#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f22 n ASP 2 N 0.00 0.00 -3.89 0.00 -0.08 -1.26 -3.97 116.55 107.35 1f22 n ASP 2 Ca 0.00 0.00 -0.21 0.00 -1.51 0.00 0.00 54.79 53.07 1f22 n ASP 2 Cb 0.00 0.00 -0.17 0.00 2.34 0.00 0.00 41.12 43.29 1f22 n ASP 2 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 1f22 s VAL 3 N 0.00 0.58 0.23 5.18 -7.23 -1.26 -0.76 120.40 117.13 1f22 s VAL 3 Ca 0.00 -0.13 0.03 0.00 -1.81 0.00 0.00 61.98 60.07 1f22 s VAL 3 Cb 0.00 -0.61 -0.05 0.00 0.56 0.00 0.00 36.38 36.28 1f22 s VAL 3 CO 0.00 0.24 0.02 -0.69 -0.31 0.00 0.00 175.10 174.36 1f22 s VAL 4 N 1.05 0.89 0.03 1.32 1.01 -0.93 -4.96 120.40 118.80 1f22 s VAL 4 Ca -0.09 -2.02 0.07 0.00 0.00 0.00 0.00 61.98 59.94 1f22 s VAL 4 Cb -0.14 -2.36 -0.02 0.00 0.00 0.00 0.00 36.38 33.86 1f22 s VAL 4 CO -0.01 -0.30 -0.20 0.28 0.00 0.00 0.00 175.10 174.87 1f22 s THR 5 N -3.52 1.63 -1.12 3.92 -1.32 -1.26 -0.55 115.64 113.42 1f22 s THR 5 Ca 0.29 -1.10 -0.22 0.00 -1.21 0.00 0.00 61.69 59.45 1f22 s THR 5 Cb 0.06 -1.40 -0.02 0.00 -1.51 0.00 0.00 72.50 69.63 1f22 s THR 5 CO 0.09 0.26 1.81 -0.31 -2.21 0.00 0.00 174.62 174.26 1f22 s TYR 6 N -0.71 2.22 0.06 9.09 2.02 -0.03 -4.87 117.35 125.11 1f22 s TYR 6 Ca 0.07 -0.22 -0.33 0.00 -0.37 0.00 0.00 57.07 56.22 1f22 s TYR 6 Cb -0.08 -4.31 -0.12 0.00 -0.40 0.00 0.00 41.96 37.04 1f22 s TYR 6 CO 0.01 -1.59 1.75 -0.85 -1.57 0.00 0.00 175.55 173.29 1f22 n GLU 7 N 8.54 2.28 -3.60 -0.62 0.28 -1.26 -2.35 120.64 123.91 1f22 n GLU 7 Ca 0.43 0.83 -0.09 0.00 -0.16 0.00 0.00 57.16 58.17 1f22 n GLU 7 Cb 0.47 -2.65 -0.02 0.00 1.43 0.00 0.00 31.44 30.67 1f22 n GLU 7 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1f22 s ASN 8 N 2.51 -0.40 0.39 -1.84 2.20 -1.26 -4.93 114.94 111.61 1f22 s ASN 8 Ca 0.85 -0.23 0.21 0.00 -0.94 0.00 0.00 52.86 52.74 1f22 s ASN 8 Cb -0.65 0.60 0.64 0.00 -2.00 0.00 0.00 41.25 39.84 1f22 s ASN 8 CO 0.43 -1.03 1.70 0.50 -2.94 0.00 0.00 177.10 175.77 1f22 h LYS 9 N 2.00 0.00 0.02 3.55 1.63 -1.93 -1.54 116.57 120.30 1f22 h LYS 9 Ca -0.27 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.53 1f22 h LYS 9 Cb 1.27 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.90 1f22 h LYS 9 CO 0.31 0.32 -0.01 0.87 -3.45 0.00 0.00 179.45 177.49 1f22 h LYS 10 N 0.00 -0.03 0.00 1.90 1.79 -1.97 -3.45 116.57 114.81 1f22 h LYS 10 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1f22 h LYS 10 Cb 0.95 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.60 1f22 h LYS 10 CO 0.04 0.28 0.00 0.41 -1.08 0.00 0.00 179.45 179.10 1f22 n GLY 11 N -0.28 -0.23 4.84 3.86 0.00 -1.19 -4.87 105.19 107.33 1f22 n GLY 11 Ca -0.08 0.08 0.07 0.00 0.00 0.00 0.00 46.02 46.09 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 -6.74 -3.20 1.61 5.03 -0.59 -2.81 115.26 108.57 1f22 n ASN 12 Ca 0.00 0.58 0.01 0.00 0.87 0.00 0.00 54.58 56.04 1f22 n ASN 12 Cb 0.00 -1.65 -0.02 0.00 -1.02 0.00 0.00 39.78 37.09 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 -0.84 -0.90 0.51 2.41 1.01 -0.99 -4.26 120.40 117.33 1f22 s VAL 13 Ca 0.00 -0.04 -0.22 0.00 0.00 0.00 0.00 61.98 61.72 1f22 s VAL 13 Cb 0.00 -0.97 -0.06 0.00 0.00 0.00 0.00 36.38 35.35 1f22 s VAL 13 CO 0.00 -0.05 1.21 -0.89 0.00 0.00 0.00 175.10 175.37 1f22 s THR 14 N 2.77 2.80 -0.08 3.92 2.01 -1.26 -0.85 115.64 124.96 1f22 s THR 14 Ca 0.15 0.58 -0.03 0.00 0.31 0.00 0.00 61.69 62.70 1f22 s THR 14 Cb -0.13 -3.28 0.04 0.00 0.01 0.00 0.00 72.50 69.14 1f22 s THR 14 CO -0.23 -0.03 0.16 0.72 -0.69 0.00 0.00 174.62 174.55 1f22 s PHE 15 N -1.52 -0.19 -0.96 4.92 -0.71 0.29 -4.93 117.98 114.89 1f22 s PHE 15 Ca 0.68 0.57 -0.21 0.00 -1.04 0.00 0.00 56.93 56.93 1f22 s PHE 15 Cb -0.31 -0.14 0.08 0.00 -1.21 0.00 0.00 43.02 41.44 1f22 s PHE 15 CO 0.37 -0.22 1.29 0.34 -1.34 0.00 0.00 175.22 175.66 1f22 s ASP 16 N 1.66 6.53 0.08 1.98 -1.08 -1.26 -2.19 116.67 122.39 1f22 s ASP 16 Ca -0.04 -1.66 -0.32 0.00 -0.52 0.00 0.00 52.55 50.02 1f22 s ASP 16 Cb -0.12 -2.49 -0.16 0.00 -1.46 0.00 0.00 42.92 38.70 1f22 s ASP 16 CO -0.06 -1.33 1.62 -0.74 0.52 0.00 0.00 175.17 175.19 1f22 h HIS 17 N 9.39 -0.87 -0.10 -5.34 -0.00 -1.28 -0.84 115.15 116.10 1f22 h HIS 17 Ca 0.15 -0.01 0.04 0.00 -0.00 0.00 0.00 60.37 60.56 1f22 h HIS 17 Cb 1.02 0.32 -0.06 0.00 -0.00 0.00 0.00 27.41 28.69 1f22 h HIS 17 CO 1.22 -0.49 -0.27 -0.22 -0.00 0.00 0.00 177.93 178.17 1f22 h LYS 18 N -0.78 -0.34 0.30 5.26 3.64 -1.28 0.18 116.57 123.54 1f22 h LYS 18 Ca -0.05 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1f22 h LYS 18 Cb 0.65 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.51 1f22 h LYS 18 CO 0.03 -0.23 -0.48 0.00 -2.27 0.00 0.00 179.45 176.50 1f22 h ALA 19 N 0.53 -0.98 -1.00 5.00 0.00 -1.77 0.68 119.26 121.73 1f22 h ALA 19 Ca 0.09 -0.14 0.17 0.00 0.00 0.00 0.00 54.91 55.03 1f22 h ALA 19 Cb 0.49 0.76 -0.10 0.00 0.00 0.00 0.00 17.79 18.94 1f22 h ALA 19 CO -0.30 -1.11 0.62 0.45 0.00 0.00 0.00 179.25 178.91 1f22 h HIS 20 N -0.84 1.08 0.81 0.00 3.86 -0.90 0.12 115.15 119.29 1f22 h HIS 20 Ca -0.02 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.18 1f22 h HIS 20 Cb 0.79 -0.33 0.00 0.00 1.06 0.00 0.00 27.41 28.93 1f22 h HIS 20 CO -0.33 0.30 -0.41 0.00 0.86 0.00 0.00 177.93 178.35 1f22 h ALA 21 N 1.61 -1.13 -0.10 2.45 0.00 0.49 0.06 119.26 122.64 1f22 h ALA 21 Ca 0.55 -0.24 -0.23 0.00 0.00 0.00 0.00 54.91 54.99 1f22 h ALA 21 Cb 0.78 0.47 0.01 0.00 0.00 0.00 0.00 17.79 19.05 1f22 h ALA 21 CO -0.34 -1.14 -0.85 1.05 0.00 0.00 0.00 179.25 177.97 1f22 h GLU 22 N -1.12 0.72 0.00 0.00 4.11 -0.19 0.72 114.58 118.82 1f22 h GLU 22 Ca -0.11 -0.64 0.03 0.00 0.07 0.00 0.00 59.36 58.71 1f22 h GLU 22 Cb 0.87 0.15 -0.03 0.00 0.50 0.00 0.00 28.75 30.23 1f22 h GLU 22 CO 0.16 1.24 -0.18 0.87 0.07 0.00 0.00 179.01 181.18 1f22 h LYS 23 N 0.47 -0.28 0.00 1.06 1.79 -0.84 -3.37 116.57 115.40 1f22 h LYS 23 Ca -0.07 0.02 -0.28 0.00 -2.18 0.00 0.00 60.65 58.13 1f22 h LYS 23 Cb 1.48 0.06 -0.04 0.00 -1.58 0.00 0.00 32.23 32.15 1f22 h LYS 23 CO 0.17 -0.19 -1.60 1.28 -1.08 0.00 0.00 179.45 178.03 1f22 n LEU 24 N -5.31 1.89 0.00 2.94 4.77 0.01 -5.07 117.00 116.23 1f22 n LEU 24 Ca -0.05 0.41 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 1f22 n LEU 24 Cb 0.22 -0.91 0.00 0.00 -2.33 0.00 0.00 43.42 40.40 1f22 n LEU 24 CO 0.25 0.31 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 1f22 n GLY 25 N 1.39 0.59 0.00 -0.72 0.00 0.25 -4.86 105.19 101.84 1f22 n GLY 25 Ca -0.37 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.60 1f22 n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f22 h ASP 27 N 0.00 0.71 -0.99 0.00 5.19 -1.90 0.10 116.42 119.53 1f22 h ASP 27 Ca 0.00 0.12 0.40 0.00 -0.62 0.00 0.00 57.03 56.93 1f22 h ASP 27 Cb 0.00 0.01 -0.18 0.00 0.18 0.00 0.00 39.33 39.34 1f22 h ASP 27 CO 0.00 0.16 0.46 0.00 -3.12 0.00 0.00 179.24 176.74 1f22 n ALA 28 N -2.32 0.95 0.00 3.45 0.00 -1.26 -3.57 120.51 117.76 1f22 n ALA 28 Ca 0.26 1.02 0.00 0.00 0.00 0.00 0.00 53.44 54.72 1f22 n ALA 28 Cb 0.69 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 19.16 1f22 n ALA 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1f22 s HIS 30 N -1.87 3.91 -0.04 0.00 3.76 0.15 -4.85 115.29 116.34 1f22 s HIS 30 Ca 0.00 -2.94 -0.07 0.00 -0.15 0.00 0.00 55.06 51.91 1f22 s HIS 30 Cb 0.00 -3.33 -0.04 0.00 1.11 0.00 0.00 32.58 30.32 1f22 s HIS 30 CO 0.00 -0.78 0.34 0.93 -0.85 0.00 0.00 174.74 174.38 1f22 h GLU 31 N 6.22 -0.23 0.16 1.40 5.08 -1.83 -3.40 114.58 121.98 1f22 h GLU 31 Ca 0.15 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 1f22 h GLU 31 Cb 0.84 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1f22 h GLU 31 CO 0.86 -0.15 -0.08 0.78 -1.00 0.00 0.00 179.01 179.42 1f22 h GLY 32 N -0.77 -0.22 -5.40 -3.84 0.00 -1.96 -3.48 103.07 87.40 1f22 h GLY 32 Ca -0.02 0.08 0.05 0.00 0.00 0.00 0.00 47.33 47.44 1f22 h GLY 32 CO 0.04 -0.08 0.37 -1.08 0.00 0.00 0.00 176.54 175.78 1f22 s THR 33 N -2.78 0.00 -0.79 4.70 -1.32 -1.26 -5.05 115.64 109.14 1f22 s THR 33 Ca -0.03 0.00 -0.07 0.00 -1.21 0.00 0.00 61.69 60.37 1f22 s THR 33 Cb 0.00 -1.00 -0.15 0.00 -1.51 0.00 0.00 72.50 69.85 1f22 s THR 33 CO 0.09 0.00 3.21 -0.81 -2.21 0.00 0.00 174.62 174.91 1f22 n PRO 34 N 2.67 2.91 -0.84 7.08 -0.04 -1.26 -4.61 135.00 140.90 1f22 n PRO 34 Ca -0.14 -1.76 -0.08 0.00 -0.04 0.00 0.00 63.50 61.48 1f22 n PRO 34 Cb 0.56 -2.38 -0.10 0.00 -0.04 0.00 0.00 33.50 31.54 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 2.77 5.54 -0.41 0.55 0.00 -1.26 -4.93 120.51 122.78 1f22 n ALA 35 Ca 0.59 -1.23 0.05 0.00 0.00 0.00 0.00 53.44 52.85 1f22 n ALA 35 Cb 0.57 -1.84 -0.01 0.00 0.00 0.00 0.00 19.45 18.16 1f22 n ALA 35 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1f22 n LYS 36 N 2.06 -0.78 0.00 0.00 2.85 -1.26 -4.96 118.16 116.07 1f22 n LYS 36 Ca 0.28 0.51 0.00 0.00 -1.05 0.00 0.00 58.31 58.05 1f22 n LYS 36 Cb 0.76 -0.95 0.00 0.00 -0.65 0.00 0.00 35.03 34.19 1f22 n LYS 36 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 1f22 n ILE 37 N -1.51 0.00 -3.47 0.58 5.41 -1.26 -5.06 119.36 114.06 1f22 n ILE 37 Ca 0.00 0.00 -0.18 0.00 1.00 0.00 0.00 62.75 63.57 1f22 n ILE 37 Cb 0.18 -0.71 0.08 0.00 -0.71 0.00 0.00 39.64 38.48 1f22 n ILE 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1f22 n ALA 38 N -2.46 -2.09 -1.81 -1.39 0.00 -1.26 -4.93 120.51 106.56 1f22 n ALA 38 Ca 0.00 -0.06 -0.42 0.00 0.00 0.00 0.00 53.44 52.96 1f22 n ALA 38 Cb 0.32 -2.77 -0.03 0.00 0.00 0.00 0.00 19.45 16.97 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 -3.43 3.00 0.00 0.00 -1.09 -1.26 -4.96 121.20 113.45 1f22 s ILE 39 Ca 0.07 0.28 0.00 0.00 -2.23 0.00 0.00 60.65 58.77 1f22 s ILE 39 Cb -0.01 -3.18 0.00 0.00 -1.58 0.00 0.00 42.46 37.69 1f22 s ILE 39 CO 0.75 -0.01 0.00 -0.90 -1.23 0.00 0.00 174.94 173.55 1f22 n ASP 40 N 6.43 0.00 0.00 3.58 5.75 -1.26 -4.86 116.55 126.19 1f22 n ASP 40 Ca 0.18 -0.75 0.00 0.00 -0.01 0.00 0.00 54.79 54.21 1f22 n ASP 40 Cb 0.40 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.49 1f22 n ASP 40 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 1f22 n LYS 41 N 0.00 0.00 0.00 0.11 2.85 -1.26 -0.94 118.16 118.92 1f22 n LYS 41 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1f22 n LYS 41 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1f22 n LYS 41 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1f22 n LYS 42 N 0.00 0.00 -0.09 -1.58 5.02 -1.26 -4.71 118.16 115.55 1f22 n LYS 42 Ca 0.00 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.23 1f22 n LYS 42 Cb 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1f22 n LYS 42 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 1f22 h SER 43 N 0.00 -0.46 -0.89 4.39 0.02 -1.72 0.29 113.55 115.19 1f22 h SER 43 Ca 0.00 0.12 0.10 0.00 -0.84 0.00 0.00 61.79 61.17 1f22 h SER 43 Cb 0.00 0.26 -0.12 0.00 0.14 0.00 0.00 62.40 62.68 1f22 h SER 43 CO 0.00 -0.17 -0.45 0.00 -1.14 0.00 0.00 176.83 175.08 1f22 n ALA 44 N -2.69 -0.37 0.06 3.77 0.00 -0.12 -1.00 120.51 120.15 1f22 n ALA 44 Ca 0.01 0.81 -0.09 0.00 0.00 0.00 0.00 53.44 54.17 1f22 n ALA 44 Cb 0.23 -0.24 -0.13 0.00 0.00 0.00 0.00 19.45 19.31 1f22 n ALA 44 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1f22 h HIS 45 N 0.00 0.09 0.24 0.00 -0.00 -1.61 0.21 115.15 114.08 1f22 h HIS 45 Ca 0.21 -0.07 -0.01 0.00 -0.00 0.00 0.00 60.37 60.50 1f22 h HIS 45 Cb 0.44 -0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.84 1f22 h HIS 45 CO -0.86 1.06 -0.11 -0.22 -0.00 0.00 0.00 177.93 177.80 1f22 h LYS 46 N 0.01 -0.31 0.00 2.45 3.11 0.78 -3.39 116.57 119.22 1f22 h LYS 46 Ca -0.07 0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.79 1f22 h LYS 46 Cb 1.84 0.07 0.00 0.00 -1.00 0.00 0.00 32.23 33.14 1f22 h LYS 46 CO 0.14 -0.20 -0.14 -0.40 -2.81 0.00 0.00 179.45 176.03 1f22 n ASP 47 N -4.56 0.70 0.00 4.20 5.68 -0.27 -4.83 116.55 117.47 1f22 n ASP 47 Ca -0.04 -0.14 0.00 0.00 -0.50 0.00 0.00 54.79 54.11 1f22 n ASP 47 Cb 0.13 0.41 0.00 0.00 -1.14 0.00 0.00 41.12 40.52 1f22 n ASP 47 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1f22 n ALA 48 N -0.48 -0.10 -0.12 2.12 0.00 -0.17 -4.71 120.51 117.03 1f22 n ALA 48 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 1f22 n ALA 48 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 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 -4.32 1.00 0.09 0.00 5.02 -1.20 -1.24 118.16 117.50 1f22 n LYS 50 Ca -0.43 -0.07 0.00 0.00 -2.02 0.00 0.00 58.31 55.79 1f22 n LYS 50 Cb 0.77 -1.11 0.00 0.00 -0.02 0.00 0.00 35.03 34.67 1f22 n LYS 50 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1f22 n THR 51 N 1.62 0.39 0.01 -0.18 5.66 -1.26 -4.50 114.28 116.02 1f22 n THR 51 Ca 0.03 0.13 -0.15 0.00 -3.05 0.00 0.00 64.05 61.01 1f22 n THR 51 Cb 0.49 -0.91 -0.10 0.00 -1.55 0.00 0.00 70.33 68.26 1f22 n THR 51 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1f22 h HIS 53 N -0.61 0.97 0.00 0.00 -0.00 -1.49 -1.65 115.15 112.37 1f22 h HIS 53 Ca 0.03 -0.07 -0.46 0.00 -0.00 0.00 0.00 60.37 59.86 1f22 h HIS 53 Cb 0.69 -0.29 0.01 0.00 -0.00 0.00 0.00 27.41 27.82 1f22 h HIS 53 CO -0.56 0.77 2.57 1.63 -0.00 0.00 0.00 177.93 182.34 1f22 n LYS 54 N -4.29 2.74 0.01 2.45 5.02 -1.03 -0.41 118.16 122.66 1f22 n LYS 54 Ca 0.05 -1.66 0.00 0.00 -2.02 0.00 0.00 58.31 54.68 1f22 n LYS 54 Cb 0.20 -2.49 0.00 0.00 -0.02 0.00 0.00 35.03 32.71 1f22 n LYS 54 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1f22 n SER 55 N 3.56 -0.14 -0.05 4.39 7.64 -1.13 -4.84 113.62 123.06 1f22 n SER 55 Ca 0.58 0.17 -0.11 0.00 1.01 0.00 0.00 58.87 60.51 1f22 n SER 55 Cb 0.31 0.30 0.02 0.00 -1.01 0.00 0.00 64.21 63.83 1f22 n SER 55 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 1f22 h ASN 56 N 0.00 0.80 -3.69 6.43 2.35 -0.99 -3.46 115.58 117.02 1f22 h ASN 56 Ca 0.00 -0.41 -0.52 0.00 -0.55 0.00 0.00 56.30 54.83 1f22 h ASN 56 Cb 0.00 -0.23 -0.18 0.00 0.05 0.00 0.00 38.32 37.96 1f22 h ASN 56 CO 0.00 1.16 -0.79 0.21 -1.65 0.00 0.00 177.43 176.36 1f22 s ASN 57 N -6.90 2.60 -0.73 5.81 3.84 0.46 -5.07 114.94 114.94 1f22 s ASN 57 Ca -0.09 -0.83 -0.09 0.00 0.21 0.00 0.00 52.86 52.05 1f22 s ASN 57 Cb 0.11 -0.15 0.19 0.00 -0.55 0.00 0.00 41.25 40.86 1f22 s ASN 57 CO 0.86 -0.03 0.62 -0.83 -2.79 0.00 0.00 177.10 174.93 1f22 s GLY 58 N -2.53 2.58 1.21 1.21 0.00 -1.26 -4.49 107.32 104.04 1f22 s GLY 58 Ca 0.14 -3.27 -0.19 0.00 0.00 0.00 0.00 44.72 41.39 1f22 s GLY 58 CO 0.06 1.19 1.10 2.56 0.00 0.00 0.00 173.10 178.01 1f22 s PRO 59 N 0.11 -1.31 0.22 2.90 0.04 -1.26 -5.03 135.00 130.67 1f22 s PRO 59 Ca 0.17 -0.06 0.00 0.00 0.04 0.00 0.00 61.00 61.15 1f22 s PRO 59 Cb -0.15 -1.59 0.00 0.00 0.04 0.00 0.00 34.50 32.80 1f22 s PRO 59 CO -0.06 -3.77 0.00 2.41 0.04 0.00 0.00 177.00 175.62 1f22 n THR 60 N -4.80 0.00 -3.22 1.26 -1.04 -1.26 -5.07 114.28 100.15 1f22 n THR 60 Ca 0.13 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 62.06 1f22 n THR 60 Cb 0.59 -0.24 -0.04 0.00 -1.82 0.00 0.00 70.33 68.83 1f22 n THR 60 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 1f22 s LYS 61 N -2.00 0.79 1.03 -2.82 0.00 -1.26 -5.12 119.74 110.36 1f22 s LYS 61 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 55.97 55.27 1f22 s LYS 61 Cb 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 37.83 37.52 1f22 s LYS 61 CO 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 175.35 174.13 1f22 n GLY 63 N 0.00 1.01 0.46 0.00 0.00 -1.26 -4.74 105.19 100.66 1f22 n GLY 63 Ca 0.00 0.00 0.29 0.00 0.00 0.00 0.00 46.02 46.31 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 0.78 0.00 -0.02 0.00 -2.00 -3.36 103.07 98.47 1f22 h GLY 64 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.21 1f22 h GLY 64 CO 0.00 -0.11 -0.22 0.00 0.00 0.00 0.00 176.54 176.21 1f22 s HIS 66 N -2.00 2.51 -1.27 0.00 4.02 -1.26 -4.11 115.29 113.18 1f22 s HIS 66 Ca 0.00 0.56 -0.15 0.00 1.02 0.00 0.00 55.06 56.49 1f22 s HIS 66 Cb 0.00 -3.77 -0.03 0.00 -1.02 0.00 0.00 32.58 27.75 1f22 s HIS 66 CO 0.00 -3.03 2.24 -0.89 1.02 0.00 0.00 174.74 174.08 1f22 n ILE 67 N 5.01 3.08 -0.76 0.60 2.08 -1.12 -4.12 119.36 124.12 1f22 n ILE 67 Ca 0.15 -2.49 0.00 0.00 0.56 0.00 0.00 62.75 60.97 1f22 n ILE 67 Cb 0.43 -2.51 0.00 0.00 -0.75 0.00 0.00 39.64 36.81 1f22 n ILE 67 CO 0.00 0.00 0.00 2.29 0.56 0.00 0.00 176.55 179.40