#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 -4.58 0.00 5.75 -1.26 -4.69 116.55 111.77 1f22 n ASP 2 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 54.79 54.37 1f22 n ASP 2 Cb 0.00 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.06 1f22 n ASP 2 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1f22 s VAL 3 N -2.11 3.04 0.30 2.12 0.11 -1.26 -3.77 120.40 118.82 1f22 s VAL 3 Ca 0.00 0.03 0.07 0.00 -2.93 0.00 0.00 61.98 59.15 1f22 s VAL 3 Cb 0.00 -3.06 -0.03 0.00 -1.53 0.00 0.00 36.38 31.76 1f22 s VAL 3 CO 0.00 -0.04 0.31 -0.69 -3.33 0.00 0.00 175.10 171.35 1f22 s VAL 4 N 9.48 4.17 -0.01 2.04 1.01 -0.81 -4.95 120.40 131.34 1f22 s VAL 4 Ca 0.98 -1.24 0.06 0.00 0.00 0.00 0.00 61.98 61.78 1f22 s VAL 4 Cb -0.27 -3.40 -0.02 0.00 0.00 0.00 0.00 36.38 32.69 1f22 s VAL 4 CO 0.32 -0.24 -0.18 0.28 0.00 0.00 0.00 175.10 175.27 1f22 s THR 5 N -2.18 1.43 -0.62 3.92 -1.32 -1.26 -1.04 115.64 114.57 1f22 s THR 5 Ca 0.38 -0.83 -0.27 0.00 -1.21 0.00 0.00 61.69 59.77 1f22 s THR 5 Cb -0.08 -1.20 -0.00 0.00 -1.51 0.00 0.00 72.50 69.71 1f22 s THR 5 CO 0.27 0.36 1.67 -0.31 -2.21 0.00 0.00 174.62 174.41 1f22 s TYR 6 N -0.48 1.88 -0.92 9.09 2.02 0.27 -4.89 117.35 124.32 1f22 s TYR 6 Ca 0.07 0.55 -0.21 0.00 -0.37 0.00 0.00 57.07 57.10 1f22 s TYR 6 Cb -0.07 -4.25 -0.12 0.00 -0.40 0.00 0.00 41.96 37.11 1f22 s TYR 6 CO -0.00 -2.25 1.94 -0.85 -1.57 0.00 0.00 175.55 172.82 1f22 n GLU 7 N 9.13 1.67 -1.96 -0.62 0.28 -1.26 -1.45 120.64 126.43 1f22 n GLU 7 Ca 0.16 -2.07 -0.29 0.00 -0.16 0.00 0.00 57.16 54.79 1f22 n GLU 7 Cb 0.51 -3.12 0.17 0.00 1.43 0.00 0.00 31.44 30.43 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 5.13 3.37 0.08 -1.84 2.20 -1.26 -4.94 114.94 117.67 1f22 s ASN 8 Ca 0.59 0.31 0.14 0.00 -0.94 0.00 0.00 52.86 52.96 1f22 s ASN 8 Cb 0.11 -0.43 -0.14 0.00 -2.00 0.00 0.00 41.25 38.79 1f22 s ASN 8 CO 0.11 -2.58 0.94 0.50 -2.94 0.00 0.00 177.10 173.13 1f22 h LYS 9 N -1.51 0.00 0.26 3.55 3.64 -2.02 -3.32 116.57 117.18 1f22 h LYS 9 Ca -0.44 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 1f22 h LYS 9 Cb 1.25 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.03 1f22 h LYS 9 CO 0.42 0.47 -0.51 0.87 -2.27 0.00 0.00 179.45 178.44 1f22 h LYS 10 N 0.00 -0.81 0.00 1.90 1.79 -1.97 -3.45 116.57 114.03 1f22 h LYS 10 Ca -0.15 0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.38 1f22 h LYS 10 Cb 1.69 0.18 0.00 0.00 -1.58 0.00 0.00 32.23 32.53 1f22 h LYS 10 CO 0.07 -0.54 0.00 0.41 -1.08 0.00 0.00 179.45 178.31 1f22 n GLY 11 N -1.51 -0.64 3.09 3.86 0.00 -1.26 -4.82 105.19 103.90 1f22 n GLY 11 Ca -0.10 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -7.35 -4.65 1.61 5.03 -1.25 -0.04 115.26 108.61 1f22 n ASN 12 Ca 0.00 0.82 -0.43 0.00 0.87 0.00 0.00 54.58 55.84 1f22 n ASN 12 Cb 0.00 -1.54 -0.02 0.00 -1.02 0.00 0.00 39.78 37.20 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 -0.25 4.17 0.14 2.41 1.01 -0.53 -4.10 120.40 123.25 1f22 s VAL 13 Ca 0.00 1.39 -0.23 0.00 0.00 0.00 0.00 61.98 63.14 1f22 s VAL 13 Cb 0.00 -3.97 -0.08 0.00 0.00 0.00 0.00 36.38 32.34 1f22 s VAL 13 CO 0.00 -0.20 0.70 -0.89 0.00 0.00 0.00 175.10 174.71 1f22 s THR 14 N 3.80 4.50 -0.09 3.92 2.01 -1.20 -0.57 115.64 128.01 1f22 s THR 14 Ca 0.57 1.52 -0.04 0.00 0.31 0.00 0.00 61.69 64.06 1f22 s THR 14 Cb -0.22 -4.05 0.05 0.00 0.01 0.00 0.00 72.50 68.29 1f22 s THR 14 CO 0.18 0.52 0.20 0.72 -0.69 0.00 0.00 174.62 175.55 1f22 s PHE 15 N -1.15 -0.26 -0.95 4.92 -0.71 -0.21 -4.94 117.98 114.68 1f22 s PHE 15 Ca 0.34 0.69 -0.24 0.00 -1.04 0.00 0.00 56.93 56.68 1f22 s PHE 15 Cb -0.22 -0.08 -0.03 0.00 -1.21 0.00 0.00 43.02 41.48 1f22 s PHE 15 CO 0.24 -0.25 1.83 -0.51 -1.34 0.00 0.00 175.22 175.19 1f22 s ASP 16 N 1.71 5.47 0.18 1.98 1.11 -1.26 -1.93 116.67 123.94 1f22 s ASP 16 Ca -0.04 -0.93 -0.21 0.00 0.18 0.00 0.00 52.55 51.55 1f22 s ASP 16 Cb -0.11 -2.56 0.11 0.00 1.07 0.00 0.00 42.92 41.42 1f22 s ASP 16 CO -0.07 -2.46 1.59 -0.74 1.18 0.00 0.00 175.17 174.67 1f22 h HIS 17 N 10.81 -0.90 -0.34 4.23 2.76 -1.88 0.16 115.15 129.99 1f22 h HIS 17 Ca 0.13 0.07 -0.01 0.00 -2.20 0.00 0.00 60.37 58.36 1f22 h HIS 17 Cb 1.00 0.47 -0.02 0.00 1.55 0.00 0.00 27.41 30.42 1f22 h HIS 17 CO 1.24 -0.38 0.19 1.57 -1.30 0.00 0.00 177.93 179.25 1f22 h LYS 18 N -0.18 0.47 -0.03 5.26 -0.00 -1.84 0.31 116.57 120.57 1f22 h LYS 18 Ca 0.22 -0.05 0.03 0.00 -0.00 0.00 0.00 60.65 60.85 1f22 h LYS 18 Cb 0.54 -0.09 -0.04 0.00 -0.00 0.00 0.00 32.23 32.63 1f22 h LYS 18 CO -0.64 0.38 -0.23 0.00 -0.00 0.00 0.00 179.45 178.97 1f22 h ALA 19 N 1.06 -0.28 -0.97 0.07 0.00 -1.86 0.15 119.26 117.44 1f22 h ALA 19 Ca 0.12 0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.16 1f22 h ALA 19 Cb 0.04 0.41 -0.08 0.00 0.00 0.00 0.00 17.79 18.16 1f22 h ALA 19 CO -0.02 -0.72 0.61 0.45 0.00 0.00 0.00 179.25 179.58 1f22 h HIS 20 N -0.34 1.06 0.14 0.00 3.86 -0.59 -0.35 115.15 118.93 1f22 h HIS 20 Ca 0.07 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.30 1f22 h HIS 20 Cb 0.44 -0.34 0.00 0.00 1.06 0.00 0.00 27.41 28.57 1f22 h HIS 20 CO -0.28 0.43 -0.07 0.00 0.86 0.00 0.00 177.93 178.87 1f22 h ALA 21 N 1.55 -0.19 -0.38 2.45 0.00 0.12 0.99 119.26 123.81 1f22 h ALA 21 Ca 0.47 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 55.21 1f22 h ALA 21 Cb 0.51 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1f22 h ALA 21 CO -0.24 -0.56 -0.12 1.05 0.00 0.00 0.00 179.25 179.38 1f22 h GLU 22 N -0.28 0.75 -0.05 0.00 4.11 -0.33 0.36 114.58 119.13 1f22 h GLU 22 Ca -0.02 -0.30 -0.02 0.00 0.07 0.00 0.00 59.36 59.09 1f22 h GLU 22 Cb 0.23 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 1f22 h GLU 22 CO 0.03 0.90 -0.06 0.87 0.07 0.00 0.00 179.01 180.82 1f22 h LYS 23 N 0.55 0.13 0.00 1.06 1.79 -1.04 -3.37 116.57 115.69 1f22 h LYS 23 Ca 0.09 -0.08 -0.14 0.00 -2.18 0.00 0.00 60.65 58.34 1f22 h LYS 23 Cb 0.65 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.28 1f22 h LYS 23 CO 0.04 0.61 -0.81 -0.07 -1.08 0.00 0.00 179.45 178.14 1f22 h LEU 24 N -0.33 0.00 0.00 2.94 4.07 -0.85 -3.50 115.31 117.64 1f22 h LEU 24 Ca 0.01 -0.61 0.00 0.00 0.08 0.00 0.00 57.88 57.35 1f22 h LEU 24 Cb 0.59 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.33 1f22 h LEU 24 CO 0.02 1.28 0.00 0.61 -1.08 0.00 0.00 178.44 179.27 1f22 n GLY 25 N 1.50 1.36 5.00 0.83 0.00 0.13 -4.75 105.19 109.26 1f22 n GLY 25 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.46 -0.99 0.00 2.03 -1.85 0.27 116.42 115.42 1f22 h ASP 27 Ca 0.00 0.26 0.35 0.00 -0.73 0.00 0.00 57.03 56.91 1f22 h ASP 27 Cb 0.00 0.46 -0.17 0.00 -0.83 0.00 0.00 39.33 38.79 1f22 h ASP 27 CO 0.00 -0.31 0.39 0.00 -1.03 0.00 0.00 179.24 178.28 1f22 h ALA 28 N 1.93 1.81 0.00 4.15 0.00 -1.86 -2.94 119.26 122.34 1f22 h ALA 28 Ca 0.56 0.27 -0.03 0.00 0.00 0.00 0.00 54.91 55.71 1f22 h ALA 28 Cb 1.11 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 1f22 h ALA 28 CO -0.87 -0.76 -1.15 0.00 0.00 0.00 0.00 179.25 176.46 1f22 s HIS 30 N -2.11 1.21 0.00 0.00 3.76 0.66 -5.01 115.29 113.81 1f22 s HIS 30 Ca -0.01 -1.33 0.00 0.00 -0.15 0.00 0.00 55.06 53.57 1f22 s HIS 30 Cb 0.01 -1.36 0.00 0.00 1.11 0.00 0.00 32.58 32.34 1f22 s HIS 30 CO 0.11 -0.81 0.00 0.39 -0.85 0.00 0.00 174.74 173.58 1f22 n GLU 31 N 4.99 0.00 -1.42 1.40 1.02 -1.25 -3.53 120.64 121.85 1f22 n GLU 31 Ca -0.05 0.12 -0.37 0.00 -0.02 0.00 0.00 57.16 56.84 1f22 n GLU 31 Cb 0.43 -0.52 -0.03 0.00 -0.02 0.00 0.00 31.44 31.30 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 1.93 4.36 0.64 0.62 0.00 -1.26 -4.79 105.19 106.69 1f22 n GLY 32 Ca 0.00 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.43 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 3.14 -2.81 -2.39 2.61 -1.04 -1.26 -4.94 114.28 107.59 1f22 n THR 33 Ca 0.74 0.89 -0.41 0.00 -2.04 0.00 0.00 64.05 63.23 1f22 n THR 33 Cb 0.28 -1.91 -0.04 0.00 -1.82 0.00 0.00 70.33 66.84 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 -3.30 4.54 -0.41 -2.82 0.04 -1.26 -4.94 135.00 126.85 1f22 s PRO 34 Ca 0.00 1.88 0.09 0.00 0.04 0.00 0.00 61.00 63.01 1f22 s PRO 34 Cb 0.00 -3.20 0.37 0.00 0.04 0.00 0.00 34.50 31.70 1f22 s PRO 34 CO 0.00 0.03 1.15 0.00 0.04 0.00 0.00 177.00 178.22 1f22 n ALA 35 N 1.78 0.81 -1.33 8.56 0.00 -1.26 -5.11 120.51 123.97 1f22 n ALA 35 Ca 0.02 -1.82 0.18 0.00 0.00 0.00 0.00 53.44 51.82 1f22 n ALA 35 Cb 0.44 -1.05 -0.05 0.00 0.00 0.00 0.00 19.45 18.80 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 -0.07 -2.73 0.02 0.00 4.76 -1.26 -4.95 118.16 113.93 1f22 n LYS 36 Ca 0.05 1.87 0.00 0.00 -2.87 0.00 0.00 58.31 57.37 1f22 n LYS 36 Cb 0.77 -3.31 0.00 0.00 -1.84 0.00 0.00 35.03 30.65 1f22 n LYS 36 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1f22 n ILE 37 N -4.03 0.44 -1.73 -0.18 2.08 -1.26 -5.09 119.36 109.59 1f22 n ILE 37 Ca -0.00 0.15 -0.01 0.00 0.56 0.00 0.00 62.75 63.45 1f22 n ILE 37 Cb 0.61 -1.51 0.00 0.00 -0.75 0.00 0.00 39.64 37.99 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 -3.17 -2.24 -2.22 -1.39 0.00 -1.26 -5.02 120.51 105.21 1f22 n ALA 38 Ca 0.00 0.08 -0.43 0.00 0.00 0.00 0.00 53.44 53.09 1f22 n ALA 38 Cb 0.31 -0.39 -0.02 0.00 0.00 0.00 0.00 19.45 19.35 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 -2.25 3.88 0.36 0.00 -1.09 -1.26 -4.87 121.20 115.97 1f22 s ILE 39 Ca 0.02 1.01 0.05 0.00 -2.23 0.00 0.00 60.65 59.50 1f22 s ILE 39 Cb -0.00 -3.83 -0.06 0.00 -1.58 0.00 0.00 42.46 36.98 1f22 s ILE 39 CO 0.12 -0.29 0.05 -1.81 -1.23 0.00 0.00 174.94 171.78 1f22 s ASP 40 N 3.43 2.85 0.18 3.58 1.01 -1.26 -4.98 116.67 121.48 1f22 s ASP 40 Ca 0.65 -1.40 -0.18 0.00 0.71 0.00 0.00 52.55 52.33 1f22 s ASP 40 Cb -0.23 -0.12 0.12 0.00 1.01 0.00 0.00 42.92 43.70 1f22 s ASP 40 CO 0.25 -0.59 1.63 0.50 0.21 0.00 0.00 175.17 177.18 1f22 h LYS 41 N 1.98 -0.10 0.00 8.23 3.64 -1.97 0.21 116.57 128.56 1f22 h LYS 41 Ca -0.41 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.97 1f22 h LYS 41 Cb 1.25 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 1f22 h LYS 41 CO 0.72 -0.06 0.00 0.36 -2.27 0.00 0.00 179.45 178.20 1f22 n LYS 42 N -5.38 0.07 -0.41 1.90 2.85 -1.26 -0.84 118.16 115.09 1f22 n LYS 42 Ca 0.03 0.03 0.00 0.00 -1.05 0.00 0.00 58.31 57.32 1f22 n LYS 42 Cb 0.29 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.17 1f22 n LYS 42 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1f22 n SER 43 N -1.03 0.00 0.16 -5.58 7.64 0.57 -4.53 113.62 110.84 1f22 n SER 43 Ca 0.02 -1.63 0.00 0.00 1.01 0.00 0.00 58.87 58.27 1f22 n SER 43 Cb 0.01 -0.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.08 1f22 n SER 43 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1f22 n ALA 44 N 0.00 2.61 1.22 -0.43 0.00 -0.25 -4.37 120.51 119.29 1f22 n ALA 44 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 1f22 n ALA 44 Cb 0.63 0.00 0.40 0.00 0.00 0.00 0.00 19.45 20.47 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 -3.47 0.00 -0.07 0.00 8.25 -0.02 -0.92 115.22 119.01 1f22 n HIS 45 Ca 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.35 1f22 n HIS 45 Cb 0.00 -0.17 -0.04 0.00 1.12 0.00 0.00 29.99 30.90 1f22 n HIS 45 CO 0.00 0.00 0.00 1.57 0.64 0.00 0.00 176.34 178.55 1f22 h LYS 46 N 0.85 0.33 0.00 -0.41 5.09 -1.75 -3.45 116.57 117.22 1f22 h LYS 46 Ca 0.00 -0.07 0.00 0.00 0.09 0.00 0.00 60.65 60.67 1f22 h LYS 46 Cb 0.48 -0.05 0.00 0.00 0.10 0.00 0.00 32.23 32.76 1f22 h LYS 46 CO 0.00 0.43 0.00 -0.25 -2.09 0.00 0.00 179.45 177.54 1f22 n ASP 47 N -4.78 0.00 0.00 7.07 8.00 -1.24 -5.07 116.55 120.53 1f22 n ASP 47 Ca -0.04 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.46 1f22 n ASP 47 Cb 0.15 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.25 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 0.00 2.15 0.01 2.24 0.00 -0.09 -4.87 120.51 119.95 1f22 n ALA 48 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1f22 n ALA 48 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 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 -4.89 1.88 0.15 0.00 3.00 -1.24 -3.14 118.16 113.93 1f22 n LYS 50 Ca -0.08 -0.90 0.00 0.00 -0.00 0.00 0.00 58.31 57.32 1f22 n LYS 50 Cb 0.26 -1.91 0.00 0.00 0.00 0.00 0.00 35.03 33.37 1f22 n LYS 50 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 1f22 n THR 51 N 2.43 0.00 -0.09 3.15 -1.04 -1.22 -4.85 114.28 112.67 1f22 n THR 51 Ca 0.39 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 62.34 1f22 n THR 51 Cb 0.87 -0.35 0.00 0.00 -1.82 0.00 0.00 70.33 69.03 1f22 n THR 51 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1f22 n HIS 53 N -5.18 0.00 -0.05 0.00 8.25 -1.26 -4.64 115.22 112.35 1f22 n HIS 53 Ca 0.00 -0.09 -0.01 0.00 -0.26 0.00 0.00 57.72 57.36 1f22 n HIS 53 Cb 0.16 -0.10 -0.01 0.00 1.12 0.00 0.00 29.99 31.16 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 0.32 -0.05 -0.63 -0.41 4.76 -1.19 -0.95 118.16 120.01 1f22 n LYS 54 Ca 0.00 0.42 0.02 0.00 -2.87 0.00 0.00 58.31 55.88 1f22 n LYS 54 Cb 0.20 -0.62 0.20 0.00 -1.84 0.00 0.00 35.03 32.97 1f22 n LYS 54 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1f22 n SER 55 N -3.04 2.29 -0.66 4.39 2.88 -1.26 -4.93 113.62 113.28 1f22 n SER 55 Ca 0.00 -3.70 0.00 0.00 -1.33 0.00 0.00 58.87 53.85 1f22 n SER 55 Cb 0.03 -0.57 0.00 0.00 -0.75 0.00 0.00 64.21 62.92 1f22 n SER 55 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1f22 n ASN 56 N -1.11 0.00 -4.77 -3.46 3.02 -0.13 -5.04 115.26 103.78 1f22 n ASN 56 Ca 0.25 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.44 1f22 n ASN 56 Cb 0.86 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 40.03 1f22 n ASN 56 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1f22 s ASN 57 N -1.00 5.80 -0.32 6.41 2.20 -1.26 -5.02 114.94 121.75 1f22 s ASN 57 Ca 0.00 2.37 0.01 0.00 -0.94 0.00 0.00 52.86 54.30 1f22 s ASN 57 Cb 0.00 -2.60 0.10 0.00 -2.00 0.00 0.00 41.25 36.75 1f22 s ASN 57 CO 0.00 -1.17 0.08 -0.83 -2.94 0.00 0.00 177.10 172.24 1f22 s GLY 58 N -1.40 1.34 0.86 0.45 0.00 -1.26 -4.86 107.32 102.45 1f22 s GLY 58 Ca 0.68 -1.94 -0.12 0.00 0.00 0.00 0.00 44.72 43.35 1f22 s GLY 58 CO 0.35 1.41 1.15 2.56 0.00 0.00 0.00 173.10 178.57 1f22 s PRO 59 N 1.39 1.53 0.00 2.90 0.04 -1.26 -4.99 135.00 134.61 1f22 s PRO 59 Ca 0.10 0.27 0.00 0.00 0.04 0.00 0.00 61.00 61.41 1f22 s PRO 59 Cb -0.18 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.48 1f22 s PRO 59 CO -0.20 -1.93 0.00 -2.37 0.04 0.00 0.00 177.00 172.54 1f22 n THR 60 N -3.58 0.00 -3.11 1.26 5.66 -1.26 -4.89 114.28 108.37 1f22 n THR 60 Ca 0.07 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.83 1f22 n THR 60 Cb 0.59 -0.10 -0.05 0.00 -1.55 0.00 0.00 70.33 69.23 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 -2.30 2.26 0.00 1.09 4.76 -1.26 -5.08 118.16 117.63 1f22 n LYS 61 Ca 0.00 -4.27 0.00 0.00 -2.87 0.00 0.00 58.31 51.17 1f22 n LYS 61 Cb 0.00 -2.00 0.00 0.00 -1.84 0.00 0.00 35.03 31.19 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 1.49 0.33 0.00 0.00 -1.26 -4.73 105.19 101.02 1f22 n GLY 63 Ca 0.00 -0.13 0.20 0.00 0.00 0.00 0.00 46.02 46.09 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 1.66 0.00 -0.02 0.00 -1.98 -3.36 103.07 99.37 1f22 h GLY 64 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1f22 h GLY 64 CO 0.00 -0.56 -0.44 0.00 0.00 0.00 0.00 176.54 175.54 1f22 s HIS 66 N -2.00 2.71 -1.35 0.00 4.02 -1.26 -3.25 115.29 114.16 1f22 s HIS 66 Ca 0.00 0.79 -0.16 0.00 1.02 0.00 0.00 55.06 56.72 1f22 s HIS 66 Cb 0.00 -3.64 0.07 0.00 -1.02 0.00 0.00 32.58 28.00 1f22 s HIS 66 CO 0.00 -2.37 1.89 -0.89 1.02 0.00 0.00 174.74 174.39 1f22 n ILE 67 N 5.06 3.82 -1.86 0.60 2.08 0.94 -4.41 119.36 125.58 1f22 n ILE 67 Ca 0.14 -3.80 0.00 0.00 0.56 0.00 0.00 62.75 59.65 1f22 n ILE 67 Cb 0.44 -2.45 0.00 0.00 -0.75 0.00 0.00 39.64 36.89 1f22 n ILE 67 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28