#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 5.20 -0.29 0.00 -7.23 -1.26 -5.09 120.40 111.73 1f04 s VAL 4 Ca 0.00 -0.51 0.00 0.00 -1.81 0.00 0.00 61.98 59.66 1f04 s VAL 4 Cb 0.00 -3.79 0.06 0.00 0.56 0.00 0.00 36.38 33.21 1f04 s VAL 4 CO 0.00 -0.29 -0.03 -0.75 -0.31 0.00 0.00 175.10 173.73 1f04 s LYS 5 N -3.67 2.28 0.57 4.82 2.20 -1.26 -5.02 119.74 119.66 1f04 s LYS 5 Ca 0.38 -1.36 -0.17 0.00 -0.36 0.00 0.00 55.97 54.46 1f04 s LYS 5 Cb -0.10 -3.10 -0.05 0.00 -1.51 0.00 0.00 37.83 33.08 1f04 s LYS 5 CO 0.31 -0.64 1.08 0.71 -0.36 0.00 0.00 175.35 176.44 1f04 s TYR 6 N 1.17 2.87 0.01 4.03 2.02 -1.26 -4.13 117.35 122.05 1f04 s TYR 6 Ca -0.05 1.54 0.04 0.00 -0.37 0.00 0.00 57.07 58.23 1f04 s TYR 6 Cb -0.20 -3.10 -0.01 0.00 -0.40 0.00 0.00 41.96 38.24 1f04 s TYR 6 CO -0.03 -1.23 -0.13 0.71 -1.57 0.00 0.00 175.55 173.29 1f04 s TYR 7 N -2.19 1.18 0.51 2.71 2.02 -0.08 -4.79 117.35 116.72 1f04 s TYR 7 Ca 0.67 -0.26 -0.13 0.00 -0.37 0.00 0.00 57.07 56.98 1f04 s TYR 7 Cb -0.18 -0.74 -0.06 0.00 -0.40 0.00 0.00 41.96 40.57 1f04 s TYR 7 CO 0.32 -0.00 0.93 0.95 -1.57 0.00 0.00 175.55 176.18 1f04 s THR 8 N -0.47 4.66 0.30 -0.71 -4.23 -1.26 -0.42 115.64 113.50 1f04 s THR 8 Ca 0.04 0.93 0.05 0.00 -1.18 0.00 0.00 61.69 61.53 1f04 s THR 8 Cb -0.06 -3.77 0.29 0.00 1.34 0.00 0.00 72.50 70.30 1f04 s THR 8 CO 0.00 -0.77 1.76 0.25 -0.54 0.00 0.00 174.62 175.33 1f04 h LEU 9 N 0.66 0.71 0.60 4.79 6.46 -1.98 0.78 115.31 127.32 1f04 h LEU 9 Ca -0.46 0.10 -0.02 0.00 -0.12 0.00 0.00 57.88 57.38 1f04 h LEU 9 Cb 1.19 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 41.10 1f04 h LEU 9 CO 0.62 0.23 -0.38 -0.08 -0.62 0.00 0.00 178.44 178.22 1f04 h GLU 10 N 0.70 -0.89 -0.50 1.25 4.57 -1.98 0.38 114.58 118.11 1f04 h GLU 10 Ca 0.57 0.06 0.02 0.00 -1.18 0.00 0.00 59.36 58.83 1f04 h GLU 10 Cb 0.90 0.20 -0.03 0.00 -0.16 0.00 0.00 28.75 29.67 1f04 h GLU 10 CO -0.40 -0.59 0.30 0.93 -1.18 0.00 0.00 179.01 178.07 1f04 h GLU 11 N -0.93 0.59 -0.60 1.92 3.07 -1.77 -0.80 114.58 116.06 1f04 h GLU 11 Ca -0.07 -0.04 0.04 0.00 -0.50 0.00 0.00 59.36 58.79 1f04 h GLU 11 Cb 0.75 -0.13 -0.04 0.00 -0.84 0.00 0.00 28.75 28.49 1f04 h GLU 11 CO 0.07 0.39 0.35 0.82 -1.40 0.00 0.00 179.01 179.24 1f04 h ILE 12 N 0.61 1.02 -0.22 3.13 2.04 -0.70 -2.48 117.51 120.90 1f04 h ILE 12 Ca 0.20 -0.23 0.06 0.00 1.00 0.00 0.00 64.86 65.88 1f04 h ILE 12 Cb 0.00 0.29 -0.06 0.00 -0.74 0.00 0.00 36.82 36.30 1f04 h ILE 12 CO -0.08 0.12 -0.20 1.56 0.00 0.00 0.00 178.15 179.55 1f04 h GLN 13 N 0.67 -0.20 -0.69 2.37 1.08 0.58 -2.10 115.11 116.82 1f04 h GLN 13 Ca 0.26 0.01 0.20 0.00 -1.45 0.00 0.00 58.65 57.67 1f04 h GLN 13 Cb 0.09 0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 27.54 1f04 h GLN 13 CO -0.14 -0.14 0.51 1.57 -0.95 0.00 0.00 178.83 179.69 1f04 h LYS 14 N -0.21 0.00 -3.65 1.46 2.10 -0.69 -2.95 116.57 112.63 1f04 h LYS 14 Ca 0.13 0.00 -0.68 0.00 -2.00 0.00 0.00 60.65 58.10 1f04 h LYS 14 Cb 0.41 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.73 1f04 h LYS 14 CO -0.35 0.00 3.34 0.72 -2.00 0.00 0.00 179.45 181.16 1f04 n HIS 15 N -4.28 2.99 -2.64 0.07 8.25 -0.79 -4.49 115.22 114.32 1f04 n HIS 15 Ca 0.14 -2.93 -0.11 0.00 -0.26 0.00 0.00 57.72 54.56 1f04 n HIS 15 Cb 0.77 -2.47 0.03 0.00 1.12 0.00 0.00 29.99 29.44 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 5.21 1.86 -4.12 0.41 0.23 -1.11 -1.77 115.26 115.97 1f04 n ASN 16 Ca 0.61 -2.80 -0.18 0.00 -0.53 0.00 0.00 54.58 51.68 1f04 n ASN 16 Cb 0.33 -0.52 -0.09 0.00 -2.08 0.00 0.00 39.78 37.41 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 -3.21 1.53 -0.91 0.53 3.84 -1.22 -5.03 114.94 110.47 1f04 s ASN 17 Ca 0.30 -1.50 -0.07 0.00 0.21 0.00 0.00 52.86 51.80 1f04 s ASN 17 Cb 0.44 0.30 -0.11 0.00 -0.55 0.00 0.00 41.25 41.34 1f04 s ASN 17 CO 0.01 -0.83 2.68 -0.24 -2.79 0.00 0.00 177.10 175.93 1f04 n SER 18 N -0.79 6.12 0.00 -4.21 2.88 -1.26 -3.09 113.62 113.28 1f04 n SER 18 Ca 0.00 -2.40 0.00 0.00 -1.33 0.00 0.00 58.87 55.14 1f04 n SER 18 Cb 0.65 -1.27 0.00 0.00 -0.75 0.00 0.00 64.21 62.84 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 3.50 0.00 -3.62 -1.46 5.02 -1.26 -5.11 118.16 115.24 1f04 n LYS 19 Ca 0.54 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.67 1f04 n LYS 19 Cb 0.34 0.00 -0.14 0.00 -0.02 0.00 0.00 35.03 35.21 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 -2.34 0.78 -0.48 4.39 0.01 -1.18 -4.90 113.70 109.98 1f04 s SER 20 Ca 0.00 0.27 -0.14 0.00 1.31 0.00 0.00 55.95 57.39 1f04 s SER 20 Cb 0.00 0.46 0.09 0.00 0.21 0.00 0.00 66.02 66.78 1f04 s SER 20 CO 0.00 -0.27 0.39 -0.89 0.41 0.00 0.00 173.24 172.89 1f04 s THR 21 N 2.35 4.96 0.56 1.44 2.01 -1.26 -3.28 115.64 122.42 1f04 s THR 21 Ca 0.03 -1.29 0.09 0.00 0.31 0.00 0.00 61.69 60.83 1f04 s THR 21 Cb -0.13 -4.05 0.07 0.00 0.01 0.00 0.00 72.50 68.40 1f04 s THR 21 CO -0.08 -0.65 0.69 0.26 -0.69 0.00 0.00 174.62 174.14 1f04 s TRP 22 N 1.57 1.53 0.00 4.92 0.52 -0.73 -2.67 118.94 124.08 1f04 s TRP 22 Ca 0.04 -0.73 0.00 0.00 0.02 0.00 0.00 56.10 55.42 1f04 s TRP 22 Cb -0.26 -2.15 0.00 0.00 -1.15 0.00 0.00 33.47 29.91 1f04 s TRP 22 CO 0.04 -0.96 0.00 1.47 0.02 0.00 0.00 176.95 177.52 1f04 n LEU 23 N -2.11 0.00 -4.27 2.99 -0.00 -1.24 -0.11 117.00 112.25 1f04 n LEU 23 Ca 0.11 0.00 -0.34 0.00 -0.00 0.00 0.00 56.01 55.79 1f04 n LEU 23 Cb 0.62 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 43.89 1f04 n LEU 23 CO 0.40 0.00 -0.46 -0.63 -0.00 0.00 0.00 177.39 176.70 1f04 s ILE 24 N -2.00 2.82 -0.39 1.47 1.01 -0.47 -3.07 121.20 120.57 1f04 s ILE 24 Ca 0.00 -0.71 0.02 0.00 0.00 0.00 0.00 60.65 59.96 1f04 s ILE 24 Cb 0.00 -2.22 0.12 0.00 0.01 0.00 0.00 42.46 40.37 1f04 s ILE 24 CO 0.00 0.50 0.16 -0.76 0.00 0.00 0.00 174.94 174.84 1f04 s LEU 25 N 0.98 3.23 -0.71 2.97 1.02 -0.05 -0.99 118.68 125.14 1f04 s LEU 25 Ca -0.02 -2.30 -0.00 0.00 0.02 0.00 0.00 54.13 51.83 1f04 s LEU 25 Cb -0.15 -1.20 -0.01 0.00 0.02 0.00 0.00 46.19 44.86 1f04 s LEU 25 CO -0.02 -0.33 0.60 1.41 0.02 0.00 0.00 176.35 178.03 1f04 n HIS 26 N 4.00 -1.35 -1.46 0.29 8.25 -1.26 -2.92 115.22 120.78 1f04 n HIS 26 Ca 0.04 0.56 -0.16 0.00 -0.26 0.00 0.00 57.72 57.90 1f04 n HIS 26 Cb 0.38 -3.82 -0.07 0.00 1.12 0.00 0.00 29.99 27.60 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 -2.84 0.00 -5.15 4.41 4.01 -1.26 -4.95 117.16 111.37 1f04 n TYR 27 Ca -0.16 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.28 1f04 n TYR 27 Cb 0.60 -3.13 -0.17 0.00 -0.31 0.00 0.00 39.34 36.33 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 -3.34 2.57 -0.05 -0.72 1.02 -1.15 -0.29 119.74 117.77 1f04 s LYS 28 Ca 0.00 -0.83 -0.14 0.00 0.02 0.00 0.00 55.97 55.03 1f04 s LYS 28 Cb 0.00 -2.08 -0.05 0.00 -0.52 0.00 0.00 37.83 35.18 1f04 s LYS 28 CO 0.00 0.27 0.35 0.08 -0.92 0.00 0.00 175.35 175.14 1f04 s VAL 29 N 0.08 5.16 -0.18 3.17 1.01 -1.20 -0.87 120.40 127.57 1f04 s VAL 29 Ca -0.10 0.70 -0.01 0.00 0.00 0.00 0.00 61.98 62.58 1f04 s VAL 29 Cb -0.15 -3.66 0.05 0.00 0.00 0.00 0.00 36.38 32.62 1f04 s VAL 29 CO 0.05 0.54 -0.04 -0.31 0.00 0.00 0.00 175.10 175.34 1f04 s TYR 30 N -0.74 1.76 -0.55 5.22 2.02 -1.17 -1.42 117.35 122.45 1f04 s TYR 30 Ca 0.21 -1.19 -0.23 0.00 -0.37 0.00 0.00 57.07 55.49 1f04 s TYR 30 Cb -0.15 -1.33 0.05 0.00 -0.40 0.00 0.00 41.96 40.12 1f04 s TYR 30 CO 0.10 -0.65 0.87 0.34 -1.57 0.00 0.00 175.55 174.64 1f04 s ASP 31 N 1.61 6.29 0.00 2.29 2.15 -1.13 -3.73 116.67 124.15 1f04 s ASP 31 Ca -0.01 -0.55 0.00 0.00 0.43 0.00 0.00 52.55 52.42 1f04 s ASP 31 Cb -0.16 -2.40 0.00 0.00 -0.30 0.00 0.00 42.92 40.06 1f04 s ASP 31 CO -0.07 -1.17 0.00 0.18 -0.17 0.00 0.00 175.17 173.94 1f04 n LEU 32 N 7.18 0.00 0.00 -1.34 4.32 -1.09 -4.90 117.00 121.17 1f04 n LEU 32 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.98 1f04 n LEU 32 Cb 0.47 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.27 1f04 n LEU 32 CO 0.61 0.00 0.00 1.07 -1.22 0.00 0.00 177.39 177.85 1f04 n THR 33 N 0.00 0.00 0.43 -5.08 5.66 -1.25 -4.07 114.28 109.97 1f04 n THR 33 Ca 0.00 0.00 0.11 0.00 -3.05 0.00 0.00 64.05 61.11 1f04 n THR 33 Cb 0.00 0.00 0.45 0.00 -1.55 0.00 0.00 70.33 69.23 1f04 n THR 33 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1f04 n LYS 34 N 0.00 0.16 0.00 1.09 4.81 -1.26 -1.48 118.16 121.48 1f04 n LYS 34 Ca 0.00 0.38 0.13 0.00 -0.87 0.00 0.00 58.31 57.94 1f04 n LYS 34 Cb 0.00 -1.79 0.31 0.00 0.02 0.00 0.00 35.03 33.57 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 -2.08 0.00 0.23 5.64 7.35 -1.26 -4.44 117.46 122.91 1f04 n PHE 35 Ca 0.03 0.00 -0.16 0.00 -0.76 0.00 0.00 57.45 56.56 1f04 n PHE 35 Cb 0.22 -0.05 -0.08 0.00 0.35 0.00 0.00 39.48 39.93 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 2.20 -1.02 -1.09 -2.13 3.38 -1.60 0.36 115.31 115.41 1f04 h LEU 36 Ca 0.00 0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 1f04 h LEU 36 Cb 0.61 0.34 -0.02 0.00 0.09 0.00 0.00 40.66 41.68 1f04 h LEU 36 CO 0.00 -0.52 0.15 1.05 0.09 0.00 0.00 178.44 179.21 1f04 h GLU 37 N -0.78 0.79 -0.44 1.13 4.11 -1.80 -2.79 114.58 114.81 1f04 h GLU 37 Ca -0.03 -0.15 -0.07 0.00 0.07 0.00 0.00 59.36 59.18 1f04 h GLU 37 Cb 0.70 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 1f04 h GLU 37 CO -0.06 0.70 -0.03 0.93 0.07 0.00 0.00 179.01 180.62 1f04 h GLU 38 N 0.77 0.73 -6.28 1.06 5.08 -1.67 -3.44 114.58 110.84 1f04 h GLU 38 Ca 0.18 -0.20 -0.55 0.00 -1.00 0.00 0.00 59.36 57.78 1f04 h GLU 38 Cb 0.25 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1f04 h GLU 38 CO -0.01 0.77 0.92 -1.58 -1.00 0.00 0.00 179.01 178.11 1f04 s HIS 39 N -4.93 2.61 0.39 4.33 2.46 0.12 -4.92 115.29 115.36 1f04 s HIS 39 Ca -0.09 0.69 0.10 0.00 0.47 0.00 0.00 55.06 56.24 1f04 s HIS 39 Cb 0.15 -3.69 0.79 0.00 -0.13 0.00 0.00 32.58 29.69 1f04 s HIS 39 CO 0.80 -2.64 1.91 -1.00 -2.47 0.00 0.00 174.74 171.34 1f04 h PRO 40 N 8.40 0.18 -0.39 2.88 0.13 -1.86 -2.35 132.00 138.99 1f04 h PRO 40 Ca -0.35 -0.05 0.11 0.00 -0.87 0.00 0.00 66.00 64.84 1f04 h PRO 40 Cb 1.16 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.25 1f04 h PRO 40 CO 0.93 0.36 0.49 0.78 -0.23 0.00 0.00 178.00 180.34 1f04 h GLY 41 N 0.77 0.00 0.00 1.56 0.00 -1.93 -3.47 103.07 100.01 1f04 h GLY 41 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 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 -1.46 1.68 3.55 4.60 0.00 -0.89 -4.85 105.19 107.81 1f04 n GLY 42 Ca 0.07 -1.25 -0.25 0.00 0.00 0.00 0.00 46.02 44.59 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 2.70 0.63 0.00 1.61 0.28 -1.24 -3.18 120.64 121.44 1f04 n GLU 43 Ca 0.00 -0.39 0.00 0.00 -0.16 0.00 0.00 57.16 56.61 1f04 n GLU 43 Cb 0.00 -3.16 0.00 0.00 1.43 0.00 0.00 31.44 29.71 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 15.73 0.00 -0.24 -1.84 0.00 -1.26 -4.94 120.51 127.96 1f04 n ALA 44 Ca 0.47 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.85 1f04 n ALA 44 Cb 0.41 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.90 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 1.22 -0.42 0.00 3.04 -1.87 0.26 116.25 118.48 1f04 h VAL 45 Ca 0.00 -0.60 0.04 0.00 -1.01 0.00 0.00 66.70 65.13 1f04 h VAL 45 Cb 0.00 0.41 -0.02 0.00 -2.01 0.00 0.00 31.29 29.67 1f04 h VAL 45 CO 0.00 0.25 0.28 -0.07 -1.01 0.00 0.00 177.57 177.02 1f04 h LEU 46 N 0.90 0.36 0.01 3.16 3.38 -1.93 -1.16 115.31 120.03 1f04 h LEU 46 Ca 0.23 -0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.07 1f04 h LEU 46 Cb 0.10 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 40.78 1f04 h LEU 46 CO -0.03 0.25 -0.48 -0.09 0.09 0.00 0.00 178.44 178.17 1f04 h ARG 47 N 0.42 0.31 -0.93 1.13 9.65 -1.35 -1.94 114.38 121.67 1f04 h ARG 47 Ca 0.17 -0.35 -0.01 0.00 -1.10 0.00 0.00 59.98 58.70 1f04 h ARG 47 Cb 0.17 0.10 -0.04 0.00 -1.39 0.00 0.00 29.97 28.81 1f04 h ARG 47 CO -0.04 1.05 0.54 0.00 2.80 0.00 0.00 179.97 184.31 1f04 h ALA 48 N 0.27 1.19 -0.00 2.80 0.00 -0.21 -0.22 119.26 123.09 1f04 h ALA 48 Ca -0.06 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1f04 h ALA 48 Cb 1.22 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1f04 h ALA 48 CO 0.09 0.67 -0.12 1.04 0.00 0.00 0.00 179.25 180.93 1f04 n GLN 49 N -4.34 0.39 -1.51 0.00 1.13 -0.47 -4.91 117.38 107.67 1f04 n GLN 49 Ca 0.10 -0.11 -0.36 0.00 -1.94 0.00 0.00 57.00 54.69 1f04 n GLN 49 Cb 0.08 -1.50 0.09 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 -1.21 0.54 -3.58 -1.58 0.00 -0.10 -3.21 120.51 111.37 1f04 n ALA 50 Ca 0.11 -0.11 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 1f04 n ALA 50 Cb 0.29 -2.25 0.06 0.00 0.00 0.00 0.00 19.45 17.56 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 0.90 -0.36 3.75 0.00 0.00 0.84 -4.85 105.19 105.47 1f04 n GLY 51 Ca 0.15 0.13 -0.04 0.00 0.00 0.00 0.00 46.02 46.26 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 -4.18 -0.24 -0.02 -0.02 0.00 -1.20 -4.31 107.32 97.35 1f04 s GLY 52 Ca 0.11 0.14 -0.30 0.00 0.00 0.00 0.00 44.72 44.67 1f04 s GLY 52 CO 0.77 0.01 1.88 -0.35 0.00 0.00 0.00 173.10 175.41 1f04 s ASP 53 N -2.93 6.42 -0.08 1.64 2.15 -1.26 -1.37 116.67 121.25 1f04 s ASP 53 Ca 0.12 2.43 0.12 0.00 0.43 0.00 0.00 52.55 55.65 1f04 s ASP 53 Cb -0.01 -2.53 0.18 0.00 -0.30 0.00 0.00 42.92 40.26 1f04 s ASP 53 CO 0.02 -1.10 1.09 0.00 -0.17 0.00 0.00 175.17 175.00 1f04 n ALA 54 N 7.81 2.15 0.03 3.66 0.00 -0.16 -4.77 120.51 129.23 1f04 n ALA 54 Ca 0.20 -2.00 -0.11 0.00 0.00 0.00 0.00 53.44 51.53 1f04 n ALA 54 Cb 0.42 -0.25 -0.06 0.00 0.00 0.00 0.00 19.45 19.56 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 0.20 0.94 -0.77 0.00 2.02 -1.75 0.15 112.91 113.70 1f04 h THR 55 Ca 0.00 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.24 1f04 h THR 55 Cb 0.84 0.94 -0.06 0.00 -1.74 0.00 0.00 68.15 68.12 1f04 h THR 55 CO 0.00 0.00 0.46 0.00 0.37 0.00 0.00 175.52 176.35 1f04 h ALA 56 N 1.02 1.05 0.05 6.16 0.00 -1.89 -0.70 119.26 124.95 1f04 h ALA 56 Ca 0.02 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1f04 h ALA 56 Cb 0.05 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1f04 h ALA 56 CO -0.05 0.16 -0.02 -0.91 0.00 0.00 0.00 179.25 178.43 1f04 h ASN 57 N 0.83 -0.05 -0.50 0.00 4.21 -1.74 0.31 115.58 118.63 1f04 h ASN 57 Ca 0.34 -0.36 0.10 0.00 1.21 0.00 0.00 56.30 57.60 1f04 h ASN 57 Cb 0.19 0.01 -0.10 0.00 -1.12 0.00 0.00 38.32 37.30 1f04 h ASN 57 CO -0.18 0.33 -0.22 0.15 -1.29 0.00 0.00 177.43 176.22 1f04 h PHE 58 N -0.45 -0.56 -0.21 1.19 3.57 -0.50 -0.55 116.94 119.43 1f04 h PHE 58 Ca -0.01 0.05 -0.09 0.00 3.53 0.00 0.00 57.97 61.46 1f04 h PHE 58 Cb 0.41 0.33 -0.00 0.00 2.79 0.00 0.00 35.95 39.47 1f04 h PHE 58 CO 0.05 -0.31 -0.21 0.93 -2.23 0.00 0.00 178.31 176.55 1f04 h GLU 59 N -0.11 0.51 -0.49 1.11 4.39 -1.10 -0.76 114.58 118.13 1f04 h GLU 59 Ca 0.23 -0.27 0.07 0.00 0.34 0.00 0.00 59.36 59.74 1f04 h GLU 59 Cb 0.47 0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 29.08 1f04 h GLU 59 CO -0.57 0.85 0.16 0.00 -1.16 0.00 0.00 179.01 178.28 1f04 h ALA 60 N 0.65 0.58 0.26 3.43 0.00 0.08 -0.93 119.26 123.33 1f04 h ALA 60 Ca 0.03 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1f04 h ALA 60 Cb 0.75 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1f04 h ALA 60 CO 0.05 -0.24 -0.12 0.28 0.00 0.00 0.00 179.25 179.22 1f04 h VAL 61 N 0.32 0.79 0.00 0.00 2.07 -1.14 -3.50 116.25 114.78 1f04 h VAL 61 Ca 0.24 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1f04 h VAL 61 Cb 0.26 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1f04 h VAL 61 CO -0.26 0.06 0.00 0.61 0.02 0.00 0.00 177.57 178.00 1f04 n GLY 62 N -0.88 1.40 3.33 2.17 0.00 -0.29 -5.11 105.19 105.81 1f04 n GLY 62 Ca -0.10 -1.56 -0.09 0.00 0.00 0.00 0.00 46.02 44.27 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 -1.46 0.21 0.48 1.61 3.76 -1.26 -4.95 115.29 113.67 1f04 s HIS 63 Ca 0.00 -0.58 0.06 0.00 -0.15 0.00 0.00 55.06 54.39 1f04 s HIS 63 Cb 0.00 0.04 0.03 0.00 1.11 0.00 0.00 32.58 33.76 1f04 s HIS 63 CO 0.00 -0.71 0.66 -1.54 -0.85 0.00 0.00 174.74 172.30 1f04 s SER 64 N -2.91 5.47 0.24 1.40 1.04 -1.26 -4.94 113.70 112.74 1f04 s SER 64 Ca 0.12 -0.35 -0.05 0.00 0.48 0.00 0.00 55.95 56.15 1f04 s SER 64 Cb 0.03 -0.62 0.45 0.00 0.10 0.00 0.00 66.02 65.98 1f04 s SER 64 CO -0.04 -0.94 1.71 0.71 0.98 0.00 0.00 173.24 175.65 1f04 h THR 65 N 0.42 0.59 -0.63 2.02 1.35 -2.03 0.12 112.91 114.75 1f04 h THR 65 Ca -0.40 -0.12 0.11 0.00 -0.55 0.00 0.00 66.41 65.45 1f04 h THR 65 Cb 1.28 0.21 -0.08 0.00 -1.73 0.00 0.00 68.15 67.84 1f04 h THR 65 CO 0.46 0.06 0.19 -0.78 -0.25 0.00 0.00 175.52 175.21 1f04 h ASP 66 N 0.35 0.14 -0.40 5.36 3.58 -1.99 0.85 116.42 124.30 1f04 h ASP 66 Ca 0.41 0.10 -0.05 0.00 0.42 0.00 0.00 57.03 57.91 1f04 h ASP 66 Cb 0.65 0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.79 1f04 h ASP 66 CO -0.45 0.07 0.06 0.00 -2.88 0.00 0.00 179.24 176.05 1f04 h ALA 67 N 1.46 0.53 -0.94 -0.78 0.00 -1.48 0.22 119.26 118.27 1f04 h ALA 67 Ca 0.33 -0.22 0.10 0.00 0.00 0.00 0.00 54.91 55.12 1f04 h ALA 67 Cb 0.46 -0.15 -0.08 0.00 0.00 0.00 0.00 17.79 18.02 1f04 h ALA 67 CO -0.36 0.24 0.58 0.00 0.00 0.00 0.00 179.25 179.71 1f04 h ARG 68 N 0.51 0.94 0.07 0.00 2.47 0.40 0.12 114.38 118.89 1f04 h ARG 68 Ca 0.12 -0.06 -0.16 0.00 -1.26 0.00 0.00 59.98 58.63 1f04 h ARG 68 Cb 0.37 -0.21 0.02 0.00 -1.65 0.00 0.00 29.97 28.49 1f04 h ARG 68 CO 0.01 0.62 -0.67 0.93 0.56 0.00 0.00 179.97 181.42 1f04 h GLU 69 N 0.97 0.32 -0.33 0.04 4.39 -0.67 -3.23 114.58 116.08 1f04 h GLU 69 Ca 0.45 -0.44 0.07 0.00 0.34 0.00 0.00 59.36 59.77 1f04 h GLU 69 Cb 0.37 0.15 -0.06 0.00 -0.10 0.00 0.00 28.75 29.11 1f04 h GLU 69 CO -0.24 1.16 -0.09 1.25 -1.16 0.00 0.00 179.01 179.93 1f04 h LEU 70 N -0.30 -0.34 -0.80 1.33 7.12 -0.25 -0.28 115.31 121.80 1f04 h LEU 70 Ca -0.10 0.10 0.15 0.00 0.13 0.00 0.00 57.88 58.16 1f04 h LEU 70 Cb 1.45 0.22 -0.15 0.00 -0.53 0.00 0.00 40.66 41.65 1f04 h LEU 70 CO 0.13 -0.12 -0.27 0.28 -0.13 0.00 0.00 178.44 178.32 1f04 h SER 71 N -0.02 -0.98 -0.94 1.25 0.02 -0.85 0.30 113.55 112.33 1f04 h SER 71 Ca 0.16 0.25 0.15 0.00 -0.84 0.00 0.00 61.79 61.52 1f04 h SER 71 Cb 0.26 0.57 -0.10 0.00 0.14 0.00 0.00 62.40 63.28 1f04 h SER 71 CO -0.35 -0.28 0.54 0.11 -1.14 0.00 0.00 176.83 175.71 1f04 h LYS 72 N -0.04 0.74 -0.08 3.45 1.57 -1.06 0.35 116.57 121.51 1f04 h LYS 72 Ca 0.35 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 59.10 1f04 h LYS 72 Cb 0.59 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.73 1f04 h LYS 72 CO -0.83 0.49 0.07 1.15 -0.57 0.00 0.00 179.45 179.76 1f04 h THR 73 N 0.77 0.72 -0.12 -0.16 2.02 -0.15 0.10 112.91 116.08 1f04 h THR 73 Ca 0.51 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.69 1f04 h THR 73 Cb 0.68 0.95 0.00 0.00 -1.74 0.00 0.00 68.15 68.04 1f04 h THR 73 CO -0.34 0.00 0.00 0.49 0.37 0.00 0.00 175.52 176.04 1f04 n PHE 74 N -4.15 0.14 -1.95 3.16 3.72 0.11 -4.97 117.46 113.51 1f04 n PHE 74 Ca -0.01 -0.07 -0.41 0.00 -0.05 0.00 0.00 57.45 56.91 1f04 n PHE 74 Cb 0.17 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 -1.86 2.48 -0.57 4.37 2.07 0.02 -2.86 121.20 124.84 1f04 s ILE 75 Ca 0.33 0.41 0.06 0.00 -1.41 0.00 0.00 60.65 60.05 1f04 s ILE 75 Cb 0.20 -3.26 -0.00 0.00 0.13 0.00 0.00 42.46 39.53 1f04 s ILE 75 CO 0.31 0.07 0.49 2.30 -1.91 0.00 0.00 174.94 176.20 1f04 n ILE 76 N 2.06 0.00 0.00 2.00 -5.35 -0.51 -4.90 119.36 112.66 1f04 n ILE 76 Ca 0.06 -0.43 0.00 0.00 -0.27 0.00 0.00 62.75 62.11 1f04 n ILE 76 Cb 0.40 1.07 0.00 0.00 -1.74 0.00 0.00 39.64 39.37 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 0.75 -0.24 3.33 3.28 0.00 -1.25 -4.39 105.19 106.68 1f04 n GLY 77 Ca 0.03 -0.81 -0.17 0.00 0.00 0.00 0.00 46.02 45.06 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 1.43 0.18 1.61 2.02 -1.26 -3.22 118.70 117.46 1f04 s GLU 78 Ca 0.00 -1.77 -0.31 0.00 0.02 0.00 0.00 54.97 52.91 1f04 s GLU 78 Cb 0.00 -0.34 -0.09 0.00 0.10 0.00 0.00 34.13 33.80 1f04 s GLU 78 CO 0.00 -0.27 1.39 -1.17 0.02 0.00 0.00 175.26 175.23 1f04 s LEU 79 N -3.33 4.39 0.37 1.80 2.96 0.60 -0.90 118.68 124.57 1f04 s LEU 79 Ca 0.37 2.45 -0.26 0.00 -0.22 0.00 0.00 54.13 56.47 1f04 s LEU 79 Cb 0.08 -3.60 -0.11 0.00 0.50 0.00 0.00 46.19 43.05 1f04 s LEU 79 CO 0.13 -0.64 1.19 1.57 -1.32 0.00 0.00 176.35 177.29 1f04 n HIS 80 N 3.14 1.88 0.57 5.38 -0.00 0.44 -4.73 115.22 121.91 1f04 n HIS 80 Ca 0.09 0.56 0.06 0.00 -0.00 0.00 0.00 57.72 58.43 1f04 n HIS 80 Cb 0.42 -2.34 0.31 0.00 -0.00 0.00 0.00 29.99 28.37 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 0.34 0.15 0.08 1.57 -0.04 -1.26 -1.72 135.00 134.12 1f04 n PRO 81 Ca 0.07 0.19 -0.00 0.00 -0.04 0.00 0.00 63.50 63.71 1f04 n PRO 81 Cb 0.37 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.29 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 0.08 3.54 3.58 -1.97 -3.36 116.42 118.29 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 0.14 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.19 1f04 h ASP 82 CO 0.00 0.63 -0.04 -0.78 -2.88 0.00 0.00 179.24 176.17 1f04 h ASP 83 N 0.00 -0.09 0.00 2.28 1.82 -1.69 -3.51 116.42 115.22 1f04 h ASP 83 Ca -0.08 -0.50 0.00 0.00 -0.39 0.00 0.00 57.03 56.06 1f04 h ASP 83 Cb 1.55 0.02 0.00 0.00 0.68 0.00 0.00 39.33 41.58 1f04 h ASP 83 CO 0.07 0.51 0.00 -2.11 -1.61 0.00 0.00 179.24 176.10