#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 -3.60 0.00 5.75 -1.26 -4.54 116.55 112.90 1f22 n ASP 2 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 54.79 54.64 1f22 n ASP 2 Cb 0.00 -0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.02 1f22 n ASP 2 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1f22 s VAL 3 N -1.17 0.00 0.16 2.12 0.11 -1.26 -0.37 120.40 119.99 1f22 s VAL 3 Ca 0.00 0.00 -0.00 0.00 -2.93 0.00 0.00 61.98 59.05 1f22 s VAL 3 Cb 0.00 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.81 1f22 s VAL 3 CO 0.00 0.00 0.05 -0.69 -3.33 0.00 0.00 175.10 171.13 1f22 s VAL 4 N -0.11 0.27 0.06 2.04 1.01 -0.16 -4.86 120.40 118.65 1f22 s VAL 4 Ca -0.02 -1.94 0.06 0.00 0.00 0.00 0.00 61.98 60.08 1f22 s VAL 4 Cb -0.04 -2.15 -0.03 0.00 0.00 0.00 0.00 36.38 34.17 1f22 s VAL 4 CO 0.02 -0.39 -0.17 0.28 0.00 0.00 0.00 175.10 174.84 1f22 s THR 5 N -3.94 1.35 -0.13 3.92 -1.32 -1.26 -1.26 115.64 113.01 1f22 s THR 5 Ca 0.26 -1.22 0.30 0.00 -1.21 0.00 0.00 61.69 59.82 1f22 s THR 5 Cb 0.07 -1.23 0.34 0.00 -1.51 0.00 0.00 72.50 70.17 1f22 s THR 5 CO 0.04 -0.02 1.88 1.88 -2.21 0.00 0.00 174.62 176.19 1f22 h TYR 6 N 4.60 0.00 -5.95 9.09 0.05 -1.95 -3.49 116.97 119.32 1f22 h TYR 6 Ca -0.41 0.00 -0.35 0.00 0.05 0.00 0.00 58.73 58.02 1f22 h TYR 6 Cb 1.18 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.93 1f22 h TYR 6 CO 0.56 0.00 -0.94 -0.85 -1.05 0.00 0.00 178.16 175.88 1f22 n GLU 7 N -2.77 -1.41 -2.44 4.88 0.28 -1.26 -4.96 120.64 112.96 1f22 n GLU 7 Ca 0.01 0.91 -0.25 0.00 -0.16 0.00 0.00 57.16 57.67 1f22 n GLU 7 Cb 0.28 -1.65 0.13 0.00 1.43 0.00 0.00 31.44 31.64 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 -1.81 3.95 0.07 -1.84 0.01 -1.26 -4.96 114.94 109.09 1f22 s ASN 8 Ca 0.18 -0.27 -0.13 0.00 -0.71 0.00 0.00 52.86 51.93 1f22 s ASN 8 Cb -0.02 0.03 -0.26 0.00 0.41 0.00 0.00 41.25 41.41 1f22 s ASN 8 CO 0.71 -2.15 1.15 0.50 -1.51 0.00 0.00 177.10 175.79 1f22 h LYS 9 N -0.85 0.62 0.05 -0.60 1.63 -2.04 -3.32 116.57 112.07 1f22 h LYS 9 Ca -0.38 -0.77 0.02 0.00 -0.85 0.00 0.00 60.65 58.68 1f22 h LYS 9 Cb 1.25 0.24 -0.05 0.00 -0.60 0.00 0.00 32.23 33.08 1f22 h LYS 9 CO 0.38 1.34 -0.45 -0.22 -3.45 0.00 0.00 179.45 177.05 1f22 h LYS 10 N 0.30 -0.62 0.00 1.90 1.63 -2.03 -3.47 116.57 114.28 1f22 h LYS 10 Ca -0.16 0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.68 1f22 h LYS 10 Cb 1.83 0.14 0.00 0.00 -0.60 0.00 0.00 32.23 33.60 1f22 h LYS 10 CO 0.22 -0.41 0.00 0.41 -3.45 0.00 0.00 179.45 176.22 1f22 n GLY 11 N -1.46 2.98 3.62 5.01 0.00 -1.25 -4.97 105.19 109.12 1f22 n GLY 11 Ca -0.07 -0.22 -0.43 0.00 0.00 0.00 0.00 46.02 45.31 1f22 n GLY 11 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1f22 s ASN 12 N 0.00 5.87 -0.55 1.61 0.02 -1.26 -4.21 114.94 116.43 1f22 s ASN 12 Ca 0.00 2.13 -0.28 0.00 -1.02 0.00 0.00 52.86 53.69 1f22 s ASN 12 Cb 0.00 -2.52 0.01 0.00 0.02 0.00 0.00 41.25 38.76 1f22 s ASN 12 CO 0.00 -1.59 1.41 -0.69 0.02 0.00 0.00 177.10 176.25 1f22 s VAL 13 N 6.72 3.80 -0.11 1.60 1.01 -1.26 -0.71 120.40 131.46 1f22 s VAL 13 Ca 0.94 0.69 -0.30 0.00 0.00 0.00 0.00 61.98 63.31 1f22 s VAL 13 Cb -0.35 -4.43 -0.01 0.00 0.00 0.00 0.00 36.38 31.59 1f22 s VAL 13 CO 0.37 -1.14 1.03 -0.89 0.00 0.00 0.00 175.10 174.46 1f22 s THR 14 N 6.02 4.73 -0.05 3.92 2.01 -0.26 -3.38 115.64 128.61 1f22 s THR 14 Ca 0.53 2.00 0.00 0.00 0.31 0.00 0.00 61.69 64.53 1f22 s THR 14 Cb -0.11 -4.29 0.02 0.00 0.01 0.00 0.00 72.50 68.14 1f22 s THR 14 CO 0.25 -0.00 -0.02 0.72 -0.69 0.00 0.00 174.62 174.88 1f22 s PHE 15 N 2.08 0.65 0.50 4.92 -0.71 -0.39 -4.81 117.98 120.22 1f22 s PHE 15 Ca 0.49 -0.16 -0.22 0.00 -1.04 0.00 0.00 56.93 56.00 1f22 s PHE 15 Cb -0.19 -0.67 -0.06 0.00 -1.21 0.00 0.00 43.02 40.89 1f22 s PHE 15 CO 0.18 -0.23 1.25 -0.51 -1.34 0.00 0.00 175.22 174.57 1f22 s ASP 16 N 1.32 5.77 0.00 1.98 1.11 -1.26 -0.99 116.67 124.60 1f22 s ASP 16 Ca -0.05 2.51 0.00 0.00 0.18 0.00 0.00 52.55 55.19 1f22 s ASP 16 Cb -0.13 -2.62 0.00 0.00 1.07 0.00 0.00 42.92 41.24 1f22 s ASP 16 CO -0.02 -1.21 0.00 1.57 1.18 0.00 0.00 175.17 176.69 1f22 n HIS 17 N -0.73 0.00 -0.14 4.23 -0.00 0.50 -4.36 115.22 114.73 1f22 n HIS 17 Ca 0.09 0.00 -0.05 0.00 0.46 0.00 0.00 57.72 58.22 1f22 n HIS 17 Cb 0.47 0.00 0.02 0.00 -0.12 0.00 0.00 29.99 30.35 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 0.00 -0.11 -0.46 1.57 3.64 -1.80 0.23 116.57 119.64 1f22 h LYS 18 Ca 0.00 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.47 1f22 h LYS 18 Cb 0.00 0.03 -0.10 0.00 -0.41 0.00 0.00 32.23 31.75 1f22 h LYS 18 CO 0.00 -0.08 -0.40 0.00 -2.27 0.00 0.00 179.45 176.70 1f22 h ALA 19 N 1.18 -0.32 -0.25 5.00 0.00 -1.87 0.31 119.26 123.32 1f22 h ALA 19 Ca 0.21 0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.25 1f22 h ALA 19 Cb 0.45 0.86 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1f22 h ALA 19 CO -0.52 -0.81 0.17 0.45 0.00 0.00 0.00 179.25 178.53 1f22 h HIS 20 N -0.27 0.18 0.73 0.00 3.86 -1.42 0.91 115.15 119.15 1f22 h HIS 20 Ca 0.16 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.34 1f22 h HIS 20 Cb 0.57 -0.06 0.01 0.00 1.06 0.00 0.00 27.41 28.98 1f22 h HIS 20 CO -0.63 0.11 -0.35 0.00 0.86 0.00 0.00 177.93 177.91 1f22 h ALA 21 N 1.86 -1.05 -0.39 2.45 0.00 0.27 -2.46 119.26 119.94 1f22 h ALA 21 Ca 0.11 -0.22 -0.14 0.00 0.00 0.00 0.00 54.91 54.66 1f22 h ALA 21 Cb 0.19 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1f22 h ALA 21 CO -0.02 -0.98 -0.31 1.05 0.00 0.00 0.00 179.25 178.99 1f22 h GLU 22 N -1.18 0.90 -0.41 0.00 4.11 -0.15 0.66 114.58 118.51 1f22 h GLU 22 Ca -0.10 -0.45 -0.10 0.00 0.07 0.00 0.00 59.36 58.78 1f22 h GLU 22 Cb 0.76 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 1f22 h GLU 22 CO 0.17 1.10 -0.15 0.87 0.07 0.00 0.00 179.01 181.07 1f22 h LYS 23 N 0.72 0.82 0.00 1.06 1.79 -0.98 -3.39 116.57 116.59 1f22 h LYS 23 Ca 0.07 -0.34 -0.36 0.00 -2.18 0.00 0.00 60.65 57.84 1f22 h LYS 23 Cb 0.90 -0.03 -0.05 0.00 -1.58 0.00 0.00 32.23 31.46 1f22 h LYS 23 CO 0.08 0.97 -2.19 1.28 -1.08 0.00 0.00 179.45 178.51 1f22 n LEU 24 N -4.27 1.83 0.00 2.94 4.77 -0.93 -5.08 117.00 116.26 1f22 n LEU 24 Ca -0.01 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 1f22 n LEU 24 Cb 0.40 -0.75 0.00 0.00 -2.33 0.00 0.00 43.42 40.74 1f22 n LEU 24 CO 0.44 0.39 0.00 0.61 -1.33 0.00 0.00 177.39 177.50 1f22 n GLY 25 N 1.42 -0.32 0.00 -0.72 0.00 0.23 -4.86 105.19 100.93 1f22 n GLY 25 Ca -0.45 0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.02 -0.20 0.00 5.75 -1.00 -0.34 116.55 120.73 1f22 n ASP 27 Ca 0.00 0.88 0.10 0.00 -0.01 0.00 0.00 54.79 55.76 1f22 n ASP 27 Cb 0.00 -0.34 0.20 0.00 -1.03 0.00 0.00 41.12 39.95 1f22 n ASP 27 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1f22 n ALA 28 N -3.28 0.35 0.00 2.12 0.00 -1.26 -3.44 120.51 115.00 1f22 n ALA 28 Ca 0.13 0.64 0.00 0.00 0.00 0.00 0.00 53.44 54.21 1f22 n ALA 28 Cb 0.44 -0.49 0.00 0.00 0.00 0.00 0.00 19.45 19.40 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 -1.55 2.32 -0.06 0.00 3.76 0.54 -5.02 115.29 115.27 1f22 s HIS 30 Ca 0.00 -1.58 -0.24 0.00 -0.15 0.00 0.00 55.06 53.09 1f22 s HIS 30 Cb 0.00 -1.58 -0.19 0.00 1.11 0.00 0.00 32.58 31.92 1f22 s HIS 30 CO 0.00 -0.74 0.96 0.93 -0.85 0.00 0.00 174.74 175.04 1f22 h GLU 31 N 7.99 -0.09 -3.03 1.40 5.08 -1.81 -2.65 114.58 121.47 1f22 h GLU 31 Ca -0.24 0.01 -0.22 0.00 -1.00 0.00 0.00 59.36 57.90 1f22 h GLU 31 Cb 1.09 0.02 -0.32 0.00 0.50 0.00 0.00 28.75 30.04 1f22 h GLU 31 CO 0.44 0.47 -0.54 0.20 -1.00 0.00 0.00 179.01 178.58 1f22 s GLY 32 N -3.45 -0.08 -0.57 -3.84 0.00 -1.26 -4.79 107.32 93.33 1f22 s GLY 32 Ca -0.15 0.86 -0.16 0.00 0.00 0.00 0.00 44.72 45.27 1f22 s GLY 32 CO 0.58 1.47 0.64 -1.30 0.00 0.00 0.00 173.10 174.49 1f22 n THR 33 N 4.71 -7.88 -2.16 0.90 -2.24 -1.26 -4.90 114.28 101.45 1f22 n THR 33 Ca -0.17 0.29 -0.40 0.00 -2.27 0.00 0.00 64.05 61.49 1f22 n THR 33 Cb 0.51 -5.60 -0.02 0.00 -2.10 0.00 0.00 70.33 63.13 1f22 n THR 33 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1f22 s PRO 34 N -3.04 4.33 -0.48 -0.78 0.04 -1.26 -4.97 135.00 128.85 1f22 s PRO 34 Ca 0.19 2.14 0.06 0.00 0.04 0.00 0.00 61.00 63.43 1f22 s PRO 34 Cb -0.04 -3.03 0.25 0.00 0.04 0.00 0.00 34.50 31.72 1f22 s PRO 34 CO 0.81 -0.18 0.86 0.00 0.04 0.00 0.00 177.00 178.53 1f22 n ALA 35 N 0.73 -0.96 -1.29 8.56 0.00 -1.26 -5.12 120.51 121.16 1f22 n ALA 35 Ca 0.00 -1.63 0.16 0.00 0.00 0.00 0.00 53.44 51.97 1f22 n ALA 35 Cb 0.43 -1.27 -0.06 0.00 0.00 0.00 0.00 19.45 18.55 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 1.56 -2.59 0.00 0.00 2.85 -1.26 -5.05 118.16 113.66 1f22 n LYS 36 Ca 0.10 1.92 0.00 0.00 -1.05 0.00 0.00 58.31 59.28 1f22 n LYS 36 Cb 0.62 -3.18 0.00 0.00 -0.65 0.00 0.00 35.03 31.82 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 -3.89 0.00 0.00 0.58 5.41 -1.26 -5.10 119.36 115.10 1f22 n ILE 37 Ca -0.03 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.72 1f22 n ILE 37 Cb 0.65 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.58 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 -3.00 0.00 -3.00 -1.39 0.00 -1.26 -5.10 120.51 106.76 1f22 n ALA 38 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1f22 n ALA 38 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 1f22 n ALA 38 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1f22 n ILE 39 N 0.00 -4.92 -3.95 0.00 2.08 -1.26 -5.05 119.36 106.26 1f22 n ILE 39 Ca 0.00 0.90 -0.21 0.00 0.56 0.00 0.00 62.75 64.00 1f22 n ILE 39 Cb 0.00 -4.03 -0.02 0.00 -0.75 0.00 0.00 39.64 34.84 1f22 n ILE 39 CO 0.00 0.00 0.00 -1.81 0.56 0.00 0.00 176.55 175.30 1f22 s ASP 40 N -0.80 6.14 0.23 4.38 1.11 -1.26 -4.88 116.67 121.59 1f22 s ASP 40 Ca -0.04 -0.02 -0.06 0.00 0.18 0.00 0.00 52.55 52.62 1f22 s ASP 40 Cb 0.00 -1.71 0.39 0.00 1.07 0.00 0.00 42.92 42.67 1f22 s ASP 40 CO 0.24 -0.10 1.26 2.29 1.18 0.00 0.00 175.17 180.04 1f22 n LYS 41 N -1.39 -0.07 -0.13 8.23 0.00 -1.26 -0.11 118.16 123.43 1f22 n LYS 41 Ca -0.08 1.26 0.22 0.00 -0.00 0.00 0.00 58.31 59.71 1f22 n LYS 41 Cb 0.57 -1.89 0.63 0.00 -0.00 0.00 0.00 35.03 34.35 1f22 n LYS 41 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 1f22 h LYS 42 N 0.00 0.15 0.00 -1.58 1.57 -1.97 -0.04 116.57 114.70 1f22 h LYS 42 Ca 0.40 -0.01 -0.19 0.00 -1.87 0.00 0.00 60.65 58.98 1f22 h LYS 42 Cb 0.62 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.87 1f22 h LYS 42 CO -0.83 0.10 -1.61 0.43 -0.57 0.00 0.00 179.45 176.97 1f22 n SER 43 N -4.39 1.90 -0.39 0.86 7.64 0.33 -4.48 113.62 115.09 1f22 n SER 43 Ca 0.15 0.32 -0.04 0.00 1.01 0.00 0.00 58.87 60.32 1f22 n SER 43 Cb 0.72 -0.75 0.00 0.00 -1.01 0.00 0.00 64.21 63.18 1f22 n SER 43 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1f22 h ALA 44 N -0.96 -0.02 -0.08 -0.43 0.00 -0.38 0.30 119.26 117.68 1f22 h ALA 44 Ca -0.29 0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1f22 h ALA 44 Cb 1.23 1.10 0.00 0.00 0.00 0.00 0.00 17.79 20.12 1f22 h ALA 44 CO -0.17 -0.71 0.00 0.72 0.00 0.00 0.00 179.25 179.08 1f22 n HIS 45 N -5.42 0.11 0.05 0.00 8.25 -0.04 -0.73 115.22 117.44 1f22 n HIS 45 Ca 0.08 -0.05 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 1f22 n HIS 45 Cb 0.37 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.48 1f22 n HIS 45 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1f22 n LYS 46 N -0.28 0.00 -2.91 -0.41 0.00 0.26 -4.81 118.16 110.01 1f22 n LYS 46 Ca 0.12 0.00 -0.13 0.00 0.00 0.00 0.00 58.31 58.30 1f22 n LYS 46 Cb 0.16 -0.09 0.02 0.00 0.00 0.00 0.00 35.03 35.11 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 -2.94 0.43 0.00 3.14 8.00 0.79 -4.66 116.55 121.31 1f22 n ASP 47 Ca 0.00 -2.94 0.00 0.00 0.71 0.00 0.00 54.79 52.56 1f22 n ASP 47 Cb 0.00 -0.15 0.00 0.00 -0.02 0.00 0.00 41.12 40.95 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 0.10 0.00 0.35 2.24 0.00 -0.88 -4.83 120.51 117.49 1f22 n ALA 48 Ca 0.15 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.42 1f22 n ALA 48 Cb 0.74 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 20.10 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 -5.14 1.13 0.00 0.00 4.81 0.09 -2.26 118.16 116.77 1f22 n LYS 50 Ca -0.12 -0.17 0.00 0.00 -0.87 0.00 0.00 58.31 57.15 1f22 n LYS 50 Cb 0.43 -1.11 0.00 0.00 0.02 0.00 0.00 35.03 34.37 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 1.51 0.00 -0.09 3.15 -1.04 -1.10 -4.57 114.28 112.15 1f22 n THR 51 Ca 0.05 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.05 1f22 n THR 51 Cb 0.54 -0.15 0.25 0.00 -1.82 0.00 0.00 70.33 69.14 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 -4.31 0.00 -0.81 0.00 -0.00 -0.96 -4.96 115.22 104.18 1f22 n HIS 53 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.76 1f22 n HIS 53 Cb 0.20 -0.44 0.00 0.00 -0.00 0.00 0.00 29.99 29.75 1f22 n HIS 53 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 1f22 n LYS 54 N -1.82 -0.06 -1.45 -0.41 5.02 -1.23 -4.11 118.16 114.10 1f22 n LYS 54 Ca 0.00 0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 1f22 n LYS 54 Cb 0.00 -0.13 0.00 0.00 -0.02 0.00 0.00 35.03 34.88 1f22 n LYS 54 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1f22 n SER 55 N 1.43 -1.40 0.00 4.39 2.88 -1.26 -4.98 113.62 114.68 1f22 n SER 55 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1f22 n SER 55 Cb 0.06 -0.35 0.00 0.00 -0.75 0.00 0.00 64.21 63.17 1f22 n SER 55 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1f22 n ASN 56 N -0.44 0.00 -4.94 -3.46 6.94 -1.26 -5.13 115.26 106.98 1f22 n ASN 56 Ca 0.00 0.00 -0.24 0.00 -0.02 0.00 0.00 54.58 54.32 1f22 n ASN 56 Cb 0.35 0.07 0.02 0.00 -2.36 0.00 0.00 39.78 37.85 1f22 n ASN 56 CO 0.00 0.00 0.00 0.20 -1.03 0.00 0.00 177.26 176.43 1f22 s ASN 57 N -4.33 5.79 -0.06 0.53 0.02 -1.26 -5.07 114.94 110.56 1f22 s ASN 57 Ca 0.00 0.43 -0.01 0.00 -1.02 0.00 0.00 52.86 52.26 1f22 s ASN 57 Cb 0.00 -1.62 -0.00 0.00 0.02 0.00 0.00 41.25 39.65 1f22 s ASN 57 CO 0.00 -0.79 -0.02 1.23 0.02 0.00 0.00 177.10 177.54 1f22 h GLY 58 N 0.24 0.00 -5.76 0.66 0.00 -2.01 -3.39 103.07 92.80 1f22 h GLY 58 Ca -0.46 0.00 -0.72 0.00 0.00 0.00 0.00 47.33 46.15 1f22 h GLY 58 CO 0.58 0.00 2.81 -1.55 0.00 0.00 0.00 176.54 178.38 1f22 n PRO 59 N -3.69 3.79 -0.03 4.80 -0.04 -1.26 -4.51 135.00 134.05 1f22 n PRO 59 Ca -0.01 -3.01 -0.14 0.00 -0.04 0.00 0.00 63.50 60.30 1f22 n PRO 59 Cb 0.03 -2.88 -0.10 0.00 -0.04 0.00 0.00 33.50 30.51 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 3.27 1.45 0.00 0.52 1.35 -1.95 -3.27 112.91 114.29 1f22 h THR 60 Ca 0.64 -1.67 -0.34 0.00 -0.55 0.00 0.00 66.41 64.49 1f22 h THR 60 Cb 0.45 2.40 -0.01 0.00 -1.73 0.00 0.00 68.15 69.25 1f22 h THR 60 CO 1.67 0.47 1.58 2.29 -0.25 0.00 0.00 175.52 181.28 1f22 n LYS 61 N -4.53 2.26 -0.19 4.72 0.00 -1.26 -4.88 118.16 114.27 1f22 n LYS 61 Ca -0.08 -1.33 0.02 0.00 -0.00 0.00 0.00 58.31 56.92 1f22 n LYS 61 Cb 0.45 -2.27 -0.01 0.00 -0.00 0.00 0.00 35.03 33.20 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 -2.66 -0.46 0.38 0.00 0.00 -1.26 -4.72 105.19 96.47 1f22 n GLY 63 Ca -0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 46.02 45.95 1f22 n GLY 63 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f22 n GLY 64 N -1.06 -0.33 0.12 -0.02 0.00 -1.23 -4.85 105.19 97.82 1f22 n GLY 64 Ca -0.23 -0.12 -0.25 0.00 0.00 0.00 0.00 46.02 45.42 1f22 n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f22 s HIS 66 N -2.53 1.86 -1.22 0.00 3.76 -1.26 -1.11 115.29 114.80 1f22 s HIS 66 Ca -0.35 0.42 -0.20 0.00 -0.15 0.00 0.00 55.06 54.78 1f22 s HIS 66 Cb 0.11 -4.01 0.00 0.00 1.11 0.00 0.00 32.58 29.79 1f22 s HIS 66 CO 0.49 -3.42 1.81 0.42 -0.85 0.00 0.00 174.74 173.19 1f22 s ILE 67 N 5.60 3.85 -2.00 0.60 -1.09 0.12 -4.65 121.20 123.62 1f22 s ILE 67 Ca 0.78 -1.39 0.10 0.00 -2.23 0.00 0.00 60.65 57.92 1f22 s ILE 67 Cb -0.28 -4.89 0.30 0.00 -1.58 0.00 0.00 42.46 36.00 1f22 s ILE 67 CO 0.32 -1.57 1.06 1.17 -1.23 0.00 0.00 174.94 174.69