#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 4.55 -3.42 0.00 0.24 -1.26 -4.98 118.33 113.46 1f04 n VAL 4 Ca 0.00 -0.49 -0.44 0.00 -2.04 0.00 0.00 64.34 61.37 1f04 n VAL 4 Cb 0.00 -1.38 -0.05 0.00 -1.47 0.00 0.00 33.84 30.94 1f04 n VAL 4 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1f04 s LYS 5 N -3.23 3.10 0.87 7.34 2.20 -1.26 -5.04 119.74 123.72 1f04 s LYS 5 Ca 0.81 -2.16 -0.11 0.00 -0.36 0.00 0.00 55.97 54.15 1f04 s LYS 5 Cb -0.39 -4.21 0.12 0.00 -1.51 0.00 0.00 37.83 31.85 1f04 s LYS 5 CO 0.42 -1.27 1.16 0.71 -0.36 0.00 0.00 175.35 176.01 1f04 s TYR 6 N 0.70 1.76 -0.04 4.03 2.02 -1.26 -4.64 117.35 119.92 1f04 s TYR 6 Ca 0.12 1.74 0.06 0.00 -0.37 0.00 0.00 57.07 58.62 1f04 s TYR 6 Cb -0.19 -3.36 -0.01 0.00 -0.40 0.00 0.00 41.96 38.00 1f04 s TYR 6 CO -0.04 -2.72 -0.22 0.71 -1.57 0.00 0.00 175.55 171.72 1f04 s TYR 7 N -2.53 2.06 0.62 2.71 2.02 -0.90 -4.78 117.35 116.55 1f04 s TYR 7 Ca 0.68 -0.54 -0.15 0.00 -0.37 0.00 0.00 57.07 56.69 1f04 s TYR 7 Cb -0.24 -1.36 -0.02 0.00 -0.40 0.00 0.00 41.96 39.94 1f04 s TYR 7 CO 0.55 -0.15 1.06 0.95 -1.57 0.00 0.00 175.55 176.40 1f04 s THR 8 N -0.20 3.80 0.28 -0.71 -4.23 -1.26 -1.06 115.64 112.25 1f04 s THR 8 Ca -0.00 0.79 0.01 0.00 -1.18 0.00 0.00 61.69 61.31 1f04 s THR 8 Cb -0.11 -3.35 0.26 0.00 1.34 0.00 0.00 72.50 70.63 1f04 s THR 8 CO 0.02 -0.57 1.75 0.25 -0.54 0.00 0.00 174.62 175.53 1f04 h LEU 9 N 0.14 0.52 0.58 4.79 6.46 -1.94 -0.39 115.31 125.47 1f04 h LEU 9 Ca -0.46 0.11 -0.02 0.00 -0.12 0.00 0.00 57.88 57.39 1f04 h LEU 9 Cb 1.22 0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 41.17 1f04 h LEU 9 CO 0.57 0.17 -0.43 -0.08 -0.62 0.00 0.00 178.44 178.05 1f04 h GLU 10 N 0.59 -0.95 -0.52 1.25 4.57 -1.92 0.40 114.58 118.00 1f04 h GLU 10 Ca 0.51 0.06 0.08 0.00 -1.18 0.00 0.00 59.36 58.83 1f04 h GLU 10 Cb 0.80 0.22 -0.06 0.00 -0.16 0.00 0.00 28.75 29.54 1f04 h GLU 10 CO -0.41 -0.63 0.16 0.93 -1.18 0.00 0.00 179.01 177.88 1f04 h GLU 11 N -0.98 0.31 -0.64 1.92 3.07 -1.77 0.10 114.58 116.58 1f04 h GLU 11 Ca -0.07 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 58.77 1f04 h GLU 11 Cb 0.82 -0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 28.63 1f04 h GLU 11 CO 0.02 0.21 0.40 0.82 -1.40 0.00 0.00 179.01 179.06 1f04 h ILE 12 N 0.32 1.18 -0.69 3.13 2.04 -0.92 -2.06 117.51 120.52 1f04 h ILE 12 Ca 0.26 -0.39 0.10 0.00 1.00 0.00 0.00 64.86 65.83 1f04 h ILE 12 Cb 0.31 0.28 -0.04 0.00 -0.74 0.00 0.00 36.82 36.62 1f04 h ILE 12 CO -0.29 0.18 0.46 1.56 0.00 0.00 0.00 178.15 180.07 1f04 h GLN 13 N 0.87 0.52 0.00 2.37 1.08 0.13 -0.12 115.11 119.96 1f04 h GLN 13 Ca 0.23 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.40 1f04 h GLN 13 Cb -0.04 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.27 1f04 h GLN 13 CO -0.05 0.34 0.00 0.87 -0.95 0.00 0.00 178.83 179.05 1f04 h LYS 14 N 0.53 0.00 -3.71 1.46 1.57 -0.11 -3.33 116.57 112.97 1f04 h LYS 14 Ca 0.32 0.00 -0.79 0.00 -1.87 0.00 0.00 60.65 58.31 1f04 h LYS 14 Cb 0.54 0.00 -0.25 0.00 0.08 0.00 0.00 32.23 32.59 1f04 h LYS 14 CO -0.10 0.00 0.74 0.72 -0.57 0.00 0.00 179.45 180.23 1f04 n HIS 15 N -3.05 4.77 -2.73 -1.35 8.25 -0.06 -4.76 115.22 116.29 1f04 n HIS 15 Ca -0.03 -3.60 -0.07 0.00 -0.26 0.00 0.00 57.72 53.75 1f04 n HIS 15 Cb 0.07 -1.76 0.06 0.00 1.12 0.00 0.00 29.99 29.49 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 3.13 -2.56 0.03 0.41 0.23 -0.95 -3.15 115.26 112.40 1f04 n ASN 16 Ca 0.27 -3.09 0.00 0.00 -0.53 0.00 0.00 54.58 51.24 1f04 n ASN 16 Cb 0.39 1.66 0.00 0.00 -2.08 0.00 0.00 39.78 39.75 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 1.46 0.14 0.06 0.53 2.85 -1.23 -5.04 115.26 114.03 1f04 n ASN 17 Ca 0.07 0.10 0.00 0.00 -0.11 0.00 0.00 54.58 54.64 1f04 n ASN 17 Cb 0.65 0.02 0.00 0.00 1.24 0.00 0.00 39.78 41.69 1f04 n ASN 17 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1f04 n SER 18 N -2.81 -0.41 -0.05 1.20 2.88 -1.26 -5.01 113.62 108.16 1f04 n SER 18 Ca 0.00 0.23 -0.03 0.00 -1.33 0.00 0.00 58.87 57.74 1f04 n SER 18 Cb 0.00 0.52 -0.01 0.00 -0.75 0.00 0.00 64.21 63.97 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 -2.88 0.31 -1.48 -1.46 4.01 -1.26 -4.85 118.16 110.55 1f04 n LYS 19 Ca 0.00 0.43 -0.46 0.00 -0.51 0.00 0.00 58.31 57.76 1f04 n LYS 19 Cb 0.00 -1.38 -0.07 0.00 -0.51 0.00 0.00 35.03 33.07 1f04 n LYS 19 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 1f04 n SER 20 N -3.86 2.08 -3.48 4.39 2.88 -1.26 -4.48 113.62 109.89 1f04 n SER 20 Ca -0.05 0.21 -0.29 0.00 -1.33 0.00 0.00 58.87 57.41 1f04 n SER 20 Cb 0.19 -1.31 -0.12 0.00 -0.75 0.00 0.00 64.21 62.22 1f04 n SER 20 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1f04 s THR 21 N 8.42 0.24 0.45 2.46 2.01 -1.25 -2.25 115.64 125.72 1f04 s THR 21 Ca 1.10 -1.75 0.07 0.00 0.31 0.00 0.00 61.69 61.41 1f04 s THR 21 Cb -0.73 -1.18 -0.01 0.00 0.01 0.00 0.00 72.50 70.58 1f04 s THR 21 CO 0.44 -0.98 0.32 0.26 -0.69 0.00 0.00 174.62 173.97 1f04 s TRP 22 N 1.04 2.38 -0.08 4.92 0.52 -1.19 -2.30 118.94 124.23 1f04 s TRP 22 Ca 0.18 -0.62 -0.32 0.00 0.02 0.00 0.00 56.10 55.36 1f04 s TRP 22 Cb -0.23 -2.04 0.14 0.00 -1.15 0.00 0.00 33.47 30.19 1f04 s TRP 22 CO 0.00 -0.12 1.41 -0.48 0.02 0.00 0.00 176.95 177.78 1f04 s LEU 23 N -4.10 -0.01 -0.14 2.99 0.05 -1.25 -0.25 118.68 115.97 1f04 s LEU 23 Ca 0.42 -0.03 0.01 0.00 0.05 0.00 0.00 54.13 54.57 1f04 s LEU 23 Cb -0.01 1.08 0.02 0.00 -2.05 0.00 0.00 46.19 45.24 1f04 s LEU 23 CO 0.24 -0.07 -0.16 -0.63 -0.55 0.00 0.00 176.35 175.19 1f04 s ILE 24 N -2.08 1.65 -0.37 1.48 1.01 -1.26 -2.82 121.20 118.81 1f04 s ILE 24 Ca 0.18 -0.69 0.04 0.00 0.00 0.00 0.00 60.65 60.17 1f04 s ILE 24 Cb 0.06 -1.53 0.11 0.00 0.01 0.00 0.00 42.46 41.11 1f04 s ILE 24 CO -0.06 0.47 0.10 -0.76 0.00 0.00 0.00 174.94 174.69 1f04 s LEU 25 N 1.34 4.45 -1.00 2.97 1.02 0.05 -2.57 118.68 124.93 1f04 s LEU 25 Ca 0.02 -2.30 -0.04 0.00 0.02 0.00 0.00 54.13 51.84 1f04 s LEU 25 Cb -0.13 -1.56 -0.04 0.00 0.02 0.00 0.00 46.19 44.47 1f04 s LEU 25 CO -0.09 -0.35 0.86 1.41 0.02 0.00 0.00 176.35 178.20 1f04 n HIS 26 N 4.06 -2.15 -1.77 0.29 8.25 -1.26 -3.06 115.22 119.58 1f04 n HIS 26 Ca 0.04 0.80 -0.18 0.00 -0.26 0.00 0.00 57.72 58.12 1f04 n HIS 26 Cb 0.40 -4.25 -0.06 0.00 1.12 0.00 0.00 29.99 27.20 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 -3.32 -0.25 -4.35 4.41 4.01 -1.26 -4.97 117.16 111.43 1f04 n TYR 27 Ca -0.13 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.39 1f04 n TYR 27 Cb 0.62 -3.21 -0.16 0.00 -0.31 0.00 0.00 39.34 36.28 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 -3.93 1.16 -0.10 -0.72 1.02 -1.17 -0.67 119.74 115.33 1f04 s LYS 28 Ca 0.00 -0.24 -0.15 0.00 0.02 0.00 0.00 55.97 55.60 1f04 s LYS 28 Cb 0.00 -1.05 -0.05 0.00 -0.52 0.00 0.00 37.83 36.22 1f04 s LYS 28 CO 0.00 -0.02 0.38 0.08 -0.92 0.00 0.00 175.35 174.87 1f04 s VAL 29 N 0.74 5.19 -0.17 3.17 1.01 -1.21 -0.77 120.40 128.36 1f04 s VAL 29 Ca -0.12 0.74 -0.00 0.00 0.00 0.00 0.00 61.98 62.60 1f04 s VAL 29 Cb -0.14 -3.70 0.04 0.00 0.00 0.00 0.00 36.38 32.58 1f04 s VAL 29 CO 0.02 0.44 -0.07 -0.31 0.00 0.00 0.00 175.10 175.18 1f04 s TYR 30 N -0.03 1.91 -0.23 5.22 2.02 -1.13 -1.74 117.35 123.37 1f04 s TYR 30 Ca 0.21 -1.23 -0.29 0.00 -0.37 0.00 0.00 57.07 55.39 1f04 s TYR 30 Cb -0.15 -1.41 0.01 0.00 -0.40 0.00 0.00 41.96 40.01 1f04 s TYR 30 CO 0.09 -0.65 1.03 0.34 -1.57 0.00 0.00 175.55 174.78 1f04 s ASP 31 N 1.56 7.08 -0.11 2.29 2.15 -1.19 -3.78 116.67 124.67 1f04 s ASP 31 Ca 0.00 1.35 0.16 0.00 0.43 0.00 0.00 52.55 54.48 1f04 s ASP 31 Cb -0.15 -2.53 0.24 0.00 -0.30 0.00 0.00 42.92 40.17 1f04 s ASP 31 CO -0.08 -0.67 1.12 0.18 -0.17 0.00 0.00 175.17 175.55 1f04 n LEU 32 N 6.32 2.13 -0.23 -1.34 4.77 -0.97 -4.80 117.00 122.88 1f04 n LEU 32 Ca 0.12 -2.81 0.01 0.00 -0.03 0.00 0.00 56.01 53.29 1f04 n LEU 32 Cb 0.46 -0.36 0.13 0.00 -2.33 0.00 0.00 43.42 41.32 1f04 n LEU 32 CO 0.52 0.65 1.03 0.74 -1.33 0.00 0.00 177.39 179.00 1f04 h THR 33 N 0.52 0.81 -0.83 -5.08 2.02 -1.77 0.21 112.91 108.78 1f04 h THR 33 Ca 0.00 -0.17 -0.55 0.00 0.77 0.00 0.00 66.41 66.45 1f04 h THR 33 Cb 0.98 0.25 -0.24 0.00 -1.74 0.00 0.00 68.15 67.40 1f04 h THR 33 CO 0.00 0.09 0.71 0.29 0.37 0.00 0.00 175.52 176.99 1f04 n LYS 34 N -4.93 2.37 0.00 6.66 5.02 -1.26 -3.82 118.16 122.20 1f04 n LYS 34 Ca 0.10 -2.72 0.00 0.00 -2.02 0.00 0.00 58.31 53.67 1f04 n LYS 34 Cb 0.28 -2.07 0.00 0.00 -0.02 0.00 0.00 35.03 33.22 1f04 n LYS 34 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1f04 n PHE 35 N -0.56 0.00 0.32 2.13 7.35 0.72 -4.89 117.46 122.53 1f04 n PHE 35 Ca 0.52 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 57.08 1f04 n PHE 35 Cb 0.73 0.00 -0.06 0.00 0.35 0.00 0.00 39.48 40.50 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 -0.71 -1.53 -2.13 3.38 -1.59 0.25 115.31 112.99 1f04 h LEU 36 Ca 0.00 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 1f04 h LEU 36 Cb 0.93 0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 1f04 h LEU 36 CO 0.00 -0.40 -0.24 -0.08 0.09 0.00 0.00 178.44 177.81 1f04 h GLU 37 N -1.05 0.00 -0.20 1.13 4.81 -1.91 -2.87 114.58 114.49 1f04 h GLU 37 Ca -0.09 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.00 1f04 h GLU 37 Cb 0.64 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.02 1f04 h GLU 37 CO 0.14 0.24 -0.46 0.93 -0.73 0.00 0.00 179.01 179.13 1f04 h GLU 38 N 0.00 0.66 -6.40 1.92 5.08 -1.88 -3.46 114.58 110.50 1f04 h GLU 38 Ca -0.00 -0.45 -0.54 0.00 -1.00 0.00 0.00 59.36 57.37 1f04 h GLU 38 Cb 0.51 0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.83 1f04 h GLU 38 CO 0.03 1.06 0.92 -1.58 -1.00 0.00 0.00 179.01 178.45 1f04 s HIS 39 N -3.99 2.62 0.41 4.33 2.46 0.88 -4.91 115.29 117.10 1f04 s HIS 39 Ca -0.12 0.57 0.14 0.00 0.47 0.00 0.00 55.06 56.11 1f04 s HIS 39 Cb 0.08 -3.81 0.89 0.00 -0.13 0.00 0.00 32.58 29.61 1f04 s HIS 39 CO 0.84 -3.15 1.92 -1.00 -2.47 0.00 0.00 174.74 170.89 1f04 h PRO 40 N 8.13 0.00 -0.35 2.88 0.13 -1.87 -1.46 132.00 139.45 1f04 h PRO 40 Ca -0.40 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 64.83 1f04 h PRO 40 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1f04 h PRO 40 CO 0.92 0.26 0.58 0.78 -0.23 0.00 0.00 178.00 180.31 1f04 h GLY 41 N 0.79 0.00 -0.16 1.56 0.00 -1.93 -3.47 103.07 99.86 1f04 h GLY 41 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1f04 h GLY 41 CO 0.03 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.18 1f04 n GLY 42 N -1.45 -0.22 3.54 4.60 0.00 -0.55 -4.77 105.19 106.34 1f04 n GLY 42 Ca 0.06 -1.16 -0.26 0.00 0.00 0.00 0.00 46.02 44.67 1f04 n GLY 42 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1f04 n GLU 43 N 1.85 0.53 0.00 1.61 0.28 -1.23 -3.32 120.64 120.36 1f04 n GLU 43 Ca 0.00 -0.31 0.00 0.00 -0.16 0.00 0.00 57.16 56.69 1f04 n GLU 43 Cb 0.00 -2.83 0.00 0.00 1.43 0.00 0.00 31.44 30.04 1f04 n GLU 43 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1f04 n ALA 44 N 14.37 0.00 -0.36 -1.84 0.00 -1.26 -4.91 120.51 126.51 1f04 n ALA 44 Ca 0.50 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.92 1f04 n ALA 44 Cb 0.36 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.91 1f04 n ALA 44 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1f04 h VAL 45 N 0.00 1.25 -0.18 0.00 3.04 -1.85 0.18 116.25 118.68 1f04 h VAL 45 Ca 0.00 -0.47 -0.02 0.00 -1.01 0.00 0.00 66.70 65.19 1f04 h VAL 45 Cb 0.00 -0.14 -0.01 0.00 -2.01 0.00 0.00 31.29 29.13 1f04 h VAL 45 CO 0.00 0.25 0.02 -0.07 -1.01 0.00 0.00 177.57 176.76 1f04 h LEU 46 N 1.30 0.29 -0.93 3.16 -0.00 -1.93 -1.00 115.31 116.21 1f04 h LEU 46 Ca 0.35 -0.27 -0.11 0.00 -0.00 0.00 0.00 57.88 57.85 1f04 h LEU 46 Cb -0.13 -0.08 -0.01 0.00 -0.00 0.00 0.00 40.66 40.44 1f04 h LEU 46 CO -0.07 0.49 -0.45 0.08 -0.00 0.00 0.00 178.44 178.49 1f04 h ARG 47 N 0.08 0.18 -0.02 1.13 0.11 -1.80 -0.59 114.38 113.47 1f04 h ARG 47 Ca 0.05 -0.09 -0.04 0.00 0.10 0.00 0.00 59.98 60.01 1f04 h ARG 47 Cb 0.33 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.41 1f04 h ARG 47 CO 0.00 0.60 -0.13 0.00 0.10 0.00 0.00 179.97 180.54 1f04 h ALA 48 N 1.39 0.04 0.00 0.08 0.00 -0.53 -3.14 119.26 117.10 1f04 h ALA 48 Ca 0.01 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1f04 h ALA 48 Cb 0.86 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1f04 h ALA 48 CO 0.07 -0.02 0.00 1.04 0.00 0.00 0.00 179.25 180.34 1f04 n GLN 49 N -4.62 0.08 -1.58 0.00 1.13 -0.39 -4.83 117.38 107.17 1f04 n GLN 49 Ca -0.09 0.26 -0.42 0.00 -1.94 0.00 0.00 57.00 54.81 1f04 n GLN 49 Cb 0.42 -1.64 0.01 0.00 0.11 0.00 0.00 30.24 29.14 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 -1.61 -0.17 0.00 -1.58 0.00 -0.24 -3.56 120.51 113.36 1f04 n ALA 50 Ca 0.04 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1f04 n ALA 50 Cb 0.24 -2.02 0.00 0.00 0.00 0.00 0.00 19.45 17.67 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 1.30 1.15 0.00 0.00 0.00 0.65 -4.80 105.19 103.49 1f04 n GLY 51 Ca 0.10 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 0.98 3.61 -0.02 0.00 -1.23 -2.58 105.19 105.95 1f04 n GLY 52 Ca 0.00 -2.09 -0.21 0.00 0.00 0.00 0.00 46.02 43.72 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 -2.23 -0.10 1.61 -0.08 -1.26 -4.74 116.55 109.76 1f04 n ASP 53 Ca 0.00 -0.80 0.01 0.00 -1.51 0.00 0.00 54.79 52.50 1f04 n ASP 53 Cb 0.00 -4.27 0.01 0.00 2.34 0.00 0.00 41.12 39.20 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 -4.14 2.49 -0.16 -1.67 0.00 -1.17 -4.76 120.51 111.11 1f04 n ALA 54 Ca -0.26 -0.52 -0.07 0.00 0.00 0.00 0.00 53.44 52.60 1f04 n ALA 54 Cb 0.66 -0.08 -0.01 0.00 0.00 0.00 0.00 19.45 20.02 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 0.49 0.18 -0.98 0.00 2.02 -1.85 0.20 112.91 112.97 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 0.10 0.18 -0.05 0.00 -1.74 0.00 0.00 68.15 66.64 1f04 h THR 55 CO 0.00 0.00 0.65 0.00 0.37 0.00 0.00 175.52 176.54 1f04 h ALA 56 N 0.79 1.32 0.10 6.16 0.00 -1.91 -0.27 119.26 125.46 1f04 h ALA 56 Ca 0.19 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1f04 h ALA 56 Cb 0.55 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1f04 h ALA 56 CO -0.61 0.61 -0.05 -0.97 0.00 0.00 0.00 179.25 178.24 1f04 h ASN 57 N 1.30 -0.11 -0.18 0.00 -1.24 -1.45 0.29 115.58 114.19 1f04 h ASN 57 Ca 0.37 -0.28 0.05 0.00 0.71 0.00 0.00 56.30 57.15 1f04 h ASN 57 Cb -0.09 0.03 -0.05 0.00 0.73 0.00 0.00 38.32 38.93 1f04 h ASN 57 CO -0.09 0.23 -0.13 0.15 -1.29 0.00 0.00 177.43 176.29 1f04 h PHE 58 N -0.46 -0.33 -0.57 0.67 3.57 -0.47 -2.16 116.94 117.20 1f04 h PHE 58 Ca -0.01 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.43 1f04 h PHE 58 Cb 0.38 0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.27 1f04 h PHE 58 CO 0.03 -0.20 0.03 0.93 -2.23 0.00 0.00 178.31 176.87 1f04 h GLU 59 N -0.14 0.97 -1.00 1.11 4.39 -1.02 -2.55 114.58 116.35 1f04 h GLU 59 Ca 0.11 -0.28 0.08 0.00 0.34 0.00 0.00 59.36 59.62 1f04 h GLU 59 Cb 0.30 -0.10 -0.07 0.00 -0.10 0.00 0.00 28.75 28.77 1f04 h GLU 59 CO -0.26 0.94 0.64 0.00 -1.16 0.00 0.00 179.01 179.16 1f04 h ALA 60 N 1.12 1.43 -0.29 3.43 0.00 -0.00 0.23 119.26 125.17 1f04 h ALA 60 Ca 0.17 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 1f04 h ALA 60 Cb 0.49 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1f04 h ALA 60 CO 0.02 0.36 -0.10 0.28 0.00 0.00 0.00 179.25 179.82 1f04 h VAL 61 N 1.11 1.22 0.00 0.00 2.07 -1.13 -3.48 116.25 116.04 1f04 h VAL 61 Ca 0.45 -0.95 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1f04 h VAL 61 Cb 0.28 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1f04 h VAL 61 CO -0.21 0.31 0.00 0.61 0.02 0.00 0.00 177.57 178.31 1f04 n GLY 62 N -0.71 2.22 1.24 2.17 0.00 0.79 -4.99 105.19 105.92 1f04 n GLY 62 Ca 0.01 -0.57 0.10 0.00 0.00 0.00 0.00 46.02 45.56 1f04 n GLY 62 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1f04 n HIS 63 N 0.00 -3.37 -3.26 1.61 8.25 -1.26 -4.77 115.22 112.42 1f04 n HIS 63 Ca 0.00 1.85 -0.22 0.00 -0.26 0.00 0.00 57.72 59.09 1f04 n HIS 63 Cb 0.00 -3.01 0.05 0.00 1.12 0.00 0.00 29.99 28.15 1f04 n HIS 63 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1f04 s SER 64 N -6.19 4.94 0.18 0.41 0.15 -1.26 -4.94 113.70 106.98 1f04 s SER 64 Ca 0.00 -0.99 -0.14 0.00 0.70 0.00 0.00 55.95 55.53 1f04 s SER 64 Cb 0.00 0.41 0.12 0.00 -1.71 0.00 0.00 66.02 64.84 1f04 s SER 64 CO 0.00 -1.33 1.78 0.74 1.20 0.00 0.00 173.24 175.63 1f04 h THR 65 N 0.29 0.93 -0.41 6.45 2.02 -1.98 0.33 112.91 120.55 1f04 h THR 65 Ca -0.31 -0.15 0.08 0.00 0.77 0.00 0.00 66.41 66.80 1f04 h THR 65 Cb 1.29 0.45 -0.08 0.00 -1.74 0.00 0.00 68.15 68.07 1f04 h THR 65 CO 0.45 0.08 -0.14 -0.78 0.37 0.00 0.00 175.52 175.50 1f04 h ASP 66 N 0.44 -0.49 0.09 4.18 1.82 -1.99 0.16 116.42 120.64 1f04 h ASP 66 Ca 0.21 0.14 0.00 0.00 -0.39 0.00 0.00 57.03 56.99 1f04 h ASP 66 Cb 0.14 0.30 -0.01 0.00 0.68 0.00 0.00 39.33 40.44 1f04 h ASP 66 CO -0.16 -0.17 -0.08 0.00 -1.61 0.00 0.00 179.24 177.21 1f04 h ALA 67 N 1.32 -0.16 -0.87 -0.78 0.00 -1.78 0.27 119.26 117.26 1f04 h ALA 67 Ca 0.20 -0.02 0.16 0.00 0.00 0.00 0.00 54.91 55.25 1f04 h ALA 67 Cb 0.35 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.20 1f04 h ALA 67 CO -0.45 -0.60 0.56 0.00 0.00 0.00 0.00 179.25 178.76 1f04 h ARG 68 N -0.19 0.53 0.10 0.00 3.08 0.33 0.13 114.38 118.37 1f04 h ARG 68 Ca 0.00 -0.03 -0.18 0.00 0.07 0.00 0.00 59.98 59.85 1f04 h ARG 68 Cb 0.18 -0.12 0.02 0.00 0.08 0.00 0.00 29.97 30.13 1f04 h ARG 68 CO -0.02 0.35 -0.75 0.93 -1.07 0.00 0.00 179.97 179.41 1f04 h GLU 69 N 0.55 0.33 0.21 0.04 4.39 -0.23 -3.22 114.58 116.65 1f04 h GLU 69 Ca 0.44 -0.49 0.01 0.00 0.34 0.00 0.00 59.36 59.66 1f04 h GLU 69 Cb 0.88 0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 29.68 1f04 h GLU 69 CO -0.18 1.20 -0.31 1.25 -1.16 0.00 0.00 179.01 179.81 1f04 h LEU 70 N -0.29 -0.85 -0.82 1.33 5.85 0.44 -1.78 115.31 119.19 1f04 h LEU 70 Ca -0.12 0.09 0.11 0.00 0.84 0.00 0.00 57.88 58.80 1f04 h LEU 70 Cb 1.54 0.31 -0.12 0.00 0.37 0.00 0.00 40.66 42.76 1f04 h LEU 70 CO 0.14 -0.41 -0.36 -1.20 -0.34 0.00 0.00 178.44 176.27 1f04 n SER 71 N -5.41 -0.61 -0.27 1.25 7.64 0.37 0.41 113.62 116.99 1f04 n SER 71 Ca -0.08 1.44 0.04 0.00 1.01 0.00 0.00 58.87 61.27 1f04 n SER 71 Cb 0.32 -0.29 0.17 0.00 -1.01 0.00 0.00 64.21 63.40 1f04 n SER 71 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1f04 h LYS 72 N 0.00 0.60 -0.21 1.43 1.79 -1.34 0.37 116.57 119.21 1f04 h LYS 72 Ca 0.25 -0.04 0.04 0.00 -2.18 0.00 0.00 60.65 58.72 1f04 h LYS 72 Cb 0.45 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 30.96 1f04 h LYS 72 CO -0.80 0.40 0.14 1.15 -1.08 0.00 0.00 179.45 179.26 1f04 h THR 73 N 0.62 0.95 -0.01 -0.16 2.02 0.36 -1.16 112.91 115.52 1f04 h THR 73 Ca 0.40 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.54 1f04 h THR 73 Cb 0.47 0.85 0.00 0.00 -1.74 0.00 0.00 68.15 67.73 1f04 h THR 73 CO -0.31 0.02 -0.15 0.49 0.37 0.00 0.00 175.52 175.94 1f04 n PHE 74 N -4.49 0.00 -1.70 3.16 3.72 0.10 -4.94 117.46 113.31 1f04 n PHE 74 Ca 0.01 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.99 1f04 n PHE 74 Cb 0.22 -0.07 -0.03 0.00 -0.94 0.00 0.00 39.48 38.66 1f04 n PHE 74 CO 0.00 0.00 0.00 1.51 -0.05 0.00 0.00 176.76 178.22 1f04 n ILE 75 N -0.24 0.16 0.40 4.37 3.06 0.42 -3.19 119.36 124.35 1f04 n ILE 75 Ca 0.15 -0.03 0.10 0.00 -2.50 0.00 0.00 62.75 60.47 1f04 n ILE 75 Cb 0.36 -2.01 -0.14 0.00 0.54 0.00 0.00 39.64 38.40 1f04 n ILE 75 CO 0.00 0.00 0.00 2.30 -2.50 0.00 0.00 176.55 176.35 1f04 n ILE 76 N 4.26 0.00 0.00 9.51 -5.35 -0.71 -4.94 119.36 122.13 1f04 n ILE 76 Ca 0.17 -0.28 0.00 0.00 -0.27 0.00 0.00 62.75 62.37 1f04 n ILE 76 Cb 0.35 0.45 0.00 0.00 -1.74 0.00 0.00 39.64 38.70 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 1.39 -0.63 3.23 3.28 0.00 -1.24 -4.83 105.19 106.39 1f04 n GLY 77 Ca -0.01 -0.34 -0.13 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 -1.49 1.21 0.28 1.61 2.02 -1.26 -3.32 118.70 117.75 1f04 s GLU 78 Ca 0.00 -1.63 -0.29 0.00 0.02 0.00 0.00 54.97 53.06 1f04 s GLU 78 Cb 0.00 0.07 -0.10 0.00 0.10 0.00 0.00 34.13 34.20 1f04 s GLU 78 CO 0.00 -0.32 1.40 -1.17 0.02 0.00 0.00 175.26 175.19 1f04 s LEU 79 N -3.19 4.39 0.29 1.80 2.96 0.15 -2.12 118.68 122.97 1f04 s LEU 79 Ca 0.35 2.69 -0.29 0.00 -0.22 0.00 0.00 54.13 56.67 1f04 s LEU 79 Cb 0.07 -3.63 -0.14 0.00 0.50 0.00 0.00 46.19 42.99 1f04 s LEU 79 CO 0.10 -0.66 1.15 1.57 -1.32 0.00 0.00 176.35 177.19 1f04 n HIS 80 N 1.74 1.67 0.82 5.38 -0.00 -0.23 -4.74 115.22 119.87 1f04 n HIS 80 Ca 0.04 0.63 0.07 0.00 -0.00 0.00 0.00 57.72 58.46 1f04 n HIS 80 Cb 0.41 -2.32 0.40 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 0.89 0.37 -0.11 1.57 -0.04 -1.26 -1.74 135.00 134.68 1f04 n PRO 81 Ca 0.09 0.05 0.07 0.00 -0.04 0.00 0.00 63.50 63.67 1f04 n PRO 81 Cb 0.33 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.41 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 -1.08 2.71 -0.10 3.54 2.03 -1.26 -4.57 116.55 117.82 1f04 n ASP 82 Ca 0.09 -1.80 -0.18 0.00 0.52 0.00 0.00 54.79 53.43 1f04 n ASP 82 Cb 0.07 -0.15 -0.10 0.00 -0.72 0.00 0.00 41.12 40.22 1f04 n ASP 82 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 1f04 h ASP 83 N 2.80 0.00 0.00 1.67 1.82 -1.70 -3.50 116.42 117.51 1f04 h ASP 83 Ca 0.00 -0.43 0.00 0.00 -0.39 0.00 0.00 57.03 56.21 1f04 h ASP 83 Cb 0.71 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.72 1f04 h ASP 83 CO 0.00 1.32 0.00 -2.11 -1.61 0.00 0.00 179.24 176.84