#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 0.00 -3.51 0.00 2.03 -1.97 -3.40 116.42 109.57 1f22 h ASP 2 Ca 0.00 0.00 -0.55 0.00 -0.73 0.00 0.00 57.03 55.75 1f22 h ASP 2 Cb 0.00 0.00 -0.18 0.00 -0.83 0.00 0.00 39.33 38.32 1f22 h ASP 2 CO 0.00 0.07 -0.79 0.54 -1.03 0.00 0.00 179.24 178.03 1f22 s VAL 3 N -4.69 1.91 0.25 4.15 0.11 -1.26 -0.13 120.40 120.73 1f22 s VAL 3 Ca -0.04 -1.92 0.03 0.00 -2.93 0.00 0.00 61.98 57.11 1f22 s VAL 3 Cb 0.16 -1.88 -0.05 0.00 -1.53 0.00 0.00 36.38 33.07 1f22 s VAL 3 CO 0.63 -0.27 0.03 -0.69 -3.33 0.00 0.00 175.10 171.48 1f22 s VAL 4 N -1.94 0.90 0.01 2.04 1.01 -0.12 -4.83 120.40 117.47 1f22 s VAL 4 Ca 0.16 -2.01 0.01 0.00 0.00 0.00 0.00 61.98 60.13 1f22 s VAL 4 Cb -0.06 -2.47 -0.01 0.00 0.00 0.00 0.00 36.38 33.84 1f22 s VAL 4 CO 0.07 -0.20 -0.03 0.28 0.00 0.00 0.00 175.10 175.22 1f22 s THR 5 N -3.51 0.18 -0.72 3.92 -1.32 -1.26 -0.75 115.64 112.17 1f22 s THR 5 Ca 0.32 -0.36 -0.21 0.00 -1.21 0.00 0.00 61.69 60.23 1f22 s THR 5 Cb 0.07 -0.21 0.10 0.00 -1.51 0.00 0.00 72.50 70.95 1f22 s THR 5 CO 0.11 -0.12 0.95 -0.31 -2.21 0.00 0.00 174.62 173.04 1f22 s TYR 6 N -0.49 2.87 0.25 9.09 2.02 -0.06 -4.94 117.35 126.09 1f22 s TYR 6 Ca -0.04 -0.88 -0.30 0.00 -0.37 0.00 0.00 57.07 55.48 1f22 s TYR 6 Cb -0.04 -4.23 -0.10 0.00 -0.40 0.00 0.00 41.96 37.20 1f22 s TYR 6 CO -0.00 -1.53 1.39 -1.21 -1.57 0.00 0.00 175.55 172.63 1f22 s GLU 7 N 3.37 4.31 0.25 -0.62 2.02 -1.26 -0.91 118.70 125.85 1f22 s GLU 7 Ca 0.23 2.24 -0.18 0.00 0.02 0.00 0.00 54.97 57.27 1f22 s GLU 7 Cb -0.15 -3.12 0.02 0.00 0.10 0.00 0.00 34.13 30.98 1f22 s GLU 7 CO 0.04 -0.34 0.60 0.54 0.02 0.00 0.00 175.26 176.12 1f22 s ASN 8 N 0.20 -0.22 0.17 -0.19 2.20 -1.26 -4.95 114.94 110.89 1f22 s ASN 8 Ca 0.57 -0.65 -0.10 0.00 -0.94 0.00 0.00 52.86 51.74 1f22 s ASN 8 Cb -0.40 0.65 0.03 0.00 -2.00 0.00 0.00 41.25 39.53 1f22 s ASN 8 CO 0.44 -1.21 1.60 0.50 -2.94 0.00 0.00 177.10 175.49 1f22 h LYS 9 N 2.12 1.02 -0.15 3.55 1.63 -2.03 -3.26 116.57 119.45 1f22 h LYS 9 Ca -0.24 -0.37 -0.19 0.00 -0.85 0.00 0.00 60.65 59.00 1f22 h LYS 9 Cb 1.26 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.82 1f22 h LYS 9 CO 0.30 1.05 -0.70 1.57 -3.45 0.00 0.00 179.45 178.23 1f22 h LYS 10 N 0.89 0.63 0.00 1.90 5.09 -1.98 -3.47 116.57 119.64 1f22 h LYS 10 Ca 0.14 -0.48 0.00 0.00 0.09 0.00 0.00 60.65 60.41 1f22 h LYS 10 Cb 0.64 0.09 0.00 0.00 0.10 0.00 0.00 32.23 33.06 1f22 h LYS 10 CO 0.04 1.10 0.00 0.41 -2.09 0.00 0.00 179.45 178.91 1f22 n GLY 11 N 0.53 2.24 3.12 0.07 0.00 -1.23 -4.75 105.19 105.17 1f22 n GLY 11 Ca -0.05 0.34 -0.56 0.00 0.00 0.00 0.00 46.02 45.75 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 0.82 -4.43 1.61 5.03 -1.26 -4.43 115.26 112.60 1f22 n ASN 12 Ca 0.00 1.00 -0.44 0.00 0.87 0.00 0.00 54.58 56.01 1f22 n ASN 12 Cb 0.00 -0.75 -0.04 0.00 -1.02 0.00 0.00 39.78 37.97 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 2.03 4.56 0.27 2.41 1.01 -0.09 -2.87 120.40 127.73 1f22 s VAL 13 Ca 0.86 -0.55 -0.29 0.00 0.00 0.00 0.00 61.98 62.00 1f22 s VAL 13 Cb -1.22 -4.56 -0.09 0.00 0.00 0.00 0.00 36.38 30.50 1f22 s VAL 13 CO 0.65 -1.24 1.12 -0.89 0.00 0.00 0.00 175.10 174.74 1f22 s THR 14 N 3.41 3.45 -0.15 3.92 2.01 -1.23 -0.88 115.64 126.17 1f22 s THR 14 Ca 0.18 1.43 -0.04 0.00 0.31 0.00 0.00 61.69 63.58 1f22 s THR 14 Cb -0.19 -3.91 0.07 0.00 0.01 0.00 0.00 72.50 68.47 1f22 s THR 14 CO 0.10 0.33 0.21 0.72 -0.69 0.00 0.00 174.62 175.28 1f22 s PHE 15 N -1.04 -0.26 -0.08 4.92 -0.71 0.07 -4.89 117.98 115.98 1f22 s PHE 15 Ca 0.46 0.49 -0.13 0.00 -1.04 0.00 0.00 56.93 56.70 1f22 s PHE 15 Cb -0.32 -0.27 -0.06 0.00 -1.21 0.00 0.00 43.02 41.15 1f22 s PHE 15 CO 0.41 -0.44 0.41 -0.25 -1.34 0.00 0.00 175.22 174.01 1f22 n ASP 16 N 5.33 0.19 -0.00 1.98 9.92 -1.26 -0.95 116.55 131.75 1f22 n ASP 16 Ca -0.05 0.36 -0.00 0.00 -0.53 0.00 0.00 54.79 54.56 1f22 n ASP 16 Cb 0.50 -0.28 -0.00 0.00 -0.64 0.00 0.00 41.12 40.70 1f22 n ASP 16 CO 0.00 0.00 0.00 1.57 0.13 0.00 0.00 177.20 178.90 1f22 n HIS 17 N 0.85 0.00 -0.05 1.24 -0.00 0.82 -4.49 115.22 113.58 1f22 n HIS 17 Ca 0.08 0.00 -0.08 0.00 0.46 0.00 0.00 57.72 58.18 1f22 n HIS 17 Cb 0.00 -0.02 -0.02 0.00 -0.12 0.00 0.00 29.99 29.83 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 -0.04 -0.04 0.10 1.57 3.64 -0.96 0.22 116.57 121.06 1f22 h LYS 18 Ca 0.00 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.40 1f22 h LYS 18 Cb 0.04 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.82 1f22 h LYS 18 CO 0.00 -0.02 -0.38 0.00 -2.27 0.00 0.00 179.45 176.77 1f22 h ALA 19 N 1.18 -0.66 -0.99 5.00 0.00 -1.88 0.12 119.26 122.02 1f22 h ALA 19 Ca 0.12 -0.06 0.17 0.00 0.00 0.00 0.00 54.91 55.14 1f22 h ALA 19 Cb 0.21 0.65 -0.10 0.00 0.00 0.00 0.00 17.79 18.55 1f22 h ALA 19 CO -0.26 -0.94 0.60 0.45 0.00 0.00 0.00 179.25 179.11 1f22 h HIS 20 N -0.60 1.07 -0.19 0.00 3.86 -1.70 -0.09 115.15 117.50 1f22 h HIS 20 Ca 0.03 0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.29 1f22 h HIS 20 Cb 0.64 -0.32 -0.02 0.00 1.06 0.00 0.00 27.41 28.77 1f22 h HIS 20 CO -0.35 0.28 0.08 0.00 0.86 0.00 0.00 177.93 178.80 1f22 h ALA 21 N 1.62 0.22 0.08 2.45 0.00 0.18 0.11 119.26 123.92 1f22 h ALA 21 Ca 0.56 0.01 -0.19 0.00 0.00 0.00 0.00 54.91 55.29 1f22 h ALA 21 Cb 0.80 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.59 1f22 h ALA 21 CO -0.36 -0.34 -0.79 1.05 0.00 0.00 0.00 179.25 178.81 1f22 h GLU 22 N 0.18 0.40 -0.58 0.00 4.11 -0.50 0.26 114.58 118.45 1f22 h GLU 22 Ca 0.08 -0.53 0.12 0.00 0.07 0.00 0.00 59.36 59.09 1f22 h GLU 22 Cb 0.03 0.18 -0.09 0.00 0.50 0.00 0.00 28.75 29.37 1f22 h GLU 22 CO -0.07 1.21 0.03 0.87 0.07 0.00 0.00 179.01 181.12 1f22 h LYS 23 N -0.16 0.14 0.00 1.06 1.79 -0.98 -3.37 116.57 115.05 1f22 h LYS 23 Ca -0.12 -0.01 -0.24 0.00 -2.18 0.00 0.00 60.65 58.10 1f22 h LYS 23 Cb 1.55 -0.03 -0.04 0.00 -1.58 0.00 0.00 32.23 32.12 1f22 h LYS 23 CO 0.15 0.09 -1.87 1.28 -1.08 0.00 0.00 179.45 178.03 1f22 n LEU 24 N -5.23 2.37 0.00 2.94 4.77 0.37 -5.08 117.00 117.13 1f22 n LEU 24 Ca 0.08 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 1f22 n LEU 24 Cb 0.32 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 1f22 n LEU 24 CO 0.14 0.61 0.00 0.61 -1.33 0.00 0.00 177.39 177.42 1f22 n GLY 25 N 2.52 1.29 0.14 -0.72 0.00 0.91 -4.69 105.19 104.64 1f22 n GLY 25 Ca -0.28 -2.22 -0.23 0.00 0.00 0.00 0.00 46.02 43.29 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 -0.01 0.92 -0.06 0.00 5.19 -1.90 0.31 116.42 120.87 1f22 h ASP 27 Ca -0.28 -0.01 0.01 0.00 -0.62 0.00 0.00 57.03 56.13 1f22 h ASP 27 Cb 2.01 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 41.29 1f22 h ASP 27 CO 0.19 0.64 -0.01 0.00 -3.12 0.00 0.00 179.24 176.95 1f22 n ALA 28 N -2.41 0.02 0.00 3.45 0.00 -1.26 -3.18 120.51 117.14 1f22 n ALA 28 Ca 0.11 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1f22 n ALA 28 Cb 0.09 -0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.49 1f22 n ALA 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1f22 n HIS 30 N -2.65 4.15 -1.53 0.00 8.25 0.85 -4.94 115.22 119.35 1f22 n HIS 30 Ca 0.00 -3.07 -0.39 0.00 -0.26 0.00 0.00 57.72 54.00 1f22 n HIS 30 Cb 0.42 -2.20 -0.07 0.00 1.12 0.00 0.00 29.99 29.26 1f22 n HIS 30 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1f22 n GLU 31 N 5.47 0.81 -3.07 -0.41 1.02 -1.25 -2.41 120.64 120.79 1f22 n GLU 31 Ca 0.41 0.04 -0.13 0.00 -0.02 0.00 0.00 57.16 57.46 1f22 n GLU 31 Cb 0.41 -2.85 0.07 0.00 -0.02 0.00 0.00 31.44 29.05 1f22 n GLU 31 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1f22 n GLY 32 N 6.18 -0.36 0.00 0.62 0.00 -1.26 -4.90 105.19 105.47 1f22 n GLY 32 Ca 0.45 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.57 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 -3.32 0.00 -2.59 2.61 -1.04 -1.01 -5.08 114.28 103.84 1f22 n THR 33 Ca -0.18 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.49 1f22 n THR 33 Cb 0.62 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 69.09 1f22 n THR 33 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1f22 s PRO 34 N -5.36 3.92 -0.43 -2.82 0.04 -1.26 -4.91 135.00 124.18 1f22 s PRO 34 Ca 0.00 1.34 0.08 0.00 0.04 0.00 0.00 61.00 62.46 1f22 s PRO 34 Cb 0.00 -2.17 0.36 0.00 0.04 0.00 0.00 34.50 32.72 1f22 s PRO 34 CO 0.00 -0.33 1.25 0.00 0.04 0.00 0.00 177.00 177.96 1f22 n ALA 35 N -0.78 0.26 -1.04 8.56 0.00 -1.26 -5.11 120.51 121.14 1f22 n ALA 35 Ca 0.08 -1.37 0.10 0.00 0.00 0.00 0.00 53.44 52.25 1f22 n ALA 35 Cb 0.52 -1.08 -0.02 0.00 0.00 0.00 0.00 19.45 18.87 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 -0.15 -1.45 0.02 0.00 5.02 -1.26 -4.97 118.16 115.38 1f22 n LYS 36 Ca 0.01 0.95 0.00 0.00 -2.02 0.00 0.00 58.31 57.25 1f22 n LYS 36 Cb 0.78 -1.76 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 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 -2.86 0.03 -2.36 -0.18 5.41 -1.26 -5.00 119.36 113.14 1f22 n ILE 37 Ca 0.00 0.01 -0.04 0.00 1.00 0.00 0.00 62.75 63.73 1f22 n ILE 37 Cb 0.33 -0.66 0.01 0.00 -0.71 0.00 0.00 39.64 38.61 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 -2.73 -3.09 -3.08 -1.39 0.00 -1.26 -4.96 120.51 104.00 1f22 n ALA 38 Ca 0.00 0.67 -0.45 0.00 0.00 0.00 0.00 53.44 53.67 1f22 n ALA 38 Cb 0.06 -2.07 -0.03 0.00 0.00 0.00 0.00 19.45 17.41 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 -1.82 4.94 0.56 0.00 -1.09 -1.26 -4.99 121.20 117.54 1f22 s ILE 39 Ca 0.13 -1.49 -0.03 0.00 -2.23 0.00 0.00 60.65 57.02 1f22 s ILE 39 Cb -0.04 -4.60 0.02 0.00 -1.58 0.00 0.00 42.46 36.26 1f22 s ILE 39 CO 0.51 -1.26 0.84 -1.81 -1.23 0.00 0.00 174.94 171.98 1f22 s ASP 40 N 3.30 5.50 0.25 3.58 1.01 -1.26 -4.65 116.67 124.40 1f22 s ASP 40 Ca 0.21 0.45 -0.11 0.00 0.71 0.00 0.00 52.55 53.81 1f22 s ASP 40 Cb -0.14 -1.45 0.36 0.00 1.01 0.00 0.00 42.92 42.70 1f22 s ASP 40 CO -0.02 -1.05 1.58 0.07 0.21 0.00 0.00 175.17 175.95 1f22 h LYS 41 N -0.04 -0.01 -0.86 8.23 2.10 -1.96 0.27 116.57 124.30 1f22 h LYS 41 Ca -0.45 0.00 0.15 0.00 -2.00 0.00 0.00 60.65 58.35 1f22 h LYS 41 Cb 1.27 0.00 -0.15 0.00 -0.90 0.00 0.00 32.23 32.45 1f22 h LYS 41 CO 0.58 -0.01 -0.31 0.87 -2.00 0.00 0.00 179.45 178.59 1f22 h LYS 42 N -0.01 -0.04 0.00 0.07 1.57 -1.99 -0.18 116.57 115.99 1f22 h LYS 42 Ca 0.40 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 59.14 1f22 h LYS 42 Cb 0.63 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 1f22 h LYS 42 CO -0.90 -0.02 -0.36 0.77 -0.57 0.00 0.00 179.45 178.36 1f22 h SER 43 N -0.04 0.00 -0.93 0.86 0.02 -1.14 -3.30 113.55 109.02 1f22 h SER 43 Ca 0.35 -0.44 0.11 0.00 -0.84 0.00 0.00 61.79 60.98 1f22 h SER 43 Cb 0.61 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 63.02 1f22 h SER 43 CO -0.89 0.92 -0.50 0.00 -1.14 0.00 0.00 176.83 175.22 1f22 h ALA 44 N -0.56 -0.28 0.00 3.77 0.00 -0.45 0.26 119.26 122.00 1f22 h ALA 44 Ca -0.08 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1f22 h ALA 44 Cb 0.70 1.19 0.00 0.00 0.00 0.00 0.00 17.79 19.68 1f22 h ALA 44 CO -0.05 -0.83 0.00 0.45 0.00 0.00 0.00 179.25 178.82 1f22 h HIS 45 N -0.04 0.00 0.00 0.00 -0.00 -1.24 -3.10 115.15 110.77 1f22 h HIS 45 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.60 1f22 h HIS 45 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.91 1f22 h HIS 45 CO -0.93 0.00 0.00 1.17 -0.00 0.00 0.00 177.93 178.17 1f22 n LYS 46 N -2.66 0.00 -3.27 2.45 0.00 0.07 -4.87 118.16 109.88 1f22 n LYS 46 Ca 0.04 0.09 -0.17 0.00 0.00 0.00 0.00 58.31 58.27 1f22 n LYS 46 Cb 0.45 -0.44 -0.07 0.00 0.00 0.00 0.00 35.03 34.98 1f22 n LYS 46 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1f22 s ASP 47 N -2.44 0.77 0.00 3.14 1.01 0.69 -4.54 116.67 115.29 1f22 s ASP 47 Ca 0.00 -1.93 0.00 0.00 0.71 0.00 0.00 52.55 51.33 1f22 s ASP 47 Cb 0.00 0.58 0.00 0.00 1.01 0.00 0.00 42.92 44.51 1f22 s ASP 47 CO 0.00 -0.20 0.00 0.00 0.21 0.00 0.00 175.17 175.18 1f22 n ALA 48 N 3.73 0.47 -0.00 5.23 0.00 -1.11 -4.72 120.51 124.10 1f22 n ALA 48 Ca 0.16 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.60 1f22 n ALA 48 Cb 0.48 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.92 1f22 n ALA 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1f22 h LYS 50 N -0.05 0.88 -0.72 0.00 1.57 -1.89 0.11 116.57 116.47 1f22 h LYS 50 Ca 0.00 -0.05 0.08 0.00 -1.87 0.00 0.00 60.65 58.81 1f22 h LYS 50 Cb 0.04 -0.20 -0.05 0.00 0.08 0.00 0.00 32.23 32.11 1f22 h LYS 50 CO 0.00 0.58 0.48 0.00 -0.57 0.00 0.00 179.45 179.94 1f22 h THR 51 N 0.91 0.97 0.05 -0.16 1.03 -1.85 0.11 112.91 113.97 1f22 h THR 51 Ca 0.48 -0.23 -0.00 0.00 -0.01 0.00 0.00 66.41 66.65 1f22 h THR 51 Cb 0.55 0.23 0.00 0.00 -1.07 0.00 0.00 68.15 67.87 1f22 h THR 51 CO -0.25 0.12 -0.03 0.00 -0.01 0.00 0.00 175.52 175.36 1f22 h HIS 53 N -0.98 0.32 0.00 0.00 -0.00 -0.84 -3.28 115.15 110.37 1f22 h HIS 53 Ca -0.01 0.01 -0.58 0.00 -0.00 0.00 0.00 60.37 59.79 1f22 h HIS 53 Cb 0.46 -0.11 0.04 0.00 -0.00 0.00 0.00 27.41 27.80 1f22 h HIS 53 CO 0.11 0.19 2.39 1.63 -0.00 0.00 0.00 177.93 182.25 1f22 n LYS 54 N -4.49 1.66 0.19 2.45 5.02 0.35 -3.09 118.16 120.25 1f22 n LYS 54 Ca 0.02 -1.74 0.00 0.00 -2.02 0.00 0.00 58.31 54.56 1f22 n LYS 54 Cb 0.11 -2.79 0.00 0.00 -0.02 0.00 0.00 35.03 32.33 1f22 n LYS 54 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1f22 n SER 55 N 6.57 -3.36 -4.52 4.39 3.41 -1.24 -4.99 113.62 113.89 1f22 n SER 55 Ca 0.48 0.76 -0.30 0.00 -0.26 0.00 0.00 58.87 59.55 1f22 n SER 55 Cb 0.33 3.21 0.20 0.00 -0.26 0.00 0.00 64.21 67.70 1f22 n SER 55 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1f22 n ASN 56 N -3.28 -1.09 -4.83 4.04 3.02 -1.18 -5.05 115.26 106.89 1f22 n ASN 56 Ca 0.00 0.11 -0.27 0.00 -0.03 0.00 0.00 54.58 54.39 1f22 n ASN 56 Cb 0.00 -1.30 0.09 0.00 -0.61 0.00 0.00 39.78 37.95 1f22 n ASN 56 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1f22 s ASN 57 N -2.39 4.54 0.00 6.41 3.84 -1.26 -4.84 114.94 121.24 1f22 s ASN 57 Ca 0.65 0.47 0.00 0.00 0.21 0.00 0.00 52.86 54.19 1f22 s ASN 57 Cb -0.23 -1.00 0.00 0.00 -0.55 0.00 0.00 41.25 39.47 1f22 s ASN 57 CO 0.63 -1.80 0.00 0.61 -2.79 0.00 0.00 177.10 173.75 1f22 n GLY 58 N -3.10 1.74 3.79 1.21 0.00 -1.26 -5.08 105.19 102.49 1f22 n GLY 58 Ca 0.09 -0.75 -0.32 0.00 0.00 0.00 0.00 46.02 45.04 1f22 n GLY 58 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1f22 s PRO 59 N 0.00 2.72 0.00 1.61 0.04 -1.26 -4.96 135.00 133.15 1f22 s PRO 59 Ca 0.00 1.16 0.00 0.00 0.04 0.00 0.00 61.00 62.20 1f22 s PRO 59 Cb 0.00 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.59 1f22 s PRO 59 CO 0.00 -1.29 0.00 -2.37 0.04 0.00 0.00 177.00 173.38 1f22 n THR 60 N -2.97 0.00 0.00 1.26 5.66 -1.26 -5.01 114.28 111.96 1f22 n THR 60 Ca 0.09 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.09 1f22 n THR 60 Cb 0.53 -0.25 0.00 0.00 -1.55 0.00 0.00 70.33 69.06 1f22 n THR 60 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 1f22 n LYS 61 N -2.41 0.00 -0.84 1.09 0.00 -1.26 -5.15 118.16 109.59 1f22 n LYS 61 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1f22 n LYS 61 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 1f22 n LYS 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1f22 n GLY 63 N 5.00 2.25 0.38 0.00 0.00 -1.26 -4.82 105.19 106.74 1f22 n GLY 63 Ca 0.00 -0.20 0.23 0.00 0.00 0.00 0.00 46.02 46.05 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 1.63 0.00 -0.02 0.00 -1.97 -3.39 103.07 99.32 1f22 h GLY 64 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.09 1f22 h GLY 64 CO 0.00 -0.28 -0.15 0.00 0.00 0.00 0.00 176.54 176.11 1f22 s HIS 66 N -2.00 2.65 -0.13 0.00 3.76 -1.26 -3.53 115.29 114.78 1f22 s HIS 66 Ca 0.00 0.78 -0.05 0.00 -0.15 0.00 0.00 55.06 55.64 1f22 s HIS 66 Cb 0.00 -3.63 -0.14 0.00 1.11 0.00 0.00 32.58 29.91 1f22 s HIS 66 CO 0.00 -2.37 3.21 -0.89 -0.85 0.00 0.00 174.74 173.84 1f22 n ILE 67 N 5.19 2.99 0.00 0.60 2.08 -1.14 -4.37 119.36 124.72 1f22 n ILE 67 Ca 0.14 -1.80 0.00 0.00 0.56 0.00 0.00 62.75 61.65 1f22 n ILE 67 Cb 0.44 -1.83 0.00 0.00 -0.75 0.00 0.00 39.64 37.50 1f22 n ILE 67 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28