#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 0.00 -5.03 0.00 2.03 -1.98 -3.16 116.42 108.28 1f22 h ASP 2 Ca 0.00 0.00 -0.12 0.00 -0.73 0.00 0.00 57.03 56.18 1f22 h ASP 2 Cb 0.00 0.00 -0.19 0.00 -0.83 0.00 0.00 39.33 38.31 1f22 h ASP 2 CO 0.00 0.44 -0.42 0.54 -1.03 0.00 0.00 179.24 178.77 1f22 s VAL 3 N -1.63 0.09 0.16 4.15 0.11 -1.26 -0.40 120.40 121.62 1f22 s VAL 3 Ca -0.06 -0.78 0.02 0.00 -2.93 0.00 0.00 61.98 58.23 1f22 s VAL 3 Cb 0.01 -0.70 -0.05 0.00 -1.53 0.00 0.00 36.38 34.11 1f22 s VAL 3 CO 0.08 -0.43 -0.01 -0.69 -3.33 0.00 0.00 175.10 170.72 1f22 s VAL 4 N -1.99 0.69 0.04 2.04 1.01 -0.30 -4.88 120.40 117.01 1f22 s VAL 4 Ca -0.10 -1.98 0.05 0.00 0.00 0.00 0.00 61.98 59.95 1f22 s VAL 4 Cb -0.04 -2.06 -0.02 0.00 0.00 0.00 0.00 36.38 34.26 1f22 s VAL 4 CO -0.01 -0.53 -0.13 0.28 0.00 0.00 0.00 175.10 174.71 1f22 s THR 5 N -3.65 1.04 0.09 3.92 -1.32 -1.26 -1.11 115.64 113.35 1f22 s THR 5 Ca 0.22 -1.01 -0.17 0.00 -1.21 0.00 0.00 61.69 59.52 1f22 s THR 5 Cb 0.06 -0.96 -0.09 0.00 -1.51 0.00 0.00 72.50 70.00 1f22 s THR 5 CO 0.03 -0.05 1.44 1.88 -2.21 0.00 0.00 174.62 175.71 1f22 h TYR 6 N 4.86 0.67 -3.16 9.09 0.05 -1.94 -3.49 116.97 123.05 1f22 h TYR 6 Ca -0.38 -0.17 0.00 0.00 0.05 0.00 0.00 58.73 58.23 1f22 h TYR 6 Cb 1.18 -0.15 0.00 0.00 1.01 0.00 0.00 36.73 38.77 1f22 h TYR 6 CO 0.55 0.84 -0.75 -1.91 -1.05 0.00 0.00 178.16 175.84 1f22 n GLU 7 N -4.43 -3.99 -3.60 4.88 2.13 -1.26 -4.97 120.64 109.41 1f22 n GLU 7 Ca -0.04 2.90 -0.03 0.00 0.66 0.00 0.00 57.16 60.65 1f22 n GLU 7 Cb 0.38 -3.22 -0.02 0.00 0.27 0.00 0.00 31.44 28.85 1f22 n GLU 7 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1f22 s ASN 8 N -2.18 -0.15 0.15 4.31 2.20 -1.26 -4.87 114.94 113.13 1f22 s ASN 8 Ca 0.00 -0.06 0.25 0.00 -0.94 0.00 0.00 52.86 52.11 1f22 s ASN 8 Cb 0.00 0.21 0.93 0.00 -2.00 0.00 0.00 41.25 40.39 1f22 s ASN 8 CO 0.00 -0.35 1.77 1.17 -2.94 0.00 0.00 177.10 176.75 1f22 n LYS 9 N -0.24 0.16 0.29 3.55 3.00 -1.26 -1.87 118.16 121.80 1f22 n LYS 9 Ca -0.04 0.21 -0.12 0.00 -0.00 0.00 0.00 58.31 58.37 1f22 n LYS 9 Cb 0.60 -1.72 -0.06 0.00 0.00 0.00 0.00 35.03 33.86 1f22 n LYS 9 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 1f22 h LYS 10 N 0.00 -0.73 0.00 1.64 1.79 -1.99 -3.45 116.57 113.82 1f22 h LYS 10 Ca 0.00 0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.52 1f22 h LYS 10 Cb 0.56 0.17 0.00 0.00 -1.58 0.00 0.00 32.23 31.38 1f22 h LYS 10 CO 0.00 -0.49 0.00 0.41 -1.08 0.00 0.00 179.45 178.29 1f22 n GLY 11 N -0.67 0.00 6.65 3.86 0.00 -1.20 -4.71 105.19 109.12 1f22 n GLY 11 Ca -0.09 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.94 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 -5.73 -3.65 1.61 5.03 -0.78 -0.58 115.26 111.15 1f22 n ASN 12 Ca 0.00 0.09 -0.27 0.00 0.87 0.00 0.00 54.58 55.27 1f22 n ASN 12 Cb 0.00 -0.26 -0.16 0.00 -1.02 0.00 0.00 39.78 38.34 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 -0.13 0.21 -0.10 2.41 1.01 -1.26 -4.14 120.40 118.40 1f22 s VAL 13 Ca 0.00 -0.52 -0.30 0.00 0.00 0.00 0.00 61.98 61.16 1f22 s VAL 13 Cb 0.00 -0.90 -0.03 0.00 0.00 0.00 0.00 36.38 35.45 1f22 s VAL 13 CO 0.00 -0.37 1.22 -0.89 0.00 0.00 0.00 175.10 175.05 1f22 s THR 14 N 1.99 4.27 -0.12 3.92 2.01 -1.14 -3.25 115.64 123.31 1f22 s THR 14 Ca 0.03 1.57 -0.00 0.00 0.31 0.00 0.00 61.69 63.60 1f22 s THR 14 Cb -0.16 -4.01 0.03 0.00 0.01 0.00 0.00 72.50 68.36 1f22 s THR 14 CO -0.15 -0.05 -0.08 0.72 -0.69 0.00 0.00 174.62 174.37 1f22 s PHE 15 N 2.66 1.58 0.55 4.92 -0.71 -0.27 -4.89 117.98 121.82 1f22 s PHE 15 Ca 0.55 -0.83 -0.19 0.00 -1.04 0.00 0.00 56.93 55.41 1f22 s PHE 15 Cb -0.23 -1.28 -0.06 0.00 -1.21 0.00 0.00 43.02 40.24 1f22 s PHE 15 CO 0.19 -0.54 1.14 0.34 -1.34 0.00 0.00 175.22 175.01 1f22 s ASP 16 N 1.68 5.68 -0.01 1.98 -1.08 -1.26 -1.15 116.67 122.50 1f22 s ASP 16 Ca 0.04 2.21 -0.06 0.00 -0.52 0.00 0.00 52.55 54.22 1f22 s ASP 16 Cb -0.13 -2.58 -0.02 0.00 -1.46 0.00 0.00 42.92 38.73 1f22 s ASP 16 CO -0.08 -1.25 -0.12 1.57 0.52 0.00 0.00 175.17 175.81 1f22 n HIS 17 N -1.31 0.00 -0.14 -5.34 -0.00 0.46 -4.43 115.22 104.46 1f22 n HIS 17 Ca 0.12 0.00 -0.08 0.00 0.46 0.00 0.00 57.72 58.22 1f22 n HIS 17 Cb 0.51 -0.17 0.01 0.00 -0.12 0.00 0.00 29.99 30.22 1f22 n HIS 17 CO 0.00 0.00 0.00 1.57 0.46 0.00 0.00 176.34 178.37 1f22 h LYS 18 N -0.34 0.57 0.21 1.57 -0.00 -1.06 0.56 116.57 118.08 1f22 h LYS 18 Ca 0.00 -0.03 0.01 0.00 -0.00 0.00 0.00 60.65 60.63 1f22 h LYS 18 Cb 0.34 -0.13 -0.04 0.00 -0.00 0.00 0.00 32.23 32.40 1f22 h LYS 18 CO 0.00 0.38 -0.47 0.00 -0.00 0.00 0.00 179.45 179.36 1f22 h ALA 19 N 1.17 -0.90 -0.45 0.07 0.00 -1.85 0.24 119.26 117.52 1f22 h ALA 19 Ca 0.16 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.01 1f22 h ALA 19 Cb -0.06 0.76 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1f22 h ALA 19 CO -0.04 -1.07 0.30 0.45 0.00 0.00 0.00 179.25 178.89 1f22 h HIS 20 N -0.76 0.39 0.59 0.00 3.86 -1.72 0.89 115.15 118.39 1f22 h HIS 20 Ca -0.01 0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.19 1f22 h HIS 20 Cb 0.75 -0.13 0.01 0.00 1.06 0.00 0.00 27.41 29.09 1f22 h HIS 20 CO -0.36 0.22 -0.28 0.00 0.86 0.00 0.00 177.93 178.37 1f22 h ALA 21 N 1.75 -0.79 -0.42 2.45 0.00 0.40 -0.06 119.26 122.59 1f22 h ALA 21 Ca 0.19 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1f22 h ALA 21 Cb 0.27 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1f22 h ALA 21 CO -0.05 -0.92 0.02 1.05 0.00 0.00 0.00 179.25 179.35 1f22 h GLU 22 N -0.83 0.74 -0.14 0.00 4.11 0.71 0.47 114.58 119.64 1f22 h GLU 22 Ca -0.08 -0.22 -0.10 0.00 0.07 0.00 0.00 59.36 59.02 1f22 h GLU 22 Cb 0.62 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1f22 h GLU 22 CO 0.13 0.80 -0.31 0.87 0.07 0.00 0.00 179.01 180.57 1f22 h LYS 23 N 0.58 0.45 0.00 1.06 1.79 -0.95 -3.39 116.57 116.11 1f22 h LYS 23 Ca 0.12 -0.30 -0.27 0.00 -2.18 0.00 0.00 60.65 58.02 1f22 h LYS 23 Cb 0.46 0.04 -0.04 0.00 -1.58 0.00 0.00 32.23 31.11 1f22 h LYS 23 CO 0.02 0.91 -1.64 1.28 -1.08 0.00 0.00 179.45 178.94 1f22 n LEU 24 N -4.39 1.90 0.00 2.94 4.77 -0.04 -5.08 117.00 117.11 1f22 n LEU 24 Ca -0.07 0.41 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 1f22 n LEU 24 Cb 0.48 -0.87 0.00 0.00 -2.33 0.00 0.00 43.42 40.70 1f22 n LEU 24 CO 0.43 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 1f22 n GLY 25 N 1.39 0.36 0.00 -0.72 0.00 0.16 -4.80 105.19 101.59 1f22 n GLY 25 Ca -0.36 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.05 -0.47 0.00 5.75 -1.26 -0.39 116.55 120.14 1f22 n ASP 27 Ca 0.00 1.08 0.39 0.00 -0.01 0.00 0.00 54.79 56.25 1f22 n ASP 27 Cb 0.00 -0.41 0.69 0.00 -1.03 0.00 0.00 41.12 40.37 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 1.28 2.98 0.00 2.12 0.00 -1.92 -2.99 119.26 120.73 1f22 h ALA 28 Ca 0.40 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.30 1f22 h ALA 28 Cb 0.86 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1f22 h ALA 28 CO -0.59 -1.53 -1.08 0.00 0.00 0.00 0.00 179.25 176.05 1f22 n HIS 30 N -3.25 4.00 -1.58 0.00 8.25 0.48 -4.95 115.22 118.17 1f22 n HIS 30 Ca -0.07 -3.03 -0.58 0.00 -0.26 0.00 0.00 57.72 53.77 1f22 n HIS 30 Cb 0.49 -2.20 -0.08 0.00 1.12 0.00 0.00 29.99 29.32 1f22 n HIS 30 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1f22 n GLU 31 N 5.37 0.79 0.00 -0.41 1.02 -1.19 -2.88 120.64 123.34 1f22 n GLU 31 Ca 0.41 0.27 0.00 0.00 -0.02 0.00 0.00 57.16 57.82 1f22 n GLU 31 Cb 0.40 -2.00 0.00 0.00 -0.02 0.00 0.00 31.44 29.82 1f22 n GLU 31 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1f22 n GLY 32 N 5.24 1.02 3.17 0.62 0.00 -1.26 -4.75 105.19 109.24 1f22 n GLY 32 Ca 0.35 -0.01 -0.11 0.00 0.00 0.00 0.00 46.02 46.25 1f22 n GLY 32 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1f22 s THR 33 N 0.00 0.09 0.25 2.61 -4.23 -1.14 -4.93 115.64 108.28 1f22 s THR 33 Ca 0.00 -0.72 -0.23 0.00 -1.18 0.00 0.00 61.69 59.56 1f22 s THR 33 Cb 0.00 -0.68 -0.09 0.00 1.34 0.00 0.00 72.50 73.07 1f22 s THR 33 CO 0.00 -0.39 0.81 -2.16 -0.54 0.00 0.00 174.62 172.34 1f22 s PRO 34 N -1.87 4.43 -0.42 3.99 0.04 -1.26 -4.83 135.00 135.08 1f22 s PRO 34 Ca -0.10 1.09 0.07 0.00 0.04 0.00 0.00 61.00 62.10 1f22 s PRO 34 Cb -0.04 -2.92 0.34 0.00 0.04 0.00 0.00 34.50 31.92 1f22 s PRO 34 CO -0.00 0.38 1.25 0.00 0.04 0.00 0.00 177.00 178.67 1f22 n ALA 35 N 0.81 0.04 -1.16 8.56 0.00 -1.26 -5.11 120.51 122.39 1f22 n ALA 35 Ca -0.01 -1.28 0.14 0.00 0.00 0.00 0.00 53.44 52.29 1f22 n ALA 35 Cb 0.50 -1.16 -0.05 0.00 0.00 0.00 0.00 19.45 18.75 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 -0.16 -2.25 -0.02 0.00 5.02 -1.26 -4.94 118.16 114.55 1f22 n LYS 36 Ca -0.01 1.62 -0.06 0.00 -2.02 0.00 0.00 58.31 57.84 1f22 n LYS 36 Cb 0.77 -2.80 -0.02 0.00 -0.02 0.00 0.00 35.03 32.97 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 -3.55 0.39 -2.19 -0.18 2.08 -1.26 -5.03 119.36 109.62 1f22 n ILE 37 Ca -0.02 -0.05 -0.03 0.00 0.56 0.00 0.00 62.75 63.21 1f22 n ILE 37 Cb 0.63 -1.59 0.00 0.00 -0.75 0.00 0.00 39.64 37.94 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 -3.29 -3.07 -2.52 -1.39 0.00 -1.26 -5.01 120.51 103.97 1f22 n ALA 38 Ca -0.11 0.54 -0.43 0.00 0.00 0.00 0.00 53.44 53.45 1f22 n ALA 38 Cb 0.54 -1.67 -0.08 0.00 0.00 0.00 0.00 19.45 18.25 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 -1.62 4.96 0.37 0.00 -1.09 -1.26 -4.98 121.20 117.58 1f22 s ILE 39 Ca 0.10 0.02 0.02 0.00 -2.23 0.00 0.00 60.65 58.57 1f22 s ILE 39 Cb -0.03 -4.09 -0.02 0.00 -1.58 0.00 0.00 42.46 36.75 1f22 s ILE 39 CO 0.41 -0.44 0.56 -1.81 -1.23 0.00 0.00 174.94 172.42 1f22 s ASP 40 N 1.88 6.05 0.03 3.58 1.11 -1.26 -4.83 116.67 123.22 1f22 s ASP 40 Ca 0.18 0.21 -0.01 0.00 0.18 0.00 0.00 52.55 53.11 1f22 s ASP 40 Cb -0.15 -1.65 0.04 0.00 1.07 0.00 0.00 42.92 42.23 1f22 s ASP 40 CO 0.16 -0.45 0.16 2.29 1.18 0.00 0.00 175.17 178.50 1f22 n LYS 41 N -1.82 -0.01 0.00 8.23 0.00 -1.26 -0.70 118.16 122.60 1f22 n LYS 41 Ca -0.02 0.16 0.00 0.00 -0.00 0.00 0.00 58.31 58.45 1f22 n LYS 41 Cb 0.57 -0.24 0.00 0.00 -0.00 0.00 0.00 35.03 35.36 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 -4.16 0.00 -0.21 -1.58 4.81 -1.26 -2.77 118.16 112.99 1f22 n LYS 42 Ca 0.02 0.18 0.01 0.00 -0.87 0.00 0.00 58.31 57.64 1f22 n LYS 42 Cb 0.05 -1.13 0.10 0.00 0.02 0.00 0.00 35.03 34.07 1f22 n LYS 42 CO 0.00 0.00 0.00 0.77 1.17 0.00 0.00 177.40 179.34 1f22 h SER 43 N 0.00 -0.33 -0.48 3.14 0.02 -1.78 0.13 113.55 114.25 1f22 h SER 43 Ca 0.00 0.16 0.04 0.00 -0.84 0.00 0.00 61.79 61.15 1f22 h SER 43 Cb 0.00 0.29 -0.06 0.00 0.14 0.00 0.00 62.40 62.78 1f22 h SER 43 CO 0.00 -0.13 -0.28 0.00 -1.14 0.00 0.00 176.83 175.27 1f22 n ALA 44 N -2.84 -0.31 0.14 3.77 0.00 0.13 -0.58 120.51 120.81 1f22 n ALA 44 Ca 0.09 0.41 0.06 0.00 0.00 0.00 0.00 53.44 54.00 1f22 n ALA 44 Cb 0.36 0.10 0.04 0.00 0.00 0.00 0.00 19.45 19.95 1f22 n ALA 44 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1f22 h HIS 45 N 0.00 0.00 0.30 0.00 -0.00 -1.24 -0.69 115.15 113.52 1f22 h HIS 45 Ca 0.08 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.43 1f22 h HIS 45 Cb 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.61 1f22 h HIS 45 CO -0.81 0.31 -0.14 -0.22 -0.00 0.00 0.00 177.93 177.06 1f22 h LYS 46 N 0.00 -0.39 0.00 2.45 3.11 0.11 -3.42 116.57 118.43 1f22 h LYS 46 Ca -0.03 0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1f22 h LYS 46 Cb 1.26 0.09 0.00 0.00 -1.00 0.00 0.00 32.23 32.58 1f22 h LYS 46 CO 0.04 -0.26 -0.01 -0.40 -2.81 0.00 0.00 179.45 176.01 1f22 n ASP 47 N -3.54 0.00 -0.05 4.20 5.75 -0.47 -4.83 116.55 117.60 1f22 n ASP 47 Ca -0.05 -1.02 -0.01 0.00 -0.01 0.00 0.00 54.79 53.70 1f22 n ASP 47 Cb 0.16 -0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.24 1f22 n ASP 47 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1f22 h ALA 48 N 0.00 0.00 0.00 2.12 0.00 -0.81 -3.40 119.26 117.17 1f22 h ALA 48 Ca 0.00 -0.07 -0.42 0.00 0.00 0.00 0.00 54.91 54.42 1f22 h ALA 48 Cb 1.01 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.77 1f22 h ALA 48 CO 0.00 0.04 -2.33 0.00 0.00 0.00 0.00 179.25 176.96 1f22 n LYS 50 N -4.18 3.43 0.00 0.00 3.00 -0.64 -3.36 118.16 116.41 1f22 n LYS 50 Ca -0.50 -2.20 0.00 0.00 -0.00 0.00 0.00 58.31 55.61 1f22 n LYS 50 Cb 0.87 -2.85 0.00 0.00 0.00 0.00 0.00 35.03 33.05 1f22 n LYS 50 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.40 175.03 1f22 n THR 51 N 3.88 0.00 0.12 3.15 5.66 -1.26 -4.49 114.28 121.34 1f22 n THR 51 Ca 0.72 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 61.59 1f22 n THR 51 Cb 0.25 -0.13 -0.06 0.00 -1.55 0.00 0.00 70.33 68.84 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 -5.36 1.78 0.04 0.00 8.25 -1.25 -3.81 115.22 114.87 1f22 n HIS 53 Ca -0.07 -2.50 0.00 0.00 -0.26 0.00 0.00 57.72 54.89 1f22 n HIS 53 Cb 0.27 -2.09 0.00 0.00 1.12 0.00 0.00 29.99 29.29 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 3.67 0.00 -2.39 -0.41 4.76 -1.23 -4.54 118.16 118.03 1f22 n LYS 54 Ca 0.62 0.00 -0.19 0.00 -2.87 0.00 0.00 58.31 55.88 1f22 n LYS 54 Cb 0.26 -0.21 0.02 0.00 -1.84 0.00 0.00 35.03 33.26 1f22 n LYS 54 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1f22 n SER 55 N -3.08 3.81 0.04 4.39 7.64 -1.25 -4.30 113.62 120.88 1f22 n SER 55 Ca 0.00 -3.30 0.00 0.00 1.01 0.00 0.00 58.87 56.58 1f22 n SER 55 Cb 0.00 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 62.77 1f22 n SER 55 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1f22 n ASN 56 N -0.53 0.15 0.00 6.43 6.94 -1.26 -5.01 115.26 121.98 1f22 n ASN 56 Ca 0.31 0.12 -0.02 0.00 -0.02 0.00 0.00 54.58 54.98 1f22 n ASN 56 Cb 0.82 0.03 -0.01 0.00 -2.36 0.00 0.00 39.78 38.27 1f22 n ASN 56 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1f22 n ASN 57 N -3.01 0.76 0.00 0.53 4.13 -1.26 -5.16 115.26 111.25 1f22 n ASN 57 Ca 0.00 0.11 0.00 0.00 1.68 0.00 0.00 54.58 56.37 1f22 n ASN 57 Cb 0.15 -0.34 0.00 0.00 -1.54 0.00 0.00 39.78 38.05 1f22 n ASN 57 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1f22 n GLY 58 N 2.79 0.09 3.76 7.41 0.00 -1.26 -5.07 105.19 112.91 1f22 n GLY 58 Ca -0.03 -1.15 -0.29 0.00 0.00 0.00 0.00 46.02 44.55 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 -2.00 1.41 0.00 1.61 0.04 -1.26 -4.37 135.00 130.43 1f22 s PRO 59 Ca 0.00 0.58 0.00 0.00 0.04 0.00 0.00 61.00 61.62 1f22 s PRO 59 Cb 0.00 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.69 1f22 s PRO 59 CO 0.00 -2.07 0.00 0.25 0.04 0.00 0.00 177.00 175.22 1f22 n THR 60 N -3.73 0.00 -2.18 1.26 -2.24 -1.26 -5.09 114.28 101.03 1f22 n THR 60 Ca 0.07 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.80 1f22 n THR 60 Cb 0.57 -1.11 0.02 0.00 -2.10 0.00 0.00 70.33 67.71 1f22 n THR 60 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1f22 n LYS 61 N -2.78 -0.82 0.00 -0.78 0.00 -1.26 -4.73 118.16 107.79 1f22 n LYS 61 Ca 0.00 0.47 0.00 0.00 0.00 0.00 0.00 58.31 58.78 1f22 n LYS 61 Cb 0.41 -3.23 0.00 0.00 0.00 0.00 0.00 35.03 32.21 1f22 n LYS 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1f22 n GLY 63 N 0.00 1.38 0.32 0.00 0.00 -1.26 -4.77 105.19 100.86 1f22 n GLY 63 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.43 0.44 -0.02 0.00 -1.26 -3.81 105.19 99.11 1f22 n GLY 64 Ca 0.00 0.95 0.00 0.00 0.00 0.00 0.00 46.02 46.97 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 -1.99 3.16 -1.32 0.00 3.76 -1.25 -2.88 115.29 114.76 1f22 s HIS 66 Ca 0.00 1.29 -0.14 0.00 -0.15 0.00 0.00 55.06 56.06 1f22 s HIS 66 Cb 0.00 -3.36 0.10 0.00 1.11 0.00 0.00 32.58 30.43 1f22 s HIS 66 CO 0.00 -0.97 1.85 -0.89 -0.85 0.00 0.00 174.74 173.88 1f22 n ILE 67 N 5.24 3.95 -0.09 0.60 2.08 0.25 -4.67 119.36 126.73 1f22 n ILE 67 Ca 0.12 -3.98 0.00 0.00 0.56 0.00 0.00 62.75 59.45 1f22 n ILE 67 Cb 0.46 -2.45 0.00 0.00 -0.75 0.00 0.00 39.64 36.90 1f22 n ILE 67 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28