#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 -3.64 0.00 5.68 -1.26 -4.51 116.55 112.82 1f22 n ASP 2 Ca 0.00 0.00 -0.15 0.00 -0.50 0.00 0.00 54.79 54.14 1f22 n ASP 2 Cb 0.00 0.02 -0.08 0.00 -1.14 0.00 0.00 41.12 39.93 1f22 n ASP 2 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1f22 s VAL 3 N -0.33 0.02 0.24 2.12 0.11 -1.26 0.07 120.40 121.36 1f22 s VAL 3 Ca 0.00 -0.13 0.05 0.00 -2.93 0.00 0.00 61.98 58.97 1f22 s VAL 3 Cb 0.00 -0.82 -0.05 0.00 -1.53 0.00 0.00 36.38 33.97 1f22 s VAL 3 CO 0.00 -0.07 -0.05 -0.69 -3.33 0.00 0.00 175.10 170.96 1f22 s VAL 4 N -0.75 1.39 0.03 2.04 1.01 -0.21 -4.80 120.40 119.11 1f22 s VAL 4 Ca -0.08 -2.09 0.03 0.00 0.00 0.00 0.00 61.98 59.83 1f22 s VAL 4 Cb -0.03 -2.31 -0.02 0.00 0.00 0.00 0.00 36.38 34.03 1f22 s VAL 4 CO 0.05 -0.38 -0.09 0.28 0.00 0.00 0.00 175.10 174.96 1f22 s THR 5 N -3.19 0.66 -0.03 3.92 -1.32 -1.26 -0.65 115.64 113.78 1f22 s THR 5 Ca 0.27 -0.87 -0.22 0.00 -1.21 0.00 0.00 61.69 59.66 1f22 s THR 5 Cb 0.04 -0.66 -0.24 0.00 -1.51 0.00 0.00 72.50 70.14 1f22 s THR 5 CO 0.09 -0.17 1.05 1.88 -2.21 0.00 0.00 174.62 175.26 1f22 h TYR 6 N 4.94 0.42 -1.11 9.09 0.05 -1.54 -3.49 116.97 125.34 1f22 h TYR 6 Ca -0.35 -0.23 0.00 0.00 0.05 0.00 0.00 58.73 58.20 1f22 h TYR 6 Cb 1.19 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 38.89 1f22 h TYR 6 CO 0.56 1.04 -0.28 -1.91 -1.05 0.00 0.00 178.16 176.53 1f22 n GLU 7 N -4.37 -1.31 -3.57 4.88 0.00 -1.26 -4.97 120.64 110.04 1f22 n GLU 7 Ca -0.10 0.99 0.03 0.00 0.00 0.00 0.00 57.16 58.08 1f22 n GLU 7 Cb 0.59 -1.16 -0.00 0.00 0.00 0.00 0.00 31.44 30.86 1f22 n GLU 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1f22 s ASN 8 N -2.92 -0.01 0.00 4.31 2.20 -1.26 -4.79 114.94 112.47 1f22 s ASN 8 Ca 0.00 -0.01 0.25 0.00 -0.94 0.00 0.00 52.86 52.16 1f22 s ASN 8 Cb 0.00 0.01 0.56 0.00 -2.00 0.00 0.00 41.25 39.82 1f22 s ASN 8 CO 0.00 -0.02 1.44 1.17 -2.94 0.00 0.00 177.10 176.75 1f22 n LYS 9 N -0.40 0.39 -0.03 3.55 3.00 -1.26 -3.61 118.16 119.80 1f22 n LYS 9 Ca -0.07 -0.24 -0.13 0.00 -0.00 0.00 0.00 58.31 57.88 1f22 n LYS 9 Cb 0.62 -1.50 -0.11 0.00 0.00 0.00 0.00 35.03 34.05 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 0.58 -0.03 0.00 1.64 1.79 -1.97 -3.48 116.57 115.10 1f22 h LYS 10 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1f22 h LYS 10 Cb 0.51 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.17 1f22 h LYS 10 CO 0.00 0.68 0.00 0.41 -1.08 0.00 0.00 179.45 179.46 1f22 n GLY 11 N 0.93 1.46 3.71 3.86 0.00 -1.24 -4.74 105.19 109.17 1f22 n GLY 11 Ca -0.09 0.47 -0.59 0.00 0.00 0.00 0.00 46.02 45.81 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 2.14 -4.55 1.61 5.03 -1.24 -4.06 115.26 114.18 1f22 n ASN 12 Ca 0.00 1.07 -0.42 0.00 0.87 0.00 0.00 54.58 56.10 1f22 n ASN 12 Cb 0.00 -1.09 -0.03 0.00 -1.02 0.00 0.00 39.78 37.64 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 3.62 3.93 0.40 2.41 1.01 -1.26 -3.57 120.40 126.94 1f22 s VAL 13 Ca 1.01 0.54 -0.20 0.00 0.00 0.00 0.00 61.98 63.32 1f22 s VAL 13 Cb -1.16 -4.80 -0.11 0.00 0.00 0.00 0.00 36.38 30.32 1f22 s VAL 13 CO 0.69 -1.57 0.91 0.28 0.00 0.00 0.00 175.10 175.41 1f22 s THR 14 N 5.18 4.42 -0.23 3.92 -1.32 -1.26 -1.23 115.64 125.13 1f22 s THR 14 Ca 0.37 1.43 -0.08 0.00 -1.21 0.00 0.00 61.69 62.19 1f22 s THR 14 Cb -0.09 -3.63 0.10 0.00 -1.51 0.00 0.00 72.50 67.37 1f22 s THR 14 CO 0.19 -0.26 0.50 0.72 -2.21 0.00 0.00 174.62 173.55 1f22 s PHE 15 N -2.11 -0.96 0.01 9.09 -0.71 0.18 -4.96 117.98 118.52 1f22 s PHE 15 Ca 0.60 1.78 -0.30 0.00 -1.04 0.00 0.00 56.93 57.97 1f22 s PHE 15 Cb -0.10 0.46 -0.08 0.00 -1.21 0.00 0.00 43.02 42.10 1f22 s PHE 15 CO 0.14 -0.53 1.88 -0.51 -1.34 0.00 0.00 175.22 174.86 1f22 s ASP 16 N 2.63 6.51 -0.07 1.98 1.11 -1.26 -1.04 116.67 126.52 1f22 s ASP 16 Ca -0.04 2.55 -0.12 0.00 0.18 0.00 0.00 52.55 55.12 1f22 s ASP 16 Cb -0.12 -2.53 -0.08 0.00 1.07 0.00 0.00 42.92 41.26 1f22 s ASP 16 CO -0.15 -1.02 0.47 -0.74 1.18 0.00 0.00 175.17 174.91 1f22 h HIS 17 N 10.29 -0.22 0.64 4.23 2.76 -0.68 -3.23 115.15 128.95 1f22 h HIS 17 Ca -0.47 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 57.67 1f22 h HIS 17 Cb 1.22 0.07 -0.01 0.00 1.55 0.00 0.00 27.41 30.24 1f22 h HIS 17 CO 0.94 0.03 -0.45 -0.22 -1.30 0.00 0.00 177.93 176.92 1f22 h LYS 18 N -1.02 -1.01 -0.68 5.26 3.64 -1.33 0.11 116.57 121.55 1f22 h LYS 18 Ca -0.02 0.07 0.07 0.00 -1.27 0.00 0.00 60.65 59.49 1f22 h LYS 18 Cb 0.34 0.23 -0.10 0.00 -0.41 0.00 0.00 32.23 32.29 1f22 h LYS 18 CO 0.04 -0.67 -0.57 0.00 -2.27 0.00 0.00 179.45 175.98 1f22 h ALA 19 N -0.86 -0.66 -0.86 5.00 0.00 -1.76 0.34 119.26 120.46 1f22 h ALA 19 Ca -0.08 0.06 0.08 0.00 0.00 0.00 0.00 54.91 54.97 1f22 h ALA 19 Cb 0.86 1.23 -0.07 0.00 0.00 0.00 0.00 17.79 19.82 1f22 h ALA 19 CO 0.04 -1.01 0.51 0.45 0.00 0.00 0.00 179.25 179.25 1f22 h HIS 20 N -0.21 0.94 0.52 0.00 3.86 -1.54 0.30 115.15 119.02 1f22 h HIS 20 Ca 0.12 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.34 1f22 h HIS 20 Cb 0.51 -0.30 -0.00 0.00 1.06 0.00 0.00 27.41 28.68 1f22 h HIS 20 CO -0.86 0.43 -0.30 0.00 0.86 0.00 0.00 177.93 178.05 1f22 h ALA 21 N 1.44 -0.78 -0.05 2.45 0.00 0.16 0.58 119.26 123.06 1f22 h ALA 21 Ca 0.40 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1f22 h ALA 21 Cb 0.29 0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1f22 h ALA 21 CO -0.22 -0.95 0.01 1.05 0.00 0.00 0.00 179.25 179.14 1f22 h GLU 22 N -0.78 0.08 -0.76 0.00 4.11 -0.42 0.58 114.58 117.39 1f22 h GLU 22 Ca -0.06 -0.02 -0.02 0.00 0.07 0.00 0.00 59.36 59.33 1f22 h GLU 22 Cb 0.63 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.83 1f22 h GLU 22 CO 0.08 0.31 0.41 0.87 0.07 0.00 0.00 179.01 180.74 1f22 h LYS 23 N -0.15 1.07 0.00 1.06 6.56 -0.93 -3.36 116.57 120.82 1f22 h LYS 23 Ca 0.02 -0.13 -0.36 0.00 -1.06 0.00 0.00 60.65 59.11 1f22 h LYS 23 Cb 0.26 -0.21 -0.05 0.00 -0.57 0.00 0.00 32.23 31.66 1f22 h LYS 23 CO 0.00 0.81 -2.18 1.28 -2.06 0.00 0.00 179.45 177.29 1f22 n LEU 24 N -4.43 1.90 0.00 2.94 4.77 0.19 -5.08 117.00 117.29 1f22 n LEU 24 Ca 0.07 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.38 1f22 n LEU 24 Cb 0.10 -0.78 0.00 0.00 -2.33 0.00 0.00 43.42 40.41 1f22 n LEU 24 CO 0.38 0.38 0.00 0.61 -1.33 0.00 0.00 177.39 177.43 1f22 n GLY 25 N 1.35 0.19 0.00 -0.72 0.00 0.20 -4.83 105.19 101.39 1f22 n GLY 25 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.06 -0.19 0.00 5.75 -1.09 -0.48 116.55 120.48 1f22 n ASP 27 Ca 0.00 0.84 0.06 0.00 -0.01 0.00 0.00 54.79 55.68 1f22 n ASP 27 Cb 0.00 -0.30 0.12 0.00 -1.03 0.00 0.00 41.12 39.91 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 -3.42 0.21 0.00 2.12 0.00 -1.26 -3.38 120.51 114.78 1f22 n ALA 28 Ca 0.12 0.60 0.00 0.00 0.00 0.00 0.00 53.44 54.15 1f22 n ALA 28 Cb 0.38 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.43 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 -1.18 0.49 0.00 0.00 3.76 0.37 -5.02 115.29 113.72 1f22 s HIS 30 Ca 0.00 -0.06 -0.03 0.00 -0.15 0.00 0.00 55.06 54.82 1f22 s HIS 30 Cb 0.00 -0.65 -0.01 0.00 1.11 0.00 0.00 32.58 33.03 1f22 s HIS 30 CO 0.00 -0.25 -0.06 -0.85 -0.85 0.00 0.00 174.74 172.73 1f22 n GLU 31 N 4.86 0.10 -1.29 1.40 -0.00 -1.26 -2.66 120.64 121.78 1f22 n GLU 31 Ca -0.12 0.04 -0.31 0.00 -0.00 0.00 0.00 57.16 56.77 1f22 n GLU 31 Cb 0.50 -0.52 -0.07 0.00 -0.00 0.00 0.00 31.44 31.36 1f22 n GLU 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1f22 n GLY 32 N 2.84 3.99 1.08 -1.84 0.00 -1.26 -4.77 105.19 105.23 1f22 n GLY 32 Ca -0.03 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.51 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 3.01 -5.64 -2.18 2.61 -1.04 -1.26 -4.93 114.28 104.84 1f22 n THR 33 Ca 0.66 1.06 -0.42 0.00 -2.04 0.00 0.00 64.05 63.32 1f22 n THR 33 Cb 0.44 -3.29 -0.03 0.00 -1.82 0.00 0.00 70.33 65.62 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 -2.12 4.34 -0.46 -2.82 0.04 -1.26 -4.93 135.00 127.79 1f22 s PRO 34 Ca 0.00 2.07 0.07 0.00 0.04 0.00 0.00 61.00 63.17 1f22 s PRO 34 Cb 0.00 -3.24 0.30 0.00 0.04 0.00 0.00 34.50 31.60 1f22 s PRO 34 CO 0.00 -0.39 1.00 0.00 0.04 0.00 0.00 177.00 177.65 1f22 n ALA 35 N 3.62 -0.63 -0.98 8.56 0.00 -1.26 -5.12 120.51 124.70 1f22 n ALA 35 Ca 0.10 -1.67 0.12 0.00 0.00 0.00 0.00 53.44 51.99 1f22 n ALA 35 Cb 0.42 -1.18 -0.06 0.00 0.00 0.00 0.00 19.45 18.64 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 0.78 -2.20 0.01 0.00 4.76 -1.26 -5.03 118.16 115.22 1f22 n LYS 36 Ca 0.09 1.73 0.00 0.00 -2.87 0.00 0.00 58.31 57.26 1f22 n LYS 36 Cb 0.67 -2.59 0.00 0.00 -1.84 0.00 0.00 35.03 31.27 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 -3.65 0.01 -2.78 -0.18 5.41 -1.26 -5.09 119.36 111.81 1f22 n ILE 37 Ca -0.05 0.00 -0.03 0.00 1.00 0.00 0.00 62.75 63.68 1f22 n ILE 37 Cb 0.46 -0.64 0.01 0.00 -0.71 0.00 0.00 39.64 38.76 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 -2.61 -2.26 -2.10 -1.39 0.00 -1.26 -4.90 120.51 105.99 1f22 n ALA 38 Ca 0.00 0.02 -0.42 0.00 0.00 0.00 0.00 53.44 53.04 1f22 n ALA 38 Cb 0.07 -1.99 -0.03 0.00 0.00 0.00 0.00 19.45 17.50 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 -3.07 3.57 0.59 0.00 1.01 -1.26 -4.96 121.20 117.08 1f22 s ILE 39 Ca 0.08 0.56 -0.01 0.00 0.00 0.00 0.00 60.65 61.28 1f22 s ILE 39 Cb -0.01 -3.84 0.04 0.00 0.01 0.00 0.00 42.46 38.66 1f22 s ILE 39 CO 0.60 -0.58 0.84 -0.62 0.00 0.00 0.00 174.94 175.18 1f22 s ASP 40 N 5.78 5.14 0.26 3.58 2.15 -1.26 -4.75 116.67 127.57 1f22 s ASP 40 Ca 0.73 0.12 -0.12 0.00 0.43 0.00 0.00 52.55 53.71 1f22 s ASP 40 Cb -0.19 -0.93 0.36 0.00 -0.30 0.00 0.00 42.92 41.87 1f22 s ASP 40 CO 0.31 -1.27 1.56 0.50 -0.17 0.00 0.00 175.17 176.10 1f22 h LYS 41 N -0.12 -0.00 0.01 4.34 3.11 -1.97 0.21 116.57 122.14 1f22 h LYS 41 Ca -0.43 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.41 1f22 h LYS 41 Cb 1.30 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.53 1f22 h LYS 41 CO 0.54 -0.00 -0.02 0.87 -2.81 0.00 0.00 179.45 178.03 1f22 h LYS 42 N -0.00 -0.03 -0.01 1.90 1.57 -1.94 -0.40 116.57 117.65 1f22 h LYS 42 Ca 0.42 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 59.24 1f22 h LYS 42 Cb 0.67 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.94 1f22 h LYS 42 CO -0.99 -0.02 -0.30 0.77 -0.57 0.00 0.00 179.45 178.34 1f22 h SER 43 N -0.03 -0.89 -0.55 0.86 0.02 -1.81 -2.27 113.55 108.87 1f22 h SER 43 Ca -0.00 0.12 0.11 0.00 -0.84 0.00 0.00 61.79 61.18 1f22 h SER 43 Cb 0.03 0.36 -0.11 0.00 0.14 0.00 0.00 62.40 62.83 1f22 h SER 43 CO -0.01 -0.36 -0.16 0.00 -1.14 0.00 0.00 176.83 175.16 1f22 h ALA 44 N 0.33 0.33 -0.61 3.77 0.00 -0.61 0.32 119.26 122.79 1f22 h ALA 44 Ca 0.07 0.21 -0.32 0.00 0.00 0.00 0.00 54.91 54.87 1f22 h ALA 44 Cb 0.53 0.46 -0.19 0.00 0.00 0.00 0.00 17.79 18.59 1f22 h ALA 44 CO -0.26 -0.46 0.41 0.72 0.00 0.00 0.00 179.25 179.66 1f22 n HIS 45 N -5.40 1.88 0.00 0.00 8.25 -0.16 -1.06 115.22 118.74 1f22 n HIS 45 Ca 0.06 -1.35 0.00 0.00 -0.26 0.00 0.00 57.72 56.16 1f22 n HIS 45 Cb 0.30 -0.69 0.00 0.00 1.12 0.00 0.00 29.99 30.72 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 -0.49 0.00 -3.27 -0.41 0.00 0.16 -4.97 118.16 109.18 1f22 n LYS 46 Ca 0.37 0.00 -0.25 0.00 0.00 0.00 0.00 58.31 58.43 1f22 n LYS 46 Cb 1.20 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 36.16 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 -0.89 1.51 0.00 3.14 8.00 0.89 -4.60 116.55 124.61 1f22 n ASP 47 Ca 0.00 -2.98 0.00 0.00 0.71 0.00 0.00 54.79 52.52 1f22 n ASP 47 Cb 0.00 -0.65 0.00 0.00 -0.02 0.00 0.00 41.12 40.45 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 1.16 0.00 -0.06 2.24 0.00 -1.04 -4.79 120.51 118.01 1f22 n ALA 48 Ca 0.24 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.61 1f22 n ALA 48 Cb 0.49 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.87 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 -4.68 1.79 0.12 0.00 4.76 -0.22 -3.14 118.16 116.78 1f22 n LYS 50 Ca -0.06 -0.89 0.00 0.00 -2.87 0.00 0.00 58.31 54.49 1f22 n LYS 50 Cb 0.27 -1.94 0.00 0.00 -1.84 0.00 0.00 35.03 31.52 1f22 n LYS 50 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1f22 n THR 51 N 2.54 0.00 0.44 -0.18 -1.04 -1.23 -4.67 114.28 110.12 1f22 n THR 51 Ca 0.38 0.00 -0.17 0.00 -2.04 0.00 0.00 64.05 62.22 1f22 n THR 51 Cb 0.82 -0.34 -0.08 0.00 -1.82 0.00 0.00 70.33 68.91 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 -1.18 0.00 -0.97 0.00 -0.00 -1.84 0.18 115.15 111.35 1f22 h HIS 53 Ca -0.11 0.00 0.07 0.00 -0.00 0.00 0.00 60.37 60.32 1f22 h HIS 53 Cb 0.85 0.00 -0.07 0.00 -0.00 0.00 0.00 27.41 28.20 1f22 h HIS 53 CO 0.03 0.00 0.62 0.87 -0.00 0.00 0.00 177.93 179.44 1f22 h LYS 54 N 0.00 1.08 -2.00 2.45 1.57 -1.84 -2.81 116.57 115.02 1f22 h LYS 54 Ca -0.00 -0.07 -0.13 0.00 -1.87 0.00 0.00 60.65 58.59 1f22 h LYS 54 Cb 0.01 -0.24 -0.05 0.00 0.08 0.00 0.00 32.23 32.02 1f22 h LYS 54 CO 0.00 0.72 -0.23 0.43 -0.57 0.00 0.00 179.45 179.79 1f22 n SER 55 N -4.54 5.31 -3.63 0.86 7.64 0.62 -4.76 113.62 115.12 1f22 n SER 55 Ca 0.15 -2.47 -0.05 0.00 1.01 0.00 0.00 58.87 57.51 1f22 n SER 55 Cb 0.19 -1.31 -0.02 0.00 -1.01 0.00 0.00 64.21 62.06 1f22 n SER 55 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1f22 s ASN 56 N 1.96 -0.23 0.17 6.43 0.01 -1.06 -5.11 114.94 117.12 1f22 s ASN 56 Ca 0.43 -0.18 -0.30 0.00 -0.71 0.00 0.00 52.86 52.09 1f22 s ASN 56 Cb 0.21 0.38 -0.08 0.00 0.41 0.00 0.00 41.25 42.17 1f22 s ASN 56 CO -0.00 -0.66 1.14 0.20 -1.51 0.00 0.00 177.10 176.27 1f22 s ASN 57 N -2.71 7.19 0.00 -1.22 -0.87 -1.26 -4.94 114.94 111.13 1f22 s ASN 57 Ca 0.10 2.13 0.00 0.00 -1.57 0.00 0.00 52.86 53.51 1f22 s ASN 57 Cb -0.00 -2.60 0.00 0.00 -0.02 0.00 0.00 41.25 38.62 1f22 s ASN 57 CO -0.03 -0.29 0.00 0.61 -2.57 0.00 0.00 177.10 174.82 1f22 n GLY 58 N 2.19 -0.54 3.73 0.66 0.00 -1.26 -5.05 105.19 104.91 1f22 n GLY 58 Ca 0.04 -0.79 -0.42 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.88 4.37 0.00 1.61 0.04 -1.26 -4.97 135.00 133.91 1f22 s PRO 59 Ca 0.00 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.08 1f22 s PRO 59 Cb 0.00 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.32 1f22 s PRO 59 CO 0.00 -0.32 0.12 0.25 0.04 0.00 0.00 177.00 177.09 1f22 n THR 60 N 3.19 0.00 0.00 1.26 -2.24 -1.26 -4.87 114.28 110.36 1f22 n THR 60 Ca 0.08 0.45 0.00 0.00 -2.27 0.00 0.00 64.05 62.32 1f22 n THR 60 Cb 0.43 -1.12 0.00 0.00 -2.10 0.00 0.00 70.33 67.54 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 -1.41 0.00 -0.11 -0.78 5.02 -1.26 -5.12 118.16 114.50 1f22 n LYS 61 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1f22 n LYS 61 Cb 0.00 -0.02 0.00 0.00 -0.02 0.00 0.00 35.03 34.99 1f22 n LYS 61 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1f22 n GLY 63 N 3.90 1.75 0.16 0.00 0.00 -1.26 -4.78 105.19 104.96 1f22 n GLY 63 Ca 0.00 -0.14 -0.04 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.05 0.41 -0.02 0.00 -1.26 -3.40 105.19 99.87 1f22 n GLY 64 Ca 0.00 0.46 -0.18 0.00 0.00 0.00 0.00 46.02 46.30 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 -2.32 2.04 -0.58 0.00 4.02 -1.22 -4.15 115.29 113.08 1f22 s HIS 66 Ca -0.24 0.16 -0.28 0.00 1.02 0.00 0.00 55.06 55.71 1f22 s HIS 66 Cb 0.09 -4.28 -0.11 0.00 -1.02 0.00 0.00 32.58 27.25 1f22 s HIS 66 CO 0.32 -1.88 2.45 -0.89 1.02 0.00 0.00 174.74 175.75 1f22 n ILE 67 N 7.42 -0.01 1.83 0.60 2.08 -1.23 -4.44 119.36 125.61 1f22 n ILE 67 Ca 0.34 -0.53 0.15 0.00 0.56 0.00 0.00 62.75 63.27 1f22 n ILE 67 Cb 0.49 -2.10 0.81 0.00 -0.75 0.00 0.00 39.64 38.08 1f22 n ILE 67 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28