#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f22 s ASP 2 N 0.00 -0.33 0.21 0.00 -4.77 -1.26 -3.80 116.67 106.72 1f22 s ASP 2 Ca 0.00 -0.34 -0.32 0.00 -3.30 0.00 0.00 52.55 48.59 1f22 s ASP 2 Cb 0.00 0.61 -0.13 0.00 -1.09 0.00 0.00 42.92 42.30 1f22 s ASP 2 CO 0.00 -1.07 1.52 0.55 0.70 0.00 0.00 175.17 176.87 1f22 n VAL 3 N -0.42 0.50 -4.29 2.11 3.14 -1.26 -4.35 118.33 113.75 1f22 n VAL 3 Ca -0.08 -0.12 -0.16 0.00 -2.96 0.00 0.00 64.34 61.02 1f22 n VAL 3 Cb 0.61 -1.60 -0.10 0.00 -1.06 0.00 0.00 33.84 31.69 1f22 n VAL 3 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 1f22 s VAL 4 N 0.43 1.02 0.02 1.55 1.01 -0.46 -4.96 120.40 119.02 1f22 s VAL 4 Ca 0.72 -2.03 0.05 0.00 0.00 0.00 0.00 61.98 60.72 1f22 s VAL 4 Cb -0.63 -2.17 -0.02 0.00 0.00 0.00 0.00 36.38 33.57 1f22 s VAL 4 CO 0.43 -0.47 -0.14 0.28 0.00 0.00 0.00 175.10 175.20 1f22 s THR 5 N -3.43 1.11 0.15 3.92 -1.32 -1.26 -0.96 115.64 113.85 1f22 s THR 5 Ca 0.24 -0.87 -0.12 0.00 -1.21 0.00 0.00 61.69 59.73 1f22 s THR 5 Cb 0.05 -0.98 0.03 0.00 -1.51 0.00 0.00 72.50 70.08 1f22 s THR 5 CO 0.06 0.10 1.62 1.88 -2.21 0.00 0.00 174.62 176.06 1f22 h TYR 6 N 5.20 0.95 -0.86 9.09 0.05 -1.94 -3.48 116.97 125.98 1f22 h TYR 6 Ca -0.37 -0.15 0.00 0.00 0.05 0.00 0.00 58.73 58.26 1f22 h TYR 6 Cb 1.17 -0.25 0.00 0.00 1.01 0.00 0.00 36.73 38.66 1f22 h TYR 6 CO 0.49 0.88 -0.20 -1.91 -1.05 0.00 0.00 178.16 176.37 1f22 n GLU 7 N -4.34 -1.09 -3.67 4.88 0.00 -1.26 -4.98 120.64 110.18 1f22 n GLU 7 Ca 0.01 0.79 -0.15 0.00 0.00 0.00 0.00 57.16 57.81 1f22 n GLU 7 Cb 0.30 -0.88 -0.08 0.00 0.00 0.00 0.00 31.44 30.79 1f22 n GLU 7 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.13 176.33 1f22 s ASN 8 N -1.49 -0.42 0.32 4.31 0.01 -1.21 -4.85 114.94 111.60 1f22 s ASN 8 Ca 0.00 0.51 0.05 0.00 -0.71 0.00 0.00 52.86 52.71 1f22 s ASN 8 Cb 0.00 0.55 0.69 0.00 0.41 0.00 0.00 41.25 42.90 1f22 s ASN 8 CO 0.00 -0.44 1.86 0.11 -1.51 0.00 0.00 177.10 177.12 1f22 h LYS 9 N 3.90 0.82 -0.05 -0.60 1.79 -2.03 0.97 116.57 121.37 1f22 h LYS 9 Ca -0.28 -0.05 0.03 0.00 -2.18 0.00 0.00 60.65 58.17 1f22 h LYS 9 Cb 1.16 -0.18 -0.06 0.00 -1.58 0.00 0.00 32.23 31.57 1f22 h LYS 9 CO 0.35 0.54 -0.42 0.87 -1.08 0.00 0.00 179.45 179.71 1f22 h LYS 10 N 0.84 -0.53 0.00 3.15 1.79 -2.02 -3.47 116.57 116.34 1f22 h LYS 10 Ca 0.46 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.96 1f22 h LYS 10 Cb 0.57 0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.34 1f22 h LYS 10 CO -0.22 -0.35 0.00 0.41 -1.08 0.00 0.00 179.45 178.21 1f22 n GLY 11 N -1.44 1.43 3.62 3.86 0.00 0.34 -4.87 105.19 108.12 1f22 n GLY 11 Ca -0.05 -0.78 -0.43 0.00 0.00 0.00 0.00 46.02 44.76 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 6.18 -0.80 1.61 0.02 -1.25 -3.34 114.94 117.37 1f22 s ASN 12 Ca 0.00 1.60 -0.25 0.00 -1.02 0.00 0.00 52.86 53.19 1f22 s ASN 12 Cb 0.00 -2.53 -0.03 0.00 0.02 0.00 0.00 41.25 38.71 1f22 s ASN 12 CO 0.00 -1.42 1.88 -0.69 0.02 0.00 0.00 177.10 176.89 1f22 s VAL 13 N 5.84 3.44 -0.93 1.60 1.01 -1.26 -2.24 120.40 127.87 1f22 s VAL 13 Ca 0.77 -0.15 -0.19 0.00 0.00 0.00 0.00 61.98 62.40 1f22 s VAL 13 Cb -0.26 -4.05 0.12 0.00 0.00 0.00 0.00 36.38 32.20 1f22 s VAL 13 CO 0.32 -1.00 1.15 -0.89 0.00 0.00 0.00 175.10 174.67 1f22 s THR 14 N 9.39 4.66 -0.37 3.92 2.01 -0.51 -3.56 115.64 131.16 1f22 s THR 14 Ca 0.67 -1.49 -0.13 0.00 0.31 0.00 0.00 61.69 61.05 1f22 s THR 14 Cb -0.09 -4.80 0.01 0.00 0.01 0.00 0.00 72.50 67.64 1f22 s THR 14 CO 0.07 -1.54 0.25 0.72 -0.69 0.00 0.00 174.62 173.43 1f22 s PHE 15 N 2.89 3.23 0.79 4.92 -0.71 -0.13 -4.96 117.98 124.00 1f22 s PHE 15 Ca 0.33 -0.59 -0.14 0.00 -1.04 0.00 0.00 56.93 55.49 1f22 s PHE 15 Cb -0.05 -2.50 0.07 0.00 -1.21 0.00 0.00 43.02 39.33 1f22 s PHE 15 CO -0.09 -0.54 1.21 -3.47 -1.34 0.00 0.00 175.22 171.00 1f22 n ASP 16 N 5.09 1.15 0.09 1.98 -0.08 -1.26 -1.36 116.55 122.15 1f22 n ASP 16 Ca -0.12 0.61 0.00 0.00 -1.51 0.00 0.00 54.79 53.77 1f22 n ASP 16 Cb 0.48 -1.52 0.00 0.00 2.34 0.00 0.00 41.12 42.42 1f22 n ASP 16 CO 0.00 0.00 0.00 1.57 0.12 0.00 0.00 177.20 178.89 1f22 n HIS 17 N -3.15 -1.26 -0.23 -0.67 -0.00 -1.26 -4.53 115.22 104.12 1f22 n HIS 17 Ca 0.14 0.22 -0.02 0.00 -0.00 0.00 0.00 57.72 58.06 1f22 n HIS 17 Cb 0.50 0.36 0.09 0.00 -0.00 0.00 0.00 29.99 30.94 1f22 n HIS 17 CO 0.00 0.00 0.00 1.57 -0.00 0.00 0.00 176.34 177.91 1f22 h LYS 18 N 0.00 0.69 -0.45 1.57 -0.00 -1.80 0.67 116.57 117.26 1f22 h LYS 18 Ca 0.00 -0.04 0.05 0.00 -0.00 0.00 0.00 60.65 60.66 1f22 h LYS 18 Cb 0.09 -0.16 -0.07 0.00 -0.00 0.00 0.00 32.23 32.09 1f22 h LYS 18 CO 0.00 0.46 -0.47 0.00 -0.00 0.00 0.00 179.45 179.44 1f22 h ALA 19 N 1.32 -0.65 -0.62 0.07 0.00 -1.91 0.34 119.26 117.82 1f22 h ALA 19 Ca 0.28 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.24 1f22 h ALA 19 Cb 0.13 1.12 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 1f22 h ALA 19 CO -0.16 -0.90 0.41 0.45 0.00 0.00 0.00 179.25 179.06 1f22 h HIS 20 N -0.26 0.73 0.48 0.00 3.86 -1.66 0.62 115.15 118.92 1f22 h HIS 20 Ca 0.08 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.28 1f22 h HIS 20 Cb 0.46 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 28.69 1f22 h HIS 20 CO -0.78 0.44 -0.23 0.00 0.86 0.00 0.00 177.93 178.22 1f22 h ALA 21 N 1.63 -0.65 -0.11 2.45 0.00 0.39 -1.66 119.26 121.31 1f22 h ALA 21 Ca 0.24 -0.15 -0.22 0.00 0.00 0.00 0.00 54.91 54.78 1f22 h ALA 21 Cb 0.02 0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.06 1f22 h ALA 21 CO -0.06 -0.84 -0.80 1.05 0.00 0.00 0.00 179.25 178.60 1f22 h GLU 22 N -0.69 0.67 0.44 0.00 4.11 0.20 0.74 114.58 120.05 1f22 h GLU 22 Ca -0.07 -0.56 -0.02 0.00 0.07 0.00 0.00 59.36 58.78 1f22 h GLU 22 Cb 0.52 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1f22 h GLU 22 CO 0.11 1.18 -0.21 0.87 0.07 0.00 0.00 179.01 181.03 1f22 h LYS 23 N 0.45 -0.57 0.00 1.06 1.79 -0.98 -3.39 116.57 114.93 1f22 h LYS 23 Ca -0.05 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 1f22 h LYS 23 Cb 1.41 0.13 0.00 0.00 -1.58 0.00 0.00 32.23 32.19 1f22 h LYS 23 CO 0.16 -0.34 -0.32 -0.07 -1.08 0.00 0.00 179.45 177.80 1f22 h LEU 24 N -0.66 0.00 0.00 2.94 -0.00 -1.24 -3.51 115.31 112.84 1f22 h LEU 24 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.82 1f22 h LEU 24 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.15 1f22 h LEU 24 CO 0.10 0.59 0.00 0.61 -0.00 0.00 0.00 178.44 179.74 1f22 n GLY 25 N 1.68 -0.79 0.00 0.83 0.00 0.26 -4.97 105.19 102.20 1f22 n GLY 25 Ca -0.04 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 -0.10 -0.29 0.00 5.75 -1.24 -0.39 116.55 120.28 1f22 n ASP 27 Ca 0.00 0.65 0.25 0.00 -0.01 0.00 0.00 54.79 55.69 1f22 n ASP 27 Cb 0.00 -0.22 0.47 0.00 -1.03 0.00 0.00 41.12 40.35 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 -3.69 0.82 -0.00 2.12 0.00 -1.26 -3.02 120.51 115.49 1f22 n ALA 28 Ca 0.07 0.92 -0.00 0.00 0.00 0.00 0.00 53.44 54.44 1f22 n ALA 28 Cb 0.24 -0.87 -0.00 0.00 0.00 0.00 0.00 19.45 18.82 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 -2.70 4.21 0.37 0.00 8.25 0.48 -4.88 115.22 120.95 1f22 n HIS 30 Ca -0.01 -3.49 -0.19 0.00 -0.26 0.00 0.00 57.72 53.78 1f22 n HIS 30 Cb 0.50 -1.52 -0.10 0.00 1.12 0.00 0.00 29.99 30.00 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 6.18 -1.05 0.00 -0.41 5.08 -1.77 -3.29 114.58 119.31 1f22 h GLU 31 Ca 0.19 0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1f22 h GLU 31 Cb 0.78 0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.27 1f22 h GLU 31 CO 1.12 -0.70 -0.02 0.78 -1.00 0.00 0.00 179.01 179.18 1f22 h GLY 32 N -1.09 0.00 -5.03 -3.84 0.00 -1.90 -3.45 103.07 87.76 1f22 h GLY 32 Ca -0.08 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.21 1f22 h GLY 32 CO 0.04 0.00 0.08 -1.59 0.00 0.00 0.00 176.54 175.07 1f22 s THR 33 N -1.07 -0.00 0.01 4.70 2.01 -1.26 -5.13 115.64 114.90 1f22 s THR 33 Ca -0.01 0.00 -0.30 0.00 0.31 0.00 0.00 61.69 61.69 1f22 s THR 33 Cb 0.00 -0.97 -0.05 0.00 0.01 0.00 0.00 72.50 71.49 1f22 s THR 33 CO 0.01 0.00 1.33 -2.16 -0.69 0.00 0.00 174.62 173.11 1f22 s PRO 34 N 0.59 4.32 -0.36 4.92 0.04 -1.26 -4.89 135.00 138.37 1f22 s PRO 34 Ca -0.02 1.89 0.13 0.00 0.04 0.00 0.00 61.00 63.05 1f22 s PRO 34 Cb -0.05 -3.50 0.42 0.00 0.04 0.00 0.00 34.50 31.41 1f22 s PRO 34 CO -0.03 -0.49 1.29 0.00 0.04 0.00 0.00 177.00 177.82 1f22 n ALA 35 N 4.97 2.19 -1.28 8.56 0.00 -1.26 -5.10 120.51 128.59 1f22 n ALA 35 Ca 0.12 -1.76 0.00 0.00 0.00 0.00 0.00 53.44 51.80 1f22 n ALA 35 Cb 0.44 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.96 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 -0.70 -3.56 -0.02 0.00 5.02 -1.26 -5.00 118.16 112.65 1f22 n LYS 36 Ca -0.03 2.69 -0.00 0.00 -2.02 0.00 0.00 58.31 58.95 1f22 n LYS 36 Cb 0.85 -3.14 -0.05 0.00 -0.02 0.00 0.00 35.03 32.67 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 -1.43 0.21 0.00 -0.18 5.41 -1.26 -5.04 119.36 117.07 1f22 n ILE 37 Ca 0.00 -0.19 0.00 0.00 1.00 0.00 0.00 62.75 63.56 1f22 n ILE 37 Cb 0.13 -0.30 0.00 0.00 -0.71 0.00 0.00 39.64 38.77 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 -1.98 0.00 -3.47 -1.39 0.00 -1.26 -4.68 120.51 107.73 1f22 n ALA 38 Ca -0.05 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.18 1f22 n ALA 38 Cb 0.44 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.90 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 -5.84 -1.87 0.00 2.08 -1.26 -4.98 119.36 107.49 1f22 n ILE 39 Ca 0.00 0.06 -0.31 0.00 0.56 0.00 0.00 62.75 63.06 1f22 n ILE 39 Cb 0.00 -4.44 0.02 0.00 -0.75 0.00 0.00 39.64 34.47 1f22 n ILE 39 CO 0.00 0.00 0.00 1.51 0.56 0.00 0.00 176.55 178.62 1f22 s ASP 40 N -2.61 6.09 0.24 4.38 -4.77 -1.26 -4.62 116.67 114.12 1f22 s ASP 40 Ca 0.11 1.37 -0.11 0.00 -3.30 0.00 0.00 52.55 50.62 1f22 s ASP 40 Cb -0.02 -2.38 0.34 0.00 -1.09 0.00 0.00 42.92 39.77 1f22 s ASP 40 CO 0.85 -0.96 1.45 2.29 0.70 0.00 0.00 175.17 179.50 1f22 n LYS 41 N -2.80 -0.14 -0.18 2.11 2.85 -1.26 0.00 118.16 118.75 1f22 n LYS 41 Ca 0.06 1.44 -0.03 0.00 -1.05 0.00 0.00 58.31 58.74 1f22 n LYS 41 Cb 0.55 -2.15 0.04 0.00 -0.65 0.00 0.00 35.03 32.81 1f22 n LYS 41 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 177.40 178.22 1f22 h LYS 42 N 0.00 -0.06 0.10 -1.58 1.79 -1.98 0.18 116.57 115.02 1f22 h LYS 42 Ca 0.39 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.86 1f22 h LYS 42 Cb 0.63 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.29 1f22 h LYS 42 CO -0.94 -0.04 -0.05 0.77 -1.08 0.00 0.00 179.45 178.11 1f22 h SER 43 N -0.06 -0.12 -0.05 0.86 0.02 -1.26 -3.33 113.55 109.61 1f22 h SER 43 Ca 0.26 -0.27 0.04 0.00 -0.84 0.00 0.00 61.79 60.98 1f22 h SER 43 Cb 0.46 0.03 -0.06 0.00 0.14 0.00 0.00 62.40 62.97 1f22 h SER 43 CO -0.60 0.48 -0.40 0.00 -1.14 0.00 0.00 176.83 175.17 1f22 h ALA 44 N -0.67 -0.60 0.00 3.77 0.00 -0.25 0.12 119.26 121.63 1f22 h ALA 44 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1f22 h ALA 44 Cb 0.38 0.73 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1f22 h ALA 44 CO 0.02 -0.92 0.00 0.45 0.00 0.00 0.00 179.25 178.80 1f22 h HIS 45 N -0.53 0.00 0.00 0.00 -0.00 -1.17 -3.06 115.15 110.39 1f22 h HIS 45 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.43 1f22 h HIS 45 Cb 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.04 1f22 h HIS 45 CO -0.43 0.00 0.00 1.17 -0.00 0.00 0.00 177.93 178.67 1f22 n LYS 46 N -2.83 0.00 -2.73 2.45 0.00 -0.67 -4.89 118.16 109.48 1f22 n LYS 46 Ca 0.02 0.30 -0.07 0.00 0.00 0.00 0.00 58.31 58.56 1f22 n LYS 46 Cb 0.37 -0.79 0.06 0.00 0.00 0.00 0.00 35.03 34.66 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 -1.41 -2.52 0.00 3.14 8.00 0.34 -4.64 116.55 119.47 1f22 n ASP 47 Ca 0.00 -2.97 0.00 0.00 0.71 0.00 0.00 54.79 52.53 1f22 n ASP 47 Cb 0.00 1.59 0.00 0.00 -0.02 0.00 0.00 41.12 42.69 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 1.57 2.63 0.28 2.24 0.00 -0.90 -4.62 120.51 121.71 1f22 n ALA 48 Ca 0.07 -0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.35 1f22 n ALA 48 Cb 0.65 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 20.02 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 -0.83 0.00 0.09 0.00 1.57 -1.87 -0.26 116.57 115.26 1f22 h LYS 50 Ca -0.07 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1f22 h LYS 50 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.90 1f22 h LYS 50 CO 0.12 0.00 -0.04 0.00 -0.57 0.00 0.00 179.45 178.95 1f22 h THR 51 N 0.00 0.96 -0.05 -0.16 1.03 -1.76 0.25 112.91 113.18 1f22 h THR 51 Ca 0.07 -0.15 -0.01 0.00 -0.01 0.00 0.00 66.41 66.31 1f22 h THR 51 Cb 0.30 1.06 -0.00 0.00 -1.07 0.00 0.00 68.15 68.44 1f22 h THR 51 CO -0.00 0.04 0.00 0.00 -0.01 0.00 0.00 175.52 175.55 1f22 h HIS 53 N -0.20 0.00 -0.11 0.00 -0.00 -0.66 0.27 115.15 114.45 1f22 h HIS 53 Ca 0.01 0.00 0.05 0.00 -0.00 0.00 0.00 60.37 60.43 1f22 h HIS 53 Cb 0.33 0.00 -0.06 0.00 -0.00 0.00 0.00 27.41 27.68 1f22 h HIS 53 CO 0.03 0.13 -0.30 0.87 -0.00 0.00 0.00 177.93 178.66 1f22 h LYS 54 N 0.00 -0.37 -0.64 2.45 1.57 -0.57 0.16 116.57 119.18 1f22 h LYS 54 Ca -0.00 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1f22 h LYS 54 Cb 0.27 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.64 1f22 h LYS 54 CO 0.02 -0.24 0.41 1.03 -0.57 0.00 0.00 179.45 180.09 1f22 h SER 55 N -0.38 0.75 0.17 0.86 0.87 -0.62 -3.02 113.55 112.18 1f22 h SER 55 Ca 0.09 -0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.61 1f22 h SER 55 Cb 0.52 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.30 1f22 h SER 55 CO -0.33 0.56 -0.08 0.78 -0.53 0.00 0.00 176.83 177.23 1f22 h ASN 56 N 0.86 -0.20 0.00 6.23 2.35 -0.83 -3.45 115.58 120.55 1f22 h ASN 56 Ca 0.23 -0.19 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1f22 h ASN 56 Cb -0.07 0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.35 1f22 h ASN 56 CO -0.05 0.08 0.00 0.59 -1.65 0.00 0.00 177.43 176.41 1f22 n ASN 57 N -5.08 0.00 -1.04 5.81 3.02 0.05 -5.09 115.26 112.94 1f22 n ASN 57 Ca -0.09 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.46 1f22 n ASN 57 Cb 0.20 0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.42 1f22 n ASN 57 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1f22 n GLY 58 N -0.08 0.62 3.55 7.41 0.00 0.34 -4.95 105.19 112.09 1f22 n GLY 58 Ca 0.00 -0.42 -0.38 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.69 2.58 -0.11 1.61 0.04 -1.26 -4.80 135.00 130.38 1f22 s PRO 59 Ca 0.00 0.64 -0.07 0.00 0.04 0.00 0.00 61.00 61.61 1f22 s PRO 59 Cb 0.00 -4.42 -0.02 0.00 0.04 0.00 0.00 34.50 30.10 1f22 s PRO 59 CO 0.00 -2.80 -0.14 0.25 0.04 0.00 0.00 177.00 174.35 1f22 n THR 60 N 7.29 1.05 -0.71 1.26 -2.24 -1.26 -4.59 114.28 115.07 1f22 n THR 60 Ca 0.22 0.29 -0.12 0.00 -2.27 0.00 0.00 64.05 62.17 1f22 n THR 60 Cb 0.52 -2.16 -0.09 0.00 -2.10 0.00 0.00 70.33 66.50 1f22 n THR 60 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1f22 n LYS 61 N -3.99 1.59 0.00 -0.78 4.76 -1.26 -4.94 118.16 113.54 1f22 n LYS 61 Ca -0.06 -0.89 0.00 0.00 -2.87 0.00 0.00 58.31 54.50 1f22 n LYS 61 Cb 0.21 -1.99 0.00 0.00 -1.84 0.00 0.00 35.03 31.41 1f22 n LYS 61 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1f22 n GLY 63 N 0.00 -1.05 2.06 0.00 0.00 -1.26 -4.80 105.19 100.14 1f22 n GLY 63 Ca 0.00 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.48 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 -1.83 -0.69 0.75 -0.02 0.00 -1.26 -5.04 105.19 97.09 1f22 n GLY 64 Ca -0.16 0.09 -0.09 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.15 2.05 -0.71 0.00 3.76 -1.26 -1.43 115.29 115.55 1f22 s HIS 66 Ca -0.11 0.60 -0.26 0.00 -0.15 0.00 0.00 55.06 55.14 1f22 s HIS 66 Cb 0.04 -4.09 -0.01 0.00 1.11 0.00 0.00 32.58 29.63 1f22 s HIS 66 CO 0.14 -2.77 1.76 0.42 -0.85 0.00 0.00 174.74 173.44 1f22 s ILE 67 N 5.85 3.46 0.00 0.60 -1.09 -0.95 -4.74 121.20 124.33 1f22 s ILE 67 Ca 0.73 0.07 0.00 0.00 -2.23 0.00 0.00 60.65 59.22 1f22 s ILE 67 Cb -0.22 -4.17 0.00 0.00 -1.58 0.00 0.00 42.46 36.49 1f22 s ILE 67 CO 0.31 -1.12 0.00 1.17 -1.23 0.00 0.00 174.94 174.07