#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 0.98 -0.20 0.00 9.92 -1.26 -4.24 116.55 121.74 1f22 n ASP 2 Ca 0.00 -0.77 0.00 0.00 -0.53 0.00 0.00 54.79 53.49 1f22 n ASP 2 Cb 0.00 -1.28 0.00 0.00 -0.64 0.00 0.00 41.12 39.20 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 7.67 -1.53 -4.23 2.53 0.31 -1.26 -4.92 118.33 116.90 1f22 n VAL 3 Ca 0.52 0.29 -0.13 0.00 -0.01 0.00 0.00 64.34 65.01 1f22 n VAL 3 Cb 0.33 -0.92 -0.10 0.00 -0.91 0.00 0.00 33.84 32.24 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 -1.54 0.71 0.06 2.52 1.01 -0.74 -4.84 120.40 117.59 1f22 s VAL 4 Ca 0.00 -1.98 0.06 0.00 0.00 0.00 0.00 61.98 60.06 1f22 s VAL 4 Cb 0.00 -2.06 -0.03 0.00 0.00 0.00 0.00 36.38 34.30 1f22 s VAL 4 CO 0.00 -0.54 -0.15 0.28 0.00 0.00 0.00 175.10 174.69 1f22 s THR 5 N -3.63 1.22 0.21 3.92 -1.32 -1.26 -0.75 115.64 114.03 1f22 s THR 5 Ca 0.22 -1.23 0.32 0.00 -1.21 0.00 0.00 61.69 59.79 1f22 s THR 5 Cb 0.06 -1.14 0.36 0.00 -1.51 0.00 0.00 72.50 70.27 1f22 s THR 5 CO 0.03 -0.11 2.01 1.88 -2.21 0.00 0.00 174.62 176.22 1f22 h TYR 6 N 4.50 0.00 -6.26 9.09 0.05 -1.83 -3.48 116.97 119.03 1f22 h TYR 6 Ca -0.41 0.00 -0.30 0.00 0.05 0.00 0.00 58.73 58.07 1f22 h TYR 6 Cb 1.18 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.94 1f22 h TYR 6 CO 0.59 0.06 -1.05 0.39 -1.05 0.00 0.00 178.16 177.10 1f22 n GLU 7 N -3.21 -2.03 -3.59 4.88 1.02 -1.26 -4.94 120.64 111.50 1f22 n GLU 7 Ca -0.00 1.58 -0.22 0.00 -0.02 0.00 0.00 57.16 58.50 1f22 n GLU 7 Cb 0.29 -2.91 -0.02 0.00 -0.02 0.00 0.00 31.44 28.79 1f22 n GLU 7 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1f22 s ASN 8 N -1.76 4.97 0.55 1.62 0.01 -1.26 -4.92 114.94 114.15 1f22 s ASN 8 Ca 0.35 -0.85 0.34 0.00 -0.71 0.00 0.00 52.86 51.99 1f22 s ASN 8 Cb -0.05 -0.33 1.46 0.00 0.41 0.00 0.00 41.25 42.74 1f22 s ASN 8 CO 0.85 -0.78 2.02 0.50 -1.51 0.00 0.00 177.10 178.19 1f22 h LYS 9 N 0.93 0.00 0.47 -0.60 1.63 -2.03 -3.26 116.57 113.71 1f22 h LYS 9 Ca -0.40 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.38 1f22 h LYS 9 Cb 1.27 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.91 1f22 h LYS 9 CO 0.56 0.03 -0.23 0.87 -3.45 0.00 0.00 179.45 177.23 1f22 h LYS 10 N 0.00 -0.61 0.00 1.90 1.79 -2.02 -3.47 116.57 114.16 1f22 h LYS 10 Ca -0.00 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 1f22 h LYS 10 Cb 0.46 0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.25 1f22 h LYS 10 CO 0.00 -0.41 0.00 0.41 -1.08 0.00 0.00 179.45 178.38 1f22 n GLY 11 N -0.09 -1.82 0.27 3.86 0.00 -1.23 -4.83 105.19 101.35 1f22 n GLY 11 Ca -0.08 0.76 0.00 0.00 0.00 0.00 0.00 46.02 46.70 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 -4.59 1.61 5.03 -1.24 -0.85 115.26 115.22 1f22 n ASN 12 Ca 0.00 0.00 -0.42 0.00 0.87 0.00 0.00 54.58 55.03 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 3.18 -0.12 2.41 1.01 -1.26 -4.54 120.40 121.08 1f22 s VAL 13 Ca 0.00 0.18 -0.24 0.00 0.00 0.00 0.00 61.98 61.91 1f22 s VAL 13 Cb 0.00 -3.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.07 1f22 s VAL 13 CO 0.00 -0.20 0.76 -0.89 0.00 0.00 0.00 175.10 174.76 1f22 s THR 14 N 8.48 4.97 -0.17 3.92 2.01 -1.25 -2.53 115.64 131.06 1f22 s THR 14 Ca 0.91 1.51 -0.01 0.00 0.31 0.00 0.00 61.69 64.41 1f22 s THR 14 Cb -0.26 -4.08 0.05 0.00 0.01 0.00 0.00 72.50 68.22 1f22 s THR 14 CO 0.32 0.14 -0.02 0.72 -0.69 0.00 0.00 174.62 175.09 1f22 s PHE 15 N 1.51 1.44 -1.21 4.92 -0.71 0.07 -4.99 117.98 119.00 1f22 s PHE 15 Ca 0.37 -0.97 -0.21 0.00 -1.04 0.00 0.00 56.93 55.08 1f22 s PHE 15 Cb -0.17 -1.19 -0.03 0.00 -1.21 0.00 0.00 43.02 40.41 1f22 s PHE 15 CO 0.15 -0.59 1.86 -0.51 -1.34 0.00 0.00 175.22 174.79 1f22 s ASP 16 N 1.72 5.62 0.08 1.98 1.11 -1.26 -1.79 116.67 124.13 1f22 s ASP 16 Ca 0.00 -1.86 -0.15 0.00 0.18 0.00 0.00 52.55 50.71 1f22 s ASP 16 Cb -0.16 -2.59 -0.04 0.00 1.07 0.00 0.00 42.92 41.21 1f22 s ASP 16 CO -0.07 -2.45 1.26 -0.74 1.18 0.00 0.00 175.17 174.35 1f22 h HIS 17 N 9.12 -0.92 0.27 4.23 2.76 -1.88 0.50 115.15 129.23 1f22 h HIS 17 Ca 0.28 0.06 -0.01 0.00 -2.20 0.00 0.00 60.37 58.50 1f22 h HIS 17 Cb 0.92 0.46 -0.00 0.00 1.55 0.00 0.00 27.41 30.34 1f22 h HIS 17 CO 1.28 -0.18 -0.15 -0.22 -1.30 0.00 0.00 177.93 177.36 1f22 h LYS 18 N -0.01 -0.38 -0.22 5.26 3.64 -1.88 0.75 116.57 123.72 1f22 h LYS 18 Ca 0.08 0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.53 1f22 h LYS 18 Cb 0.20 0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 32.04 1f22 h LYS 18 CO -0.45 -0.25 -0.42 0.00 -2.27 0.00 0.00 179.45 176.05 1f22 h ALA 19 N 0.33 -0.54 -0.50 5.00 0.00 -1.90 0.25 119.26 121.89 1f22 h ALA 19 Ca -0.03 0.01 0.10 0.00 0.00 0.00 0.00 54.91 54.99 1f22 h ALA 19 Cb 0.32 0.82 -0.08 0.00 0.00 0.00 0.00 17.79 18.85 1f22 h ALA 19 CO 0.04 -0.91 0.00 0.45 0.00 0.00 0.00 179.25 178.84 1f22 h HIS 20 N -0.44 -0.03 0.28 0.00 3.86 -0.77 -0.73 115.15 117.32 1f22 h HIS 20 Ca 0.09 0.04 -0.00 0.00 -1.16 0.00 0.00 60.37 59.34 1f22 h HIS 20 Cb 0.61 0.09 -0.01 0.00 1.06 0.00 0.00 27.41 29.16 1f22 h HIS 20 CO -0.53 -0.11 -0.22 0.00 0.86 0.00 0.00 177.93 177.92 1f22 h ALA 21 N 1.44 -0.50 -0.12 2.45 0.00 0.11 0.14 119.26 122.78 1f22 h ALA 21 Ca 0.25 -0.08 -0.18 0.00 0.00 0.00 0.00 54.91 54.90 1f22 h ALA 21 Cb 0.38 0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1f22 h ALA 21 CO -0.42 -0.80 -0.68 1.05 0.00 0.00 0.00 179.25 178.40 1f22 h GLU 22 N -0.51 0.52 0.11 0.00 4.11 -0.36 0.73 114.58 119.18 1f22 h GLU 22 Ca -0.02 -0.39 -0.01 0.00 0.07 0.00 0.00 59.36 59.02 1f22 h GLU 22 Cb 0.46 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1f22 h GLU 22 CO -0.02 1.01 -0.05 0.87 0.07 0.00 0.00 179.01 180.89 1f22 h LYS 23 N 0.37 -0.15 0.13 1.06 1.79 -1.06 -3.38 116.57 115.33 1f22 h LYS 23 Ca -0.02 0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.45 1f22 h LYS 23 Cb 1.25 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.94 1f22 h LYS 23 CO 0.12 0.27 -0.06 -0.07 -1.08 0.00 0.00 179.45 178.63 1f22 h LEU 24 N -0.62 -0.15 0.00 2.94 4.07 -0.74 -3.51 115.31 117.31 1f22 h LEU 24 Ca -0.02 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.95 1f22 h LEU 24 Cb 0.49 0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.27 1f22 h LEU 24 CO 0.03 0.18 0.00 0.61 -1.08 0.00 0.00 178.44 178.18 1f22 n GLY 25 N 1.24 -0.38 0.00 0.83 0.00 0.25 -4.94 105.19 102.21 1f22 n GLY 25 Ca -0.02 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.12 -0.23 0.00 5.75 -1.14 -0.55 116.55 120.26 1f22 n ASP 27 Ca 0.00 0.60 0.03 0.00 -0.01 0.00 0.00 54.79 55.41 1f22 n ASP 27 Cb 0.00 -0.19 0.08 0.00 -1.03 0.00 0.00 41.12 39.98 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 -3.82 0.12 0.00 2.12 0.00 -1.26 -3.27 120.51 114.40 1f22 n ALA 28 Ca 0.06 0.69 0.00 0.00 0.00 0.00 0.00 53.44 54.19 1f22 n ALA 28 Cb 0.19 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.24 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 -1.94 2.16 -0.03 0.00 3.76 0.28 -5.00 115.29 114.52 1f22 s HIS 30 Ca 0.00 -1.83 -0.19 0.00 -0.15 0.00 0.00 55.06 52.90 1f22 s HIS 30 Cb 0.00 -1.77 -0.11 0.00 1.11 0.00 0.00 32.58 31.80 1f22 s HIS 30 CO 0.00 -0.82 0.80 0.93 -0.85 0.00 0.00 174.74 174.80 1f22 h GLU 31 N 7.99 -0.50 0.00 1.40 5.08 -1.81 -3.00 114.58 123.74 1f22 h GLU 31 Ca -0.14 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1f22 h GLU 31 Cb 1.05 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1f22 h GLU 31 CO 0.44 -0.25 0.00 0.41 -1.00 0.00 0.00 179.01 178.61 1f22 n GLY 32 N 0.23 3.58 3.50 -3.84 0.00 -1.26 -4.82 105.19 102.58 1f22 n GLY 32 Ca -0.08 -1.79 -0.51 0.00 0.00 0.00 0.00 46.02 43.64 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 0.25 -2.47 2.61 -1.04 -1.26 -4.89 114.28 107.48 1f22 n THR 33 Ca 0.00 -0.23 -0.43 0.00 -2.04 0.00 0.00 64.05 61.35 1f22 n THR 33 Cb 0.00 -1.68 -0.02 0.00 -1.82 0.00 0.00 70.33 66.81 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 5.73 3.55 -0.37 -2.82 0.04 -1.26 -4.86 135.00 135.00 1f22 s PRO 34 Ca 1.06 0.61 0.12 0.00 0.04 0.00 0.00 61.00 62.83 1f22 s PRO 34 Cb -0.83 -4.01 0.44 0.00 0.04 0.00 0.00 34.50 30.14 1f22 s PRO 34 CO 0.50 -1.62 1.02 0.00 0.04 0.00 0.00 177.00 176.94 1f22 n ALA 35 N 8.65 4.15 -1.48 8.56 0.00 -1.26 -5.08 120.51 134.05 1f22 n ALA 35 Ca 0.13 -3.67 0.00 0.00 0.00 0.00 0.00 53.44 49.90 1f22 n ALA 35 Cb 0.49 -0.76 0.00 0.00 0.00 0.00 0.00 19.45 19.17 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 -0.24 -3.28 -0.10 0.00 2.85 -1.26 -4.97 118.16 111.15 1f22 n LYS 36 Ca 0.22 2.54 -0.18 0.00 -1.05 0.00 0.00 58.31 59.84 1f22 n LYS 36 Cb 0.75 -3.29 -0.12 0.00 -0.65 0.00 0.00 35.03 31.71 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 -2.46 1.54 -2.36 0.58 5.41 -1.26 -5.04 119.36 115.78 1f22 n ILE 37 Ca 0.00 -0.59 -0.01 0.00 1.00 0.00 0.00 62.75 63.15 1f22 n ILE 37 Cb 0.37 -1.45 0.00 0.00 -0.71 0.00 0.00 39.64 37.85 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 -3.20 -2.02 -2.33 -1.39 0.00 -1.26 -5.00 120.51 105.31 1f22 n ALA 38 Ca -0.43 0.01 -0.43 0.00 0.00 0.00 0.00 53.44 52.59 1f22 n ALA 38 Cb 1.00 -0.99 -0.02 0.00 0.00 0.00 0.00 19.45 19.44 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 -3.01 4.10 0.25 0.00 -1.09 -1.26 -4.78 121.20 115.40 1f22 s ILE 39 Ca 0.02 1.30 0.01 0.00 -2.23 0.00 0.00 60.65 59.75 1f22 s ILE 39 Cb -0.00 -3.92 -0.04 0.00 -1.58 0.00 0.00 42.46 36.91 1f22 s ILE 39 CO 0.41 -0.21 0.15 1.51 -1.23 0.00 0.00 174.94 175.57 1f22 s ASP 40 N 2.56 0.79 0.08 3.58 -4.77 -1.25 -4.98 116.67 112.69 1f22 s ASP 40 Ca 0.59 -1.47 -0.16 0.00 -3.30 0.00 0.00 52.55 48.21 1f22 s ASP 40 Cb -0.23 0.37 -0.04 0.00 -1.09 0.00 0.00 42.92 41.94 1f22 s ASP 40 CO 0.20 -0.86 0.90 2.29 0.70 0.00 0.00 175.17 178.40 1f22 n LYS 41 N -0.41 -0.23 0.27 2.11 2.85 -1.26 0.49 118.16 121.97 1f22 n LYS 41 Ca 0.02 0.89 0.14 0.00 -1.05 0.00 0.00 58.31 58.31 1f22 n LYS 41 Cb 0.65 -1.31 0.74 0.00 -0.65 0.00 0.00 35.03 34.47 1f22 n LYS 41 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 177.40 178.22 1f22 h LYS 42 N 0.00 0.00 -0.54 -1.58 1.57 -1.97 -0.42 116.57 113.62 1f22 h LYS 42 Ca 0.08 0.00 -0.39 0.00 -1.87 0.00 0.00 60.65 58.48 1f22 h LYS 42 Cb 0.22 0.00 -0.28 0.00 0.08 0.00 0.00 32.23 32.25 1f22 h LYS 42 CO -0.50 0.11 -0.53 0.43 -0.57 0.00 0.00 179.45 178.39 1f22 n SER 43 N -3.49 4.08 0.17 0.86 7.64 0.18 -4.13 113.62 118.93 1f22 n SER 43 Ca -0.01 -3.80 0.00 0.00 1.01 0.00 0.00 58.87 56.07 1f22 n SER 43 Cb 0.25 -0.47 0.00 0.00 -1.01 0.00 0.00 64.21 62.98 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 -0.87 1.26 0.59 -0.43 0.00 -0.14 -3.80 120.51 117.12 1f22 n ALA 44 Ca 0.38 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.95 1f22 n ALA 44 Cb 0.89 0.00 0.30 0.00 0.00 0.00 0.00 19.45 20.64 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 0.00 0.00 -0.00 -1.26 -2.78 115.15 111.10 1f22 h HIS 45 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 1f22 h HIS 45 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.41 1f22 h HIS 45 CO 0.00 0.00 -0.06 -0.22 -0.00 0.00 0.00 177.93 177.65 1f22 h LYS 46 N 0.00 0.00 0.00 2.45 3.11 -1.72 -3.46 116.57 116.94 1f22 h LYS 46 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1f22 h LYS 46 Cb 0.75 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.98 1f22 h LYS 46 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 179.45 176.24 1f22 n ASP 47 N -2.58 0.00 0.00 4.20 5.68 -1.26 -4.90 116.55 117.69 1f22 n ASP 47 Ca -0.01 -1.00 0.00 0.00 -0.50 0.00 0.00 54.79 53.28 1f22 n ASP 47 Cb 0.03 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.01 1f22 n ASP 47 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1f22 n ALA 48 N 0.00 0.00 0.25 2.12 0.00 -1.24 -4.54 120.51 117.09 1f22 n ALA 48 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1f22 n ALA 48 Cb 0.45 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.85 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 -3.95 3.05 0.02 0.00 4.81 -1.25 -1.26 118.16 119.58 1f22 n LYS 50 Ca -0.08 -1.75 0.00 0.00 -0.87 0.00 0.00 58.31 55.61 1f22 n LYS 50 Cb 0.25 -2.49 0.00 0.00 0.02 0.00 0.00 35.03 32.81 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 3.13 0.00 -0.32 3.15 -1.04 -1.15 -4.83 114.28 113.22 1f22 n THR 51 Ca 0.65 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 62.62 1f22 n THR 51 Cb 0.50 -0.05 0.08 0.00 -1.82 0.00 0.00 70.33 69.04 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 -4.44 0.00 -1.48 0.00 -0.00 -0.39 -4.88 115.22 104.03 1f22 n HIS 53 Ca 0.09 -0.45 -0.42 0.00 -0.00 0.00 0.00 57.72 56.94 1f22 n HIS 53 Cb 0.04 -0.34 -0.12 0.00 -0.00 0.00 0.00 29.99 29.57 1f22 n HIS 53 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 1f22 n LYS 54 N 1.60 0.25 0.00 -0.41 4.76 -1.23 -1.27 118.16 121.86 1f22 n LYS 54 Ca 0.00 0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.45 1f22 n LYS 54 Cb 0.24 -1.91 0.00 0.00 -1.84 0.00 0.00 35.03 31.53 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 11.21 0.00 -0.27 4.39 2.88 -1.26 -4.67 113.62 125.89 1f22 n SER 55 Ca 0.58 0.00 0.17 0.00 -1.33 0.00 0.00 58.87 58.30 1f22 n SER 55 Cb 0.13 0.00 0.33 0.00 -0.75 0.00 0.00 64.21 63.91 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 3.33 0.04 -2.93 -3.46 3.02 -1.03 -0.70 115.26 113.53 1f22 n ASN 56 Ca 0.00 1.37 -0.13 0.00 -0.03 0.00 0.00 54.58 55.79 1f22 n ASN 56 Cb 0.00 -0.56 0.03 0.00 -0.61 0.00 0.00 39.78 38.64 1f22 n ASN 56 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1f22 n ASN 57 N -5.04 -0.21 0.00 6.41 3.02 -0.40 -5.03 115.26 114.01 1f22 n ASN 57 Ca 0.23 -3.10 0.00 0.00 -0.03 0.00 0.00 54.58 51.68 1f22 n ASN 57 Cb 0.78 0.25 0.00 0.00 -0.61 0.00 0.00 39.78 40.20 1f22 n ASN 57 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1f22 n GLY 58 N 0.16 1.52 3.99 7.41 0.00 0.12 -4.78 105.19 113.61 1f22 n GLY 58 Ca 0.15 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.03 3.09 0.00 1.61 0.04 -1.26 -4.77 135.00 133.67 1f22 s PRO 59 Ca 0.00 -0.95 0.00 0.00 0.04 0.00 0.00 61.00 60.09 1f22 s PRO 59 Cb 0.00 -2.78 0.00 0.00 0.04 0.00 0.00 34.50 31.76 1f22 s PRO 59 CO 0.00 -0.01 0.00 -2.37 0.04 0.00 0.00 177.00 174.66 1f22 n THR 60 N -1.72 0.00 -3.20 1.26 5.66 -1.26 -5.04 114.28 109.97 1f22 n THR 60 Ca 0.01 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.91 1f22 n THR 60 Cb 0.58 0.00 0.04 0.00 -1.55 0.00 0.00 70.33 69.40 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 0.00 -1.78 0.00 1.09 4.76 -1.26 -4.68 118.16 116.29 1f22 n LYS 61 Ca 0.00 1.12 0.00 0.00 -2.87 0.00 0.00 58.31 56.56 1f22 n LYS 61 Cb 0.00 -5.64 0.00 0.00 -1.84 0.00 0.00 35.03 27.55 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 1.33 0.18 0.00 0.00 -1.26 -4.77 105.19 100.68 1f22 n GLY 63 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.03 0.00 -0.02 0.00 -1.26 -3.64 105.19 99.24 1f22 n GLY 64 Ca 0.00 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.55 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 -1.89 3.32 -1.45 0.00 3.76 -1.24 -3.88 115.29 113.92 1f22 s HIS 66 Ca 0.00 1.29 -0.13 0.00 -0.15 0.00 0.00 55.06 56.07 1f22 s HIS 66 Cb 0.00 -3.15 0.05 0.00 1.11 0.00 0.00 32.58 30.59 1f22 s HIS 66 CO 0.00 -0.44 2.23 -0.89 -0.85 0.00 0.00 174.74 174.79 1f22 n ILE 67 N 5.28 3.62 -1.68 0.60 2.08 -0.03 -4.70 119.36 124.54 1f22 n ILE 67 Ca 0.09 -3.17 0.00 0.00 0.56 0.00 0.00 62.75 60.23 1f22 n ILE 67 Cb 0.47 -2.58 0.00 0.00 -0.75 0.00 0.00 39.64 36.78 1f22 n ILE 67 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40