#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 0.29 -2.15 0.00 9.92 -1.26 -3.62 116.55 119.72 1f22 n ASP 2 Ca 0.00 0.27 -0.02 0.00 -0.53 0.00 0.00 54.79 54.51 1f22 n ASP 2 Cb 0.00 -0.32 -0.02 0.00 -0.64 0.00 0.00 41.12 40.14 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 2.18 -8.28 -3.81 2.53 0.31 -1.26 -4.91 118.33 105.09 1f22 n VAL 3 Ca 0.18 1.37 -0.21 0.00 -0.01 0.00 0.00 64.34 65.67 1f22 n VAL 3 Cb -0.02 -5.44 -0.04 0.00 -0.91 0.00 0.00 33.84 27.44 1f22 n VAL 3 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1f22 s VAL 4 N -0.62 3.43 0.02 2.52 1.01 -0.71 -4.91 120.40 121.14 1f22 s VAL 4 Ca -0.09 -1.39 0.04 0.00 0.00 0.00 0.00 61.98 60.54 1f22 s VAL 4 Cb 0.01 -3.16 -0.02 0.00 0.00 0.00 0.00 36.38 33.21 1f22 s VAL 4 CO 0.45 -0.16 -0.12 0.28 0.00 0.00 0.00 175.10 175.55 1f22 s THR 5 N -2.33 0.94 0.00 3.92 -1.32 -1.26 -0.57 115.64 115.02 1f22 s THR 5 Ca 0.41 -0.75 0.00 0.00 -1.21 0.00 0.00 61.69 60.14 1f22 s THR 5 Cb -0.05 -0.84 0.00 0.00 -1.51 0.00 0.00 72.50 70.10 1f22 s THR 5 CO 0.26 0.09 1.27 -1.22 -2.21 0.00 0.00 174.62 172.81 1f22 n TYR 6 N 2.30 0.00 0.00 9.09 4.01 -0.38 -4.89 117.16 127.29 1f22 n TYR 6 Ca -0.16 -0.63 0.00 0.00 -0.16 0.00 0.00 57.90 56.94 1f22 n TYR 6 Cb 0.55 -0.38 0.00 0.00 -0.31 0.00 0.00 39.34 39.21 1f22 n TYR 6 CO 0.00 0.00 0.00 -0.85 -0.46 0.00 0.00 176.86 175.55 1f22 n GLU 7 N 1.40 0.00 -3.85 -0.72 0.28 -1.26 -4.71 120.64 111.77 1f22 n GLU 7 Ca 0.00 0.00 -0.23 0.00 -0.16 0.00 0.00 57.16 56.77 1f22 n GLU 7 Cb 0.36 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 33.18 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 0.00 4.73 0.07 -1.84 4.22 -1.26 -4.98 114.94 115.88 1f22 s ASN 8 Ca 0.00 -0.93 -0.16 0.00 -2.14 0.00 0.00 52.86 49.63 1f22 s ASN 8 Cb 0.00 -0.49 -0.16 0.00 1.28 0.00 0.00 41.25 41.89 1f22 s ASN 8 CO 0.00 -0.62 1.28 0.50 -2.04 0.00 0.00 177.10 176.22 1f22 h LYS 9 N 1.21 0.62 -0.26 3.55 1.63 -2.02 -3.25 116.57 118.05 1f22 h LYS 9 Ca -0.42 -0.47 0.03 0.00 -0.85 0.00 0.00 60.65 58.94 1f22 h LYS 9 Cb 1.26 0.09 -0.05 0.00 -0.60 0.00 0.00 32.23 32.93 1f22 h LYS 9 CO 0.63 1.09 -0.33 0.87 -3.45 0.00 0.00 179.45 178.26 1f22 h LYS 10 N 0.28 -0.21 0.00 1.90 1.79 -1.99 -3.44 116.57 114.90 1f22 h LYS 10 Ca -0.02 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1f22 h LYS 10 Cb 1.16 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.85 1f22 h LYS 10 CO 0.11 -0.14 0.00 0.41 -1.08 0.00 0.00 179.45 178.75 1f22 n GLY 11 N -1.22 -1.86 0.00 3.86 0.00 -1.25 -4.86 105.19 99.87 1f22 n GLY 11 Ca -0.02 0.82 0.00 0.00 0.00 0.00 0.00 46.02 46.82 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 0.00 -4.58 1.61 5.03 -1.23 -0.83 115.26 115.26 1f22 n ASN 12 Ca 0.00 0.00 -0.41 0.00 0.87 0.00 0.00 54.58 55.04 1f22 n ASN 12 Cb 0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 39.78 38.73 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 0.00 3.53 0.47 2.41 1.01 -1.26 -4.40 120.40 122.16 1f22 s VAL 13 Ca 0.00 0.47 -0.20 0.00 0.00 0.00 0.00 61.98 62.25 1f22 s VAL 13 Cb 0.00 -3.91 -0.09 0.00 0.00 0.00 0.00 36.38 32.38 1f22 s VAL 13 CO 0.00 -0.71 1.02 0.28 0.00 0.00 0.00 175.10 175.68 1f22 s THR 14 N 7.35 3.93 -0.16 3.92 -1.32 -1.26 -1.25 115.64 126.86 1f22 s THR 14 Ca 0.70 1.20 -0.06 0.00 -1.21 0.00 0.00 61.69 62.32 1f22 s THR 14 Cb -0.16 -3.49 0.08 0.00 -1.51 0.00 0.00 72.50 67.42 1f22 s THR 14 CO 0.28 -0.26 0.34 0.72 -2.21 0.00 0.00 174.62 173.48 1f22 s PHE 15 N -2.03 -0.59 -1.10 9.09 -0.71 0.26 -4.95 117.98 117.95 1f22 s PHE 15 Ca 0.66 1.22 -0.22 0.00 -1.04 0.00 0.00 56.93 57.56 1f22 s PHE 15 Cb -0.15 0.13 -0.08 0.00 -1.21 0.00 0.00 43.02 41.71 1f22 s PHE 15 CO 0.18 -0.41 1.92 -0.25 -1.34 0.00 0.00 175.22 175.33 1f22 n ASP 16 N 5.29 3.19 -0.05 1.98 9.92 -1.26 -1.74 116.55 133.87 1f22 n ASP 16 Ca -0.08 -2.73 -0.05 0.00 -0.53 0.00 0.00 54.79 51.40 1f22 n ASP 16 Cb 0.50 -1.57 -0.04 0.00 -0.64 0.00 0.00 41.12 39.38 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 8.79 -0.63 -0.30 1.24 2.76 -1.89 0.66 115.15 125.78 1f22 h HIS 17 Ca 0.32 0.03 0.07 0.00 -2.20 0.00 0.00 60.37 58.58 1f22 h HIS 17 Cb 0.84 0.29 -0.07 0.00 1.55 0.00 0.00 27.41 30.03 1f22 h HIS 17 CO 1.26 -0.19 -0.14 -0.22 -1.30 0.00 0.00 177.93 177.34 1f22 h LYS 18 N -0.16 -0.09 -0.14 5.26 3.64 -1.89 -0.95 116.57 122.24 1f22 h LYS 18 Ca 0.03 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.46 1f22 h LYS 18 Cb 0.23 0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 32.00 1f22 h LYS 18 CO -0.22 -0.06 -0.36 0.00 -2.27 0.00 0.00 179.45 176.55 1f22 h ALA 19 N 1.15 -0.44 -0.98 5.00 0.00 -1.82 0.24 119.26 122.40 1f22 h ALA 19 Ca 0.16 0.01 0.16 0.00 0.00 0.00 0.00 54.91 55.24 1f22 h ALA 19 Cb 0.33 0.67 -0.09 0.00 0.00 0.00 0.00 17.79 18.71 1f22 h ALA 19 CO -0.36 -0.84 0.61 0.45 0.00 0.00 0.00 179.25 179.11 1f22 h HIS 20 N -0.43 1.02 0.39 0.00 3.86 -0.60 0.66 115.15 120.05 1f22 h HIS 20 Ca 0.09 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.32 1f22 h HIS 20 Cb 0.58 -0.32 -0.01 0.00 1.06 0.00 0.00 27.41 28.72 1f22 h HIS 20 CO -0.44 0.32 -0.25 0.00 0.86 0.00 0.00 177.93 178.42 1f22 h ALA 21 N 1.60 -0.62 -0.46 2.45 0.00 0.72 0.43 119.26 123.39 1f22 h ALA 21 Ca 0.52 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 55.21 1f22 h ALA 21 Cb 0.74 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1f22 h ALA 21 CO -0.29 -0.86 -0.14 1.05 0.00 0.00 0.00 179.25 179.00 1f22 h GLU 22 N -0.62 0.90 -0.43 0.00 4.11 0.25 0.65 114.58 119.44 1f22 h GLU 22 Ca -0.04 -0.36 -0.11 0.00 0.07 0.00 0.00 59.36 58.92 1f22 h GLU 22 Cb 0.52 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1f22 h GLU 22 CO 0.03 1.01 -0.15 0.87 0.07 0.00 0.00 179.01 180.83 1f22 h LYS 23 N 0.74 0.87 0.00 1.06 1.79 -0.88 -3.38 116.57 116.76 1f22 h LYS 23 Ca 0.11 -0.36 -0.16 0.00 -2.18 0.00 0.00 60.65 58.06 1f22 h LYS 23 Cb 0.69 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.28 1f22 h LYS 23 CO 0.05 1.00 -1.35 1.28 -1.08 0.00 0.00 179.45 179.35 1f22 n LEU 24 N -4.24 1.90 0.00 2.94 4.77 0.14 -5.09 117.00 117.43 1f22 n LEU 24 Ca -0.01 0.42 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 1f22 n LEU 24 Cb 0.41 -0.83 0.00 0.00 -2.33 0.00 0.00 43.42 40.67 1f22 n LEU 24 CO 0.44 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 1f22 n GLY 25 N 1.43 -0.35 0.00 -0.72 0.00 0.22 -4.91 105.19 100.87 1f22 n GLY 25 Ca -0.26 0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.25 -0.11 0.00 5.75 -1.26 -1.93 116.55 118.74 1f22 n ASP 27 Ca 0.00 0.63 0.03 0.00 -0.01 0.00 0.00 54.79 55.44 1f22 n ASP 27 Cb 0.00 -0.14 0.07 0.00 -1.03 0.00 0.00 41.12 40.02 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 -3.80 0.12 -0.23 2.12 0.00 -1.26 -0.76 120.51 116.69 1f22 n ALA 28 Ca 0.03 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1f22 n ALA 28 Cb 0.14 -0.22 0.00 0.00 0.00 0.00 0.00 19.45 19.37 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 -0.01 -0.68 0.25 0.00 8.25 0.06 -4.94 115.22 118.16 1f22 n HIS 30 Ca 0.00 -3.35 -0.11 0.00 -0.26 0.00 0.00 57.72 54.01 1f22 n HIS 30 Cb 0.06 0.11 -0.05 0.00 1.12 0.00 0.00 29.99 31.23 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 3.15 -0.67 0.36 -0.41 5.08 -1.82 -3.40 114.58 116.86 1f22 h GLU 31 Ca 0.04 0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 1f22 h GLU 31 Cb 0.99 0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1f22 h GLU 31 CO 0.41 -0.44 -0.17 0.78 -1.00 0.00 0.00 179.01 178.59 1f22 h GLY 32 N -1.18 -0.50 -5.40 -3.84 0.00 -1.92 -3.48 103.07 86.75 1f22 h GLY 32 Ca -0.07 0.19 0.13 0.00 0.00 0.00 0.00 47.33 47.57 1f22 h GLY 32 CO 0.12 -0.18 0.67 -1.08 0.00 0.00 0.00 176.54 176.07 1f22 s THR 33 N -3.63 0.00 -0.11 4.70 -1.32 -1.26 -5.04 115.64 108.98 1f22 s THR 33 Ca -0.07 0.00 -0.06 0.00 -1.21 0.00 0.00 61.69 60.35 1f22 s THR 33 Cb 0.01 -1.00 -0.23 0.00 -1.51 0.00 0.00 72.50 69.77 1f22 s THR 33 CO 0.21 0.00 3.28 -0.81 -2.21 0.00 0.00 174.62 175.09 1f22 n PRO 34 N 1.59 1.92 -1.19 7.08 -0.04 -1.26 -4.64 135.00 138.45 1f22 n PRO 34 Ca -0.10 -0.99 -0.19 0.00 -0.04 0.00 0.00 63.50 62.18 1f22 n PRO 34 Cb 0.57 -2.01 -0.12 0.00 -0.04 0.00 0.00 33.50 31.90 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 2.64 6.50 -1.26 0.55 0.00 -1.26 -4.90 120.51 122.77 1f22 n ALA 35 Ca 0.41 -2.37 0.07 0.00 0.00 0.00 0.00 53.44 51.56 1f22 n ALA 35 Cb 0.78 -2.36 -0.04 0.00 0.00 0.00 0.00 19.45 17.83 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 2.09 -2.54 -0.04 0.00 2.85 -1.26 -5.01 118.16 114.24 1f22 n LYS 36 Ca 0.48 2.04 -0.08 0.00 -1.05 0.00 0.00 58.31 59.69 1f22 n LYS 36 Cb 0.75 -2.91 -0.03 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 -3.38 1.18 -1.65 0.58 2.08 -1.26 -5.09 119.36 111.83 1f22 n ILE 37 Ca -0.04 0.11 -0.00 0.00 0.56 0.00 0.00 62.75 63.38 1f22 n ILE 37 Cb 0.42 -1.89 0.00 0.00 -0.75 0.00 0.00 39.64 37.43 1f22 n ILE 37 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1f22 n ALA 38 N -3.88 -1.53 -2.87 -1.39 0.00 -1.26 -4.98 120.51 104.60 1f22 n ALA 38 Ca -0.14 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 52.86 1f22 n ALA 38 Cb 0.41 -0.21 -0.00 0.00 0.00 0.00 0.00 19.45 19.65 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 -3.00 4.83 0.46 0.00 -1.09 -1.26 -4.84 121.20 116.29 1f22 s ILE 39 Ca 0.00 -2.46 0.07 0.00 -2.23 0.00 0.00 60.65 56.03 1f22 s ILE 39 Cb -0.00 -4.97 0.07 0.00 -1.58 0.00 0.00 42.46 35.97 1f22 s ILE 39 CO 0.07 -1.71 0.56 0.47 -1.23 0.00 0.00 174.94 173.10 1f22 n ASP 40 N 6.27 1.89 0.00 3.58 8.00 -1.26 -4.66 116.55 130.37 1f22 n ASP 40 Ca 0.39 -2.31 0.00 0.00 0.71 0.00 0.00 54.79 53.58 1f22 n ASP 40 Cb 0.44 -0.26 0.00 0.00 -0.02 0.00 0.00 41.12 41.28 1f22 n ASP 40 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 1f22 n LYS 41 N -1.88 0.00 0.00 -1.24 -0.00 -1.26 -0.94 118.16 112.84 1f22 n LYS 41 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.40 1f22 n LYS 41 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.52 1f22 n LYS 41 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1f22 n LYS 42 N 0.00 0.00 0.34 -1.58 0.00 -1.26 -4.53 118.16 111.13 1f22 n LYS 42 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 58.31 58.13 1f22 n LYS 42 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 35.03 34.94 1f22 n LYS 42 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1f22 h SER 43 N 0.00 -1.14 -0.77 3.14 0.87 -1.76 -0.63 113.55 113.26 1f22 h SER 43 Ca 0.00 0.08 0.10 0.00 -1.23 0.00 0.00 61.79 60.74 1f22 h SER 43 Cb 0.00 0.35 -0.11 0.00 -0.44 0.00 0.00 62.40 62.20 1f22 h SER 43 CO 0.00 -0.65 -0.36 0.00 -0.53 0.00 0.00 176.83 175.29 1f22 n ALA 44 N -2.70 -0.25 -0.22 6.23 0.00 -0.11 -0.58 120.51 122.88 1f22 n ALA 44 Ca -0.13 0.72 -0.05 0.00 0.00 0.00 0.00 53.44 53.98 1f22 n ALA 44 Cb 0.44 -0.25 0.17 0.00 0.00 0.00 0.00 19.45 19.82 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 -5.07 1.53 0.00 0.00 8.25 -0.97 -3.55 115.22 115.42 1f22 n HIS 45 Ca 0.05 -0.87 -0.00 0.00 -0.26 0.00 0.00 57.72 56.65 1f22 n HIS 45 Cb 0.27 -0.51 -0.00 0.00 1.12 0.00 0.00 29.99 30.87 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 -0.06 0.01 -3.26 -0.41 0.00 0.26 -4.95 118.16 109.75 1f22 n LYS 46 Ca 0.26 0.00 -0.05 0.00 0.00 0.00 0.00 58.31 58.53 1f22 n LYS 46 Cb 1.01 -0.11 -0.03 0.00 0.00 0.00 0.00 35.03 35.90 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 -5.02 -0.66 0.07 3.14 1.01 -0.37 -4.95 116.67 109.89 1f22 s ASP 47 Ca -0.00 -0.98 0.00 0.00 0.71 0.00 0.00 52.55 52.28 1f22 s ASP 47 Cb 0.00 1.51 0.00 0.00 1.01 0.00 0.00 42.92 45.44 1f22 s ASP 47 CO 0.00 -0.21 0.00 0.00 0.21 0.00 0.00 175.17 175.18 1f22 n ALA 48 N 4.43 1.15 -0.10 5.23 0.00 -1.23 -4.77 120.51 125.23 1f22 n ALA 48 Ca 0.11 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.42 1f22 n ALA 48 Cb 0.53 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.94 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 -4.43 1.20 0.00 0.00 4.81 -1.26 -2.44 118.16 116.04 1f22 n LYS 50 Ca -0.21 -0.28 0.00 0.00 -0.87 0.00 0.00 58.31 56.95 1f22 n LYS 50 Cb 0.58 -1.31 0.00 0.00 0.02 0.00 0.00 35.03 34.31 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 1.84 0.00 -0.31 3.15 5.66 -1.26 -4.66 114.28 118.70 1f22 n THR 51 Ca 0.12 0.00 0.02 0.00 -3.05 0.00 0.00 64.05 61.14 1f22 n THR 51 Cb 0.58 -0.33 0.16 0.00 -1.55 0.00 0.00 70.33 69.19 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 0.90 0.00 -0.21 0.00 -0.00 -1.80 0.16 115.15 114.20 1f22 h HIS 53 Ca 0.39 0.00 -0.12 0.00 -0.00 0.00 0.00 60.37 60.64 1f22 h HIS 53 Cb 0.27 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.67 1f22 h HIS 53 CO -0.04 0.00 -0.40 0.87 -0.00 0.00 0.00 177.93 178.36 1f22 h LYS 54 N 0.00 0.48 -0.35 2.45 1.57 -1.26 0.18 116.57 119.64 1f22 h LYS 54 Ca 0.21 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1f22 h LYS 54 Cb 0.97 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.27 1f22 h LYS 54 CO -0.00 0.80 0.18 1.03 -0.57 0.00 0.00 179.45 180.88 1f22 h SER 55 N 0.40 0.45 -0.15 0.86 0.87 -0.71 -2.88 113.55 112.38 1f22 h SER 55 Ca 0.04 -0.11 -0.03 0.00 -1.23 0.00 0.00 61.79 60.46 1f22 h SER 55 Cb 0.87 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.71 1f22 h SER 55 CO 0.07 0.44 -0.01 0.78 -0.53 0.00 0.00 176.83 177.58 1f22 h ASN 56 N 0.43 0.27 -3.88 6.23 2.35 -1.41 -3.50 115.58 116.07 1f22 h ASN 56 Ca 0.12 -0.32 0.10 0.00 -0.55 0.00 0.00 56.30 55.65 1f22 h ASN 56 Cb 0.10 -0.07 -0.05 0.00 0.05 0.00 0.00 38.32 38.35 1f22 h ASN 56 CO -0.02 0.52 -0.32 -3.20 -1.65 0.00 0.00 177.43 172.77 1f22 n ASN 57 N -4.74 -2.28 0.00 5.81 5.15 0.63 -5.10 115.26 114.74 1f22 n ASN 57 Ca -0.05 0.36 0.00 0.00 -0.60 0.00 0.00 54.58 54.29 1f22 n ASN 57 Cb 0.22 -1.36 0.00 0.00 -0.53 0.00 0.00 39.78 38.11 1f22 n ASN 57 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1f22 n GLY 58 N -2.79 -0.37 3.77 8.20 0.00 -1.26 -4.98 105.19 107.76 1f22 n GLY 58 Ca -0.02 0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 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 0.77 0.11 1.61 0.04 -1.26 -5.01 135.00 131.25 1f22 s PRO 59 Ca 0.00 0.19 0.00 0.00 0.04 0.00 0.00 61.00 61.23 1f22 s PRO 59 Cb 0.00 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.73 1f22 s PRO 59 CO 0.00 -2.43 0.00 -2.37 0.04 0.00 0.00 177.00 172.24 1f22 n THR 60 N -3.91 0.00 0.00 1.26 5.66 -1.26 -5.03 114.28 111.00 1f22 n THR 60 Ca 0.08 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.08 1f22 n THR 60 Cb 0.59 -0.27 0.00 0.00 -1.55 0.00 0.00 70.33 69.10 1f22 n THR 60 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1f22 n LYS 61 N -2.77 0.00 -0.03 1.09 5.02 -1.26 -5.15 118.16 115.06 1f22 n LYS 61 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1f22 n LYS 61 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1f22 n LYS 61 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1f22 n GLY 63 N 5.00 3.10 0.31 0.00 0.00 -1.26 -4.90 105.19 107.45 1f22 n GLY 63 Ca 0.00 -0.85 -0.02 0.00 0.00 0.00 0.00 46.02 45.15 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 0.19 0.00 -0.02 0.00 -1.99 -3.39 103.07 97.85 1f22 h GLY 64 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.68 1f22 h GLY 64 CO 0.00 -0.24 -0.90 0.00 0.00 0.00 0.00 176.54 175.40 1f22 s HIS 66 N -1.99 2.04 -1.39 0.00 4.02 -1.26 -4.03 115.29 112.69 1f22 s HIS 66 Ca 0.00 0.31 -0.15 0.00 1.02 0.00 0.00 55.06 56.24 1f22 s HIS 66 Cb 0.00 -3.90 0.07 0.00 -1.02 0.00 0.00 32.58 27.73 1f22 s HIS 66 CO 0.00 -3.56 2.03 -0.89 1.02 0.00 0.00 174.74 173.34 1f22 n ILE 67 N 5.66 3.71 0.00 0.60 2.08 -0.01 -4.51 119.36 126.89 1f22 n ILE 67 Ca 0.17 -3.52 0.00 0.00 0.56 0.00 0.00 62.75 59.96 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 1.17 0.56 0.00 0.00 176.55 178.28