#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f04 n VAL 4 N 0.00 2.96 -3.84 0.00 3.14 -1.26 -5.02 118.33 114.31 1f04 n VAL 4 Ca 0.00 -0.50 -0.26 0.00 -2.96 0.00 0.00 64.34 60.62 1f04 n VAL 4 Cb 0.00 -1.53 -0.17 0.00 -1.06 0.00 0.00 33.84 31.08 1f04 n VAL 4 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 1f04 s LYS 5 N -2.41 1.14 0.69 1.45 2.20 -1.26 -5.10 119.74 116.43 1f04 s LYS 5 Ca 0.65 -0.28 -0.15 0.00 -0.36 0.00 0.00 55.97 55.83 1f04 s LYS 5 Cb -0.48 -1.66 0.01 0.00 -1.51 0.00 0.00 37.83 34.20 1f04 s LYS 5 CO 0.55 -0.39 1.14 0.71 -0.36 0.00 0.00 175.35 176.99 1f04 s TYR 6 N 1.77 2.44 0.03 4.03 1.51 -1.26 -4.29 117.35 121.58 1f04 s TYR 6 Ca 0.03 1.57 0.07 0.00 -1.01 0.00 0.00 57.07 57.72 1f04 s TYR 6 Cb -0.14 -3.25 -0.02 0.00 -0.11 0.00 0.00 41.96 38.43 1f04 s TYR 6 CO -0.07 -1.96 -0.20 0.71 -1.11 0.00 0.00 175.55 172.92 1f04 s TYR 7 N -2.25 1.72 0.50 2.71 2.02 -0.42 -4.82 117.35 116.81 1f04 s TYR 7 Ca 0.69 -0.36 -0.08 0.00 -0.37 0.00 0.00 57.07 56.94 1f04 s TYR 7 Cb -0.23 -1.04 -0.05 0.00 -0.40 0.00 0.00 41.96 40.25 1f04 s TYR 7 CO 0.43 0.07 0.85 0.95 -1.57 0.00 0.00 175.55 176.27 1f04 s THR 8 N -0.75 4.82 0.28 -0.71 -4.23 -1.26 -0.99 115.64 112.81 1f04 s THR 8 Ca 0.07 0.49 0.02 0.00 -1.18 0.00 0.00 61.69 61.09 1f04 s THR 8 Cb -0.08 -3.83 0.27 0.00 1.34 0.00 0.00 72.50 70.20 1f04 s THR 8 CO 0.01 -0.84 1.79 0.25 -0.54 0.00 0.00 174.62 175.29 1f04 h LEU 9 N 0.36 0.73 0.73 4.79 6.46 -1.96 0.41 115.31 126.84 1f04 h LEU 9 Ca -0.46 0.08 -0.03 0.00 -0.12 0.00 0.00 57.88 57.35 1f04 h LEU 9 Cb 1.20 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 41.07 1f04 h LEU 9 CO 0.62 0.31 -0.47 -0.08 -0.62 0.00 0.00 178.44 178.20 1f04 h GLU 10 N 0.78 -1.09 -0.27 1.25 4.57 -1.94 0.28 114.58 118.16 1f04 h GLU 10 Ca 0.52 0.07 0.06 0.00 -1.18 0.00 0.00 59.36 58.83 1f04 h GLU 10 Cb 0.71 0.25 -0.07 0.00 -0.16 0.00 0.00 28.75 29.48 1f04 h GLU 10 CO -0.34 -0.73 -0.17 0.93 -1.18 0.00 0.00 179.01 177.51 1f04 h GLU 11 N -1.14 -0.15 -0.56 1.92 3.07 -1.80 -1.54 114.58 114.39 1f04 h GLU 11 Ca -0.10 0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 58.77 1f04 h GLU 11 Cb 0.92 0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 28.83 1f04 h GLU 11 CO 0.08 -0.10 0.35 0.82 -1.40 0.00 0.00 179.01 178.76 1f04 h ILE 12 N -0.15 1.16 -0.93 3.13 2.04 -0.87 -2.31 117.51 119.56 1f04 h ILE 12 Ca 0.15 -0.34 0.14 0.00 1.00 0.00 0.00 64.86 65.81 1f04 h ILE 12 Cb 0.38 0.38 -0.09 0.00 -0.74 0.00 0.00 36.82 36.74 1f04 h ILE 12 CO -0.36 0.16 0.55 1.56 0.00 0.00 0.00 178.15 180.06 1f04 h GLN 13 N 0.75 0.77 -0.27 2.37 1.08 0.46 0.56 115.11 120.83 1f04 h GLN 13 Ca 0.20 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.36 1f04 h GLN 13 Cb -0.04 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.20 1f04 h GLN 13 CO -0.04 0.51 0.18 0.87 -0.95 0.00 0.00 178.83 179.40 1f04 h LYS 14 N 0.79 0.36 -3.10 1.46 1.57 -0.72 -2.93 116.57 114.00 1f04 h LYS 14 Ca 0.50 -0.02 -0.73 0.00 -1.87 0.00 0.00 60.65 58.53 1f04 h LYS 14 Cb 0.64 -0.08 -0.09 0.00 0.08 0.00 0.00 32.23 32.78 1f04 h LYS 14 CO -0.33 0.24 2.70 0.72 -0.57 0.00 0.00 179.45 182.21 1f04 n HIS 15 N -4.50 2.76 0.26 -1.35 8.25 0.19 -4.23 115.22 116.60 1f04 n HIS 15 Ca 0.01 -2.89 0.06 0.00 -0.26 0.00 0.00 57.72 54.64 1f04 n HIS 15 Cb 0.07 -2.09 -0.08 0.00 1.12 0.00 0.00 29.99 29.01 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 3.20 1.43 -4.99 0.41 0.23 -1.10 -0.53 115.26 113.90 1f04 n ASN 16 Ca 0.58 -0.36 -0.19 0.00 -0.53 0.00 0.00 54.58 54.09 1f04 n ASN 16 Cb 0.29 1.31 0.00 0.00 -2.08 0.00 0.00 39.78 39.30 1f04 n ASN 16 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 1f04 s ASN 17 N -2.83 5.88 -0.88 0.53 2.47 -1.16 -4.74 114.94 114.20 1f04 s ASN 17 Ca -0.00 -0.23 -0.25 0.00 0.42 0.00 0.00 52.86 52.79 1f04 s ASN 17 Cb 0.08 -1.09 -0.20 0.00 -1.45 0.00 0.00 41.25 38.60 1f04 s ASN 17 CO 0.51 -0.53 1.93 -0.24 -3.72 0.00 0.00 177.10 175.04 1f04 n SER 18 N -1.71 2.08 0.00 -4.21 2.88 -1.26 -1.00 113.62 110.40 1f04 n SER 18 Ca 0.02 -2.60 0.00 0.00 -1.33 0.00 0.00 58.87 54.96 1f04 n SER 18 Cb 0.58 -1.42 0.00 0.00 -0.75 0.00 0.00 64.21 62.63 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 7.96 0.00 -3.25 -1.46 5.02 -1.26 -5.08 118.16 120.09 1f04 n LYS 19 Ca 0.45 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.69 1f04 n LYS 19 Cb 0.45 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.42 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 0.00 -0.29 -0.55 4.39 0.01 -0.17 -4.97 113.70 112.12 1f04 s SER 20 Ca 0.00 -0.20 -0.20 0.00 1.31 0.00 0.00 55.95 56.86 1f04 s SER 20 Cb 0.00 1.42 0.07 0.00 0.21 0.00 0.00 66.02 67.72 1f04 s SER 20 CO 0.00 -0.34 0.71 -0.89 0.41 0.00 0.00 173.24 173.14 1f04 s THR 21 N 2.63 4.76 0.35 1.44 2.01 -1.25 -2.69 115.64 122.89 1f04 s THR 21 Ca 0.10 -0.52 0.08 0.00 0.31 0.00 0.00 61.69 61.65 1f04 s THR 21 Cb -0.12 -4.41 -0.03 0.00 0.01 0.00 0.00 72.50 67.95 1f04 s THR 21 CO -0.29 -0.98 0.26 0.26 -0.69 0.00 0.00 174.62 173.18 1f04 s TRP 22 N 2.92 2.82 0.02 4.92 0.52 0.30 -3.08 118.94 127.36 1f04 s TRP 22 Ca 0.16 -0.36 -0.29 0.00 0.02 0.00 0.00 56.10 55.64 1f04 s TRP 22 Cb -0.20 -1.80 0.11 0.00 -1.15 0.00 0.00 33.47 30.43 1f04 s TRP 22 CO 0.11 0.19 1.23 -0.48 0.02 0.00 0.00 176.95 178.02 1f04 s LEU 23 N -3.97 -0.08 -0.22 2.99 0.05 -1.20 -0.35 118.68 115.90 1f04 s LEU 23 Ca 0.41 -0.19 0.00 0.00 0.05 0.00 0.00 54.13 54.40 1f04 s LEU 23 Cb -0.04 1.53 0.03 0.00 -2.05 0.00 0.00 46.19 45.65 1f04 s LEU 23 CO 0.25 -0.41 -0.12 -0.63 -0.55 0.00 0.00 176.35 174.89 1f04 s ILE 24 N -2.58 2.44 -0.33 1.48 1.01 -1.26 -2.04 121.20 119.92 1f04 s ILE 24 Ca 0.14 -1.08 -0.02 0.00 0.00 0.00 0.00 60.65 59.70 1f04 s ILE 24 Cb 0.04 -2.19 0.07 0.00 0.01 0.00 0.00 42.46 40.38 1f04 s ILE 24 CO -0.03 0.30 0.05 -0.76 0.00 0.00 0.00 174.94 174.51 1f04 s LEU 25 N 1.28 4.28 -1.08 2.97 1.02 -0.55 -2.19 118.68 124.41 1f04 s LEU 25 Ca 0.01 -1.52 -0.04 0.00 0.02 0.00 0.00 54.13 52.59 1f04 s LEU 25 Cb -0.16 -1.73 -0.05 0.00 0.02 0.00 0.00 46.19 44.27 1f04 s LEU 25 CO -0.08 -0.34 0.93 1.41 0.02 0.00 0.00 176.35 178.29 1f04 n HIS 26 N 4.58 -2.35 -1.28 0.29 8.25 -1.26 -2.74 115.22 120.71 1f04 n HIS 26 Ca -0.09 0.87 -0.10 0.00 -0.26 0.00 0.00 57.72 58.14 1f04 n HIS 26 Cb 0.43 -4.38 -0.04 0.00 1.12 0.00 0.00 29.99 27.12 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 -3.46 0.00 -5.06 4.41 4.02 -1.26 -4.96 117.16 110.86 1f04 n TYR 27 Ca -0.13 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.44 1f04 n TYR 27 Cb 0.63 -2.63 -0.16 0.00 -0.02 0.00 0.00 39.34 37.16 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 -2.78 2.98 -0.13 -0.72 -0.14 -1.11 -0.41 119.74 117.42 1f04 s LYS 28 Ca 0.00 -0.81 -0.11 0.00 -1.36 0.00 0.00 55.97 53.69 1f04 s LYS 28 Cb 0.00 -2.38 -0.05 0.00 -1.68 0.00 0.00 37.83 33.72 1f04 s LYS 28 CO 0.00 0.29 0.23 0.08 -0.76 0.00 0.00 175.35 175.19 1f04 s VAL 29 N 0.10 5.34 -0.10 3.17 1.01 0.66 -1.48 120.40 129.10 1f04 s VAL 29 Ca -0.09 0.43 0.04 0.00 0.00 0.00 0.00 61.98 62.35 1f04 s VAL 29 Cb -0.15 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.68 1f04 s VAL 29 CO 0.06 0.49 -0.24 -0.31 0.00 0.00 0.00 175.10 175.10 1f04 s TYR 30 N -0.19 2.55 -0.38 5.22 1.51 -0.87 -1.39 117.35 123.80 1f04 s TYR 30 Ca 0.15 -1.06 -0.14 0.00 -1.01 0.00 0.00 57.07 55.01 1f04 s TYR 30 Cb -0.13 -1.71 0.01 0.00 -0.11 0.00 0.00 41.96 40.03 1f04 s TYR 30 CO 0.04 -0.43 0.26 0.34 -1.11 0.00 0.00 175.55 174.65 1f04 s ASP 31 N 0.38 6.01 0.00 2.29 2.15 -0.20 -3.25 116.67 124.04 1f04 s ASP 31 Ca -0.18 -0.79 0.00 0.00 0.43 0.00 0.00 52.55 52.01 1f04 s ASP 31 Cb -0.18 -2.13 0.00 0.00 -0.30 0.00 0.00 42.92 40.32 1f04 s ASP 31 CO 0.08 -0.38 0.00 0.18 -0.17 0.00 0.00 175.17 174.88 1f04 n LEU 32 N 5.11 0.00 0.00 -1.34 4.32 -1.18 -4.74 117.00 119.18 1f04 n LEU 32 Ca -0.12 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.87 1f04 n LEU 32 Cb 0.48 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.28 1f04 n LEU 32 CO 0.39 0.00 0.00 1.07 -1.22 0.00 0.00 177.39 177.63 1f04 n THR 33 N -0.16 0.00 0.30 -5.08 5.66 -1.25 -3.85 114.28 109.89 1f04 n THR 33 Ca 0.00 0.00 0.13 0.00 -3.05 0.00 0.00 64.05 61.13 1f04 n THR 33 Cb 0.00 0.00 0.33 0.00 -1.55 0.00 0.00 70.33 69.11 1f04 n THR 33 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 1f04 h LYS 34 N 0.00 0.00 -0.01 1.09 1.57 -1.93 -3.22 116.57 114.06 1f04 h LYS 34 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1f04 h LYS 34 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1f04 h LYS 34 CO 0.00 0.00 -0.01 0.34 -0.57 0.00 0.00 179.45 179.21 1f04 n PHE 35 N -2.94 0.00 0.30 -1.35 7.35 -1.25 -4.41 117.46 115.16 1f04 n PHE 35 Ca 0.03 0.00 -0.18 0.00 -0.76 0.00 0.00 57.45 56.55 1f04 n PHE 35 Cb 0.45 -0.01 -0.09 0.00 0.35 0.00 0.00 39.48 40.18 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 1.55 -1.19 -0.84 -2.13 3.38 -1.89 0.33 115.31 114.51 1f04 h LEU 36 Ca 0.00 0.09 -0.10 0.00 0.09 0.00 0.00 57.88 57.96 1f04 h LEU 36 Cb 0.34 0.39 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 1f04 h LEU 36 CO 0.00 -0.62 -0.17 -0.33 0.09 0.00 0.00 178.44 177.41 1f04 h GLU 37 N -0.95 0.67 -0.72 1.13 5.08 -1.87 -3.13 114.58 114.80 1f04 h GLU 37 Ca -0.06 -0.24 -0.04 0.00 -1.00 0.00 0.00 59.36 58.02 1f04 h GLU 37 Cb 0.81 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.99 1f04 h GLU 37 CO -0.03 0.81 0.27 0.93 -1.00 0.00 0.00 179.01 180.00 1f04 h GLU 38 N 0.60 1.08 -6.15 2.33 5.08 -1.70 -3.44 114.58 112.38 1f04 h GLU 38 Ca 0.10 -0.20 -0.65 0.00 -1.00 0.00 0.00 59.36 57.60 1f04 h GLU 38 Cb 0.63 -0.17 0.01 0.00 0.50 0.00 0.00 28.75 29.72 1f04 h GLU 38 CO 0.04 0.90 1.19 1.58 -1.00 0.00 0.00 179.01 181.72 1f04 n HIS 39 N -4.34 2.07 -1.34 4.33 -0.00 0.11 -4.84 115.22 111.22 1f04 n HIS 39 Ca 0.06 0.14 -0.38 0.00 0.46 0.00 0.00 57.72 58.00 1f04 n HIS 39 Cb 0.19 -2.61 -0.02 0.00 -0.12 0.00 0.00 29.99 27.43 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 7.05 3.23 -0.81 1.57 -0.04 -1.26 -3.15 135.00 141.60 1f04 n PRO 40 Ca 0.29 -2.19 -0.03 0.00 -0.04 0.00 0.00 63.50 61.52 1f04 n PRO 40 Cb 0.26 -2.88 -0.03 0.00 -0.04 0.00 0.00 33.50 30.82 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 3.76 -0.00 0.15 0.55 0.00 -1.26 -5.15 105.19 103.24 1f04 n GLY 41 Ca 0.68 -0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.70 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 -0.04 -2.85 0.11 -0.02 0.00 -1.19 -4.65 105.19 96.56 1f04 n GLY 42 Ca -0.13 -1.30 -0.20 0.00 0.00 0.00 0.00 46.02 44.38 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 -0.03 0.17 -0.75 1.61 -0.00 -1.83 -3.39 114.58 110.36 1f04 h GLU 43 Ca -0.01 -0.30 0.15 0.00 -0.00 0.00 0.00 59.36 59.21 1f04 h GLU 43 Cb 0.11 0.11 -0.10 0.00 -0.00 0.00 0.00 28.75 28.87 1f04 h GLU 43 CO 0.00 1.14 0.26 0.00 -0.00 0.00 0.00 179.01 180.41 1f04 h ALA 44 N -0.10 1.03 -0.35 1.06 0.00 -1.90 0.05 119.26 119.06 1f04 h ALA 44 Ca -0.25 0.14 0.06 0.00 0.00 0.00 0.00 54.91 54.87 1f04 h ALA 44 Cb 1.56 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 19.43 1f04 h ALA 44 CO 0.02 -0.27 -0.01 -0.39 0.00 0.00 0.00 179.25 178.60 1f04 h VAL 45 N 0.37 0.73 0.01 0.00 -1.51 -1.83 0.33 116.25 114.35 1f04 h VAL 45 Ca 0.42 -0.03 -0.00 0.00 -1.23 0.00 0.00 66.70 65.86 1f04 h VAL 45 Cb 0.68 0.63 0.00 0.00 -2.13 0.00 0.00 31.29 30.47 1f04 h VAL 45 CO -0.45 0.02 -0.00 -0.07 -1.23 0.00 0.00 177.57 175.83 1f04 h LEU 46 N 0.09 -0.01 -1.47 4.19 3.38 -1.30 -0.86 115.31 119.33 1f04 h LEU 46 Ca 0.17 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 1f04 h LEU 46 Cb 0.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1f04 h LEU 46 CO -0.30 0.19 -0.26 0.03 0.09 0.00 0.00 178.44 178.19 1f04 h ARG 47 N -0.20 0.00 0.08 1.13 2.47 -0.43 0.34 114.38 117.76 1f04 h ARG 47 Ca -0.00 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1f04 h ARG 47 Cb 0.20 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.52 1f04 h ARG 47 CO 0.00 0.26 -0.04 0.00 0.56 0.00 0.00 179.97 180.76 1f04 h ALA 48 N 1.74 -0.11 0.00 0.04 0.00 -0.28 -3.32 119.26 117.32 1f04 h ALA 48 Ca -0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1f04 h ALA 48 Cb 0.54 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1f04 h ALA 48 CO 0.03 -0.16 0.00 1.04 0.00 0.00 0.00 179.25 180.16 1f04 n GLN 49 N -4.81 0.03 -1.56 0.00 1.13 -0.34 -4.83 117.38 107.01 1f04 n GLN 49 Ca -0.07 0.10 -0.55 0.00 -1.94 0.00 0.00 57.00 54.53 1f04 n GLN 49 Cb 0.28 -1.54 -0.07 0.00 0.11 0.00 0.00 30.24 29.02 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 -1.53 -2.02 0.00 -1.58 0.00 0.12 -3.69 120.51 111.80 1f04 n ALA 50 Ca 0.06 0.55 0.00 0.00 0.00 0.00 0.00 53.44 54.05 1f04 n ALA 50 Cb 0.30 -1.95 0.00 0.00 0.00 0.00 0.00 19.45 17.80 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 2.17 2.79 0.00 0.00 0.00 0.52 -4.72 105.19 105.96 1f04 n GLY 51 Ca 0.19 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 0.50 2.70 -0.02 0.00 -1.24 -1.70 105.19 105.43 1f04 n GLY 52 Ca 0.00 -0.28 -0.09 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.50 -0.27 1.61 2.03 -1.26 -4.66 116.55 111.51 1f04 n ASP 53 Ca 0.00 -3.36 0.03 0.00 0.52 0.00 0.00 54.79 51.97 1f04 n ASP 53 Cb 0.00 1.66 0.06 0.00 -0.72 0.00 0.00 41.12 42.11 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 1.29 2.19 0.23 -1.67 0.00 -1.12 -4.72 120.51 116.72 1f04 n ALA 54 Ca 0.09 -0.92 -0.15 0.00 0.00 0.00 0.00 53.44 52.46 1f04 n ALA 54 Cb 0.64 -0.19 -0.08 0.00 0.00 0.00 0.00 19.45 19.82 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 0.95 0.61 -0.40 0.00 2.02 -1.83 0.19 112.91 114.45 1f04 h THR 55 Ca 0.00 -0.04 0.05 0.00 0.77 0.00 0.00 66.41 67.19 1f04 h THR 55 Cb 0.50 0.63 -0.04 0.00 -1.74 0.00 0.00 68.15 67.50 1f04 h THR 55 CO 0.00 0.01 0.14 0.00 0.37 0.00 0.00 175.52 176.04 1f04 h ALA 56 N 0.04 0.47 0.02 6.16 0.00 -1.90 -0.67 119.26 123.39 1f04 h ALA 56 Ca -0.05 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1f04 h ALA 56 Cb 0.42 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1f04 h ALA 56 CO 0.09 -0.24 -0.01 -0.97 0.00 0.00 0.00 179.25 178.11 1f04 h ASN 57 N 0.31 -0.04 -0.27 0.00 -0.00 -1.78 0.23 115.58 114.03 1f04 h ASN 57 Ca 0.18 0.00 0.05 0.00 -0.00 0.00 0.00 56.30 56.54 1f04 h ASN 57 Cb 0.16 0.01 -0.05 0.00 -0.00 0.00 0.00 38.32 38.45 1f04 h ASN 57 CO -0.19 -0.02 -0.05 0.15 -0.00 0.00 0.00 177.43 177.32 1f04 h PHE 58 N -0.03 -0.11 -0.40 0.67 3.57 -0.37 -1.84 116.94 118.41 1f04 h PHE 58 Ca 0.00 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.41 1f04 h PHE 58 Cb 0.03 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 1f04 h PHE 58 CO -0.08 -0.10 -0.17 0.93 -2.23 0.00 0.00 178.31 176.66 1f04 h GLU 59 N 0.02 0.83 -0.23 1.11 4.39 -0.92 0.01 114.58 119.78 1f04 h GLU 59 Ca 0.13 -0.35 0.04 0.00 0.34 0.00 0.00 59.36 59.52 1f04 h GLU 59 Cb 0.19 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.77 1f04 h GLU 59 CO -0.26 0.98 0.00 0.00 -1.16 0.00 0.00 179.01 178.57 1f04 h ALA 60 N 0.82 0.20 -0.26 3.43 0.00 -0.31 -1.79 119.26 121.35 1f04 h ALA 60 Ca 0.09 0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.90 1f04 h ALA 60 Cb 0.72 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 1f04 h ALA 60 CO 0.05 -0.42 -0.50 -0.39 0.00 0.00 0.00 179.25 177.99 1f04 h VAL 61 N 0.07 1.29 0.00 0.00 -1.51 -1.37 -3.50 116.25 111.24 1f04 h VAL 61 Ca 0.11 -1.70 0.00 0.00 -1.23 0.00 0.00 66.70 63.88 1f04 h VAL 61 Cb 0.14 1.62 0.00 0.00 -2.13 0.00 0.00 31.29 30.92 1f04 h VAL 61 CO -0.19 0.55 0.00 0.61 -1.23 0.00 0.00 177.57 177.31 1f04 n GLY 62 N 0.24 0.05 3.30 5.19 0.00 -0.01 -5.09 105.19 108.86 1f04 n GLY 62 Ca -0.03 -1.57 -0.08 0.00 0.00 0.00 0.00 46.02 44.34 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 -2.88 -0.80 0.83 1.61 3.76 -1.26 -4.92 115.29 111.63 1f04 s HIS 63 Ca 0.00 1.55 -0.13 0.00 -0.15 0.00 0.00 55.06 56.33 1f04 s HIS 63 Cb 0.00 0.34 0.10 0.00 1.11 0.00 0.00 32.58 34.12 1f04 s HIS 63 CO 0.00 -0.47 1.20 0.45 -0.85 0.00 0.00 174.74 175.07 1f04 s SER 64 N 2.40 4.32 0.22 1.40 0.15 -1.26 -4.66 113.70 116.27 1f04 s SER 64 Ca -0.03 0.71 -0.07 0.00 0.70 0.00 0.00 55.95 57.25 1f04 s SER 64 Cb -0.11 -1.14 0.36 0.00 -1.71 0.00 0.00 66.02 63.42 1f04 s SER 64 CO -0.13 -2.02 1.73 0.74 1.20 0.00 0.00 173.24 174.76 1f04 h THR 65 N -1.14 0.71 -0.42 6.45 2.02 -2.02 0.22 112.91 118.73 1f04 h THR 65 Ca -0.46 -0.14 0.08 0.00 0.77 0.00 0.00 66.41 66.66 1f04 h THR 65 Cb 1.32 0.26 -0.09 0.00 -1.74 0.00 0.00 68.15 67.89 1f04 h THR 65 CO 0.62 0.08 -0.30 -0.78 0.37 0.00 0.00 175.52 175.51 1f04 h ASP 66 N 0.42 -1.01 -0.52 4.18 1.82 -1.99 0.21 116.42 119.52 1f04 h ASP 66 Ca 0.36 0.19 -0.00 0.00 -0.39 0.00 0.00 57.03 57.18 1f04 h ASP 66 Cb 0.49 0.49 -0.03 0.00 0.68 0.00 0.00 39.33 40.97 1f04 h ASP 66 CO -0.36 -0.30 0.32 0.00 -1.61 0.00 0.00 179.24 177.28 1f04 h ALA 67 N 0.87 0.67 -0.08 -0.78 0.00 -1.06 0.29 119.26 119.17 1f04 h ALA 67 Ca 0.19 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.05 1f04 h ALA 67 Cb 0.52 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1f04 h ALA 67 CO -0.55 0.15 0.06 0.00 0.00 0.00 0.00 179.25 178.92 1f04 h ARG 68 N 0.70 0.00 0.00 0.00 2.47 0.45 0.55 114.38 118.55 1f04 h ARG 68 Ca 0.19 0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 58.85 1f04 h ARG 68 Cb -0.01 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.30 1f04 h ARG 68 CO -0.04 0.00 -0.43 0.93 0.56 0.00 0.00 179.97 181.00 1f04 h GLU 69 N 0.00 0.00 -0.56 0.04 4.39 0.12 -3.35 114.58 115.23 1f04 h GLU 69 Ca 0.04 0.00 0.09 0.00 0.34 0.00 0.00 59.36 59.83 1f04 h GLU 69 Cb 0.17 0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 28.71 1f04 h GLU 69 CO -0.00 0.53 -0.40 1.25 -1.16 0.00 0.00 179.01 179.23 1f04 h LEU 70 N -1.00 -1.38 -0.93 1.33 5.85 -0.22 0.30 115.31 119.26 1f04 h LEU 70 Ca -0.09 0.24 0.26 0.00 0.84 0.00 0.00 57.88 59.13 1f04 h LEU 70 Cb 0.72 0.64 -0.17 0.00 0.37 0.00 0.00 40.66 42.21 1f04 h LEU 70 CO -0.05 -0.33 0.03 -1.54 -0.34 0.00 0.00 178.44 176.21 1f04 n SER 71 N -5.42 -0.10 -0.28 1.25 3.41 0.16 -0.03 113.62 112.62 1f04 n SER 71 Ca 0.02 1.58 0.09 0.00 -0.26 0.00 0.00 58.87 60.30 1f04 n SER 71 Cb 0.35 -0.58 0.32 0.00 -0.26 0.00 0.00 64.21 64.04 1f04 n SER 71 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1f04 h LYS 72 N 0.00 0.81 0.00 4.33 1.57 -0.52 0.11 116.57 122.86 1f04 h LYS 72 Ca 0.57 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.30 1f04 h LYS 72 Cb 1.19 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.32 1f04 h LYS 72 CO -0.87 0.53 0.00 1.15 -0.57 0.00 0.00 179.45 179.69 1f04 h THR 73 N 0.83 0.00 -0.03 -0.16 2.02 -0.43 -1.02 112.91 114.12 1f04 h THR 73 Ca 0.43 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.46 1f04 h THR 73 Cb 0.50 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 1f04 h THR 73 CO -0.19 0.00 0.00 0.49 0.37 0.00 0.00 175.52 176.19 1f04 n PHE 74 N -2.35 0.02 -2.23 3.16 3.72 0.32 -4.99 117.46 115.10 1f04 n PHE 74 Ca 0.00 -0.01 -0.42 0.00 -0.05 0.00 0.00 57.45 56.97 1f04 n PHE 74 Cb 0.14 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.65 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 -1.16 3.52 -0.12 4.37 -1.16 -0.39 -1.04 121.20 125.21 1f04 s ILE 75 Ca 0.17 1.07 0.07 0.00 -0.51 0.00 0.00 60.65 61.45 1f04 s ILE 75 Cb 0.12 -3.69 -0.13 0.00 0.61 0.00 0.00 42.46 39.37 1f04 s ILE 75 CO 0.18 0.07 -0.01 2.30 -2.81 0.00 0.00 174.94 174.66 1f04 n ILE 76 N 4.04 0.81 -3.10 2.00 -5.35 -0.49 -4.90 119.36 112.37 1f04 n ILE 76 Ca 0.11 -0.44 0.00 0.00 -0.27 0.00 0.00 62.75 62.15 1f04 n ILE 76 Cb 0.43 -0.79 0.00 0.00 -1.74 0.00 0.00 39.64 37.54 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 2.45 -0.85 3.42 3.28 0.00 -1.22 -4.59 105.19 107.68 1f04 n GLY 77 Ca -0.21 -0.73 -0.21 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.21 1.57 0.11 1.61 2.02 -1.26 -0.24 118.70 122.30 1f04 s GLU 78 Ca 0.00 -1.84 -0.31 0.00 0.02 0.00 0.00 54.97 52.84 1f04 s GLU 78 Cb 0.00 -0.90 -0.08 0.00 0.10 0.00 0.00 34.13 33.25 1f04 s GLU 78 CO 0.00 -0.11 1.38 -1.17 0.02 0.00 0.00 175.26 175.38 1f04 s LEU 79 N -3.44 4.37 0.27 1.80 2.96 0.45 -1.30 118.68 123.79 1f04 s LEU 79 Ca 0.33 2.31 -0.28 0.00 -0.22 0.00 0.00 54.13 56.27 1f04 s LEU 79 Cb 0.07 -3.59 -0.15 0.00 0.50 0.00 0.00 46.19 43.03 1f04 s LEU 79 CO 0.13 -0.64 0.94 1.57 -1.32 0.00 0.00 176.35 177.03 1f04 n HIS 80 N 3.92 1.00 0.19 5.38 -0.00 -0.16 -4.80 115.22 120.75 1f04 n HIS 80 Ca 0.11 0.75 0.04 0.00 -0.00 0.00 0.00 57.72 58.62 1f04 n HIS 80 Cb 0.42 -2.21 0.19 0.00 -0.00 0.00 0.00 29.99 28.40 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 0.80 0.03 0.01 1.57 -0.04 -1.26 -1.69 135.00 134.41 1f04 n PRO 81 Ca 0.11 0.44 0.11 0.00 -0.04 0.00 0.00 63.50 64.11 1f04 n PRO 81 Cb 0.31 -1.57 -0.01 0.00 -0.04 0.00 0.00 33.50 32.18 1f04 n PRO 81 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1f04 n ASP 82 N -1.63 0.68 -0.06 3.54 2.03 -1.26 -4.57 116.55 115.28 1f04 n ASP 82 Ca 0.01 -0.48 -0.22 0.00 0.52 0.00 0.00 54.79 54.62 1f04 n ASP 82 Cb 0.07 0.89 -0.12 0.00 -0.72 0.00 0.00 41.12 41.23 1f04 n ASP 82 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1f04 n ASP 83 N -1.75 1.97 0.00 1.67 -0.08 -0.68 -5.12 116.55 112.56 1f04 n ASP 83 Ca 0.03 0.34 0.00 0.00 -1.51 0.00 0.00 54.79 53.65 1f04 n ASP 83 Cb 0.39 -0.93 0.02 0.00 2.34 0.00 0.00 41.12 42.94 1f04 n ASP 83 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21