#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f22 h ASP 2 N 0.00 0.23 -3.93 0.00 5.19 -2.00 -3.46 116.42 112.45 1f22 h ASP 2 Ca 0.00 -0.45 -0.69 0.00 -0.62 0.00 0.00 57.03 55.27 1f22 h ASP 2 Cb 0.00 -0.08 -0.22 0.00 0.18 0.00 0.00 39.33 39.22 1f22 h ASP 2 CO 0.00 1.40 -0.85 0.54 -3.12 0.00 0.00 179.24 177.21 1f22 s VAL 3 N -2.59 2.45 0.28 -1.35 0.11 -1.26 0.13 120.40 118.16 1f22 s VAL 3 Ca -0.12 -1.57 0.07 0.00 -2.93 0.00 0.00 61.98 57.43 1f22 s VAL 3 Cb 0.07 -2.07 -0.06 0.00 -1.53 0.00 0.00 36.38 32.79 1f22 s VAL 3 CO 0.81 0.16 -0.07 -0.69 -3.33 0.00 0.00 175.10 171.99 1f22 s VAL 4 N -1.03 1.70 0.08 2.04 1.01 -0.30 -4.88 120.40 119.03 1f22 s VAL 4 Ca 0.15 -2.14 0.06 0.00 0.00 0.00 0.00 61.98 60.05 1f22 s VAL 4 Cb -0.10 -2.44 -0.03 0.00 0.00 0.00 0.00 36.38 33.81 1f22 s VAL 4 CO 0.06 -0.31 -0.17 0.28 0.00 0.00 0.00 175.10 174.96 1f22 s THR 5 N -2.98 1.36 0.43 3.92 -1.32 -1.26 -0.94 115.64 114.85 1f22 s THR 5 Ca 0.29 -1.39 0.15 0.00 -1.21 0.00 0.00 61.69 59.53 1f22 s THR 5 Cb 0.03 -1.27 0.17 0.00 -1.51 0.00 0.00 72.50 69.92 1f22 s THR 5 CO 0.12 -0.15 1.96 1.88 -2.21 0.00 0.00 174.62 176.22 1f22 h TYR 6 N 4.24 0.00 -3.00 9.09 0.05 -1.95 -3.49 116.97 121.90 1f22 h TYR 6 Ca -0.43 0.00 0.05 0.00 0.05 0.00 0.00 58.73 58.40 1f22 h TYR 6 Cb 1.19 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.90 1f22 h TYR 6 CO 0.62 0.22 -0.65 -0.85 -1.05 0.00 0.00 178.16 176.45 1f22 n GLU 7 N -4.24 -2.47 -3.50 4.88 0.28 -1.26 -5.00 120.64 109.33 1f22 n GLU 7 Ca -0.02 1.94 -0.15 0.00 -0.16 0.00 0.00 57.16 58.77 1f22 n GLU 7 Cb 0.28 -2.69 -0.05 0.00 1.43 0.00 0.00 31.44 30.42 1f22 n GLU 7 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 1f22 s ASN 8 N -5.24 -0.58 0.21 -1.84 0.01 -1.26 -4.81 114.94 101.42 1f22 s ASN 8 Ca 0.00 0.44 -0.05 0.00 -0.71 0.00 0.00 52.86 52.54 1f22 s ASN 8 Cb 0.00 0.52 0.16 0.00 0.41 0.00 0.00 41.25 42.34 1f22 s ASN 8 CO 0.00 -0.68 1.62 0.07 -1.51 0.00 0.00 177.10 176.60 1f22 h LYS 9 N 2.61 0.81 0.27 -0.60 2.10 -2.02 -3.28 116.57 116.45 1f22 h LYS 9 Ca -0.27 -0.33 -0.01 0.00 -2.00 0.00 0.00 60.65 58.04 1f22 h LYS 9 Cb 1.20 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.49 1f22 h LYS 9 CO 0.37 0.95 -0.14 -0.22 -2.00 0.00 0.00 179.45 178.41 1f22 h LYS 10 N 0.71 -0.37 0.00 0.07 1.63 -2.02 -3.47 116.57 113.13 1f22 h LYS 10 Ca 0.10 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.92 1f22 h LYS 10 Cb 0.74 0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.45 1f22 h LYS 10 CO 0.06 -0.24 0.00 0.41 -3.45 0.00 0.00 179.45 176.22 1f22 n GLY 11 N -1.26 2.25 3.74 5.01 0.00 -1.24 -4.92 105.19 108.77 1f22 n GLY 11 Ca -0.09 0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1f22 n GLY 11 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1f22 n ASN 12 N 0.00 3.49 -4.29 1.61 5.03 -1.26 -4.49 115.26 115.35 1f22 n ASN 12 Ca 0.00 1.20 -0.44 0.00 0.87 0.00 0.00 54.58 56.21 1f22 n ASN 12 Cb 0.00 -1.57 -0.07 0.00 -1.02 0.00 0.00 39.78 37.12 1f22 n ASN 12 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1f22 s VAL 13 N -0.83 4.90 0.09 2.41 1.01 -1.26 -1.13 120.40 125.59 1f22 s VAL 13 Ca 0.57 -1.50 -0.30 0.00 0.00 0.00 0.00 61.98 60.75 1f22 s VAL 13 Cb -0.51 -4.12 -0.06 0.00 0.00 0.00 0.00 36.38 31.69 1f22 s VAL 13 CO 0.60 -0.78 1.13 0.28 0.00 0.00 0.00 175.10 176.32 1f22 s THR 14 N 1.54 4.11 -0.04 3.92 -1.32 -1.25 -3.11 115.64 119.48 1f22 s THR 14 Ca 0.04 1.61 -0.01 0.00 -1.21 0.00 0.00 61.69 62.12 1f22 s THR 14 Cb -0.28 -4.03 0.03 0.00 -1.51 0.00 0.00 72.50 66.71 1f22 s THR 14 CO 0.03 0.18 0.03 0.72 -2.21 0.00 0.00 174.62 173.37 1f22 s PHE 15 N 0.58 0.27 0.48 9.09 -0.71 -0.11 -4.96 117.98 122.60 1f22 s PHE 15 Ca 0.54 0.08 -0.23 0.00 -1.04 0.00 0.00 56.93 56.29 1f22 s PHE 15 Cb -0.28 -0.52 -0.07 0.00 -1.21 0.00 0.00 43.02 40.94 1f22 s PHE 15 CO 0.31 -0.20 1.21 0.34 -1.34 0.00 0.00 175.22 175.54 1f22 s ASP 16 N 1.77 5.98 -0.08 1.98 -1.08 -1.26 -1.15 116.67 122.83 1f22 s ASP 16 Ca 0.00 2.41 -0.10 0.00 -0.52 0.00 0.00 52.55 54.34 1f22 s ASP 16 Cb -0.12 -2.61 -0.03 0.00 -1.46 0.00 0.00 42.92 38.69 1f22 s ASP 16 CO -0.03 -1.05 -0.19 1.57 0.52 0.00 0.00 175.17 175.98 1f22 n HIS 17 N -0.58 0.00 -0.23 -5.34 -0.00 0.12 -4.14 115.22 105.04 1f22 n HIS 17 Ca 0.08 0.00 -0.03 0.00 0.46 0.00 0.00 57.72 58.23 1f22 n HIS 17 Cb 0.47 -0.28 0.03 0.00 -0.12 0.00 0.00 29.99 30.09 1f22 n HIS 17 CO 0.00 0.00 0.00 -0.22 0.46 0.00 0.00 176.34 176.58 1f22 h LYS 18 N -0.56 -0.11 0.60 1.57 3.11 -1.54 0.17 116.57 119.81 1f22 h LYS 18 Ca 0.00 0.01 -0.02 0.00 -2.81 0.00 0.00 60.65 57.83 1f22 h LYS 18 Cb 0.56 0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.80 1f22 h LYS 18 CO 0.00 -0.07 -0.44 0.00 -2.81 0.00 0.00 179.45 176.13 1f22 h ALA 19 N 1.20 -1.07 -0.98 5.00 0.00 -1.82 0.15 119.26 121.75 1f22 h ALA 19 Ca 0.27 -0.20 0.15 0.00 0.00 0.00 0.00 54.91 55.13 1f22 h ALA 19 Cb 0.55 0.59 -0.09 0.00 0.00 0.00 0.00 17.79 18.84 1f22 h ALA 19 CO -0.73 -1.13 0.62 0.45 0.00 0.00 0.00 179.25 178.47 1f22 h HIS 20 N -1.01 1.05 0.54 0.00 3.86 -1.62 0.96 115.15 118.94 1f22 h HIS 20 Ca -0.07 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.14 1f22 h HIS 20 Cb 0.84 -0.33 0.01 0.00 1.06 0.00 0.00 27.41 28.99 1f22 h HIS 20 CO -0.16 0.35 -0.26 0.00 0.86 0.00 0.00 177.93 178.72 1f22 h ALA 21 N 1.58 -0.73 -0.38 2.45 0.00 -0.03 0.40 119.26 122.56 1f22 h ALA 21 Ca 0.51 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 55.13 1f22 h ALA 21 Cb 0.68 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1f22 h ALA 21 CO -0.29 -0.87 -0.21 1.05 0.00 0.00 0.00 179.25 178.93 1f22 h GLU 22 N -0.81 0.82 -0.09 0.00 4.11 -0.09 0.72 114.58 119.24 1f22 h GLU 22 Ca -0.07 -0.37 -0.00 0.00 0.07 0.00 0.00 59.36 58.99 1f22 h GLU 22 Cb 0.59 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.82 1f22 h GLU 22 CO 0.12 1.00 0.05 0.87 0.07 0.00 0.00 179.01 181.13 1f22 h LYS 23 N 0.62 0.12 0.00 1.06 1.79 -0.87 -3.39 116.57 115.89 1f22 h LYS 23 Ca 0.08 -0.01 -0.10 0.00 -2.18 0.00 0.00 60.65 58.44 1f22 h LYS 23 Cb 0.77 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.38 1f22 h LYS 23 CO 0.06 0.12 -1.27 1.28 -1.08 0.00 0.00 179.45 178.56 1f22 n LEU 24 N -5.00 1.93 0.00 2.94 4.77 0.13 -5.08 117.00 116.69 1f22 n LEU 24 Ca -0.05 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 1f22 n LEU 24 Cb 0.05 -0.78 0.00 0.00 -2.33 0.00 0.00 43.42 40.36 1f22 n LEU 24 CO 0.33 -0.11 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 1f22 n GLY 25 N 1.43 -0.52 0.00 -0.72 0.00 0.25 -4.89 105.19 100.75 1f22 n GLY 25 Ca -0.22 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1f22 n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f22 n ASP 27 N 0.00 -0.05 -0.43 0.00 5.75 -1.26 -0.49 116.55 120.07 1f22 n ASP 27 Ca 0.00 0.97 0.37 0.00 -0.01 0.00 0.00 54.79 56.13 1f22 n ASP 27 Cb 0.00 -0.36 0.65 0.00 -1.03 0.00 0.00 41.12 40.38 1f22 n ASP 27 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1f22 h ALA 28 N 1.15 2.64 0.00 2.12 0.00 -1.92 -3.12 119.26 120.14 1f22 h ALA 28 Ca 0.36 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.42 1f22 h ALA 28 Cb 0.75 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1f22 h ALA 28 CO -0.54 -1.34 -0.97 0.00 0.00 0.00 0.00 179.25 176.40 1f22 n HIS 30 N -2.84 3.28 0.07 0.00 8.25 0.36 -4.70 115.22 119.65 1f22 n HIS 30 Ca 0.00 -2.93 -0.03 0.00 -0.26 0.00 0.00 57.72 54.49 1f22 n HIS 30 Cb 0.49 -1.73 -0.02 0.00 1.12 0.00 0.00 29.99 29.85 1f22 n HIS 30 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 1f22 h GLU 31 N 5.95 -0.21 -2.00 -0.41 5.08 -1.83 -3.39 114.58 117.77 1f22 h GLU 31 Ca 0.29 0.01 -0.24 0.00 -1.00 0.00 0.00 59.36 58.43 1f22 h GLU 31 Cb 0.69 0.05 -0.09 0.00 0.50 0.00 0.00 28.75 29.90 1f22 h GLU 31 CO 1.40 -0.14 -0.25 0.41 -1.00 0.00 0.00 179.01 179.44 1f22 n GLY 32 N 0.49 3.22 0.85 -3.84 0.00 -1.26 -4.84 105.19 99.82 1f22 n GLY 32 Ca -0.03 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.67 1f22 n GLY 32 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1f22 n THR 33 N 2.24 -3.19 -0.86 2.61 -1.04 -1.26 -4.70 114.28 108.08 1f22 n THR 33 Ca 0.44 1.22 -0.10 0.00 -2.04 0.00 0.00 64.05 63.57 1f22 n THR 33 Cb 0.86 -2.08 -0.14 0.00 -1.82 0.00 0.00 70.33 67.15 1f22 n THR 33 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1f22 n PRO 34 N -0.14 1.73 -1.34 -2.82 -0.04 -1.26 -4.60 135.00 126.53 1f22 n PRO 34 Ca 0.00 -0.85 -0.29 0.00 -0.04 0.00 0.00 63.50 62.32 1f22 n PRO 34 Cb 0.00 -1.91 -0.08 0.00 -0.04 0.00 0.00 33.50 31.48 1f22 n PRO 34 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1f22 n ALA 35 N 2.52 6.93 -1.16 0.55 0.00 -1.26 -4.88 120.51 123.21 1f22 n ALA 35 Ca 0.36 -3.00 0.15 0.00 0.00 0.00 0.00 53.44 50.95 1f22 n ALA 35 Cb 0.80 -2.79 -0.07 0.00 0.00 0.00 0.00 19.45 17.39 1f22 n ALA 35 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1f22 n LYS 36 N 2.61 -2.60 0.00 0.00 5.02 -1.26 -5.04 118.16 116.89 1f22 n LYS 36 Ca 0.61 2.03 0.00 0.00 -2.02 0.00 0.00 58.31 58.93 1f22 n LYS 36 Cb 0.50 -3.07 0.00 0.00 -0.02 0.00 0.00 35.03 32.44 1f22 n LYS 36 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1f22 n ILE 37 N -3.93 0.00 0.00 -0.18 2.08 -1.26 -5.03 119.36 111.04 1f22 n ILE 37 Ca -0.05 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.26 1f22 n ILE 37 Cb 0.55 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.44 1f22 n ILE 37 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1f22 n ALA 38 N -3.00 0.00 -2.27 -1.39 0.00 -1.26 -5.13 120.51 107.46 1f22 n ALA 38 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1f22 n ALA 38 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 1f22 n ALA 38 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1f22 s ILE 39 N 0.00 3.98 0.46 0.00 -1.09 -1.26 -4.99 121.20 118.30 1f22 s ILE 39 Ca 0.00 1.15 0.07 0.00 -2.23 0.00 0.00 60.65 59.64 1f22 s ILE 39 Cb 0.00 -3.86 0.01 0.00 -1.58 0.00 0.00 42.46 37.02 1f22 s ILE 39 CO 0.00 -0.24 0.44 1.51 -1.23 0.00 0.00 174.94 175.43 1f22 s ASP 40 N 2.96 4.99 0.22 3.58 -4.77 -1.26 -4.90 116.67 117.50 1f22 s ASP 40 Ca 0.63 -0.85 -0.16 0.00 -3.30 0.00 0.00 52.55 48.87 1f22 s ASP 40 Cb -0.23 -0.26 0.25 0.00 -1.09 0.00 0.00 42.92 41.59 1f22 s ASP 40 CO 0.23 -0.84 1.58 0.07 0.70 0.00 0.00 175.17 176.91 1f22 h LYS 41 N 0.85 -0.05 0.03 2.11 2.10 -1.98 0.22 116.57 119.85 1f22 h LYS 41 Ca -0.39 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.26 1f22 h LYS 41 Cb 1.28 0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 32.62 1f22 h LYS 41 CO 0.55 -0.04 -0.05 0.87 -2.00 0.00 0.00 179.45 178.78 1f22 h LYS 42 N -0.06 -0.08 -0.26 0.07 1.57 -1.97 -1.00 116.57 114.84 1f22 h LYS 42 Ca 0.33 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 59.16 1f22 h LYS 42 Cb 0.59 0.02 -0.08 0.00 0.08 0.00 0.00 32.23 32.84 1f22 h LYS 42 CO -0.83 -0.05 -0.50 0.77 -0.57 0.00 0.00 179.45 178.27 1f22 h SER 43 N -0.08 -1.62 -0.51 0.86 0.02 -1.74 0.36 113.55 110.84 1f22 h SER 43 Ca -0.00 0.21 0.05 0.00 -0.84 0.00 0.00 61.79 61.21 1f22 h SER 43 Cb 0.08 0.66 -0.07 0.00 0.14 0.00 0.00 62.40 63.20 1f22 h SER 43 CO -0.01 -0.43 -0.42 0.00 -1.14 0.00 0.00 176.83 174.83 1f22 h ALA 44 N 0.00 -0.53 0.00 3.77 0.00 -0.63 -0.77 119.26 121.10 1f22 h ALA 44 Ca 0.07 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1f22 h ALA 44 Cb 0.63 1.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.57 1f22 h ALA 44 CO -0.50 -0.78 -0.04 0.45 0.00 0.00 0.00 179.25 178.38 1f22 h HIS 45 N -0.15 0.00 0.00 0.00 3.86 -0.82 -0.58 115.15 117.46 1f22 h HIS 45 Ca 0.08 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.29 1f22 h HIS 45 Cb 0.37 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.84 1f22 h HIS 45 CO -0.85 0.04 0.00 1.17 0.86 0.00 0.00 177.93 179.15 1f22 n LYS 46 N -3.11 0.00 -2.94 2.45 0.00 0.12 -4.63 118.16 110.05 1f22 n LYS 46 Ca 0.04 0.20 -0.12 0.00 0.00 0.00 0.00 58.31 58.43 1f22 n LYS 46 Cb 0.55 -0.67 -0.02 0.00 0.00 0.00 0.00 35.03 34.89 1f22 n LYS 46 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1f22 n ASP 47 N -1.25 -2.34 0.11 3.14 8.00 -0.39 -4.74 116.55 119.08 1f22 n ASP 47 Ca 0.00 -2.85 0.00 0.00 0.71 0.00 0.00 54.79 52.65 1f22 n ASP 47 Cb 0.00 1.02 0.00 0.00 -0.02 0.00 0.00 41.12 42.12 1f22 n ASP 47 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1f22 n ALA 48 N 2.52 1.91 -0.11 2.24 0.00 -0.64 -4.82 120.51 121.62 1f22 n ALA 48 Ca 0.19 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.43 1f22 n ALA 48 Cb 0.55 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.91 1f22 n ALA 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1f22 n LYS 50 N -4.41 1.44 0.00 0.00 4.81 -0.32 -3.14 118.16 116.54 1f22 n LYS 50 Ca -0.34 -0.51 0.00 0.00 -0.87 0.00 0.00 58.31 56.60 1f22 n LYS 50 Cb 0.67 -1.54 0.00 0.00 0.02 0.00 0.00 35.03 34.18 1f22 n LYS 50 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1f22 n THR 51 N 2.07 0.00 0.38 3.15 -1.04 -1.26 -4.83 114.28 112.75 1f22 n THR 51 Ca 0.22 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 62.08 1f22 n THR 51 Cb 0.68 -0.02 -0.07 0.00 -1.82 0.00 0.00 70.33 69.09 1f22 n THR 51 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1f22 n HIS 53 N -5.27 0.00 -0.17 0.00 8.25 -1.24 -4.56 115.22 112.22 1f22 n HIS 53 Ca -0.12 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.33 1f22 n HIS 53 Cb 0.39 -0.03 0.01 0.00 1.12 0.00 0.00 29.99 31.48 1f22 n HIS 53 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1f22 n LYS 54 N -0.09 -0.11 -1.31 -0.41 4.76 -1.26 -0.78 118.16 118.96 1f22 n LYS 54 Ca 0.00 0.69 0.02 0.00 -2.87 0.00 0.00 58.31 56.15 1f22 n LYS 54 Cb 0.08 -1.02 0.10 0.00 -1.84 0.00 0.00 35.03 32.35 1f22 n LYS 54 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1f22 n SER 55 N -4.65 1.65 -0.12 4.39 2.88 -1.26 -4.83 113.62 111.67 1f22 n SER 55 Ca 0.04 -2.89 -0.26 0.00 -1.33 0.00 0.00 58.87 54.43 1f22 n SER 55 Cb 0.18 -0.41 -0.11 0.00 -0.75 0.00 0.00 64.21 63.12 1f22 n SER 55 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1f22 n ASN 56 N -0.33 1.91 -4.40 -3.46 4.13 0.04 -4.99 115.26 108.16 1f22 n ASN 56 Ca 0.14 0.38 -0.24 0.00 1.68 0.00 0.00 54.58 56.54 1f22 n ASN 56 Cb 0.92 -0.89 -0.11 0.00 -1.54 0.00 0.00 39.78 38.16 1f22 n ASN 56 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 1f22 s ASN 57 N -7.18 3.14 -0.02 6.41 2.47 -1.22 -5.11 114.94 113.44 1f22 s ASN 57 Ca -0.34 -0.91 -0.08 0.00 0.42 0.00 0.00 52.86 51.95 1f22 s ASN 57 Cb 0.10 -0.22 -0.05 0.00 -1.45 0.00 0.00 41.25 39.64 1f22 s ASN 57 CO 0.54 0.03 0.54 1.23 -3.72 0.00 0.00 177.10 175.72 1f22 h GLY 58 N 2.96 -0.31 -7.19 1.21 0.00 -1.94 -3.40 103.07 94.40 1f22 h GLY 58 Ca -0.43 0.12 -0.11 0.00 0.00 0.00 0.00 47.33 46.91 1f22 h GLY 58 CO 0.53 -0.11 0.35 -1.55 0.00 0.00 0.00 176.54 175.76 1f22 n PRO 59 N -3.66 0.56 0.05 4.80 -0.04 -1.26 -4.64 135.00 130.80 1f22 n PRO 59 Ca -0.04 -1.94 -0.22 0.00 -0.04 0.00 0.00 63.50 61.27 1f22 n PRO 59 Cb 0.12 -3.87 -0.14 0.00 -0.04 0.00 0.00 33.50 29.56 1f22 n PRO 59 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1f22 h THR 60 N 6.50 0.83 0.00 0.52 1.35 -1.96 -1.96 112.91 118.20 1f22 h THR 60 Ca 0.07 -2.47 0.00 0.00 -0.55 0.00 0.00 66.41 63.46 1f22 h THR 60 Cb 0.98 2.66 0.00 0.00 -1.73 0.00 0.00 68.15 70.06 1f22 h THR 60 CO 1.08 0.87 0.00 0.29 -0.25 0.00 0.00 175.52 177.51 1f22 n LYS 61 N -3.53 0.00 -4.58 4.72 5.02 -1.26 -4.90 118.16 113.63 1f22 n LYS 61 Ca -0.27 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 55.76 1f22 n LYS 61 Cb 1.06 -0.71 -0.11 0.00 -0.02 0.00 0.00 35.03 35.25 1f22 n LYS 61 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1f22 n GLY 63 N -0.90 2.92 0.36 0.00 0.00 -1.26 -4.65 105.19 101.66 1f22 n GLY 63 Ca -0.05 -0.03 0.15 0.00 0.00 0.00 0.00 46.02 46.09 1f22 n GLY 63 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1f22 h GLY 64 N 0.00 1.66 0.00 -0.02 0.00 -1.66 -3.39 103.07 99.66 1f22 h GLY 64 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.01 1f22 h GLY 64 CO 0.00 -0.09 -0.18 0.00 0.00 0.00 0.00 176.54 176.27 1f22 s HIS 66 N -2.00 1.52 -0.93 0.00 3.76 -1.26 -3.92 115.29 112.46 1f22 s HIS 66 Ca 0.00 0.07 -0.24 0.00 -0.15 0.00 0.00 55.06 54.74 1f22 s HIS 66 Cb 0.00 -4.07 0.01 0.00 1.11 0.00 0.00 32.58 29.62 1f22 s HIS 66 CO 0.00 -4.44 1.66 0.42 -0.85 0.00 0.00 174.74 171.53 1f22 s ILE 67 N 5.46 3.68 0.00 0.60 -1.09 -0.28 -4.58 121.20 124.98 1f22 s ILE 67 Ca 0.86 -0.46 0.00 0.00 -2.23 0.00 0.00 60.65 58.81 1f22 s ILE 67 Cb -0.35 -4.56 0.00 0.00 -1.58 0.00 0.00 42.46 35.97 1f22 s ILE 67 CO 0.36 -1.47 0.00 1.17 -1.23 0.00 0.00 174.94 173.77