#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 5.29 0.00 0.00 1.01 -1.26 -5.11 120.40 120.33 1f04 s VAL 4 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 61.89 1f04 s VAL 4 Cb 0.00 -3.61 -0.00 0.00 0.00 0.00 0.00 36.38 32.77 1f04 s VAL 4 CO 0.00 0.16 -0.01 -0.75 0.00 0.00 0.00 175.10 174.50 1f04 s LYS 5 N -2.36 0.09 0.42 2.72 2.20 -1.26 -5.08 119.74 116.47 1f04 s LYS 5 Ca 0.35 -0.14 0.01 0.00 -0.36 0.00 0.00 55.97 55.83 1f04 s LYS 5 Cb -0.13 -0.00 -0.01 0.00 -1.51 0.00 0.00 37.83 36.18 1f04 s LYS 5 CO 0.23 -0.00 0.63 0.71 -0.36 0.00 0.00 175.35 176.56 1f04 s TYR 6 N -0.31 3.29 -0.01 4.03 1.51 -1.26 -3.60 117.35 120.99 1f04 s TYR 6 Ca -0.03 0.23 0.03 0.00 -1.01 0.00 0.00 57.07 56.29 1f04 s TYR 6 Cb -0.02 -2.19 -0.01 0.00 -0.11 0.00 0.00 41.96 39.63 1f04 s TYR 6 CO -0.00 -0.22 -0.10 0.71 -1.11 0.00 0.00 175.55 174.83 1f04 s TYR 7 N -2.47 0.93 0.42 2.71 2.02 -0.07 -4.85 117.35 116.04 1f04 s TYR 7 Ca 0.46 -0.18 -0.21 0.00 -0.37 0.00 0.00 57.07 56.77 1f04 s TYR 7 Cb -0.10 -0.60 -0.11 0.00 -0.40 0.00 0.00 41.96 40.76 1f04 s TYR 7 CO 0.37 -0.02 0.94 0.95 -1.57 0.00 0.00 175.55 176.23 1f04 s THR 8 N -0.24 4.39 0.23 -0.71 -4.23 -1.26 -0.63 115.64 113.19 1f04 s THR 8 Ca 0.04 1.49 -0.07 0.00 -1.18 0.00 0.00 61.69 61.97 1f04 s THR 8 Cb -0.04 -3.62 0.21 0.00 1.34 0.00 0.00 72.50 70.39 1f04 s THR 8 CO -0.00 -0.29 1.69 0.25 -0.54 0.00 0.00 174.62 175.72 1f04 h LEU 9 N 1.99 -0.04 -0.17 4.79 6.46 -1.94 -0.97 115.31 125.44 1f04 h LEU 9 Ca -0.49 0.14 0.03 0.00 -0.12 0.00 0.00 57.88 57.45 1f04 h LEU 9 Cb 1.18 0.20 -0.07 0.00 -0.73 0.00 0.00 40.66 41.24 1f04 h LEU 9 CO 0.61 -0.04 -0.53 -0.08 -0.62 0.00 0.00 178.44 177.78 1f04 h GLU 10 N 0.24 -0.53 -0.42 1.25 4.57 -1.93 0.35 114.58 118.10 1f04 h GLU 10 Ca 0.38 0.04 0.03 0.00 -1.18 0.00 0.00 59.36 58.63 1f04 h GLU 10 Cb 0.62 0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 29.30 1f04 h GLU 10 CO -0.49 -0.35 0.22 0.93 -1.18 0.00 0.00 179.01 178.13 1f04 h GLU 11 N -0.55 0.42 -0.67 1.92 3.07 -1.70 -1.12 114.58 115.95 1f04 h GLU 11 Ca 0.04 -0.03 0.06 0.00 -0.50 0.00 0.00 59.36 58.94 1f04 h GLU 11 Cb 0.67 -0.10 -0.06 0.00 -0.84 0.00 0.00 28.75 28.43 1f04 h GLU 11 CO -0.45 0.28 0.37 0.82 -1.40 0.00 0.00 179.01 178.62 1f04 h ILE 12 N 0.43 0.96 -0.39 3.13 2.04 -0.77 -2.47 117.51 120.44 1f04 h ILE 12 Ca 0.18 -0.23 0.08 0.00 1.00 0.00 0.00 64.86 65.89 1f04 h ILE 12 Cb 0.08 0.22 -0.08 0.00 -0.74 0.00 0.00 36.82 36.30 1f04 h ILE 12 CO -0.12 0.12 -0.14 1.56 0.00 0.00 0.00 178.15 179.58 1f04 h GLN 13 N 0.68 -0.06 -0.95 2.37 1.08 0.87 0.24 115.11 119.34 1f04 h GLN 13 Ca 0.30 0.00 0.22 0.00 -1.45 0.00 0.00 58.65 57.72 1f04 h GLN 13 Cb 0.19 0.01 -0.08 0.00 -0.05 0.00 0.00 27.48 27.56 1f04 h GLN 13 CO -0.19 -0.04 0.62 0.87 -0.95 0.00 0.00 178.83 179.15 1f04 h LYS 14 N -0.06 0.43 -3.54 1.46 1.57 -0.84 -2.62 116.57 112.97 1f04 h LYS 14 Ca 0.19 -0.03 -0.72 0.00 -1.87 0.00 0.00 60.65 58.22 1f04 h LYS 14 Cb 0.35 -0.10 -0.08 0.00 0.08 0.00 0.00 32.23 32.48 1f04 h LYS 14 CO -0.43 0.28 2.80 0.72 -0.57 0.00 0.00 179.45 182.26 1f04 n HIS 15 N -4.56 3.07 -2.80 -1.35 8.25 0.07 -4.41 115.22 113.50 1f04 n HIS 15 Ca 0.21 -2.92 -0.29 0.00 -0.26 0.00 0.00 57.72 54.47 1f04 n HIS 15 Cb 0.73 -2.27 -0.02 0.00 1.12 0.00 0.00 29.99 29.54 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 4.53 4.94 0.00 0.41 0.23 -0.99 -0.58 115.26 123.80 1f04 n ASN 16 Ca 0.53 -3.70 0.00 0.00 -0.53 0.00 0.00 54.58 50.88 1f04 n ASN 16 Cb 0.34 -0.62 0.00 0.00 -2.08 0.00 0.00 39.78 37.42 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 -0.28 0.00 -0.37 0.53 5.15 0.60 -4.82 115.26 116.07 1f04 n ASN 17 Ca 0.35 0.00 0.38 0.00 -0.60 0.00 0.00 54.58 54.71 1f04 n ASN 17 Cb 0.42 0.00 0.76 0.00 -0.53 0.00 0.00 39.78 40.43 1f04 n ASN 17 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 1f04 h SER 18 N 0.00 0.00 0.00 1.20 0.02 -1.91 -3.33 113.55 109.53 1f04 h SER 18 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1f04 h SER 18 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1f04 h SER 18 CO 0.00 0.00 0.00 1.17 -1.14 0.00 0.00 176.83 176.86 1f04 n LYS 19 N -4.14 0.00 -4.39 3.45 4.81 -1.26 -5.10 118.16 111.53 1f04 n LYS 19 Ca 0.28 0.00 -0.19 0.00 -0.87 0.00 0.00 58.31 57.53 1f04 n LYS 19 Cb 1.35 -0.23 -0.10 0.00 0.02 0.00 0.00 35.03 36.06 1f04 n LYS 19 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 1f04 s SER 20 N -5.37 2.00 -0.67 3.14 0.01 -1.25 -5.06 113.70 106.50 1f04 s SER 20 Ca 0.00 -1.34 -0.24 0.00 1.31 0.00 0.00 55.95 55.68 1f04 s SER 20 Cb 0.00 -0.01 0.05 0.00 0.21 0.00 0.00 66.02 66.27 1f04 s SER 20 CO 0.00 -0.60 1.06 -0.89 0.41 0.00 0.00 173.24 173.22 1f04 s THR 21 N -3.41 4.15 0.38 1.44 2.01 -1.26 -0.29 115.64 118.65 1f04 s THR 21 Ca 0.35 -0.04 0.07 0.00 0.31 0.00 0.00 61.69 62.38 1f04 s THR 21 Cb 0.08 -4.74 -0.00 0.00 0.01 0.00 0.00 72.50 67.85 1f04 s THR 21 CO 0.13 -1.53 0.49 0.26 -0.69 0.00 0.00 174.62 173.28 1f04 s TRP 22 N 4.55 2.94 -0.07 4.92 0.52 0.26 -2.34 118.94 129.72 1f04 s TRP 22 Ca 0.27 -0.32 -0.32 0.00 0.02 0.00 0.00 56.10 55.75 1f04 s TRP 22 Cb -0.14 -2.15 0.13 0.00 -1.15 0.00 0.00 33.47 30.16 1f04 s TRP 22 CO 0.13 -0.18 1.33 -0.48 0.02 0.00 0.00 176.95 177.77 1f04 s LEU 23 N -4.23 -0.05 -0.26 2.99 0.05 -1.23 -0.28 118.68 115.68 1f04 s LEU 23 Ca 0.49 -0.08 0.01 0.00 0.05 0.00 0.00 54.13 54.60 1f04 s LEU 23 Cb -0.09 1.26 0.05 0.00 -2.05 0.00 0.00 46.19 45.36 1f04 s LEU 23 CO 0.31 -0.20 -0.09 -0.63 -0.55 0.00 0.00 176.35 175.19 1f04 s ILE 24 N -2.29 2.44 -0.31 1.48 1.01 -1.26 -2.42 121.20 119.85 1f04 s ILE 24 Ca 0.14 -1.39 0.00 0.00 0.00 0.00 0.00 60.65 59.40 1f04 s ILE 24 Cb 0.05 -2.34 0.07 0.00 0.01 0.00 0.00 42.46 40.24 1f04 s ILE 24 CO -0.05 0.07 -0.00 -0.76 0.00 0.00 0.00 174.94 174.20 1f04 s LEU 25 N 1.19 4.04 -1.04 2.97 1.02 -0.32 -2.11 118.68 124.44 1f04 s LEU 25 Ca -0.05 -1.53 -0.04 0.00 0.02 0.00 0.00 54.13 52.53 1f04 s LEU 25 Cb -0.18 -1.66 -0.05 0.00 0.02 0.00 0.00 46.19 44.32 1f04 s LEU 25 CO -0.05 -0.29 0.90 1.41 0.02 0.00 0.00 176.35 178.34 1f04 n HIS 26 N 4.50 -2.27 -1.89 0.29 8.25 -1.26 -2.89 115.22 119.95 1f04 n HIS 26 Ca -0.10 0.84 -0.17 0.00 -0.26 0.00 0.00 57.72 58.03 1f04 n HIS 26 Cb 0.42 -4.31 -0.04 0.00 1.12 0.00 0.00 29.99 27.18 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 -3.39 -0.62 -4.29 4.41 4.01 -1.26 -4.95 117.16 111.06 1f04 n TYR 27 Ca -0.13 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.41 1f04 n TYR 27 Cb 0.63 -3.19 -0.16 0.00 -0.31 0.00 0.00 39.34 36.31 1f04 n TYR 27 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 1f04 s LYS 28 N -4.12 0.90 -0.17 -0.72 2.20 -1.14 -0.61 119.74 116.07 1f04 s LYS 28 Ca 0.00 -0.22 -0.09 0.00 -0.36 0.00 0.00 55.97 55.30 1f04 s LYS 28 Cb 0.00 -0.85 -0.05 0.00 -1.51 0.00 0.00 37.83 35.42 1f04 s LYS 28 CO 0.00 0.03 0.15 0.08 -0.36 0.00 0.00 175.35 175.25 1f04 s VAL 29 N 0.47 5.43 -0.21 4.02 1.01 0.71 -1.18 120.40 130.65 1f04 s VAL 29 Ca -0.07 0.23 0.02 0.00 0.00 0.00 0.00 61.98 62.16 1f04 s VAL 29 Cb -0.11 -3.46 0.04 0.00 0.00 0.00 0.00 36.38 32.84 1f04 s VAL 29 CO 0.01 0.49 -0.15 -0.31 0.00 0.00 0.00 175.10 175.14 1f04 s TYR 30 N -0.07 2.80 -0.56 5.22 1.51 -1.02 -1.69 117.35 123.54 1f04 s TYR 30 Ca 0.11 -1.80 -0.21 0.00 -1.01 0.00 0.00 57.07 54.15 1f04 s TYR 30 Cb -0.12 -1.84 0.06 0.00 -0.11 0.00 0.00 41.96 39.96 1f04 s TYR 30 CO 0.00 -0.81 0.80 0.34 -1.11 0.00 0.00 175.55 174.78 1f04 s ASP 31 N 1.27 6.24 0.00 2.29 2.15 0.19 -3.48 116.67 125.33 1f04 s ASP 31 Ca -0.00 -0.84 0.00 0.00 0.43 0.00 0.00 52.55 52.13 1f04 s ASP 31 Cb -0.16 -2.36 0.00 0.00 -0.30 0.00 0.00 42.92 40.10 1f04 s ASP 31 CO -0.09 -1.14 0.00 0.18 -0.17 0.00 0.00 175.17 173.95 1f04 n LEU 32 N 6.90 0.00 0.00 -1.34 4.32 -0.99 -4.72 117.00 121.17 1f04 n LEU 32 Ca -0.04 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.95 1f04 n LEU 32 Cb 0.46 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.26 1f04 n LEU 32 CO 0.60 0.00 0.00 1.07 -1.22 0.00 0.00 177.39 177.84 1f04 n THR 33 N 0.00 0.00 0.24 -5.08 5.66 -1.25 -3.81 114.28 110.04 1f04 n THR 33 Ca 0.00 0.00 0.08 0.00 -3.05 0.00 0.00 64.05 61.08 1f04 n THR 33 Cb 0.00 0.00 0.63 0.00 -1.55 0.00 0.00 70.33 69.41 1f04 n THR 33 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 175.07 172.52 1f04 h LYS 34 N 0.00 0.04 -0.01 1.09 3.64 -1.95 -2.46 116.57 116.92 1f04 h LYS 34 Ca 0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1f04 h LYS 34 Cb 0.00 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 1f04 h LYS 34 CO 0.00 0.02 -0.00 0.34 -2.27 0.00 0.00 179.45 177.54 1f04 n PHE 35 N -4.53 0.00 0.27 1.91 7.35 -1.25 -4.14 117.46 117.07 1f04 n PHE 35 Ca -0.03 0.00 -0.16 0.00 -0.76 0.00 0.00 57.45 56.50 1f04 n PHE 35 Cb 0.09 -0.00 -0.08 0.00 0.35 0.00 0.00 39.48 39.83 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 1.33 -0.64 -0.92 -2.13 3.38 -1.77 0.30 115.31 114.86 1f04 h LEU 36 Ca 0.00 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 1f04 h LEU 36 Cb 0.29 0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1f04 h LEU 36 CO 0.00 -0.43 -0.01 -0.08 0.09 0.00 0.00 178.44 178.02 1f04 h GLU 37 N -0.68 0.78 -0.26 1.13 4.81 -1.81 -3.15 114.58 115.40 1f04 h GLU 37 Ca -0.06 -0.21 -0.03 0.00 -0.13 0.00 0.00 59.36 58.93 1f04 h GLU 37 Cb 0.55 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 1f04 h GLU 37 CO 0.08 0.79 0.03 0.93 -0.73 0.00 0.00 179.01 180.11 1f04 h GLU 38 N 0.73 0.44 -5.84 1.92 5.08 -1.68 -3.43 114.58 111.79 1f04 h GLU 38 Ca 0.14 -0.13 -0.55 0.00 -1.00 0.00 0.00 59.36 57.83 1f04 h GLU 38 Cb 0.46 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1f04 h GLU 38 CO 0.02 0.58 1.54 1.58 -1.00 0.00 0.00 179.01 181.73 1f04 n HIS 39 N -4.66 1.74 0.30 4.33 -0.00 0.10 -4.84 115.22 112.19 1f04 n HIS 39 Ca -0.03 -0.01 0.18 0.00 0.46 0.00 0.00 57.72 58.32 1f04 n HIS 39 Cb 0.22 -2.68 0.90 0.00 -0.12 0.00 0.00 29.99 28.31 1f04 n HIS 39 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1f04 h PRO 40 N 16.41 0.00 0.00 1.57 0.13 -1.88 0.10 132.00 148.34 1f04 h PRO 40 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1f04 h PRO 40 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1f04 h PRO 40 CO 1.04 0.03 0.00 0.41 -0.23 0.00 0.00 178.00 179.25 1f04 n GLY 41 N -0.59 -0.73 0.00 1.56 0.00 -1.26 -4.95 105.19 99.22 1f04 n GLY 41 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.84 2.84 0.09 -0.02 0.00 0.02 -4.82 105.19 102.47 1f04 n GLY 42 Ca 0.01 -1.73 -0.16 0.00 0.00 0.00 0.00 46.02 44.14 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 0.11 -0.15 1.61 9.09 -1.75 -3.34 114.58 120.15 1f04 h GLU 43 Ca 0.00 -0.17 0.05 0.00 0.05 0.00 0.00 59.36 59.28 1f04 h GLU 43 Cb 0.00 0.06 -0.05 0.00 -1.65 0.00 0.00 28.75 27.11 1f04 h GLU 43 CO 0.00 1.05 -0.19 0.00 0.05 0.00 0.00 179.01 179.92 1f04 h ALA 44 N 0.07 -0.12 -0.48 1.06 0.00 -1.92 0.26 119.26 118.14 1f04 h ALA 44 Ca -0.04 0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1f04 h ALA 44 Cb 1.17 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 19.32 1f04 h ALA 44 CO 0.05 -0.64 0.30 -0.24 0.00 0.00 0.00 179.25 178.72 1f04 h VAL 45 N -0.23 1.08 -0.45 0.00 3.04 -1.88 0.18 116.25 118.00 1f04 h VAL 45 Ca 0.10 -0.21 0.04 0.00 -1.01 0.00 0.00 66.70 65.62 1f04 h VAL 45 Cb 0.39 0.42 -0.04 0.00 -2.01 0.00 0.00 31.29 30.05 1f04 h VAL 45 CO -0.28 0.11 0.23 -0.07 -1.01 0.00 0.00 177.57 176.55 1f04 h LEU 46 N 0.61 0.33 -0.60 3.16 3.38 -1.45 -0.37 115.31 120.38 1f04 h LEU 46 Ca 0.18 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.10 1f04 h LEU 46 Cb -0.03 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1f04 h LEU 46 CO -0.06 0.24 0.07 -0.09 0.09 0.00 0.00 178.44 178.68 1f04 h ARG 47 N 0.46 1.01 -0.08 1.13 1.12 0.31 0.35 114.38 118.67 1f04 h ARG 47 Ca 0.19 -0.29 -0.01 0.00 -1.11 0.00 0.00 59.98 58.77 1f04 h ARG 47 Cb 0.10 -0.11 -0.00 0.00 -0.01 0.00 0.00 29.97 29.94 1f04 h ARG 47 CO -0.13 0.96 0.02 0.00 -3.11 0.00 0.00 179.97 177.71 1f04 h ALA 48 N 1.00 0.10 0.00 2.80 0.00 -0.43 -2.93 119.26 119.80 1f04 h ALA 48 Ca 0.18 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1f04 h ALA 48 Cb 0.46 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1f04 h ALA 48 CO 0.02 -0.29 0.00 1.96 0.00 0.00 0.00 179.25 180.94 1f04 h GLN 49 N -0.06 0.00 -6.47 0.00 1.08 -0.79 -3.45 115.11 105.41 1f04 h GLN 49 Ca 0.03 0.00 -0.61 0.00 -1.45 0.00 0.00 58.65 56.61 1f04 h GLN 49 Cb 0.21 0.00 0.08 0.00 -0.05 0.00 0.00 27.48 27.72 1f04 h GLN 49 CO -0.00 0.00 0.46 0.00 -0.95 0.00 0.00 178.83 178.34 1f04 n ALA 50 N -2.00 0.25 0.00 3.87 0.00 0.12 -3.50 120.51 119.24 1f04 n ALA 50 Ca 0.02 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.89 1f04 n ALA 50 Cb 0.32 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.61 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 2.10 2.38 0.00 0.00 0.00 0.62 -4.70 105.19 105.59 1f04 n GLY 51 Ca 0.13 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.45 2.93 -0.02 0.00 -1.23 -1.76 105.19 104.66 1f04 n GLY 52 Ca 0.00 -1.48 -0.02 0.00 0.00 0.00 0.00 46.02 44.52 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 2.76 -0.32 -0.00 1.61 2.03 -1.26 -4.44 116.55 116.93 1f04 n ASP 53 Ca 0.00 -0.08 0.00 0.00 0.52 0.00 0.00 54.79 55.24 1f04 n ASP 53 Cb 0.00 -0.11 0.00 0.00 -0.72 0.00 0.00 41.12 40.29 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 -0.82 1.91 0.16 -1.67 0.00 -1.10 -4.79 120.51 114.20 1f04 n ALA 54 Ca -0.02 -0.98 -0.14 0.00 0.00 0.00 0.00 53.44 52.30 1f04 n ALA 54 Cb 0.05 -0.01 -0.07 0.00 0.00 0.00 0.00 19.45 19.41 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 0.31 0.71 -0.36 0.00 2.02 -1.74 0.11 112.91 113.96 1f04 h THR 55 Ca 0.00 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.20 1f04 h THR 55 Cb 0.56 0.71 -0.03 0.00 -1.74 0.00 0.00 68.15 67.66 1f04 h THR 55 CO 0.00 0.00 0.19 0.00 0.37 0.00 0.00 175.52 176.08 1f04 h ALA 56 N 0.41 0.45 -0.39 6.16 0.00 -1.89 0.34 119.26 124.34 1f04 h ALA 56 Ca -0.02 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1f04 h ALA 56 Cb 0.29 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1f04 h ALA 56 CO 0.03 -0.17 0.03 -0.97 0.00 0.00 0.00 179.25 178.16 1f04 h ASN 57 N 0.39 0.65 -0.01 0.00 -0.00 -1.83 0.15 115.58 114.93 1f04 h ASN 57 Ca 0.15 -0.29 0.03 0.00 -0.00 0.00 0.00 56.30 56.19 1f04 h ASN 57 Cb 0.05 -0.17 -0.03 0.00 -0.00 0.00 0.00 38.32 38.16 1f04 h ASN 57 CO -0.10 0.77 -0.16 0.15 -0.00 0.00 0.00 177.43 178.10 1f04 h PHE 58 N 0.50 -0.41 -0.13 0.67 3.57 -0.55 -2.30 116.94 118.29 1f04 h PHE 58 Ca 0.11 0.01 -0.16 0.00 3.53 0.00 0.00 57.97 61.47 1f04 h PHE 58 Cb 0.43 0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.34 1f04 h PHE 58 CO 0.03 -0.23 -0.58 1.05 -2.23 0.00 0.00 178.31 176.35 1f04 h GLU 59 N -0.26 0.41 -0.83 1.11 -0.00 -0.81 -2.56 114.58 111.65 1f04 h GLU 59 Ca 0.06 -0.27 0.12 0.00 -0.00 0.00 0.00 59.36 59.26 1f04 h GLU 59 Cb 0.33 0.04 -0.08 0.00 -0.00 0.00 0.00 28.75 29.03 1f04 h GLU 59 CO -0.16 0.88 0.45 0.00 -0.00 0.00 0.00 179.01 180.18 1f04 h ALA 60 N 1.06 1.22 -0.17 1.06 0.00 -0.63 -0.10 119.26 121.71 1f04 h ALA 60 Ca -0.00 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1f04 h ALA 60 Cb 1.11 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1f04 h ALA 60 CO 0.10 -0.00 0.10 0.28 0.00 0.00 0.00 179.25 179.73 1f04 h VAL 61 N 0.70 1.09 -0.18 0.00 2.07 -1.16 -3.49 116.25 115.29 1f04 h VAL 61 Ca 0.43 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.70 1f04 h VAL 61 Cb 0.51 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1f04 h VAL 61 CO -0.31 0.09 0.00 0.61 0.02 0.00 0.00 177.57 177.98 1f04 n GLY 62 N -0.95 0.87 3.67 2.17 0.00 -0.05 -5.05 105.19 105.84 1f04 n GLY 62 Ca -0.04 -0.77 -0.43 0.00 0.00 0.00 0.00 46.02 44.78 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 -2.06 2.75 1.30 1.61 3.76 -1.25 -5.02 115.29 116.38 1f04 s HIS 63 Ca 0.00 0.87 -0.20 0.00 -0.15 0.00 0.00 55.06 55.58 1f04 s HIS 63 Cb 0.00 -3.58 0.32 0.00 1.11 0.00 0.00 32.58 30.43 1f04 s HIS 63 CO 0.00 -2.11 1.02 -1.12 -0.85 0.00 0.00 174.74 171.68 1f04 s SER 64 N 2.12 0.01 0.12 1.40 0.01 -1.26 -4.63 113.70 111.48 1f04 s SER 64 Ca 0.59 0.82 -0.30 0.00 1.31 0.00 0.00 55.95 58.37 1f04 s SER 64 Cb -0.25 -1.18 -0.08 0.00 0.21 0.00 0.00 66.02 64.71 1f04 s SER 64 CO 0.20 -4.70 1.58 0.71 0.41 0.00 0.00 173.24 171.44 1f04 h THR 65 N -2.97 0.14 -0.75 1.44 1.35 -1.97 0.11 112.91 110.25 1f04 h THR 65 Ca -0.46 0.00 0.12 0.00 -0.55 0.00 0.00 66.41 65.52 1f04 h THR 65 Cb 1.32 0.14 -0.13 0.00 -1.73 0.00 0.00 68.15 67.75 1f04 h THR 65 CO 0.33 0.00 -0.38 -0.78 -0.25 0.00 0.00 175.52 174.44 1f04 h ASP 66 N -0.58 -1.36 -0.23 5.36 1.82 -1.98 0.30 116.42 119.74 1f04 h ASP 66 Ca 0.04 0.27 0.01 0.00 -0.39 0.00 0.00 57.03 56.96 1f04 h ASP 66 Cb 0.66 0.68 -0.02 0.00 0.68 0.00 0.00 39.33 41.33 1f04 h ASP 66 CO -0.32 -0.30 0.12 0.00 -1.61 0.00 0.00 179.24 177.13 1f04 h ALA 67 N 1.04 0.28 -0.56 -0.78 0.00 -1.78 0.29 119.26 117.76 1f04 h ALA 67 Ca 0.26 0.00 0.14 0.00 0.00 0.00 0.00 54.91 55.31 1f04 h ALA 67 Cb 0.56 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1f04 h ALA 67 CO -0.80 -0.28 0.39 -0.09 0.00 0.00 0.00 179.25 178.46 1f04 h ARG 68 N 0.25 0.11 0.00 0.00 9.65 0.15 -0.29 114.38 124.25 1f04 h ARG 68 Ca 0.09 -0.01 -0.13 0.00 -1.10 0.00 0.00 59.98 58.84 1f04 h ARG 68 Cb 0.01 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 28.55 1f04 h ARG 68 CO -0.06 0.07 -0.76 0.93 2.80 0.00 0.00 179.97 182.96 1f04 h GLU 69 N 0.12 0.00 -0.59 0.20 4.39 0.19 -3.35 114.58 115.54 1f04 h GLU 69 Ca 0.26 0.00 0.10 0.00 0.34 0.00 0.00 59.36 60.07 1f04 h GLU 69 Cb 0.89 0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 29.43 1f04 h GLU 69 CO -0.03 0.79 -0.33 1.25 -1.16 0.00 0.00 179.01 179.53 1f04 h LEU 70 N -1.00 -1.14 -0.99 1.33 5.85 -0.19 0.21 115.31 119.39 1f04 h LEU 70 Ca -0.19 0.22 0.36 0.00 0.84 0.00 0.00 57.88 59.11 1f04 h LEU 70 Cb 1.03 0.57 -0.17 0.00 0.37 0.00 0.00 40.66 42.46 1f04 h LEU 70 CO -0.12 -0.30 0.47 0.77 -0.34 0.00 0.00 178.44 178.93 1f04 h SER 71 N -0.16 0.28 -0.96 1.25 4.64 -1.23 0.19 113.55 117.55 1f04 h SER 71 Ca 0.23 0.24 0.19 0.00 -0.47 0.00 0.00 61.79 61.98 1f04 h SER 71 Cb 0.55 0.25 -0.11 0.00 -0.31 0.00 0.00 62.40 62.78 1f04 h SER 71 CO -0.67 -0.31 0.55 0.11 -0.87 0.00 0.00 176.83 175.63 1f04 h LYS 72 N 0.12 0.65 0.00 4.77 1.79 -0.70 0.86 116.57 124.07 1f04 h LYS 72 Ca 0.76 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 59.20 1f04 h LYS 72 Cb 1.87 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 32.38 1f04 h LYS 72 CO -0.73 0.43 0.00 1.15 -1.08 0.00 0.00 179.45 179.23 1f04 h THR 73 N 0.67 0.00 -0.18 -0.16 2.02 -0.70 -0.31 112.91 114.25 1f04 h THR 73 Ca 0.56 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 67.50 1f04 h THR 73 Cb 0.90 1.04 0.00 0.00 -1.74 0.00 0.00 68.15 68.35 1f04 h THR 73 CO -0.40 0.00 0.00 0.49 0.37 0.00 0.00 175.52 175.98 1f04 n PHE 74 N -2.61 0.22 -2.47 3.16 3.72 0.24 -5.00 117.46 114.72 1f04 n PHE 74 Ca 0.00 -0.16 -0.42 0.00 -0.05 0.00 0.00 57.45 56.82 1f04 n PHE 74 Cb 0.19 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 38.70 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 -1.25 4.18 -0.06 4.37 -1.16 -0.13 -0.64 121.20 126.51 1f04 s ILE 75 Ca 0.24 1.56 0.12 0.00 -0.51 0.00 0.00 60.65 62.06 1f04 s ILE 75 Cb 0.15 -4.00 -0.18 0.00 0.61 0.00 0.00 42.46 39.04 1f04 s ILE 75 CO 0.22 0.10 0.28 2.30 -2.81 0.00 0.00 174.94 175.02 1f04 n ILE 76 N 4.04 0.00 -2.60 2.00 -5.35 -0.68 -4.90 119.36 111.87 1f04 n ILE 76 Ca 0.09 -0.27 0.00 0.00 -0.27 0.00 0.00 62.75 62.30 1f04 n ILE 76 Cb 0.47 0.29 0.00 0.00 -1.74 0.00 0.00 39.64 38.66 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 1.79 -0.04 3.58 3.28 0.00 -1.23 -4.59 105.19 107.98 1f04 n GLY 77 Ca -0.02 -1.33 -0.26 0.00 0.00 0.00 0.00 46.02 44.41 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 1.91 0.18 1.61 2.02 -1.24 -0.21 118.70 120.97 1f04 s GLU 78 Ca 0.00 -1.94 -0.31 0.00 0.02 0.00 0.00 54.97 52.74 1f04 s GLU 78 Cb 0.00 -1.74 -0.09 0.00 0.10 0.00 0.00 34.13 32.40 1f04 s GLU 78 CO 0.00 0.08 1.47 -1.17 0.02 0.00 0.00 175.26 175.67 1f04 s LEU 79 N -3.66 4.38 0.23 1.80 2.96 0.22 -0.89 118.68 123.72 1f04 s LEU 79 Ca 0.34 2.54 -0.31 0.00 -0.22 0.00 0.00 54.13 56.48 1f04 s LEU 79 Cb 0.04 -3.60 -0.14 0.00 0.50 0.00 0.00 46.19 42.99 1f04 s LEU 79 CO 0.18 -0.73 1.36 1.57 -1.32 0.00 0.00 176.35 177.40 1f04 n HIS 80 N 3.46 2.02 0.33 5.38 -0.00 0.20 -4.76 115.22 121.85 1f04 n HIS 80 Ca 0.11 0.48 0.21 0.00 -0.00 0.00 0.00 57.72 58.52 1f04 n HIS 80 Cb 0.40 -2.43 1.14 0.00 -0.00 0.00 0.00 29.99 29.10 1f04 n HIS 80 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1f04 h PRO 81 N 3.99 0.00 -0.32 1.57 0.13 -1.92 -1.38 132.00 134.06 1f04 h PRO 81 Ca -0.45 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.66 1f04 h PRO 81 Cb 1.29 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.40 1f04 h PRO 81 CO 0.74 0.00 0.10 0.22 -0.23 0.00 0.00 178.00 178.83 1f04 h ASP 82 N 0.00 0.42 1.78 1.44 3.58 -1.98 -2.28 116.42 119.38 1f04 h ASP 82 Ca 0.00 -0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.41 1f04 h ASP 82 Cb 0.05 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 40.99 1f04 h ASP 82 CO -0.00 0.41 0.00 -0.78 -2.88 0.00 0.00 179.24 175.99 1f04 h ASP 83 N 0.46 0.00 0.00 2.28 3.58 -1.61 -3.53 116.42 117.60 1f04 h ASP 83 Ca 0.11 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.56 1f04 h ASP 83 Cb 0.15 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.20 1f04 h ASP 83 CO -0.01 0.00 0.00 -1.14 -2.88 0.00 0.00 179.24 175.21