0.34 0.00 0.00 59.36 59.09 1f04 h GLU 38 Cb 0.43 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 1f04 h GLU 38 CO 0.02 0.52 1.51 1.58 -1.16 0.00 0.00 179.01 181.49 1f04 n HIS 39 N -4.71 1.61 -1.97 4.33 -0.00 0.83 -4.83 115.22 110.48 1f04 n HIS 39 Ca -0.04 0.13 -0.39 0.00 0.46 0.00 0.00 57.72 57.87 1f04 n HIS 39 Cb 0.21 -2.60 -0.03 0.00 -0.12 0.00 0.00 29.99 27.45 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 8.56 2.38 0.03 1.57 -0.04 -1.26 -3.54 135.00 142.70 1f04 n PRO 40 Ca 0.39 -2.63 0.00 0.00 -0.04 0.00 0.00 63.50 61.21 1f04 n PRO 40 Cb 0.35 -3.39 0.00 0.00 -0.04 0.00 0.00 33.50 30.42 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 5.02 -0.71 0.00 0.55 0.00 -1.26 -5.12 105.19 103.67 1f04 n GLY 41 Ca 0.49 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.61 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 -0.77 1.04 0.37 -0.02 0.00 -1.23 -4.98 105.19 99.59 1f04 n GLY 42 Ca 0.00 0.50 0.05 0.00 0.00 0.00 0.00 46.02 46.56 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 0.99 0.30 1.61 4.11 -1.80 0.21 114.58 120.00 1f04 h GLU 43 Ca 0.00 -0.06 -0.01 0.00 0.07 0.00 0.00 59.36 59.36 1f04 h GLU 43 Cb 0.00 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 1f04 h GLU 43 CO 0.00 0.65 -0.20 0.00 0.07 0.00 0.00 179.01 179.53 1f04 h ALA 44 N 1.51 -0.47 -0.39 1.06 0.00 -1.95 0.27 119.26 119.29 1f04 h ALA 44 Ca 0.40 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 1f04 h ALA 44 Cb 0.24 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1f04 h ALA 44 CO -0.16 -0.78 0.17 -0.24 0.00 0.00 0.00 179.25 178.24 1f04 h VAL 45 N -0.49 1.18 -0.92 0.00 3.04 -1.87 0.23 116.25 117.42 1f04 h VAL 45 Ca -0.03 -0.55 0.09 0.00 -1.01 0.00 0.00 66.70 65.21 1f04 h VAL 45 Cb 0.41 0.82 -0.07 0.00 -2.01 0.00 0.00 31.29 30.44 1f04 h VAL 45 CO 0.02 0.20 0.59 -0.07 -1.01 0.00 0.00 177.57 177.30 1f04 h LEU 46 N 0.49 0.85 -0.29 3.16 -0.00 -0.56 -0.19 115.31 118.77 1f04 h LEU 46 Ca 0.13 0.02 -0.20 0.00 -0.00 0.00 0.00 57.88 57.83 1f04 h LEU 46 Cb 0.16 -0.15 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1f04 h LEU 46 CO -0.01 0.50 -0.74 -0.09 -0.00 0.00 0.00 178.44 178.10 1f04 h ARG 47 N 0.94 0.61 -0.14 1.13 9.65 0.14 -1.01 114.38 125.71 1f04 h ARG 47 Ca 0.42 -0.49 -0.07 0.00 -1.10 0.00 0.00 59.98 58.74 1f04 h ARG 47 Cb 0.38 0.10 -0.00 0.00 -1.39 0.00 0.00 29.97 29.05 1f04 h ARG 47 CO -0.19 1.11 -0.20 0.00 2.80 0.00 0.00 179.97 183.49 1f04 h ALA 48 N 0.75 0.21 0.00 2.80 0.00 -0.14 -3.05 119.26 119.84 1f04 h ALA 48 Ca -0.04 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1f04 h ALA 48 Cb 1.34 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1f04 h ALA 48 CO 0.14 0.15 0.00 1.04 0.00 0.00 0.00 179.25 180.58 1f04 n GLN 49 N -4.50 0.24 -1.61 0.00 1.13 -0.12 -4.83 117.38 107.69 1f04 n GLN 49 Ca -0.06 0.32 -0.45 0.00 -1.94 0.00 0.00 57.00 54.87 1f04 n GLN 49 Cb 0.41 -1.85 -0.02 0.00 0.11 0.00 0.00 30.24 28.89 1f04 n GLN 49 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1f04 n ALA 50 N -1.79 0.03 0.00 -1.58 0.00 -0.38 -3.82 120.51 112.97 1f04 n ALA 50 Ca 0.04 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.87 1f04 n ALA 50 Cb 0.33 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.71 1f04 n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1f04 n GLY 51 N 1.28 4.14 0.00 0.00 0.00 0.61 -4.89 105.19 106.33 1f04 n GLY 51 Ca 0.09 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.30 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 0.16 1.95 -0.02 0.00 -1.25 -2.97 105.19 103.06 1f04 n GLY 52 Ca 0.00 -0.39 -0.04 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.08 -1.02 1.61 2.03 -1.26 -4.64 116.55 112.20 1f04 n ASP 53 Ca 0.00 -2.11 0.08 0.00 0.52 0.00 0.00 54.79 53.27 1f04 n ASP 53 Cb 0.00 0.45 0.25 0.00 -0.72 0.00 0.00 41.12 41.10 1f04 n ASP 53 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1f04 n ALA 54 N -0.81 2.69 0.41 -1.67 0.00 -1.19 -4.57 120.51 115.36 1f04 n ALA 54 Ca -0.20 -1.63 -0.18 0.00 0.00 0.00 0.00 53.44 51.43 1f04 n ALA 54 Cb 0.81 -0.70 -0.09 0.00 0.00 0.00 0.00 19.45 19.47 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 2.64 0.20 -0.75 0.00 2.02 -1.90 0.21 112.91 115.32 1f04 h THR 55 Ca 0.00 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.09 1f04 h THR 55 Cb 1.16 0.22 -0.04 0.00 -1.74 0.00 0.00 68.15 67.76 1f04 h THR 55 CO 0.14 0.01 0.48 0.00 0.37 0.00 0.00 175.52 176.52 1f04 h ALA 56 N -0.92 0.95 0.42 6.16 0.00 -1.91 -0.40 119.26 123.56 1f04 h ALA 56 Ca -0.11 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1f04 h ALA 56 Cb 0.80 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1f04 h ALA 56 CO 0.17 0.39 -0.20 -0.97 0.00 0.00 0.00 179.25 178.64 1f04 h ASN 57 N 1.02 -0.48 0.01 0.00 -0.73 -1.80 0.77 115.58 114.39 1f04 h ASN 57 Ca 0.27 -0.00 0.03 0.00 1.87 0.00 0.00 56.30 58.47 1f04 h ASN 57 Cb -0.09 0.12 -0.04 0.00 0.27 0.00 0.00 38.32 38.58 1f04 h ASN 57 CO -0.06 -0.31 -0.25 0.15 -0.37 0.00 0.00 177.43 176.59 1f04 h PHE 58 N -0.60 -0.68 -0.48 0.67 3.57 -0.35 0.10 116.94 119.18 1f04 h PHE 58 Ca -0.06 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.40 1f04 h PHE 58 Cb 0.45 0.30 -0.02 0.00 2.79 0.00 0.00 35.95 39.47 1f04 h PHE 58 CO -0.04 -0.34 0.07 1.05 -2.23 0.00 0.00 178.31 176.81 1f04 h GLU 59 N -0.40 0.80 -0.39 1.11 -0.00 -1.04 -0.31 114.58 114.35 1f04 h GLU 59 Ca 0.06 -0.22 0.03 0.00 -0.00 0.00 0.00 59.36 59.23 1f04 h GLU 59 Cb 0.48 -0.09 -0.03 0.00 -0.00 0.00 0.00 28.75 29.10 1f04 h GLU 59 CO -0.21 0.81 0.20 0.00 -0.00 0.00 0.00 179.01 179.80 1f04 h ALA 60 N 0.95 0.48 -0.23 1.06 0.00 -0.64 -2.09 119.26 118.80 1f04 h ALA 60 Ca 0.14 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.10 1f04 h ALA 60 Cb 0.41 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1f04 h ALA 60 CO 0.01 -0.17 0.03 0.28 0.00 0.00 0.00 179.25 179.41 1f04 h VAL 61 N 0.40 0.88 0.00 0.00 2.07 -0.58 -3.49 116.25 115.52 1f04 h VAL 61 Ca 0.16 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.65 1f04 h VAL 61 Cb 0.07 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 1f04 h VAL 61 CO -0.11 0.02 0.00 0.61 0.02 0.00 0.00 177.57 178.11 1f04 n GLY 62 N -1.19 -1.11 3.42 2.17 0.00 -0.14 -5.10 105.19 103.24 1f04 n GLY 62 Ca -0.02 -1.42 -0.15 0.00 0.00 0.00 0.00 46.02 44.43 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 -2.99 -0.48 0.75 1.61 3.76 -1.26 -4.99 115.29 111.69 1f04 s HIS 63 Ca 0.00 0.66 -0.01 0.00 -0.15 0.00 0.00 55.06 55.56 1f04 s HIS 63 Cb 0.00 0.34 0.14 0.00 1.11 0.00 0.00 32.58 34.18 1f04 s HIS 63 CO 0.00 -0.61 1.03 -1.12 -0.85 0.00 0.00 174.74 173.19 1f04 s SER 64 N -1.66 4.18 0.15 1.40 0.01 -1.26 -4.87 113.70 111.66 1f04 s SER 64 Ca -0.08 -0.44 -0.17 0.00 1.31 0.00 0.00 55.95 56.57 1f04 s SER 64 Cb -0.01 0.15 0.06 0.00 0.21 0.00 0.00 66.02 66.43 1f04 s SER 64 CO 0.03 -1.99 1.71 0.71 0.41 0.00 0.00 173.24 174.11 1f04 h THR 65 N -0.62 0.77 -0.59 1.44 1.35 -2.03 0.84 112.91 114.07 1f04 h THR 65 Ca -0.35 -0.04 0.12 0.00 -0.55 0.00 0.00 66.41 65.59 1f04 h THR 65 Cb 1.26 0.64 -0.10 0.00 -1.73 0.00 0.00 68.15 68.22 1f04 h THR 65 CO 0.38 0.02 -0.01 -0.78 -0.25 0.00 0.00 175.52 174.88 1f04 h ASP 66 N 0.12 -0.28 -0.37 5.36 1.82 -1.98 0.11 116.42 121.20 1f04 h ASP 66 Ca 0.16 0.15 -0.03 0.00 -0.39 0.00 0.00 57.03 56.92 1f04 h ASP 66 Cb 0.21 0.26 -0.02 0.00 0.68 0.00 0.00 39.33 40.47 1f04 h ASP 66 CO -0.26 -0.11 0.12 0.00 -1.61 0.00 0.00 179.24 177.38 1f04 h ALA 67 N 1.54 0.48 -0.53 -0.78 0.00 -1.75 0.34 119.26 118.56 1f04 h ALA 67 Ca 0.30 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 55.13 1f04 h ALA 67 Cb 0.48 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1f04 h ALA 67 CO -0.51 0.12 0.36 0.00 0.00 0.00 0.00 179.25 179.22 1f04 h ARG 68 N 0.45 0.40 0.18 0.00 3.08 0.82 0.12 114.38 119.43 1f04 h ARG 68 Ca 0.12 -0.02 -0.35 0.00 0.07 0.00 0.00 59.98 59.80 1f04 h ARG 68 Cb 0.24 -0.09 0.01 0.00 0.08 0.00 0.00 29.97 30.21 1f04 h ARG 68 CO -0.00 0.26 -1.76 0.93 -1.07 0.00 0.00 179.97 178.33 1f04 h GLU 69 N 0.41 0.38 0.30 0.04 4.39 -0.54 -3.30 114.58 116.27 1f04 h GLU 69 Ca 0.24 -0.66 -0.01 0.00 0.34 0.00 0.00 59.36 59.27 1f04 h GLU 69 Cb 0.41 0.24 0.00 0.00 -0.10 0.00 0.00 28.75 29.31 1f04 h GLU 69 CO -0.06 1.31 -0.14 1.25 -1.16 0.00 0.00 179.01 180.21 1f04 h LEU 70 N 0.09 -0.34 -0.92 1.33 5.85 0.01 -2.51 115.31 118.82 1f04 h LEU 70 Ca -0.35 -0.03 0.17 0.00 0.84 0.00 0.00 57.88 58.51 1f04 h LEU 70 Cb 2.08 0.09 -0.16 0.00 0.37 0.00 0.00 40.66 43.04 1f04 h LEU 70 CO 0.17 -0.20 -0.30 0.77 -0.34 0.00 0.00 178.44 178.54 1f04 h SER 71 N -0.46 -1.10 -0.82 1.25 4.64 -0.93 0.40 113.55 116.52 1f04 h SER 71 Ca -0.04 0.28 0.16 0.00 -0.47 0.00 0.00 61.79 61.72 1f04 h SER 71 Cb 0.35 0.64 -0.10 0.00 -0.31 0.00 0.00 62.40 62.98 1f04 h SER 71 CO 0.07 -0.30 0.37 0.11 -0.87 0.00 0.00 176.83 176.21 1f04 h LYS 72 N -0.02 0.48 -0.08 4.77 1.57 -1.53 0.45 116.57 122.21 1f04 h LYS 72 Ca 0.39 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 59.16 1f04 h LYS 72 Cb 0.64 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.83 1f04 h LYS 72 CO -0.94 0.32 0.07 1.15 -0.57 0.00 0.00 179.45 179.48 1f04 h THR 73 N 0.50 0.84 -0.08 -0.16 2.02 0.04 -0.54 112.91 115.53 1f04 h THR 73 Ca 0.46 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.64 1f04 h THR 73 Cb 0.73 0.95 0.00 0.00 -1.74 0.00 0.00 68.15 68.09 1f04 h THR 73 CO -0.42 0.00 0.00 0.49 0.37 0.00 0.00 175.52 175.96 1f04 n PHE 74 N -4.33 0.08 -1.95 3.16 3.72 0.13 -4.95 117.46 113.32 1f04 n PHE 74 Ca -0.01 -0.04 -0.42 0.00 -0.05 0.00 0.00 57.45 56.93 1f04 n PHE 74 Cb 0.18 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.69 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 -1.92 2.54 -0.65 4.37 2.07 0.21 -2.01 121.20 125.81 1f04 s ILE 75 Ca 0.34 0.43 0.09 0.00 -1.41 0.00 0.00 60.65 60.11 1f04 s ILE 75 Cb 0.20 -3.28 -0.05 0.00 0.13 0.00 0.00 42.46 39.47 1f04 s ILE 75 CO 0.31 0.06 0.50 2.30 -1.91 0.00 0.00 174.94 176.20 1f04 n ILE 76 N 2.73 0.00 0.00 2.00 -5.35 -0.69 -4.88 119.36 113.17 1f04 n ILE 76 Ca 0.09 -0.34 0.00 0.00 -0.27 0.00 0.00 62.75 62.23 1f04 n ILE 76 Cb 0.39 1.06 0.00 0.00 -1.74 0.00 0.00 39.64 39.35 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 1.05 0.22 3.34 3.28 0.00 -1.24 -4.80 105.19 107.04 1f04 n GLY 77 Ca 0.03 -1.19 -0.18 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.00 1.45 0.24 1.61 2.02 -1.26 -2.34 118.70 118.42 1f04 s GLU 78 Ca 0.00 -1.79 -0.30 0.00 0.02 0.00 0.00 54.97 52.90 1f04 s GLU 78 Cb 0.00 -0.40 -0.09 0.00 0.10 0.00 0.00 34.13 33.74 1f04 s GLU 78 CO 0.00 -0.26 1.27 -1.17 0.02 0.00 0.00 175.26 175.11 1f04 s LEU 79 N -3.35 4.44 0.37 1.80 2.96 0.25 -1.43 118.68 123.72 1f04 s LEU 79 Ca 0.37 2.43 -0.26 0.00 -0.22 0.00 0.00 54.13 56.45 1f04 s LEU 79 Cb 0.08 -3.62 -0.12 0.00 0.50 0.00 0.00 46.19 43.03 1f04 s LEU 79 CO 0.14 -0.46 1.17 1.57 -1.32 0.00 0.00 176.35 177.45 1f04 n HIS 80 N 1.97 1.81 0.66 5.38 -0.00 0.05 -4.71 115.22 120.38 1f04 n HIS 80 Ca 0.03 0.57 0.08 0.00 -0.00 0.00 0.00 57.72 58.40 1f04 n HIS 80 Cb 0.43 -2.33 0.38 0.00 -0.00 0.00 0.00 29.99 28.47 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 0.35 0.11 0.08 1.57 -0.04 -1.26 -2.47 135.00 133.33 1f04 n PRO 81 Ca 0.07 0.18 -0.08 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 32.38 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 0.32 -0.08 3.54 3.58 -1.98 -3.31 116.42 118.49 1f04 h ASP 82 Ca 0.00 -0.22 -0.06 0.00 0.42 0.00 0.00 57.03 57.17 1f04 h ASP 82 Cb 0.23 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.18 1f04 h ASP 82 CO 0.00 0.95 -0.19 -0.78 -2.88 0.00 0.00 179.24 176.33 1f04 h ASP 83 N 0.18 0.31 0.00 2.28 3.58 -1.86 -3.52 116.42 117.39 1f04 h ASP 83 Ca -0.03 -0.58 0.00 0.00 0.42 0.00 0.00 57.03 56.84 1f04 h ASP 83 Cb 1.30 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 42.26 1f04 h ASP 83 CO 0.12 0.84 0.00 0.54 -2.88 0.00 0.00 179.24 177.85