#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 4.18 -0.19 0.00 1.01 -1.26 -4.81 120.40 119.33 1f04 s VAL 4 Ca 0.00 -0.29 -0.07 0.00 0.00 0.00 0.00 61.98 61.62 1f04 s VAL 4 Cb 0.00 -2.77 0.09 0.00 0.00 0.00 0.00 36.38 33.69 1f04 s VAL 4 CO 0.00 0.57 0.41 -0.75 0.00 0.00 0.00 175.10 175.33 1f04 s LYS 5 N -0.56 0.32 0.60 2.72 2.20 -1.25 -5.06 119.74 118.70 1f04 s LYS 5 Ca 0.09 0.99 -0.15 0.00 -0.36 0.00 0.00 55.97 56.55 1f04 s LYS 5 Cb -0.12 0.27 -0.04 0.00 -1.51 0.00 0.00 37.83 36.44 1f04 s LYS 5 CO 0.02 -0.24 1.04 0.71 -0.36 0.00 0.00 175.35 176.52 1f04 s TYR 6 N 2.46 3.13 -0.01 4.03 2.02 -1.26 -3.89 117.35 123.82 1f04 s TYR 6 Ca -0.02 1.48 0.03 0.00 -0.37 0.00 0.00 57.07 58.18 1f04 s TYR 6 Cb -0.12 -2.93 -0.01 0.00 -0.40 0.00 0.00 41.96 38.51 1f04 s TYR 6 CO -0.13 -0.97 -0.08 0.71 -1.57 0.00 0.00 175.55 173.51 1f04 s TYR 7 N -2.61 0.77 0.66 2.71 2.02 -0.38 -4.81 117.35 115.71 1f04 s TYR 7 Ca 0.61 -0.15 -0.14 0.00 -0.37 0.00 0.00 57.07 57.02 1f04 s TYR 7 Cb -0.14 -0.51 -0.00 0.00 -0.40 0.00 0.00 41.96 40.91 1f04 s TYR 7 CO 0.39 -0.02 1.08 0.95 -1.57 0.00 0.00 175.55 176.38 1f04 s THR 8 N -0.15 3.57 0.34 -0.71 -4.23 -1.26 -0.95 115.64 112.25 1f04 s THR 8 Ca 0.03 0.67 0.10 0.00 -1.18 0.00 0.00 61.69 61.31 1f04 s THR 8 Cb -0.04 -3.22 0.33 0.00 1.34 0.00 0.00 72.50 70.91 1f04 s THR 8 CO -0.00 -0.51 1.81 0.25 -0.54 0.00 0.00 174.62 175.62 1f04 h LEU 9 N -0.08 0.66 1.00 4.79 6.46 -1.98 -0.60 115.31 125.56 1f04 h LEU 9 Ca -0.46 0.08 -0.05 0.00 -0.12 0.00 0.00 57.88 57.33 1f04 h LEU 9 Cb 1.23 -0.04 0.01 0.00 -0.73 0.00 0.00 40.66 41.12 1f04 h LEU 9 CO 0.55 0.25 -0.48 -0.08 -0.62 0.00 0.00 178.44 178.06 1f04 h GLU 10 N 0.65 -1.29 -0.62 1.25 4.57 -1.98 0.37 114.58 117.54 1f04 h GLU 10 Ca 0.54 0.09 0.12 0.00 -1.18 0.00 0.00 59.36 58.93 1f04 h GLU 10 Cb 0.99 0.29 -0.09 0.00 -0.16 0.00 0.00 28.75 29.78 1f04 h GLU 10 CO -0.30 -0.86 0.14 0.93 -1.18 0.00 0.00 179.01 177.73 1f04 h GLU 11 N -1.35 0.26 -0.12 1.92 3.07 -1.79 0.45 114.58 117.01 1f04 h GLU 11 Ca -0.14 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 58.71 1f04 h GLU 11 Cb 1.03 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.87 1f04 h GLU 11 CO 0.22 0.17 0.06 0.82 -1.40 0.00 0.00 179.01 178.89 1f04 h ILE 12 N 0.26 1.08 -0.82 3.13 2.04 -1.06 -2.83 117.51 119.32 1f04 h ILE 12 Ca 0.33 -0.23 0.17 0.00 1.00 0.00 0.00 64.86 66.13 1f04 h ILE 12 Cb 0.50 1.03 -0.11 0.00 -0.74 0.00 0.00 36.82 37.50 1f04 h ILE 12 CO -0.42 0.08 0.34 1.56 0.00 0.00 0.00 178.15 179.71 1f04 h GLN 13 N 0.10 0.42 -0.43 2.37 1.08 0.13 0.34 115.11 119.11 1f04 h GLN 13 Ca 0.04 -0.03 0.12 0.00 -1.45 0.00 0.00 58.65 57.34 1f04 h GLN 13 Cb 0.07 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.38 1f04 h GLN 13 CO -0.01 0.28 0.43 0.87 -0.95 0.00 0.00 178.83 179.46 1f04 h LYS 14 N 0.43 0.00 -3.05 1.46 1.57 -0.71 -2.80 116.57 113.46 1f04 h LYS 14 Ca 0.48 0.00 -0.77 0.00 -1.87 0.00 0.00 60.65 58.49 1f04 h LYS 14 Cb 0.81 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 32.93 1f04 h LYS 14 CO -0.46 0.00 1.77 0.72 -0.57 0.00 0.00 179.45 180.90 1f04 n HIS 15 N -3.80 2.67 -1.93 -1.35 8.25 0.11 -4.58 115.22 114.59 1f04 n HIS 15 Ca 0.08 -2.72 0.04 0.00 -0.26 0.00 0.00 57.72 54.86 1f04 n HIS 15 Cb 0.62 -1.70 0.14 0.00 1.12 0.00 0.00 29.99 30.17 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 2.45 1.58 -3.55 0.41 0.23 -1.06 -2.19 115.26 113.13 1f04 n ASN 16 Ca 0.43 -3.25 -0.07 0.00 -0.53 0.00 0.00 54.58 51.16 1f04 n ASN 16 Cb 0.32 -0.45 -0.02 0.00 -2.08 0.00 0.00 39.78 37.55 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 -2.86 -0.27 0.86 0.53 2.47 -0.43 -4.93 114.94 110.30 1f04 s ASN 17 Ca 0.37 -0.02 0.00 0.00 0.42 0.00 0.00 52.86 53.63 1f04 s ASN 17 Cb 0.38 0.30 0.00 0.00 -1.45 0.00 0.00 41.25 40.47 1f04 s ASN 17 CO -0.10 -0.49 0.00 -0.24 -3.72 0.00 0.00 177.10 172.56 1f04 n SER 18 N -0.20 0.00 -0.30 -4.21 2.88 -1.26 -1.82 113.62 108.70 1f04 n SER 18 Ca -0.05 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.44 1f04 n SER 18 Cb 0.60 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 64.15 1f04 n SER 18 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1f04 h LYS 19 N 0.00 1.21 -5.92 -1.46 1.63 -2.00 -3.44 116.57 106.59 1f04 h LYS 19 Ca 0.00 -0.18 -0.60 0.00 -0.85 0.00 0.00 60.65 59.01 1f04 h LYS 19 Cb 0.00 -0.21 -0.01 0.00 -0.60 0.00 0.00 32.23 31.41 1f04 h LYS 19 CO 0.00 0.94 1.49 0.43 -3.45 0.00 0.00 179.45 178.86 1f04 n SER 20 N -4.30 2.66 -3.32 4.20 7.64 -0.76 -4.42 113.62 115.32 1f04 n SER 20 Ca 0.08 0.20 -0.23 0.00 1.01 0.00 0.00 58.87 59.93 1f04 n SER 20 Cb 0.15 -1.44 -0.09 0.00 -1.01 0.00 0.00 64.21 61.83 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 8.43 -0.01 0.56 0.44 2.01 -1.24 -1.32 115.64 124.51 1f04 s THR 21 Ca 1.05 -1.92 0.09 0.00 0.31 0.00 0.00 61.69 61.22 1f04 s THR 21 Cb -0.53 -0.95 0.07 0.00 0.01 0.00 0.00 72.50 71.10 1f04 s THR 21 CO 0.40 -0.91 0.73 0.26 -0.69 0.00 0.00 174.62 174.41 1f04 s TRP 22 N 0.64 1.56 0.00 4.92 0.52 -0.93 -2.68 118.94 122.98 1f04 s TRP 22 Ca 0.26 -0.70 0.00 0.00 0.02 0.00 0.00 56.10 55.68 1f04 s TRP 22 Cb -0.06 -2.20 0.00 0.00 -1.15 0.00 0.00 33.47 30.06 1f04 s TRP 22 CO -0.10 -1.02 0.00 1.47 0.02 0.00 0.00 176.95 177.32 1f04 n LEU 23 N -2.16 0.00 -4.15 2.99 -0.00 -1.25 -0.04 117.00 112.39 1f04 n LEU 23 Ca 0.13 0.00 -0.33 0.00 -0.00 0.00 0.00 56.01 55.81 1f04 n LEU 23 Cb 0.62 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 43.88 1f04 n LEU 23 CO 0.40 0.00 -0.49 -0.63 -0.00 0.00 0.00 177.39 176.67 1f04 s ILE 24 N -2.00 2.36 -0.36 1.47 1.01 -0.69 -3.01 121.20 119.97 1f04 s ILE 24 Ca 0.00 -0.96 0.04 0.00 0.00 0.00 0.00 60.65 59.73 1f04 s ILE 24 Cb 0.00 -2.07 0.10 0.00 0.01 0.00 0.00 42.46 40.50 1f04 s ILE 24 CO 0.00 0.42 0.08 -0.76 0.00 0.00 0.00 174.94 174.68 1f04 s LEU 25 N 1.30 4.52 -0.90 2.97 1.02 -0.24 -1.49 118.68 125.87 1f04 s LEU 25 Ca 0.03 -2.23 -0.02 0.00 0.02 0.00 0.00 54.13 51.94 1f04 s LEU 25 Cb -0.14 -1.57 -0.02 0.00 0.02 0.00 0.00 46.19 44.48 1f04 s LEU 25 CO -0.10 -0.36 0.76 1.41 0.02 0.00 0.00 176.35 178.08 1f04 n HIS 26 N 4.15 -1.79 -1.61 0.29 8.25 -1.26 -2.99 115.22 120.26 1f04 n HIS 26 Ca 0.04 0.72 -0.20 0.00 -0.26 0.00 0.00 57.72 58.02 1f04 n HIS 26 Cb 0.41 -4.21 -0.08 0.00 1.12 0.00 0.00 29.99 27.23 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 -3.26 -0.05 -4.78 4.41 4.01 -1.26 -4.96 117.16 111.27 1f04 n TYR 27 Ca -0.17 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.31 1f04 n TYR 27 Cb 0.62 -3.34 -0.16 0.00 -0.31 0.00 0.00 39.34 36.14 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 -3.74 1.83 -0.13 -0.72 -0.14 -1.16 -0.28 119.74 115.39 1f04 s LYS 28 Ca 0.00 -0.57 -0.10 0.00 -1.36 0.00 0.00 55.97 53.94 1f04 s LYS 28 Cb 0.00 -1.54 -0.05 0.00 -1.68 0.00 0.00 37.83 34.56 1f04 s LYS 28 CO 0.00 0.18 0.19 0.08 -0.76 0.00 0.00 175.35 175.04 1f04 s VAL 29 N 0.22 5.40 -0.13 3.17 1.01 0.33 -1.08 120.40 129.32 1f04 s VAL 29 Ca -0.08 0.33 -0.01 0.00 0.00 0.00 0.00 61.98 62.22 1f04 s VAL 29 Cb -0.13 -3.49 0.03 0.00 0.00 0.00 0.00 36.38 32.79 1f04 s VAL 29 CO 0.03 0.53 -0.06 -0.31 0.00 0.00 0.00 175.10 175.29 1f04 s TYR 30 N -0.42 1.45 -0.98 5.22 2.02 -1.17 -1.50 117.35 121.98 1f04 s TYR 30 Ca 0.14 -0.79 -0.18 0.00 -0.37 0.00 0.00 57.07 55.88 1f04 s TYR 30 Cb -0.12 -1.21 0.14 0.00 -0.40 0.00 0.00 41.96 40.37 1f04 s TYR 30 CO 0.03 -0.53 1.18 0.34 -1.57 0.00 0.00 175.55 175.00 1f04 s ASP 31 N 1.72 6.70 -0.16 2.29 2.15 -1.21 -3.78 116.67 124.38 1f04 s ASP 31 Ca 0.04 -2.20 0.15 0.00 0.43 0.00 0.00 52.55 50.97 1f04 s ASP 31 Cb -0.13 -2.40 0.70 0.00 -0.30 0.00 0.00 42.92 40.79 1f04 s ASP 31 CO -0.08 -1.01 1.60 0.18 -0.17 0.00 0.00 175.17 175.68 1f04 n LEU 32 N 6.41 4.84 -0.34 -1.34 4.77 -1.09 -4.45 117.00 125.80 1f04 n LEU 32 Ca 0.26 -2.45 0.20 0.00 -0.03 0.00 0.00 56.01 53.99 1f04 n LEU 32 Cb 0.48 -0.61 0.43 0.00 -2.33 0.00 0.00 43.42 41.40 1f04 n LEU 32 CO 0.52 0.68 1.19 0.74 -1.33 0.00 0.00 177.39 179.19 1f04 h THR 33 N 3.71 0.53 -0.97 -5.08 2.02 -1.77 0.21 112.91 111.57 1f04 h THR 33 Ca 0.00 -0.18 -0.57 0.00 0.77 0.00 0.00 66.41 66.43 1f04 h THR 33 Cb 1.59 -0.02 -0.30 0.00 -1.74 0.00 0.00 68.15 67.68 1f04 h THR 33 CO 0.32 0.09 0.70 1.17 0.37 0.00 0.00 175.52 178.17 1f04 n LYS 34 N -4.77 2.44 -0.09 6.66 4.81 -1.26 -4.02 118.16 121.92 1f04 n LYS 34 Ca 0.26 -3.15 0.00 0.00 -0.87 0.00 0.00 58.31 54.55 1f04 n LYS 34 Cb 0.80 -2.21 0.00 0.00 0.02 0.00 0.00 35.03 33.63 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 -1.05 0.00 0.31 5.64 7.35 0.72 -4.92 117.46 125.52 1f04 n PHE 35 Ca 0.60 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 57.16 1f04 n PHE 35 Cb 1.23 0.05 -0.06 0.00 0.35 0.00 0.00 39.48 41.05 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 -0.69 -1.90 -2.13 3.38 -1.62 0.15 115.31 112.49 1f04 h LEU 36 Ca 0.00 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1f04 h LEU 36 Cb 1.05 0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.98 1f04 h LEU 36 CO 0.00 -0.36 -0.04 1.05 0.09 0.00 0.00 178.44 179.18 1f04 h GLU 37 N -1.09 0.01 -0.34 1.13 4.11 -1.91 -2.45 114.58 114.04 1f04 h GLU 37 Ca -0.08 -0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.21 1f04 h GLU 37 Cb 0.63 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 1f04 h GLU 37 CO 0.14 0.05 -0.30 0.93 0.07 0.00 0.00 179.01 179.90 1f04 h GLU 38 N 0.01 0.81 -6.42 1.06 5.08 -1.88 -3.45 114.58 109.78 1f04 h GLU 38 Ca 0.00 -0.41 -0.53 0.00 -1.00 0.00 0.00 59.36 57.41 1f04 h GLU 38 Cb 0.08 0.01 0.02 0.00 0.50 0.00 0.00 28.75 29.36 1f04 h GLU 38 CO 0.01 1.05 1.03 -1.58 -1.00 0.00 0.00 179.01 178.51 1f04 s HIS 39 N -4.43 2.28 0.41 4.33 2.46 0.51 -4.89 115.29 115.97 1f04 s HIS 39 Ca -0.12 0.24 0.19 0.00 0.47 0.00 0.00 55.06 55.85 1f04 s HIS 39 Cb 0.10 -3.98 1.11 0.00 -0.13 0.00 0.00 32.58 29.68 1f04 s HIS 39 CO 0.85 -4.00 1.98 -1.00 -2.47 0.00 0.00 174.74 170.10 1f04 h PRO 40 N 8.64 0.00 -0.06 2.88 0.13 -1.87 -1.45 132.00 140.27 1f04 h PRO 40 Ca -0.43 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.72 1f04 h PRO 40 Cb 1.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 1f04 h PRO 40 CO 0.93 0.20 0.25 0.78 -0.23 0.00 0.00 178.00 179.94 1f04 h GLY 41 N 0.81 0.00 0.00 1.56 0.00 -1.93 -3.47 103.07 100.04 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 -1.23 1.06 3.58 4.60 0.00 -0.55 -4.79 105.19 107.85 1f04 n GLY 42 Ca -0.01 -1.38 -0.22 0.00 0.00 0.00 0.00 46.02 44.40 1f04 n GLY 42 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1f04 s GLU 43 N -4.95 1.95 0.00 1.61 -1.05 -1.25 -3.51 118.70 111.51 1f04 s GLU 43 Ca 0.00 -0.70 0.00 0.00 -0.15 0.00 0.00 54.97 54.12 1f04 s GLU 43 Cb 0.00 -5.10 0.00 0.00 -0.44 0.00 0.00 34.13 28.59 1f04 s GLU 43 CO 0.00 -4.52 0.00 0.00 0.95 0.00 0.00 175.26 171.69 1f04 n ALA 44 N 16.60 0.00 -0.15 -0.84 0.00 -1.26 -4.88 120.51 129.97 1f04 n ALA 44 Ca 0.43 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.84 1f04 n ALA 44 Cb 0.46 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.97 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 0.77 -0.65 0.00 3.04 -1.86 0.31 116.25 117.87 1f04 h VAL 45 Ca 0.00 -0.09 0.08 0.00 -1.01 0.00 0.00 66.70 65.67 1f04 h VAL 45 Cb 0.00 0.48 -0.06 0.00 -2.01 0.00 0.00 31.29 29.69 1f04 h VAL 45 CO 0.00 0.05 0.32 -0.07 -1.01 0.00 0.00 177.57 176.86 1f04 h LEU 46 N 0.27 0.42 -1.15 3.16 3.38 -1.94 -0.78 115.31 118.68 1f04 h LEU 46 Ca 0.24 0.05 -0.08 0.00 0.09 0.00 0.00 57.88 58.17 1f04 h LEU 46 Cb 0.29 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1f04 h LEU 46 CO -0.28 0.26 -0.34 -0.09 0.09 0.00 0.00 178.44 178.07 1f04 h ARG 47 N 0.57 0.15 -0.00 1.13 9.65 -1.15 0.14 114.38 124.86 1f04 h ARG 47 Ca 0.31 -0.06 -0.02 0.00 -1.10 0.00 0.00 59.98 59.11 1f04 h ARG 47 Cb 0.29 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.86 1f04 h ARG 47 CO -0.24 0.48 -0.09 0.00 2.80 0.00 0.00 179.97 182.92 1f04 h ALA 48 N 1.52 0.02 0.00 2.80 0.00 0.22 -3.23 119.26 120.59 1f04 h ALA 48 Ca 0.02 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1f04 h ALA 48 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1f04 h ALA 48 CO 0.05 -0.05 0.00 1.96 0.00 0.00 0.00 179.25 181.21 1f04 h GLN 49 N -0.65 0.00 -6.53 0.00 7.50 -1.15 -3.46 115.11 110.82 1f04 h GLN 49 Ca -0.01 0.00 -0.59 0.00 0.50 0.00 0.00 58.65 58.55 1f04 h GLN 49 Cb 0.84 0.00 0.15 0.00 0.05 0.00 0.00 27.48 28.52 1f04 h GLN 49 CO 0.02 0.00 -0.21 0.00 -1.50 0.00 0.00 178.83 177.13 1f04 n ALA 50 N -1.83 -0.79 -3.49 3.87 0.00 0.48 -2.90 120.51 115.84 1f04 n ALA 50 Ca 0.04 0.08 -0.19 0.00 0.00 0.00 0.00 53.44 53.38 1f04 n ALA 50 Cb 0.36 -1.90 0.08 0.00 0.00 0.00 0.00 19.45 17.99 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 1.60 -0.37 3.89 0.00 0.00 0.94 -4.63 105.19 106.61 1f04 n GLY 51 Ca 0.11 0.12 -0.03 0.00 0.00 0.00 0.00 46.02 46.22 1f04 n GLY 51 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1f04 s GLY 52 N -4.23 0.14 0.19 -0.02 0.00 -1.14 -4.34 107.32 97.92 1f04 s GLY 52 Ca 0.08 -0.38 -0.30 0.00 0.00 0.00 0.00 44.72 44.11 1f04 s GLY 52 CO 0.74 2.52 1.25 0.51 0.00 0.00 0.00 173.10 178.12 1f04 s ASP 53 N -3.43 7.00 -0.04 1.64 -4.77 -1.26 -1.71 116.67 114.11 1f04 s ASP 53 Ca 0.22 2.30 0.10 0.00 -3.30 0.00 0.00 52.55 51.87 1f04 s ASP 53 Cb -0.03 -2.61 0.18 0.00 -1.09 0.00 0.00 42.92 39.38 1f04 s ASP 53 CO 0.06 -0.45 1.08 0.00 0.70 0.00 0.00 175.17 176.56 1f04 n ALA 54 N 2.62 2.25 0.20 2.11 0.00 -0.56 -4.88 120.51 122.24 1f04 n ALA 54 Ca 0.05 -1.75 -0.15 0.00 0.00 0.00 0.00 53.44 51.59 1f04 n ALA 54 Cb 0.44 -0.53 -0.08 0.00 0.00 0.00 0.00 19.45 19.28 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 5.48 0.68 -0.26 0.00 2.02 -1.88 0.17 112.91 119.13 1f04 h THR 55 Ca -0.06 -0.20 0.04 0.00 0.77 0.00 0.00 66.41 66.97 1f04 h THR 55 Cb 1.43 0.79 -0.04 0.00 -1.74 0.00 0.00 68.15 68.59 1f04 h THR 55 CO 0.02 0.04 0.00 0.00 0.37 0.00 0.00 175.52 175.96 1f04 h ALA 56 N 0.07 0.23 -0.05 6.16 0.00 -1.91 -0.59 119.26 123.17 1f04 h ALA 56 Ca -0.05 0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1f04 h ALA 56 Cb 0.42 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1f04 h ALA 56 CO 0.08 -0.42 -0.00 -0.91 0.00 0.00 0.00 179.25 178.00 1f04 h ASN 57 N 0.08 -0.02 -0.15 0.00 4.21 -1.87 0.21 115.58 118.04 1f04 h ASN 57 Ca 0.12 0.01 0.05 0.00 1.21 0.00 0.00 56.30 57.69 1f04 h ASN 57 Cb 0.16 0.02 -0.06 0.00 -1.12 0.00 0.00 38.32 37.31 1f04 h ASN 57 CO -0.20 -0.00 -0.27 0.15 -1.29 0.00 0.00 177.43 175.82 1f04 h PHE 58 N 0.02 -0.73 -0.59 1.19 3.57 -0.40 -2.14 116.94 117.86 1f04 h PHE 58 Ca 0.02 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.50 1f04 h PHE 58 Cb 0.03 0.34 -0.02 0.00 2.79 0.00 0.00 35.95 39.08 1f04 h PHE 58 CO -0.10 -0.35 0.15 0.93 -2.23 0.00 0.00 178.31 176.70 1f04 h GLU 59 N -0.33 0.94 -0.77 1.11 4.39 -0.91 -2.84 114.58 116.17 1f04 h GLU 59 Ca 0.11 -0.22 0.13 0.00 0.34 0.00 0.00 59.36 59.71 1f04 h GLU 59 Cb 0.49 -0.12 -0.09 0.00 -0.10 0.00 0.00 28.75 28.93 1f04 h GLU 59 CO -0.34 0.86 0.36 0.00 -1.16 0.00 0.00 179.01 178.73 1f04 h ALA 60 N 1.03 1.10 -0.31 3.43 0.00 -0.19 0.37 119.26 124.69 1f04 h ALA 60 Ca 0.18 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1f04 h ALA 60 Cb 0.34 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1f04 h ALA 60 CO 0.00 -0.13 0.20 0.28 0.00 0.00 0.00 179.25 179.61 1f04 h VAL 61 N 0.54 1.07 0.00 0.00 2.07 -1.23 -3.48 116.25 115.22 1f04 h VAL 61 Ca 0.41 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.79 1f04 h VAL 61 Cb 0.56 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1f04 h VAL 61 CO -0.35 0.08 0.00 0.61 0.02 0.00 0.00 177.57 177.92 1f04 n GLY 62 N -1.18 2.17 2.37 2.17 0.00 0.12 -5.04 105.19 105.80 1f04 n GLY 62 Ca -0.01 -0.63 -0.03 0.00 0.00 0.00 0.00 46.02 45.35 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 -4.17 -0.44 1.61 8.25 -1.26 -4.71 115.22 114.49 1f04 n HIS 63 Ca 0.00 2.45 -0.28 0.00 -0.26 0.00 0.00 57.72 59.63 1f04 n HIS 63 Cb 0.00 -3.68 0.27 0.00 1.12 0.00 0.00 29.99 27.70 1f04 n HIS 63 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1f04 s SER 64 N -0.57 0.28 0.23 0.41 0.01 -1.26 -4.60 113.70 108.20 1f04 s SER 64 Ca -0.16 1.39 -0.12 0.00 1.31 0.00 0.00 55.95 58.37 1f04 s SER 64 Cb 0.01 -2.14 0.29 0.00 0.21 0.00 0.00 66.02 64.39 1f04 s SER 64 CO 0.44 -4.61 1.61 0.71 0.41 0.00 0.00 173.24 171.80 1f04 h THR 65 N -2.90 0.28 -0.64 1.44 1.35 -1.98 0.19 112.91 110.65 1f04 h THR 65 Ca -0.60 0.00 0.14 0.00 -0.55 0.00 0.00 66.41 65.39 1f04 h THR 65 Cb 1.34 0.28 -0.11 0.00 -1.73 0.00 0.00 68.15 67.93 1f04 h THR 65 CO 0.46 0.00 -0.02 -0.78 -0.25 0.00 0.00 175.52 174.94 1f04 h ASP 66 N -0.00 -0.32 -0.44 5.36 3.58 -1.98 0.17 116.42 122.78 1f04 h ASP 66 Ca 0.34 0.16 -0.04 0.00 0.42 0.00 0.00 57.03 57.92 1f04 h ASP 66 Cb 0.52 0.30 -0.02 0.00 1.72 0.00 0.00 39.33 41.85 1f04 h ASP 66 CO -0.74 -0.14 0.13 0.00 -2.88 0.00 0.00 179.24 175.62 1f04 h ALA 67 N 1.60 0.58 -0.51 -0.78 0.00 -1.34 0.34 119.26 119.15 1f04 h ALA 67 Ca 0.33 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 55.10 1f04 h ALA 67 Cb 0.55 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1f04 h ALA 67 CO -0.57 0.24 0.34 0.00 0.00 0.00 0.00 179.25 179.26 1f04 h ARG 68 N 0.57 0.55 0.14 0.00 3.08 0.48 0.57 114.38 119.78 1f04 h ARG 68 Ca 0.14 -0.03 -0.32 0.00 0.07 0.00 0.00 59.98 59.84 1f04 h ARG 68 Cb 0.28 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.20 1f04 h ARG 68 CO -0.00 0.37 -1.61 0.93 -1.07 0.00 0.00 179.97 178.58 1f04 h GLU 69 N 0.57 0.30 0.45 0.04 4.39 -0.49 -3.13 114.58 116.71 1f04 h GLU 69 Ca 0.20 -0.51 -0.02 0.00 0.34 0.00 0.00 59.36 59.37 1f04 h GLU 69 Cb 0.10 0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 1f04 h GLU 69 CO -0.05 1.17 -0.22 1.25 -1.16 0.00 0.00 179.01 180.00 1f04 h LEU 70 N 0.08 -0.52 -0.72 1.33 5.85 -0.01 -2.42 115.31 118.91 1f04 h LEU 70 Ca -0.28 0.01 0.16 0.00 0.84 0.00 0.00 57.88 58.61 1f04 h LEU 70 Cb 2.05 0.13 -0.12 0.00 0.37 0.00 0.00 40.66 43.09 1f04 h LEU 70 CO 0.17 -0.35 0.04 0.77 -0.34 0.00 0.00 178.44 178.72 1f04 h SER 71 N -0.63 -0.26 -0.98 1.25 4.64 -1.03 0.30 113.55 116.84 1f04 h SER 71 Ca -0.06 0.18 0.23 0.00 -0.47 0.00 0.00 61.79 61.66 1f04 h SER 71 Cb 0.48 0.30 -0.12 0.00 -0.31 0.00 0.00 62.40 62.74 1f04 h SER 71 CO 0.10 -0.14 0.56 0.11 -0.87 0.00 0.00 176.83 176.60 1f04 h LYS 72 N 0.14 0.57 0.00 4.77 1.79 -1.39 0.36 116.57 122.80 1f04 h LYS 72 Ca 0.39 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.83 1f04 h LYS 72 Cb 0.68 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 31.20 1f04 h LYS 72 CO -0.60 0.38 0.00 1.15 -1.08 0.00 0.00 179.45 179.30 1f04 h THR 73 N 0.59 0.00 -0.00 -0.16 2.02 0.06 -2.57 112.91 112.84 1f04 h THR 73 Ca 0.62 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 67.52 1f04 h THR 73 Cb 1.13 1.10 0.00 0.00 -1.74 0.00 0.00 68.15 68.64 1f04 h THR 73 CO -0.46 0.00 -0.68 0.49 0.37 0.00 0.00 175.52 175.23 1f04 n PHE 74 N -2.63 0.00 -1.72 3.16 3.01 0.10 -5.01 117.46 114.38 1f04 n PHE 74 Ca 0.01 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.04 1f04 n PHE 74 Cb 0.22 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.65 1f04 n PHE 74 CO 0.00 0.00 0.00 1.51 1.01 0.00 0.00 176.76 179.28 1f04 n ILE 75 N -1.06 0.02 -0.06 4.37 0.00 0.12 -3.33 119.36 119.42 1f04 n ILE 75 Ca 0.04 -0.00 -0.03 0.00 0.00 0.00 0.00 62.75 62.76 1f04 n ILE 75 Cb 0.29 -2.00 -0.13 0.00 0.00 0.00 0.00 39.64 37.80 1f04 n ILE 75 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 1f04 n ILE 76 N 4.02 0.79 -3.60 9.51 -5.35 -0.56 -4.95 119.36 119.22 1f04 n ILE 76 Ca 0.16 -0.61 0.00 0.00 -0.27 0.00 0.00 62.75 62.03 1f04 n ILE 76 Cb 0.35 -0.36 0.00 0.00 -1.74 0.00 0.00 39.64 37.89 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 1.84 -0.69 3.61 3.28 0.00 -1.23 -3.95 105.19 108.05 1f04 n GLY 77 Ca -0.20 -0.94 -0.28 0.00 0.00 0.00 0.00 46.02 44.61 1f04 n GLY 77 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1f04 s GLU 78 N -1.19 1.95 0.17 1.61 2.12 -1.25 -0.52 118.70 121.58 1f04 s GLU 78 Ca 0.00 -2.12 -0.31 0.00 0.36 0.00 0.00 54.97 52.90 1f04 s GLU 78 Cb 0.00 -1.49 -0.09 0.00 0.26 0.00 0.00 34.13 32.81 1f04 s GLU 78 CO 0.00 -0.12 1.40 -1.17 -0.54 0.00 0.00 175.26 174.82 1f04 s LEU 79 N -3.70 4.39 0.43 2.70 2.96 0.61 -1.24 118.68 124.82 1f04 s LEU 79 Ca 0.31 2.44 -0.25 0.00 -0.22 0.00 0.00 54.13 56.41 1f04 s LEU 79 Cb 0.09 -3.60 -0.10 0.00 0.50 0.00 0.00 46.19 43.08 1f04 s LEU 79 CO 0.16 -0.65 1.18 1.57 -1.32 0.00 0.00 176.35 177.28 1f04 n HIS 80 N 3.32 1.77 0.54 5.38 -0.00 -0.12 -4.74 115.22 121.37 1f04 n HIS 80 Ca 0.09 0.52 0.06 0.00 -0.00 0.00 0.00 57.72 58.39 1f04 n HIS 80 Cb 0.42 -2.32 0.29 0.00 -0.00 0.00 0.00 29.99 28.38 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 0.01 0.14 0.11 1.57 -0.04 -1.26 -1.86 135.00 133.68 1f04 n PRO 81 Ca 0.08 0.19 0.09 0.00 -0.04 0.00 0.00 63.50 63.82 1f04 n PRO 81 Cb 0.40 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.37 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 0.00 0.06 3.54 3.58 -1.97 -3.37 116.42 118.26 1f04 h ASP 82 Ca 0.00 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.45 1f04 h ASP 82 Cb 0.13 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.18 1f04 h ASP 82 CO 0.00 0.12 -0.03 -0.78 -2.88 0.00 0.00 179.24 175.67 1f04 h ASP 83 N 0.00 -0.07 0.00 2.28 1.82 -1.73 -3.51 116.42 115.21 1f04 h ASP 83 Ca -0.03 -0.55 0.00 0.00 -0.39 0.00 0.00 57.03 56.07 1f04 h ASP 83 Cb 1.11 0.02 0.00 0.00 0.68 0.00 0.00 39.33 41.14 1f04 h ASP 83 CO 0.01 0.64 0.00 -2.11 -1.61 0.00 0.00 179.24 176.17