#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 -4.70 0.00 9.92 -1.26 -3.35 116.55 117.16 1f22 n ASP 2 Ca 0.00 0.00 -0.44 0.00 -0.53 0.00 0.00 54.79 53.82 1f22 n ASP 2 Cb 0.00 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.45 1f22 n ASP 2 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 1f22 n VAL 3 N 0.00 0.03 -4.24 2.53 0.24 -1.26 -3.31 118.33 112.32 1f22 n VAL 3 Ca 0.00 -0.00 -0.17 0.00 -2.04 0.00 0.00 64.34 62.13 1f22 n VAL 3 Cb 0.00 -1.82 -0.11 0.00 -1.47 0.00 0.00 33.84 30.44 1f22 n VAL 3 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1f22 s VAL 4 N 1.19 1.26 0.11 3.34 1.01 -0.46 -4.95 120.40 121.90 1f22 s VAL 4 Ca 0.77 -1.76 0.05 0.00 0.00 0.00 0.00 61.98 61.05 1f22 s VAL 4 Cb -0.57 -1.55 -0.04 0.00 0.00 0.00 0.00 36.38 34.22 1f22 s VAL 4 CO 0.35 -0.48 -0.13 0.28 0.00 0.00 0.00 175.10 175.11 1f22 s THR 5 N -2.34 1.22 -0.03 3.92 -1.32 -1.26 -0.98 115.64 114.86 1f22 s THR 5 Ca 0.10 -1.64 -0.19 0.00 -1.21 0.00 0.00 61.69 58.75 1f22 s THR 5 Cb -0.04 -1.43 -0.33 0.00 -1.51 0.00 0.00 72.50 69.20 1f22 s THR 5 CO 0.02 -0.41 0.89 1.88 -2.21 0.00 0.00 174.62 174.79 1f22 h TYR 6 N 3.64 0.69 0.00 9.09 0.05 -1.95 -3.48 116.97 125.01 1f22 h TYR 6 Ca -0.39 -0.51 0.00 0.00 0.05 0.00 0.00 58.73 57.88 1f22 h TYR 6 Cb 1.19 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.91 1f22 h TYR 6 CO 0.65 1.43 0.00 -1.91 -1.05 0.00 0.00 178.16 177.28 1f22 n GLU 7 N -3.95 0.00 -3.51 4.88 0.00 -1.26 -4.99 120.64 111.81 1f22 n GLU 7 Ca -0.16 0.00 -0.17 0.00 0.00 0.00 0.00 57.16 56.83 1f22 n GLU 7 Cb 0.94 0.00 -0.05 0.00 0.00 0.00 0.00 31.44 32.32 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 -1.07 -0.63 -0.23 4.31 0.01 -1.26 -4.82 114.94 111.26 1f22 s ASN 8 Ca 0.00 0.57 0.05 0.00 -0.71 0.00 0.00 52.86 52.77 1f22 s ASN 8 Cb 0.00 0.54 0.47 0.00 0.41 0.00 0.00 41.25 42.68 1f22 s ASN 8 CO 0.00 -0.67 1.46 0.29 -1.51 0.00 0.00 177.10 176.67 1f22 n LYS 9 N 0.68 2.54 0.00 -0.60 4.01 -1.26 -3.51 118.16 120.02 1f22 n LYS 9 Ca -0.19 -1.97 0.00 0.00 -0.51 0.00 0.00 58.31 55.65 1f22 n LYS 9 Cb 0.58 -1.86 0.00 0.00 -0.51 0.00 0.00 35.03 33.25 1f22 n LYS 9 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1f22 n LYS 10 N -0.14 0.00 -3.71 1.97 4.76 -1.26 -5.10 118.16 114.68 1f22 n LYS 10 Ca 0.29 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.61 1f22 n LYS 10 Cb 1.08 -0.04 -0.10 0.00 -1.84 0.00 0.00 35.03 34.13 1f22 n LYS 10 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1f22 s GLY 11 N -1.47 -0.33 0.15 0.72 0.00 -1.23 -4.89 107.32 100.26 1f22 s GLY 11 Ca 0.00 1.37 -0.34 0.00 0.00 0.00 0.00 44.72 45.75 1f22 s GLY 11 CO 0.00 1.32 1.32 0.70 0.00 0.00 0.00 173.10 176.44 1f22 n ASN 12 N 3.40 1.90 -4.51 1.64 5.03 -1.25 -4.46 115.26 117.00 1f22 n ASN 12 Ca -0.17 1.12 -0.42 0.00 0.87 0.00 0.00 54.58 55.98 1f22 n ASN 12 Cb 0.56 -1.26 -0.03 0.00 -1.02 0.00 0.00 39.78 38.03 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 0.24 4.17 -0.34 2.41 1.01 -1.26 -3.61 120.40 123.02 1f22 s VAL 13 Ca 0.78 -0.69 -0.29 0.00 0.00 0.00 0.00 61.98 61.78 1f22 s VAL 13 Cb -0.84 -4.89 0.01 0.00 0.00 0.00 0.00 36.38 30.66 1f22 s VAL 13 CO 0.48 -1.73 1.21 0.28 0.00 0.00 0.00 175.10 175.34 1f22 s THR 14 N 4.36 4.26 -0.08 3.92 -1.32 -1.23 -3.65 115.64 121.89 1f22 s THR 14 Ca 0.36 1.41 0.03 0.00 -1.21 0.00 0.00 61.69 62.28 1f22 s THR 14 Cb -0.06 -4.31 0.01 0.00 -1.51 0.00 0.00 72.50 66.63 1f22 s THR 14 CO -0.02 -0.57 -0.18 0.72 -2.21 0.00 0.00 174.62 172.37 1f22 s PHE 15 N 4.21 1.96 -0.77 9.09 -0.71 -0.15 -4.95 117.98 126.66 1f22 s PHE 15 Ca 0.52 -0.77 -0.15 0.00 -1.04 0.00 0.00 56.93 55.49 1f22 s PHE 15 Cb -0.14 -1.36 0.19 0.00 -1.21 0.00 0.00 43.02 40.51 1f22 s PHE 15 CO 0.22 -0.34 0.74 0.34 -1.34 0.00 0.00 175.22 174.84 1f22 s ASP 16 N 0.52 6.63 0.03 1.98 -1.08 -1.26 -1.36 116.67 122.13 1f22 s ASP 16 Ca -0.17 -2.45 -0.11 0.00 -0.52 0.00 0.00 52.55 49.31 1f22 s ASP 16 Cb -0.17 -2.22 -0.05 0.00 -1.46 0.00 0.00 42.92 39.02 1f22 s ASP 16 CO 0.06 -0.67 1.16 -0.74 0.52 0.00 0.00 175.17 175.50 1f22 h HIS 17 N 8.09 -0.43 -0.38 -5.34 -0.00 -1.85 -0.08 115.15 115.17 1f22 h HIS 17 Ca 0.02 0.01 0.07 0.00 -0.00 0.00 0.00 60.37 60.47 1f22 h HIS 17 Cb 1.05 0.17 -0.06 0.00 -0.00 0.00 0.00 27.41 28.57 1f22 h HIS 17 CO 0.98 -0.19 -0.02 -0.22 -0.00 0.00 0.00 177.93 178.48 1f22 h LYS 18 N -0.28 0.08 0.10 5.26 3.11 -1.75 0.22 116.57 123.30 1f22 h LYS 18 Ca -0.01 -0.00 0.02 0.00 -2.81 0.00 0.00 60.65 57.84 1f22 h LYS 18 Cb 0.25 -0.02 -0.03 0.00 -1.00 0.00 0.00 32.23 31.43 1f22 h LYS 18 CO -0.04 0.05 -0.25 0.00 -2.81 0.00 0.00 179.45 176.40 1f22 h ALA 19 N 1.34 -0.40 -0.94 5.00 0.00 -1.91 0.91 119.26 123.27 1f22 h ALA 19 Ca 0.19 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.17 1f22 h ALA 19 Cb 0.27 0.41 -0.07 0.00 0.00 0.00 0.00 17.79 18.39 1f22 h ALA 19 CO -0.33 -0.78 0.60 0.45 0.00 0.00 0.00 179.25 179.19 1f22 h HIS 20 N -0.44 1.02 0.61 0.00 3.86 -0.42 0.11 115.15 119.89 1f22 h HIS 20 Ca 0.03 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.24 1f22 h HIS 20 Cb 0.47 -0.33 0.01 0.00 1.06 0.00 0.00 27.41 28.62 1f22 h HIS 20 CO -0.24 0.44 -0.29 0.00 0.86 0.00 0.00 177.93 178.70 1f22 h ALA 21 N 1.55 -0.82 -0.35 2.45 0.00 0.72 0.58 119.26 123.39 1f22 h ALA 21 Ca 0.45 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 55.04 1f22 h ALA 21 Cb 0.46 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1f22 h ALA 21 CO -0.21 -0.92 -0.28 1.05 0.00 0.00 0.00 179.25 178.89 1f22 h GLU 22 N -0.89 0.80 -0.42 0.00 4.11 -0.50 0.67 114.58 118.35 1f22 h GLU 22 Ca -0.08 -0.40 -0.05 0.00 0.07 0.00 0.00 59.36 58.90 1f22 h GLU 22 Cb 0.65 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 1f22 h GLU 22 CO 0.14 1.03 0.08 0.87 0.07 0.00 0.00 179.01 181.19 1f22 h LYS 23 N 0.58 0.69 0.00 1.06 1.79 -0.82 -3.38 116.57 116.49 1f22 h LYS 23 Ca 0.06 -0.18 -0.13 0.00 -2.18 0.00 0.00 60.65 58.22 1f22 h LYS 23 Cb 0.85 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 31.40 1f22 h LYS 23 CO 0.07 0.72 -1.27 1.28 -1.08 0.00 0.00 179.45 179.17 1f22 n LEU 24 N -4.51 1.91 0.00 2.94 4.77 0.19 -5.07 117.00 117.22 1f22 n LEU 24 Ca -0.00 0.41 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 1f22 n LEU 24 Cb 0.23 -0.81 0.00 0.00 -2.33 0.00 0.00 43.42 40.51 1f22 n LEU 24 CO 0.39 -0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 1f22 n GLY 25 N 1.45 -0.35 0.00 -0.72 0.00 0.23 -4.89 105.19 100.91 1f22 n GLY 25 Ca -0.24 0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.01 -0.24 0.00 5.75 -1.18 -0.54 116.55 120.33 1f22 n ASP 27 Ca 0.00 0.98 0.17 0.00 -0.01 0.00 0.00 54.79 55.93 1f22 n ASP 27 Cb 0.00 -0.38 0.32 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 -3.20 0.55 0.00 2.12 0.00 -1.26 -3.53 120.51 115.19 1f22 n ALA 28 Ca 0.15 0.76 0.00 0.00 0.00 0.00 0.00 53.44 54.35 1f22 n ALA 28 Cb 0.51 -0.65 0.00 0.00 0.00 0.00 0.00 19.45 19.31 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 -1.50 3.48 -0.03 0.00 3.76 0.30 -4.98 115.29 116.32 1f22 s HIS 30 Ca 0.00 -2.47 -0.22 0.00 -0.15 0.00 0.00 55.06 52.22 1f22 s HIS 30 Cb 0.00 -2.47 -0.15 0.00 1.11 0.00 0.00 32.58 31.07 1f22 s HIS 30 CO 0.00 -0.90 0.97 0.93 -0.85 0.00 0.00 174.74 174.89 1f22 h GLU 31 N 7.80 -0.32 0.00 1.40 5.08 -1.81 -3.11 114.58 123.62 1f22 h GLU 31 Ca -0.14 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1f22 h GLU 31 Cb 1.04 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1f22 h GLU 31 CO 0.53 0.04 0.00 0.41 -1.00 0.00 0.00 179.01 178.98 1f22 n GLY 32 N 0.24 4.54 3.58 -3.84 0.00 -1.26 -4.84 105.19 103.61 1f22 n GLY 32 Ca -0.08 -1.65 -0.61 0.00 0.00 0.00 0.00 46.02 43.68 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 0.00 0.12 0.01 2.61 -1.04 -1.26 -4.87 114.28 109.86 1f22 n THR 33 Ca 0.00 -0.05 -0.13 0.00 -2.04 0.00 0.00 64.05 61.83 1f22 n THR 33 Cb 0.00 -0.88 -0.09 0.00 -1.82 0.00 0.00 70.33 67.54 1f22 n THR 33 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1f22 h PRO 34 N 7.64 -0.05 -3.23 -2.82 0.13 -1.97 -3.46 132.00 128.24 1f22 h PRO 34 Ca -0.34 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.66 1f22 h PRO 34 Cb 1.36 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.48 1f22 h PRO 34 CO 1.01 0.35 -0.15 0.00 -0.23 0.00 0.00 178.00 178.98 1f22 n ALA 35 N -2.33 -0.55 -1.37 -0.56 0.00 -1.26 -4.38 120.51 110.06 1f22 n ALA 35 Ca -0.08 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1f22 n ALA 35 Cb 0.22 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.73 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 -2.14 -2.52 -0.11 0.00 2.85 -1.26 -4.99 118.16 109.99 1f22 n LYS 36 Ca -0.07 1.94 -0.16 0.00 -1.05 0.00 0.00 58.31 58.96 1f22 n LYS 36 Cb 0.41 -2.59 -0.09 0.00 -0.65 0.00 0.00 35.03 32.11 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 -2.11 1.20 -2.88 0.58 5.41 -1.26 -5.05 119.36 115.25 1f22 n ILE 37 Ca 0.00 -0.43 -0.02 0.00 1.00 0.00 0.00 62.75 63.29 1f22 n ILE 37 Cb 0.23 -1.33 0.00 0.00 -0.71 0.00 0.00 39.64 37.84 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 -3.25 -2.60 -2.67 -1.39 0.00 -1.26 -4.91 120.51 104.43 1f22 n ALA 38 Ca -0.38 0.33 -0.42 0.00 0.00 0.00 0.00 53.44 52.96 1f22 n ALA 38 Cb 0.88 -2.02 -0.02 0.00 0.00 0.00 0.00 19.45 18.29 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 -2.84 4.23 0.51 0.00 -1.09 -1.26 -4.84 121.20 115.90 1f22 s ILE 39 Ca 0.07 -1.41 0.04 0.00 -2.23 0.00 0.00 60.65 57.12 1f22 s ILE 39 Cb -0.02 -5.03 0.03 0.00 -1.58 0.00 0.00 42.46 35.86 1f22 s ILE 39 CO 0.70 -1.85 0.71 -1.81 -1.23 0.00 0.00 174.94 171.45 1f22 s ASP 40 N 4.32 5.39 0.26 3.58 1.01 -1.26 -4.64 116.67 125.33 1f22 s ASP 40 Ca 0.45 -0.16 -0.11 0.00 0.71 0.00 0.00 52.55 53.44 1f22 s ASP 40 Cb -0.00 -0.78 0.37 0.00 1.01 0.00 0.00 42.92 43.52 1f22 s ASP 40 CO -0.04 -1.03 1.52 2.29 0.21 0.00 0.00 175.17 178.12 1f22 n LYS 41 N -2.18 -0.14 -0.33 8.23 -0.00 -1.26 -0.10 118.16 122.38 1f22 n LYS 41 Ca 0.08 1.52 0.15 0.00 -0.00 0.00 0.00 58.31 60.06 1f22 n LYS 41 Cb 0.59 -2.26 0.38 0.00 -0.00 0.00 0.00 35.03 33.75 1f22 n LYS 41 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.40 178.97 1f22 h LYS 42 N 0.00 0.63 0.00 -1.58 2.10 -1.96 -1.72 116.57 114.04 1f22 h LYS 42 Ca 0.42 -0.04 -0.10 0.00 -2.00 0.00 0.00 60.65 58.94 1f22 h LYS 42 Cb 0.67 -0.14 -0.01 0.00 -0.90 0.00 0.00 32.23 31.84 1f22 h LYS 42 CO -0.99 0.41 -1.04 -1.13 -2.00 0.00 0.00 179.45 174.70 1f22 n SER 43 N -4.70 1.88 -0.26 7.07 3.41 0.30 -4.04 113.62 117.27 1f22 n SER 43 Ca 0.23 0.47 -0.01 0.00 -0.26 0.00 0.00 58.87 59.30 1f22 n SER 43 Cb 0.64 -0.84 0.02 0.00 -0.26 0.00 0.00 64.21 63.77 1f22 n SER 43 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1f22 n ALA 44 N -3.93 -0.10 0.79 7.33 0.00 0.86 -0.57 120.51 124.90 1f22 n ALA 44 Ca -0.19 0.66 0.12 0.00 0.00 0.00 0.00 53.44 54.03 1f22 n ALA 44 Cb 0.49 -0.29 0.25 0.00 0.00 0.00 0.00 19.45 19.90 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 -4.97 0.28 0.00 0.00 8.25 -0.65 -0.90 115.22 117.22 1f22 n HIS 45 Ca 0.07 0.08 0.00 0.00 -0.26 0.00 0.00 57.72 57.61 1f22 n HIS 45 Cb 0.26 -0.48 0.00 0.00 1.12 0.00 0.00 29.99 30.90 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 -1.80 0.00 -3.16 -0.41 0.00 0.26 -4.82 118.16 108.23 1f22 n LYS 46 Ca 0.05 0.16 -0.11 0.00 0.00 0.00 0.00 58.31 58.40 1f22 n LYS 46 Cb 0.39 -0.65 -0.04 0.00 0.00 0.00 0.00 35.03 34.72 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 -3.64 -0.10 0.00 3.14 1.01 0.09 -4.75 116.67 112.42 1f22 s ASP 47 Ca 0.00 -1.73 0.00 0.00 0.71 0.00 0.00 52.55 51.53 1f22 s ASP 47 Cb 0.00 1.06 0.00 0.00 1.01 0.00 0.00 42.92 44.99 1f22 s ASP 47 CO 0.00 -0.16 0.00 0.00 0.21 0.00 0.00 175.17 175.22 1f22 n ALA 48 N 3.65 0.07 0.07 5.23 0.00 -1.17 -4.75 120.51 123.62 1f22 n ALA 48 Ca 0.16 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.52 1f22 n ALA 48 Cb 0.51 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.91 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 -4.95 2.98 0.00 0.00 5.02 -0.08 -3.21 118.16 117.92 1f22 n LYS 50 Ca -0.06 -2.13 0.00 0.00 -2.02 0.00 0.00 58.31 54.10 1f22 n LYS 50 Cb 0.21 -2.87 0.00 0.00 -0.02 0.00 0.00 35.03 32.35 1f22 n LYS 50 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1f22 n THR 51 N 4.31 0.00 0.23 -0.18 5.66 -1.23 -4.46 114.28 118.60 1f22 n THR 51 Ca 0.63 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 61.47 1f22 n THR 51 Cb 0.27 -0.01 -0.08 0.00 -1.55 0.00 0.00 70.33 68.96 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 -5.49 0.00 0.22 0.00 8.25 -1.24 -4.42 115.22 112.54 1f22 n HIS 53 Ca -0.10 -0.87 -0.15 0.00 -0.26 0.00 0.00 57.72 56.35 1f22 n HIS 53 Cb 0.39 -0.44 -0.08 0.00 1.12 0.00 0.00 29.99 30.97 1f22 n HIS 53 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 1f22 h LYS 54 N 0.97 -0.53 -2.30 -0.41 1.57 -1.92 -3.40 116.57 110.54 1f22 h LYS 54 Ca 0.00 0.04 -0.58 0.00 -1.87 0.00 0.00 60.65 58.23 1f22 h LYS 54 Cb 0.95 0.12 -0.40 0.00 0.08 0.00 0.00 32.23 32.99 1f22 h LYS 54 CO 0.00 -0.26 -0.91 0.45 -0.57 0.00 0.00 179.45 178.15 1f22 n SER 55 N -5.26 0.86 0.16 0.86 2.88 -1.26 -4.68 113.62 107.18 1f22 n SER 55 Ca -0.11 -2.76 0.00 0.00 -1.33 0.00 0.00 58.87 54.67 1f22 n SER 55 Cb 0.28 -0.63 0.00 0.00 -0.75 0.00 0.00 64.21 63.11 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 1.90 -2.85 0.03 -3.46 0.23 -1.26 -4.99 115.26 104.86 1f22 n ASN 56 Ca 0.25 0.63 -0.19 0.00 -0.53 0.00 0.00 54.58 54.75 1f22 n ASN 56 Cb 0.47 2.80 -0.13 0.00 -2.08 0.00 0.00 39.78 40.84 1f22 n ASN 56 CO 0.00 0.00 0.00 -1.13 -0.93 0.00 0.00 177.26 175.20 1f22 h ASN 57 N 0.00 0.49 -1.80 0.53 -0.73 -1.89 -3.49 115.58 108.68 1f22 h ASN 57 Ca 0.00 -0.86 0.00 0.00 1.87 0.00 0.00 56.30 57.31 1f22 h ASN 57 Cb 0.00 -0.15 0.00 0.00 0.27 0.00 0.00 38.32 38.44 1f22 h ASN 57 CO 0.00 1.30 0.00 0.61 -0.37 0.00 0.00 177.43 178.97 1f22 n GLY 58 N 1.37 0.31 3.76 1.57 0.00 -1.26 -5.04 105.19 105.90 1f22 n GLY 58 Ca -0.12 -0.43 -0.41 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.60 4.23 -0.03 1.61 0.04 -1.26 -4.95 135.00 132.03 1f22 s PRO 59 Ca 0.00 2.39 -0.05 0.00 0.04 0.00 0.00 61.00 63.38 1f22 s PRO 59 Cb 0.00 -3.06 -0.02 0.00 0.04 0.00 0.00 34.50 31.46 1f22 s PRO 59 CO 0.00 -0.44 -0.09 0.25 0.04 0.00 0.00 177.00 176.76 1f22 n THR 60 N 1.73 0.57 -3.19 1.26 -2.24 -1.26 -5.00 114.28 106.15 1f22 n THR 60 Ca 0.05 0.28 -0.02 0.00 -2.27 0.00 0.00 64.05 62.10 1f22 n THR 60 Cb 0.40 -1.62 -0.02 0.00 -2.10 0.00 0.00 70.33 67.00 1f22 n THR 60 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1f22 s LYS 61 N -1.64 0.83 5.01 -0.78 0.00 -1.26 -5.11 119.74 116.79 1f22 s LYS 61 Ca -0.07 -0.41 0.00 0.00 0.00 0.00 0.00 55.97 55.48 1f22 s LYS 61 Cb 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 37.83 37.83 1f22 s LYS 61 CO 0.11 -1.21 0.00 0.00 0.00 0.00 0.00 175.35 174.25 1f22 n GLY 63 N 0.00 1.65 0.34 0.00 0.00 -1.26 -4.77 105.19 101.15 1f22 n GLY 63 Ca 0.00 -0.08 -0.06 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.01 0.17 -0.02 0.00 -1.26 -3.63 105.19 98.43 1f22 n GLY 64 Ca 0.00 0.99 -0.12 0.00 0.00 0.00 0.00 46.02 46.89 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 -2.30 2.40 -0.97 0.00 4.02 -1.24 -3.54 115.29 113.67 1f22 s HIS 66 Ca -0.21 0.52 -0.21 0.00 1.02 0.00 0.00 55.06 56.19 1f22 s HIS 66 Cb 0.06 -4.40 -0.11 0.00 -1.02 0.00 0.00 32.58 27.11 1f22 s HIS 66 CO 0.33 -1.86 1.95 -0.89 1.02 0.00 0.00 174.74 175.29 1f22 n ILE 67 N 6.88 2.14 -0.16 0.60 2.08 -1.24 -4.52 119.36 125.14 1f22 n ILE 67 Ca 0.13 -1.98 0.00 0.00 0.56 0.00 0.00 62.75 61.46 1f22 n ILE 67 Cb 0.49 -2.32 0.00 0.00 -0.75 0.00 0.00 39.64 37.06 1f22 n ILE 67 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28