#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 0.93 -0.01 0.00 9.92 -1.26 -4.25 116.55 121.88 1f22 n ASP 2 Ca 0.00 -2.36 0.00 0.00 -0.53 0.00 0.00 54.79 51.90 1f22 n ASP 2 Cb 0.00 -1.13 0.00 0.00 -0.64 0.00 0.00 41.12 39.35 1f22 n ASP 2 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1f22 n VAL 3 N 7.84 -0.91 -3.87 2.53 0.31 -1.26 -4.75 118.33 118.23 1f22 n VAL 3 Ca 0.40 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.62 1f22 n VAL 3 Cb 0.44 -0.91 0.01 0.00 -0.91 0.00 0.00 33.84 32.48 1f22 n VAL 3 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1f22 s VAL 4 N -0.86 0.00 0.03 2.52 0.11 -1.09 -4.95 120.40 116.15 1f22 s VAL 4 Ca 0.00 -1.13 -0.19 0.00 -2.93 0.00 0.00 61.98 57.73 1f22 s VAL 4 Cb 0.00 -2.89 0.04 0.00 -1.53 0.00 0.00 36.38 32.00 1f22 s VAL 4 CO 0.00 0.00 0.42 0.28 -3.33 0.00 0.00 175.10 172.47 1f22 s THR 5 N -2.35 0.05 -0.55 5.04 -1.32 -1.26 -0.73 115.64 114.53 1f22 s THR 5 Ca 0.19 -0.41 -0.10 0.00 -1.21 0.00 0.00 61.69 60.16 1f22 s THR 5 Cb -0.04 -0.90 0.14 0.00 -1.51 0.00 0.00 72.50 70.19 1f22 s THR 5 CO 0.14 -0.23 0.43 -0.31 -2.21 0.00 0.00 174.62 172.44 1f22 s TYR 6 N -2.17 3.46 0.40 9.09 1.51 -1.21 -4.95 117.35 123.47 1f22 s TYR 6 Ca -0.07 -1.96 -0.26 0.00 -1.01 0.00 0.00 57.07 53.77 1f22 s TYR 6 Cb -0.01 -3.53 -0.11 0.00 -0.11 0.00 0.00 41.96 38.20 1f22 s TYR 6 CO -0.00 -0.98 1.28 -0.85 -1.11 0.00 0.00 175.55 173.90 1f22 n GLU 7 N 4.62 2.02 -3.86 -0.62 -0.00 -1.26 -2.76 120.64 118.78 1f22 n GLU 7 Ca -0.03 0.71 -0.08 0.00 -0.00 0.00 0.00 57.16 57.76 1f22 n GLU 7 Cb 0.41 -2.38 -0.01 0.00 -0.00 0.00 0.00 31.44 29.47 1f22 n GLU 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1f22 s ASN 8 N -0.45 -0.09 0.22 -1.84 2.20 -1.26 -4.92 114.94 108.80 1f22 s ASN 8 Ca 0.59 -0.88 0.25 0.00 -0.94 0.00 0.00 52.86 51.88 1f22 s ASN 8 Cb -0.52 0.76 0.63 0.00 -2.00 0.00 0.00 41.25 40.12 1f22 s ASN 8 CO 0.60 -1.46 1.64 0.11 -2.94 0.00 0.00 177.10 175.05 1f22 h LYS 9 N 2.03 0.00 0.06 3.55 1.79 -2.04 -3.28 116.57 118.69 1f22 h LYS 9 Ca -0.25 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.22 1f22 h LYS 9 Cb 1.25 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.90 1f22 h LYS 9 CO 0.31 0.00 -0.03 0.87 -1.08 0.00 0.00 179.45 179.52 1f22 h LYS 10 N 0.00 -0.08 0.00 3.15 1.79 -1.99 -3.49 116.57 115.95 1f22 h LYS 10 Ca 0.00 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 1f22 h LYS 10 Cb 0.78 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.45 1f22 h LYS 10 CO 0.00 -0.05 0.00 0.41 -1.08 0.00 0.00 179.45 178.73 1f22 n GLY 11 N 0.99 -1.76 2.49 3.86 0.00 -1.23 -4.70 105.19 104.84 1f22 n GLY 11 Ca -0.01 0.61 -0.04 0.00 0.00 0.00 0.00 46.02 46.59 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 -2.68 -4.56 1.61 5.03 -1.26 -0.74 115.26 112.67 1f22 n ASN 12 Ca 0.00 1.21 -0.39 0.00 0.87 0.00 0.00 54.58 56.27 1f22 n ASN 12 Cb 0.00 -4.78 -0.03 0.00 -1.02 0.00 0.00 39.78 33.95 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 -0.86 3.35 -0.19 2.41 1.01 -1.11 -4.35 120.40 120.65 1f22 s VAL 13 Ca -0.18 0.24 -0.28 0.00 0.00 0.00 0.00 61.98 61.76 1f22 s VAL 13 Cb 0.01 -3.81 -0.05 0.00 0.00 0.00 0.00 36.38 32.53 1f22 s VAL 13 CO 0.70 -0.74 2.18 -0.89 0.00 0.00 0.00 175.10 176.35 1f22 s THR 14 N 8.95 3.02 -0.70 3.92 2.01 -1.24 -3.31 115.64 128.29 1f22 s THR 14 Ca 0.72 0.02 -0.25 0.00 0.31 0.00 0.00 61.69 62.50 1f22 s THR 14 Cb -0.15 -3.03 0.05 0.00 0.01 0.00 0.00 72.50 69.39 1f22 s THR 14 CO 0.24 -0.02 1.12 -0.36 -0.69 0.00 0.00 174.62 174.91 1f22 s PHE 15 N 7.84 2.50 -0.64 4.92 0.40 0.10 -4.93 117.98 128.16 1f22 s PHE 15 Ca 0.99 -0.34 -0.17 0.00 -0.60 0.00 0.00 56.93 56.80 1f22 s PHE 15 Cb -0.34 -4.45 -0.15 0.00 0.51 0.00 0.00 43.02 38.59 1f22 s PHE 15 CO 0.36 -1.85 1.85 -0.25 0.70 0.00 0.00 175.22 176.03 1f22 n ASP 16 N 8.47 2.70 0.00 1.36 9.92 -1.26 -2.69 116.55 135.06 1f22 n ASP 16 Ca 0.00 -2.51 -0.00 0.00 -0.53 0.00 0.00 54.79 51.75 1f22 n ASP 16 Cb 0.47 -0.97 -0.00 0.00 -0.64 0.00 0.00 41.12 39.98 1f22 n ASP 16 CO 0.00 0.00 0.00 -0.74 0.13 0.00 0.00 177.20 176.59 1f22 h HIS 17 N 7.79 -0.01 -0.21 1.24 2.76 -1.91 0.19 115.15 125.01 1f22 h HIS 17 Ca 0.38 -0.00 0.05 0.00 -2.20 0.00 0.00 60.37 58.61 1f22 h HIS 17 Cb 0.49 0.00 -0.06 0.00 1.55 0.00 0.00 27.41 29.39 1f22 h HIS 17 CO 1.45 -0.00 -0.17 -0.22 -1.30 0.00 0.00 177.93 177.70 1f22 h LYS 18 N -0.01 -0.16 -0.20 5.26 3.64 -1.85 0.14 116.57 123.39 1f22 h LYS 18 Ca -0.00 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.41 1f22 h LYS 18 Cb 0.01 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.83 1f22 h LYS 18 CO 0.00 -0.11 -0.22 0.00 -2.27 0.00 0.00 179.45 176.86 1f22 h ALA 19 N 0.95 -0.43 -0.27 5.00 0.00 -1.94 0.21 119.26 122.78 1f22 h ALA 19 Ca 0.12 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1f22 h ALA 19 Cb 0.35 0.92 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1f22 h ALA 19 CO -0.31 -0.55 0.15 0.45 0.00 0.00 0.00 179.25 178.99 1f22 h HIS 20 N -0.13 0.35 0.28 0.00 3.86 -0.38 0.79 115.15 119.93 1f22 h HIS 20 Ca 0.03 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.23 1f22 h HIS 20 Cb 0.22 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 28.57 1f22 h HIS 20 CO -0.71 0.24 -0.14 0.00 0.86 0.00 0.00 177.93 178.19 1f22 h ALA 21 N 1.80 -0.38 -0.15 2.45 0.00 0.41 0.16 119.26 123.54 1f22 h ALA 21 Ca 0.10 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 1f22 h ALA 21 Cb 0.00 0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1f22 h ALA 21 CO -0.02 -0.71 -0.49 1.05 0.00 0.00 0.00 179.25 179.08 1f22 h GLU 22 N -0.38 0.60 -0.02 0.00 4.11 -0.04 0.58 114.58 119.42 1f22 h GLU 22 Ca -0.04 -0.44 0.02 0.00 0.07 0.00 0.00 59.36 58.97 1f22 h GLU 22 Cb 0.29 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 1f22 h GLU 22 CO 0.06 1.06 -0.09 0.87 0.07 0.00 0.00 179.01 180.99 1f22 h LYS 23 N 0.25 -0.14 0.00 1.06 1.79 -0.90 -3.38 116.57 115.25 1f22 h LYS 23 Ca -0.02 0.01 -0.45 0.00 -2.18 0.00 0.00 60.65 58.01 1f22 h LYS 23 Cb 1.12 0.03 -0.07 0.00 -1.58 0.00 0.00 32.23 31.73 1f22 h LYS 23 CO 0.10 -0.09 -2.50 1.28 -1.08 0.00 0.00 179.45 177.16 1f22 n LEU 24 N -5.22 2.00 0.00 2.94 4.77 0.55 -5.07 117.00 116.98 1f22 n LEU 24 Ca -0.05 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 1f22 n LEU 24 Cb 0.14 -0.80 0.00 0.00 -2.33 0.00 0.00 43.42 40.43 1f22 n LEU 24 CO 0.28 0.60 0.00 0.61 -1.33 0.00 0.00 177.39 177.55 1f22 n GLY 25 N 1.41 0.77 0.00 -0.72 0.00 0.20 -4.85 105.19 102.00 1f22 n GLY 25 Ca -0.52 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.36 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 0.06 -1.02 0.00 5.19 -1.88 0.91 116.42 119.67 1f22 h ASP 27 Ca 0.00 0.19 0.40 0.00 -0.62 0.00 0.00 57.03 57.00 1f22 h ASP 27 Cb 0.00 0.25 -0.17 0.00 0.18 0.00 0.00 39.33 39.59 1f22 h ASP 27 CO 0.00 -0.14 0.57 0.00 -3.12 0.00 0.00 179.24 176.55 1f22 h ALA 28 N 1.77 2.16 0.00 3.45 0.00 -1.94 -3.17 119.26 121.54 1f22 h ALA 28 Ca 0.56 0.24 -0.05 0.00 0.00 0.00 0.00 54.91 55.66 1f22 h ALA 28 Cb 1.12 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 1f22 h ALA 28 CO -0.64 -0.90 -1.20 0.00 0.00 0.00 0.00 179.25 176.51 1f22 s HIS 30 N -2.07 2.95 0.00 0.00 3.76 0.09 -5.05 115.29 114.97 1f22 s HIS 30 Ca -0.05 -1.88 0.00 0.00 -0.15 0.00 0.00 55.06 52.98 1f22 s HIS 30 Cb 0.01 -1.92 0.00 0.00 1.11 0.00 0.00 32.58 31.78 1f22 s HIS 30 CO 0.08 -0.83 0.00 0.39 -0.85 0.00 0.00 174.74 173.52 1f22 n GLU 31 N 4.56 0.00 -1.93 1.40 1.02 -1.26 -3.35 120.64 121.08 1f22 n GLU 31 Ca -0.19 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 56.71 1f22 n GLU 31 Cb 0.47 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.82 1f22 n GLU 31 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1f22 s GLY 32 N 0.00 -0.17 0.00 0.62 0.00 -1.26 -4.43 107.32 102.08 1f22 s GLY 32 Ca 0.00 -1.76 0.00 0.00 0.00 0.00 0.00 44.72 42.96 1f22 s GLY 32 CO 0.00 3.74 0.00 2.41 0.00 0.00 0.00 173.10 179.25 1f22 n THR 33 N 8.15 -1.05 -2.38 0.90 -1.04 -1.26 -4.99 114.28 112.60 1f22 n THR 33 Ca 0.43 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 62.02 1f22 n THR 33 Cb 0.46 -1.50 -0.02 0.00 -1.82 0.00 0.00 70.33 67.45 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 -1.32 4.26 -0.38 -2.82 0.04 -1.26 -4.91 135.00 128.61 1f22 s PRO 34 Ca 0.00 1.73 0.11 0.00 0.04 0.00 0.00 61.00 62.89 1f22 s PRO 34 Cb 0.00 -3.71 0.35 0.00 0.04 0.00 0.00 34.50 31.17 1f22 s PRO 34 CO 0.00 -0.64 0.77 0.00 0.04 0.00 0.00 177.00 177.17 1f22 n ALA 35 N 6.19 1.69 -1.16 8.56 0.00 -1.26 -5.10 120.51 129.43 1f22 n ALA 35 Ca 0.13 -3.19 0.13 0.00 0.00 0.00 0.00 53.44 50.51 1f22 n ALA 35 Cb 0.45 -0.95 -0.05 0.00 0.00 0.00 0.00 19.45 18.89 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 0.30 -2.20 -0.09 0.00 2.85 -1.26 -4.94 118.16 112.82 1f22 n LYS 36 Ca 0.23 1.68 -0.16 0.00 -1.05 0.00 0.00 58.31 59.01 1f22 n LYS 36 Cb 0.66 -2.77 -0.08 0.00 -0.65 0.00 0.00 35.03 32.19 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 -3.67 1.06 -0.33 0.58 5.41 -1.26 -5.05 119.36 116.10 1f22 n ILE 37 Ca -0.04 -0.35 0.00 0.00 1.00 0.00 0.00 62.75 63.36 1f22 n ILE 37 Cb 0.59 -1.39 0.00 0.00 -0.71 0.00 0.00 39.64 38.14 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 -3.36 -0.00 -2.31 -1.39 0.00 -1.26 -5.06 120.51 107.13 1f22 n ALA 38 Ca -0.35 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.66 1f22 n ALA 38 Cb 0.82 -0.08 -0.02 0.00 0.00 0.00 0.00 19.45 20.16 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 -1.38 3.95 0.29 0.00 -1.09 -1.26 -4.78 121.20 116.93 1f22 s ILE 39 Ca 0.00 1.04 0.00 0.00 -2.23 0.00 0.00 60.65 59.47 1f22 s ILE 39 Cb 0.00 -4.03 0.00 0.00 -1.58 0.00 0.00 42.46 36.86 1f22 s ILE 39 CO 0.00 -0.48 0.01 -0.90 -1.23 0.00 0.00 174.94 172.33 1f22 n ASP 40 N 8.20 2.78 -0.17 3.58 5.75 -1.26 -4.96 116.55 130.47 1f22 n ASP 40 Ca 0.16 -2.26 -0.03 0.00 -0.01 0.00 0.00 54.79 52.65 1f22 n ASP 40 Cb 0.46 0.20 0.03 0.00 -1.03 0.00 0.00 41.12 40.78 1f22 n ASP 40 CO 0.00 0.00 0.00 0.07 -0.11 0.00 0.00 177.20 177.16 1f22 h LYS 41 N 0.00 -0.07 0.46 0.11 5.09 -1.98 0.17 116.57 120.35 1f22 h LYS 41 Ca -0.24 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.49 1f22 h LYS 41 Cb 0.73 0.02 -0.02 0.00 0.10 0.00 0.00 32.23 33.05 1f22 h LYS 41 CO 0.40 -0.04 -0.48 -0.22 -2.09 0.00 0.00 179.45 177.01 1f22 h LYS 42 N -0.07 -0.91 0.74 0.07 3.64 -1.96 -2.06 116.57 116.02 1f22 h LYS 42 Ca 0.25 0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.66 1f22 h LYS 42 Cb 0.46 0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 1f22 h LYS 42 CO -0.58 -0.61 -0.40 0.77 -2.27 0.00 0.00 179.45 176.37 1f22 h SER 43 N -0.94 -0.96 -0.77 4.20 0.02 -1.82 -1.96 113.55 111.31 1f22 h SER 43 Ca -0.06 0.04 0.07 0.00 -0.84 0.00 0.00 61.79 61.01 1f22 h SER 43 Cb 0.82 0.26 -0.09 0.00 0.14 0.00 0.00 62.40 63.53 1f22 h SER 43 CO -0.07 -0.64 -0.46 0.00 -1.14 0.00 0.00 176.83 174.52 1f22 n ALA 44 N -2.59 -0.50 1.04 3.77 0.00 0.57 -1.25 120.51 121.55 1f22 n ALA 44 Ca -0.14 0.66 0.12 0.00 0.00 0.00 0.00 53.44 54.08 1f22 n ALA 44 Cb 0.43 -0.08 0.27 0.00 0.00 0.00 0.00 19.45 20.08 1f22 n ALA 44 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1f22 n HIS 45 N -4.88 0.00 0.00 0.00 8.25 -0.78 -0.64 115.22 117.17 1f22 n HIS 45 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 1f22 n HIS 45 Cb 0.20 -0.23 0.00 0.00 1.12 0.00 0.00 29.99 31.08 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 -1.36 0.00 -2.85 -0.41 0.00 -0.38 -4.77 118.16 108.39 1f22 n LYS 46 Ca 0.07 0.27 -0.11 0.00 0.00 0.00 0.00 58.31 58.54 1f22 n LYS 46 Cb 0.34 -0.78 0.02 0.00 0.00 0.00 0.00 35.03 34.61 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 -1.32 -2.37 0.00 3.14 8.00 -0.55 -4.70 116.55 118.75 1f22 n ASP 47 Ca 0.00 -3.12 0.00 0.00 0.71 0.00 0.00 54.79 52.38 1f22 n ASP 47 Cb 0.00 1.33 0.00 0.00 -0.02 0.00 0.00 41.12 42.43 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 1.81 1.30 0.00 2.24 0.00 -1.07 -4.90 120.51 119.91 1f22 n ALA 48 Ca 0.13 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.51 1f22 n ALA 48 Cb 0.60 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.01 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 -4.84 2.05 0.00 0.00 4.81 0.19 -2.76 118.16 117.61 1f22 n LYS 50 Ca -0.04 -1.39 0.00 0.00 -0.87 0.00 0.00 58.31 56.01 1f22 n LYS 50 Cb 0.16 -1.95 0.00 0.00 0.02 0.00 0.00 35.03 33.26 1f22 n LYS 50 CO 0.00 0.00 0.00 -2.37 1.17 0.00 0.00 177.40 176.20 1f22 n THR 51 N 1.79 0.00 0.01 3.15 5.66 -1.26 -4.78 114.28 118.86 1f22 n THR 51 Ca 0.41 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 61.31 1f22 n THR 51 Cb 0.75 -0.16 -0.03 0.00 -1.55 0.00 0.00 70.33 69.34 1f22 n THR 51 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1f22 n HIS 53 N -5.37 0.00 0.00 0.00 8.25 -1.21 -4.13 115.22 112.76 1f22 n HIS 53 Ca -0.03 -1.23 0.00 0.00 -0.26 0.00 0.00 57.72 56.20 1f22 n HIS 53 Cb 0.28 -1.13 0.00 0.00 1.12 0.00 0.00 29.99 30.26 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 2.14 0.00 -1.49 -0.41 5.02 -1.17 -4.57 118.16 117.68 1f22 n LYS 54 Ca 0.25 0.15 -0.29 0.00 -2.02 0.00 0.00 58.31 56.40 1f22 n LYS 54 Cb 0.71 -0.61 -0.06 0.00 -0.02 0.00 0.00 35.03 35.05 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 -1.12 6.97 -3.33 4.39 7.64 -1.26 -4.79 113.62 122.11 1f22 n SER 55 Ca 0.00 -2.94 -0.06 0.00 1.01 0.00 0.00 58.87 56.89 1f22 n SER 55 Cb 0.00 -1.36 0.01 0.00 -1.01 0.00 0.00 64.21 61.85 1f22 n SER 55 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1f22 s ASN 56 N 0.99 -0.06 0.90 6.43 2.20 -1.26 -5.16 114.94 118.97 1f22 s ASN 56 Ca 0.61 -0.80 0.00 0.00 -0.94 0.00 0.00 52.86 51.73 1f22 s ASN 56 Cb 0.29 0.67 0.00 0.00 -2.00 0.00 0.00 41.25 40.20 1f22 s ASN 56 CO -0.12 -1.30 0.00 -3.20 -2.94 0.00 0.00 177.10 169.55 1f22 n ASN 57 N -1.06 -4.69 0.00 3.54 2.85 -1.26 -4.73 115.26 109.90 1f22 n ASN 57 Ca -0.06 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.41 1f22 n ASN 57 Cb 0.60 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.62 1f22 n ASN 57 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1f22 n GLY 58 N 0.00 -0.08 3.89 8.20 0.00 -1.26 -5.06 105.19 110.89 1f22 n GLY 58 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.51 3.24 0.00 1.61 0.04 -1.26 -5.00 135.00 133.11 1f22 s PRO 59 Ca 0.00 0.38 0.00 0.00 0.04 0.00 0.00 61.00 61.42 1f22 s PRO 59 Cb 0.00 -2.18 0.00 0.00 0.04 0.00 0.00 34.50 32.36 1f22 s PRO 59 CO 0.00 -0.64 0.23 2.41 0.04 0.00 0.00 177.00 179.04 1f22 n THR 60 N -2.67 0.00 0.00 1.26 -1.04 -1.26 -4.91 114.28 105.66 1f22 n THR 60 Ca 0.05 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.05 1f22 n THR 60 Cb 0.56 0.78 -0.00 0.00 -1.82 0.00 0.00 70.33 69.84 1f22 n THR 60 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1f22 n LYS 61 N 0.00 0.06 -2.23 -2.82 4.76 -1.26 -5.01 118.16 111.66 1f22 n LYS 61 Ca 0.00 0.02 -0.02 0.00 -2.87 0.00 0.00 58.31 55.44 1f22 n LYS 61 Cb 0.44 -0.38 -0.01 0.00 -1.84 0.00 0.00 35.03 33.24 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 1.44 1.68 0.07 0.00 0.00 -1.26 -4.79 105.19 102.33 1f22 n GLY 63 Ca -0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 -0.50 0.00 -0.02 0.00 -1.26 -3.68 105.19 99.74 1f22 n GLY 64 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 -1.87 3.14 -1.40 0.00 3.76 -1.24 -3.67 115.29 114.01 1f22 s HIS 66 Ca 0.00 0.03 -0.12 0.00 -0.15 0.00 0.00 55.06 54.82 1f22 s HIS 66 Cb 0.00 -3.08 0.08 0.00 1.11 0.00 0.00 32.58 30.69 1f22 s HIS 66 CO 0.00 -0.69 2.13 -0.89 -0.85 0.00 0.00 174.74 174.45 1f22 n ILE 67 N 5.59 3.86 -1.08 0.60 -0.00 0.08 -4.55 119.36 123.86 1f22 n ILE 67 Ca -0.04 -3.54 0.00 0.00 -0.00 0.00 0.00 62.75 59.17 1f22 n ILE 67 Cb 0.48 -2.50 0.00 0.00 -0.00 0.00 0.00 39.64 37.62 1f22 n ILE 67 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84