#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f22 h ASP 2 N 0.00 0.48 -3.29 0.00 2.03 -1.96 -3.38 116.42 110.30 1f22 h ASP 2 Ca 0.00 -0.59 -0.64 0.00 -0.73 0.00 0.00 57.03 55.07 1f22 h ASP 2 Cb 0.00 -0.16 -0.34 0.00 -0.83 0.00 0.00 39.33 38.01 1f22 h ASP 2 CO 0.00 1.48 -0.86 0.54 -1.03 0.00 0.00 179.24 179.36 1f22 s VAL 3 N -2.63 1.87 0.18 4.15 0.11 -1.26 -0.48 120.40 122.34 1f22 s VAL 3 Ca -0.08 -0.89 0.10 0.00 -2.93 0.00 0.00 61.98 58.18 1f22 s VAL 3 Cb 0.06 -1.64 -0.04 0.00 -1.53 0.00 0.00 36.38 33.23 1f22 s VAL 3 CO 0.88 0.51 -0.14 -0.69 -3.33 0.00 0.00 175.10 172.33 1f22 s VAL 4 N 0.63 2.95 0.01 2.04 1.01 0.55 -4.92 120.40 122.67 1f22 s VAL 4 Ca -0.13 -1.74 0.06 0.00 0.00 0.00 0.00 61.98 60.17 1f22 s VAL 4 Cb -0.16 -2.44 -0.02 0.00 0.00 0.00 0.00 36.38 33.75 1f22 s VAL 4 CO 0.03 -0.10 -0.18 0.28 0.00 0.00 0.00 175.10 175.14 1f22 s THR 5 N -1.66 1.43 -0.56 3.92 -1.32 -1.26 -2.47 115.64 113.73 1f22 s THR 5 Ca 0.23 -0.91 -0.27 0.00 -1.21 0.00 0.00 61.69 59.53 1f22 s THR 5 Cb -0.09 -1.22 0.03 0.00 -1.51 0.00 0.00 72.50 69.72 1f22 s THR 5 CO 0.13 0.29 1.12 -0.31 -2.21 0.00 0.00 174.62 173.65 1f22 s TYR 6 N -0.58 2.68 -1.21 9.09 2.02 -0.58 -4.92 117.35 123.86 1f22 s TYR 6 Ca 0.06 0.35 -0.13 0.00 -0.37 0.00 0.00 57.07 56.99 1f22 s TYR 6 Cb -0.07 -4.39 -0.06 0.00 -0.40 0.00 0.00 41.96 37.04 1f22 s TYR 6 CO 0.00 -1.48 2.30 0.39 -1.57 0.00 0.00 175.55 175.20 1f22 n GLU 7 N 8.11 2.55 -1.59 -0.62 1.02 -1.26 -1.10 120.64 127.74 1f22 n GLU 7 Ca 0.07 -2.06 -0.30 0.00 -0.02 0.00 0.00 57.16 54.86 1f22 n GLU 7 Cb 0.49 -2.89 0.09 0.00 -0.02 0.00 0.00 31.44 29.11 1f22 n GLU 7 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1f22 s ASN 8 N 3.44 4.47 0.21 1.62 6.03 -1.26 -4.77 114.94 124.68 1f22 s ASN 8 Ca 0.53 1.23 -0.03 0.00 -1.03 0.00 0.00 52.86 53.57 1f22 s ASN 8 Cb 0.14 -1.95 0.16 0.00 -3.03 0.00 0.00 41.25 36.57 1f22 s ASN 8 CO -0.02 -1.97 1.56 0.50 -2.03 0.00 0.00 177.10 175.13 1f22 h LYS 9 N -1.09 0.59 -0.97 3.55 1.63 -1.92 -0.99 116.57 117.38 1f22 h LYS 9 Ca -0.47 -0.32 0.14 0.00 -0.85 0.00 0.00 60.65 59.14 1f22 h LYS 9 Cb 1.28 0.02 -0.15 0.00 -0.60 0.00 0.00 32.23 32.77 1f22 h LYS 9 CO 0.60 0.92 -0.43 0.87 -3.45 0.00 0.00 179.45 177.96 1f22 h LYS 10 N 0.48 -0.02 0.00 1.90 1.79 -1.98 -3.42 116.57 115.32 1f22 h LYS 10 Ca 0.03 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 1f22 h LYS 10 Cb 0.97 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.62 1f22 h LYS 10 CO 0.09 -0.01 0.00 0.41 -1.08 0.00 0.00 179.45 178.86 1f22 n GLY 11 N -1.42 -0.39 2.66 3.86 0.00 -1.16 -4.88 105.19 103.85 1f22 n GLY 11 Ca 0.08 0.10 0.11 0.00 0.00 0.00 0.00 46.02 46.31 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 -6.04 -3.26 1.61 5.03 -0.38 -2.88 115.26 109.33 1f22 n ASN 12 Ca 0.00 0.88 -0.01 0.00 0.87 0.00 0.00 54.58 56.31 1f22 n ASN 12 Cb 0.00 -2.47 -0.04 0.00 -1.02 0.00 0.00 39.78 36.25 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 -1.43 -0.84 0.31 2.41 1.01 -0.26 -4.19 120.40 117.42 1f22 s VAL 13 Ca 0.00 -0.02 -0.28 0.00 0.00 0.00 0.00 61.98 61.68 1f22 s VAL 13 Cb 0.00 -0.92 -0.09 0.00 0.00 0.00 0.00 36.38 35.37 1f22 s VAL 13 CO 0.00 -0.04 1.06 0.28 0.00 0.00 0.00 175.10 176.40 1f22 s THR 14 N 2.74 3.64 -0.08 3.92 -1.32 -1.21 -1.53 115.64 121.80 1f22 s THR 14 Ca 0.16 1.52 0.12 0.00 -1.21 0.00 0.00 61.69 62.27 1f22 s THR 14 Cb -0.15 -3.91 0.18 0.00 -1.51 0.00 0.00 72.50 67.11 1f22 s THR 14 CO -0.19 0.26 1.09 2.22 -2.21 0.00 0.00 174.62 175.79 1f22 n PHE 15 N 0.80 0.00 0.00 9.09 -1.74 -1.03 -4.83 117.46 119.75 1f22 n PHE 15 Ca 0.01 -0.81 0.00 0.00 -0.56 0.00 0.00 57.45 56.09 1f22 n PHE 15 Cb 0.47 -0.11 0.00 0.00 1.52 0.00 0.00 39.48 41.35 1f22 n PHE 15 CO 0.00 0.00 0.00 -0.25 -0.56 0.00 0.00 176.76 175.95 1f22 n ASP 16 N -1.08 0.00 0.00 5.98 9.92 -1.24 -4.72 116.55 125.40 1f22 n ASP 16 Ca 0.10 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.36 1f22 n ASP 16 Cb 0.49 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.97 1f22 n ASP 16 CO 0.00 0.00 0.00 1.57 0.13 0.00 0.00 177.20 178.90 1f22 n HIS 17 N 11.47 0.00 -0.15 1.24 -0.00 -0.09 -0.33 115.22 127.36 1f22 n HIS 17 Ca 0.00 0.00 -0.04 0.00 0.46 0.00 0.00 57.72 58.14 1f22 n HIS 17 Cb 0.00 0.00 0.02 0.00 -0.12 0.00 0.00 29.99 29.89 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 -0.09 -0.49 1.57 3.64 -0.97 0.11 116.57 120.35 1f22 h LYS 18 Ca 0.00 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.44 1f22 h LYS 18 Cb 0.00 0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 31.76 1f22 h LYS 18 CO 0.00 -0.06 -0.53 0.00 -2.27 0.00 0.00 179.45 176.59 1f22 h ALA 19 N 1.27 -0.71 -0.75 5.00 0.00 -1.92 0.24 119.26 122.40 1f22 h ALA 19 Ca 0.23 0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.23 1f22 h ALA 19 Cb 0.44 1.15 -0.06 0.00 0.00 0.00 0.00 17.79 19.32 1f22 h ALA 19 CO -0.54 -0.99 0.42 0.45 0.00 0.00 0.00 179.25 178.60 1f22 h HIS 20 N -0.30 0.77 0.07 0.00 3.86 -1.71 -1.26 115.15 116.58 1f22 h HIS 20 Ca 0.08 0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.33 1f22 h HIS 20 Cb 0.52 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.75 1f22 h HIS 20 CO -0.78 0.34 -0.09 0.00 0.86 0.00 0.00 177.93 178.26 1f22 h ALA 21 N 1.40 -0.16 -0.35 2.45 0.00 0.11 0.99 119.26 123.70 1f22 h ALA 21 Ca 0.35 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 55.08 1f22 h ALA 21 Cb 0.26 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1f22 h ALA 21 CO -0.21 -0.61 -0.41 1.05 0.00 0.00 0.00 179.25 179.07 1f22 h GLU 22 N -0.19 0.87 0.02 0.00 4.11 -0.36 0.61 114.58 119.64 1f22 h GLU 22 Ca 0.01 -0.47 -0.00 0.00 0.07 0.00 0.00 59.36 58.97 1f22 h GLU 22 Cb 0.20 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1f22 h GLU 22 CO -0.04 1.11 -0.01 0.87 0.07 0.00 0.00 179.01 181.01 1f22 h LYS 23 N 0.70 -0.03 0.00 1.06 1.79 -1.14 -3.39 116.57 115.56 1f22 h LYS 23 Ca 0.05 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.47 1f22 h LYS 23 Cb 0.99 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.64 1f22 h LYS 23 CO 0.10 0.21 -0.60 -0.07 -1.08 0.00 0.00 179.45 178.01 1f22 h LEU 24 N -0.27 0.00 0.00 2.94 3.38 -0.72 -3.51 115.31 117.13 1f22 h LEU 24 Ca -0.00 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1f22 h LEU 24 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1f22 h LEU 24 CO 0.01 0.90 0.00 0.61 0.09 0.00 0.00 178.44 180.05 1f22 n GLY 25 N 1.59 -0.05 0.00 0.83 0.00 0.21 -4.92 105.19 102.86 1f22 n GLY 25 Ca -0.12 0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.09 -0.37 0.00 5.75 -0.87 -0.69 116.55 120.28 1f22 n ASP 27 Ca 0.00 0.82 0.30 0.00 -0.01 0.00 0.00 54.79 55.90 1f22 n ASP 27 Cb 0.00 -0.28 0.59 0.00 -1.03 0.00 0.00 41.12 40.40 1f22 n ASP 27 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1f22 h ALA 28 N 0.96 2.55 0.00 2.12 0.00 -1.92 -3.25 119.26 119.72 1f22 h ALA 28 Ca 0.27 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1f22 h ALA 28 Cb 0.52 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1f22 h ALA 28 CO -0.47 -1.02 -0.77 0.00 0.00 0.00 0.00 179.25 176.99 1f22 s HIS 30 N -1.77 1.02 0.00 0.00 3.76 0.09 -5.09 115.29 113.32 1f22 s HIS 30 Ca 0.00 -0.29 0.00 0.00 -0.15 0.00 0.00 55.06 54.62 1f22 s HIS 30 Cb 0.00 -0.63 0.00 0.00 1.11 0.00 0.00 32.58 33.06 1f22 s HIS 30 CO 0.00 0.00 0.00 -0.85 -0.85 0.00 0.00 174.74 173.04 1f22 n GLU 31 N 2.27 0.00 -0.31 1.40 0.28 -1.26 -2.04 120.64 120.97 1f22 n GLU 31 Ca -0.17 0.00 0.16 0.00 -0.16 0.00 0.00 57.16 57.00 1f22 n GLU 31 Cb 0.55 0.00 0.33 0.00 1.43 0.00 0.00 31.44 33.76 1f22 n GLU 31 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 1f22 h GLY 32 N 0.00 1.47 -5.18 -1.84 0.00 -1.98 -3.39 103.07 92.15 1f22 h GLY 32 Ca 0.00 -0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 1f22 h GLY 32 CO 0.00 -0.47 -0.07 -1.59 0.00 0.00 0.00 176.54 174.41 1f22 s THR 33 N -5.89 -0.01 -0.07 4.70 2.01 -1.26 -5.10 115.64 110.02 1f22 s THR 33 Ca -0.12 0.02 -0.25 0.00 0.31 0.00 0.00 61.69 61.65 1f22 s THR 33 Cb 0.28 -0.83 -0.20 0.00 0.01 0.00 0.00 72.50 71.76 1f22 s THR 33 CO 0.78 0.01 0.96 1.55 -0.69 0.00 0.00 174.62 177.22 1f22 h PRO 34 N 6.07 -0.05 -7.10 4.92 0.13 -1.94 -3.48 132.00 130.56 1f22 h PRO 34 Ca -0.30 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.51 1f22 h PRO 34 Cb 1.19 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 1f22 h PRO 34 CO 0.17 0.58 -0.54 0.00 -0.23 0.00 0.00 178.00 177.98 1f22 n ALA 35 N -2.50 -1.83 -0.06 -0.56 0.00 -1.26 -4.58 120.51 109.72 1f22 n ALA 35 Ca -0.09 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.04 1f22 n ALA 35 Cb 0.32 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.50 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 -3.13 0.00 0.00 0.00 2.85 -1.26 -5.01 118.16 111.60 1f22 n LYS 36 Ca -0.07 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.19 1f22 n LYS 36 Cb 0.30 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.68 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 -0.08 0.00 0.00 0.58 2.08 -1.26 -5.10 119.36 115.58 1f22 n ILE 37 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 1f22 n ILE 37 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.89 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 -3.00 0.00 -2.41 -1.39 0.00 -1.26 -5.13 120.51 107.32 1f22 n ALA 38 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1f22 n ALA 38 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 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 0.00 4.22 0.46 0.00 1.01 -1.26 -4.99 121.20 120.65 1f22 s ILE 39 Ca 0.00 1.45 0.07 0.00 0.00 0.00 0.00 60.65 62.17 1f22 s ILE 39 Cb 0.00 -4.04 0.00 0.00 0.01 0.00 0.00 42.46 38.44 1f22 s ILE 39 CO 0.00 -0.24 0.42 1.51 0.00 0.00 0.00 174.94 176.63 1f22 s ASP 40 N 2.29 4.93 0.19 3.58 -4.77 -1.26 -4.87 116.67 116.76 1f22 s ASP 40 Ca 0.56 -0.90 -0.24 0.00 -3.30 0.00 0.00 52.55 48.67 1f22 s ASP 40 Cb -0.20 -0.23 0.08 0.00 -1.09 0.00 0.00 42.92 41.48 1f22 s ASP 40 CO 0.18 -0.84 1.55 0.50 0.70 0.00 0.00 175.17 177.26 1f22 h LYS 41 N 0.88 -0.06 0.00 2.11 3.64 -1.98 0.28 116.57 121.45 1f22 h LYS 41 Ca -0.39 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.00 1f22 h LYS 41 Cb 1.28 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 33.08 1f22 h LYS 41 CO 0.56 -0.04 -0.29 0.87 -2.27 0.00 0.00 179.45 178.28 1f22 h LYS 42 N -0.07 -0.35 0.30 1.90 1.57 -1.96 -0.12 116.57 117.84 1f22 h LYS 42 Ca 0.24 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.03 1f22 h LYS 42 Cb 0.53 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.92 1f22 h LYS 42 CO -0.89 -0.23 -0.14 0.77 -0.57 0.00 0.00 179.45 178.38 1f22 h SER 43 N -0.37 -0.34 -0.72 0.86 0.02 -1.74 -1.44 113.55 109.83 1f22 h SER 43 Ca 0.01 -0.04 0.08 0.00 -0.84 0.00 0.00 61.79 61.00 1f22 h SER 43 Cb 0.39 0.09 -0.11 0.00 0.14 0.00 0.00 62.40 62.91 1f22 h SER 43 CO -0.19 -0.17 -0.52 0.00 -1.14 0.00 0.00 176.83 174.80 1f22 h ALA 44 N 0.20 -0.48 -0.39 3.77 0.00 -0.49 0.44 119.26 122.31 1f22 h ALA 44 Ca -0.04 0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 1f22 h ALA 44 Cb 0.36 1.16 -0.08 0.00 0.00 0.00 0.00 17.79 19.23 1f22 h ALA 44 CO 0.07 -0.92 0.18 0.72 0.00 0.00 0.00 179.25 179.30 1f22 n HIS 45 N -5.35 1.27 0.00 0.00 8.25 -0.06 -0.81 115.22 118.52 1f22 n HIS 45 Ca 0.01 -0.80 0.00 0.00 -0.26 0.00 0.00 57.72 56.68 1f22 n HIS 45 Cb 0.32 -0.46 0.00 0.00 1.12 0.00 0.00 29.99 30.97 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 -0.03 0.00 -0.08 -0.41 0.00 -0.36 -4.94 118.16 112.33 1f22 n LYS 46 Ca 0.22 0.00 -0.07 0.00 0.00 0.00 0.00 58.31 58.46 1f22 n LYS 46 Cb 0.91 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.91 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 -2.42 1.87 0.08 3.14 8.00 0.13 -4.79 116.55 122.57 1f22 n ASP 47 Ca 0.00 0.48 -0.04 0.00 0.71 0.00 0.00 54.79 55.94 1f22 n ASP 47 Cb 0.00 -0.81 -0.02 0.00 -0.02 0.00 0.00 41.12 40.27 1f22 n ASP 47 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1f22 h ALA 48 N -0.99 -0.36 0.02 2.24 0.00 -0.88 -3.38 119.26 115.91 1f22 h ALA 48 Ca -0.01 -0.06 -0.33 0.00 0.00 0.00 0.00 54.91 54.50 1f22 h ALA 48 Cb 0.77 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 1f22 h ALA 48 CO -0.01 -0.34 -1.86 0.00 0.00 0.00 0.00 179.25 177.05 1f22 n LYS 50 N -4.10 1.32 0.09 0.00 4.81 0.01 -3.63 118.16 116.65 1f22 n LYS 50 Ca -0.40 -0.45 0.00 0.00 -0.87 0.00 0.00 58.31 56.60 1f22 n LYS 50 Cb 0.83 -1.51 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 2.08 0.00 -0.16 3.15 -1.04 -1.26 -4.81 114.28 112.24 1f22 n THR 51 Ca 0.19 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 62.10 1f22 n THR 51 Cb 0.62 -0.10 -0.06 0.00 -1.82 0.00 0.00 70.33 68.98 1f22 n THR 51 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1f22 h HIS 53 N -0.31 0.07 0.00 0.00 3.86 -1.84 -2.52 115.15 114.40 1f22 h HIS 53 Ca 0.14 -0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.21 1f22 h HIS 53 Cb 0.58 -0.02 -0.05 0.00 1.06 0.00 0.00 27.41 28.98 1f22 h HIS 53 CO -0.68 0.16 -0.20 1.63 0.86 0.00 0.00 177.93 179.69 1f22 n LYS 54 N -4.39 1.55 0.05 2.45 4.76 0.48 -0.33 118.16 122.72 1f22 n LYS 54 Ca -0.02 -0.73 0.00 0.00 -2.87 0.00 0.00 58.31 54.69 1f22 n LYS 54 Cb 0.19 -1.82 0.00 0.00 -1.84 0.00 0.00 35.03 31.56 1f22 n LYS 54 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 1f22 n SER 55 N 2.48 -0.83 0.42 4.39 3.41 -1.12 -4.93 113.62 117.43 1f22 n SER 55 Ca 0.31 0.29 -0.19 0.00 -0.26 0.00 0.00 58.87 59.02 1f22 n SER 55 Cb 0.72 1.01 -0.09 0.00 -0.26 0.00 0.00 64.21 65.58 1f22 n SER 55 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1f22 h ASN 56 N 0.00 -0.96 -0.49 4.04 2.35 -1.28 -3.45 115.58 115.79 1f22 h ASN 56 Ca 0.00 0.04 0.21 0.00 -0.55 0.00 0.00 56.30 56.00 1f22 h ASN 56 Cb 0.00 0.26 -0.21 0.00 0.05 0.00 0.00 38.32 38.42 1f22 h ASN 56 CO 0.00 -0.65 0.06 0.21 -1.65 0.00 0.00 177.43 175.40 1f22 s ASN 57 N -4.26 -0.65 -0.52 5.81 3.84 0.55 -5.07 114.94 114.63 1f22 s ASN 57 Ca -0.18 0.43 -0.15 0.00 0.21 0.00 0.00 52.86 53.16 1f22 s ASN 57 Cb 0.03 1.55 0.12 0.00 -0.55 0.00 0.00 41.25 42.40 1f22 s ASN 57 CO 0.61 -0.12 0.47 -0.83 -2.79 0.00 0.00 177.10 174.44 1f22 s GLY 58 N 2.91 2.08 0.58 1.21 0.00 -0.94 -4.46 107.32 108.70 1f22 s GLY 58 Ca 0.03 -2.46 -0.20 0.00 0.00 0.00 0.00 44.72 42.09 1f22 s GLY 58 CO -0.13 1.17 1.29 2.56 0.00 0.00 0.00 173.10 177.98 1f22 s PRO 59 N 1.59 2.99 -0.10 2.90 0.04 -1.26 -4.98 135.00 136.19 1f22 s PRO 59 Ca 0.03 2.05 -0.10 0.00 0.04 0.00 0.00 61.00 63.02 1f22 s PRO 59 Cb -0.29 -2.08 -0.03 0.00 0.04 0.00 0.00 34.50 32.14 1f22 s PRO 59 CO 0.03 -1.25 -0.20 0.25 0.04 0.00 0.00 177.00 175.88 1f22 n THR 60 N -1.36 0.93 -0.98 1.26 -2.24 -1.26 -4.67 114.28 105.96 1f22 n THR 60 Ca 0.12 0.27 -0.24 0.00 -2.27 0.00 0.00 64.05 61.94 1f22 n THR 60 Cb 0.47 -1.97 -0.07 0.00 -2.10 0.00 0.00 70.33 66.67 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 -3.67 2.51 0.00 -0.78 4.76 -1.26 -4.92 118.16 114.80 1f22 n LYS 61 Ca -0.08 -1.49 0.00 0.00 -2.87 0.00 0.00 58.31 53.88 1f22 n LYS 61 Cb 0.29 -2.37 0.00 0.00 -1.84 0.00 0.00 35.03 31.11 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 1.42 0.39 0.00 0.00 -1.26 -4.70 105.19 101.03 1f22 n GLY 63 Ca 0.00 -0.04 -0.05 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.24 0.00 -0.02 0.00 -1.95 -3.35 103.07 97.51 1f22 h GLY 64 Ca 0.00 0.59 -0.23 0.00 0.00 0.00 0.00 47.33 47.69 1f22 h GLY 64 CO 0.00 -0.14 -1.69 0.00 0.00 0.00 0.00 176.54 174.71 1f22 s HIS 66 N -2.39 2.09 -0.70 0.00 4.02 -1.26 -3.32 115.29 113.74 1f22 s HIS 66 Ca -0.24 0.37 -0.07 0.00 1.02 0.00 0.00 55.06 56.14 1f22 s HIS 66 Cb 0.08 -3.88 -0.12 0.00 -1.02 0.00 0.00 32.58 27.64 1f22 s HIS 66 CO 0.31 -3.42 3.15 -0.89 1.02 0.00 0.00 174.74 174.92 1f22 n ILE 67 N 5.71 3.70 0.00 0.60 -0.00 -1.14 -4.34 119.36 123.89 1f22 n ILE 67 Ca 0.17 -2.39 0.00 0.00 -0.00 0.00 0.00 62.75 60.54 1f22 n ILE 67 Cb 0.44 -2.12 0.00 0.00 -0.00 0.00 0.00 39.64 37.96 1f22 n ILE 67 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.55 177.72