#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 0.54 -3.55 0.00 2.03 -1.98 -3.41 116.42 110.05 1f22 h ASP 2 Ca 0.00 -0.21 -0.67 0.00 -0.73 0.00 0.00 57.03 55.41 1f22 h ASP 2 Cb 0.00 -0.15 -0.20 0.00 -0.83 0.00 0.00 39.33 38.15 1f22 h ASP 2 CO 0.00 0.84 -0.83 0.54 -1.03 0.00 0.00 179.24 178.76 1f22 s VAL 3 N -4.36 2.42 0.30 4.15 0.11 -1.26 -0.09 120.40 121.66 1f22 s VAL 3 Ca -0.07 -1.83 0.03 0.00 -2.93 0.00 0.00 61.98 57.18 1f22 s VAL 3 Cb 0.13 -2.12 -0.06 0.00 -1.53 0.00 0.00 36.38 32.80 1f22 s VAL 3 CO 0.81 -0.00 0.07 -0.69 -3.33 0.00 0.00 175.10 171.96 1f22 s VAL 4 N -1.35 0.93 0.04 2.04 1.01 -0.78 -4.87 120.40 117.42 1f22 s VAL 4 Ca 0.18 -2.00 0.02 0.00 0.00 0.00 0.00 61.98 60.17 1f22 s VAL 4 Cb -0.09 -2.73 -0.02 0.00 0.00 0.00 0.00 36.38 33.54 1f22 s VAL 4 CO 0.09 -0.01 -0.06 0.28 0.00 0.00 0.00 175.10 175.40 1f22 s THR 5 N -3.48 0.43 -0.50 3.92 -1.32 -1.26 -2.89 115.64 110.53 1f22 s THR 5 Ca 0.37 -1.09 -0.23 0.00 -1.21 0.00 0.00 61.69 59.53 1f22 s THR 5 Cb 0.08 -0.58 0.04 0.00 -1.51 0.00 0.00 72.50 70.53 1f22 s THR 5 CO 0.15 -0.45 0.81 -0.31 -2.21 0.00 0.00 174.62 172.61 1f22 s TYR 6 N -1.56 2.92 -1.30 9.09 2.02 -1.05 -4.94 117.35 122.54 1f22 s TYR 6 Ca -0.10 -0.04 -0.18 0.00 -0.37 0.00 0.00 57.07 56.38 1f22 s TYR 6 Cb -0.09 -3.80 0.04 0.00 -0.40 0.00 0.00 41.96 37.71 1f22 s TYR 6 CO -0.00 -1.14 1.88 -0.85 -1.57 0.00 0.00 175.55 173.87 1f22 n GLU 7 N 6.91 2.88 -3.49 -0.62 0.00 -1.26 -1.11 120.64 123.95 1f22 n GLU 7 Ca 0.00 -2.97 -0.32 0.00 0.00 0.00 0.00 57.16 53.87 1f22 n GLU 7 Cb 0.47 -3.45 -0.05 0.00 0.00 0.00 0.00 31.44 28.41 1f22 n GLU 7 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.13 176.33 1f22 s ASN 8 N 4.25 6.61 0.51 -1.84 0.01 -1.26 -4.92 114.94 118.29 1f22 s ASN 8 Ca 0.54 0.84 0.24 0.00 -0.71 0.00 0.00 52.86 53.77 1f22 s ASN 8 Cb 0.06 -2.19 1.35 0.00 0.41 0.00 0.00 41.25 40.88 1f22 s ASN 8 CO 0.05 -0.01 2.06 0.50 -1.51 0.00 0.00 177.10 178.19 1f22 h LYS 9 N 2.78 0.00 -0.25 -0.60 1.63 -2.03 -0.92 116.57 117.19 1f22 h LYS 9 Ca -0.47 0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 59.26 1f22 h LYS 9 Cb 1.17 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.79 1f22 h LYS 9 CO 0.70 0.13 -0.15 0.87 -3.45 0.00 0.00 179.45 177.54 1f22 h LYS 10 N 0.00 0.42 0.00 1.90 1.79 -1.98 -3.48 116.57 115.22 1f22 h LYS 10 Ca -0.00 -0.12 0.00 0.00 -2.18 0.00 0.00 60.65 58.35 1f22 h LYS 10 Cb 0.31 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.91 1f22 h LYS 10 CO 0.02 0.57 0.00 0.41 -1.08 0.00 0.00 179.45 179.37 1f22 n GLY 11 N -0.64 3.88 3.65 3.86 0.00 -0.35 -4.43 105.19 111.17 1f22 n GLY 11 Ca 0.00 -0.50 -0.43 0.00 0.00 0.00 0.00 46.02 45.10 1f22 n GLY 11 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1f22 s ASN 12 N 0.00 6.76 -0.65 1.61 0.02 -1.23 -4.19 114.94 117.26 1f22 s ASN 12 Ca 0.00 1.84 -0.25 0.00 -1.02 0.00 0.00 52.86 53.43 1f22 s ASN 12 Cb 0.00 -2.54 0.05 0.00 0.02 0.00 0.00 41.25 38.78 1f22 s ASN 12 CO 0.00 -0.90 1.07 -0.69 0.02 0.00 0.00 177.10 176.59 1f22 s VAL 13 N 3.96 4.14 -0.96 1.60 1.01 -0.27 -4.39 120.40 125.50 1f22 s VAL 13 Ca 0.63 0.09 -0.07 0.00 0.00 0.00 0.00 61.98 62.63 1f22 s VAL 13 Cb -0.26 -4.72 -0.09 0.00 0.00 0.00 0.00 36.38 31.30 1f22 s VAL 13 CO 0.22 -1.49 3.06 1.07 0.00 0.00 0.00 175.10 177.96 1f22 n THR 14 N 6.17 3.96 -2.07 3.92 5.66 -1.26 -2.52 114.28 128.14 1f22 n THR 14 Ca 0.00 -2.58 -0.42 0.00 -3.05 0.00 0.00 64.05 58.00 1f22 n THR 14 Cb 0.47 -2.23 -0.03 0.00 -1.55 0.00 0.00 70.33 66.99 1f22 n THR 14 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 1f22 s PHE 15 N 0.86 2.58 0.66 1.09 -0.71 -1.14 -4.85 117.98 116.47 1f22 s PHE 15 Ca 0.65 0.54 -0.17 0.00 -1.04 0.00 0.00 56.93 56.91 1f22 s PHE 15 Cb 0.25 -3.82 0.00 0.00 -1.21 0.00 0.00 43.02 38.23 1f22 s PHE 15 CO -0.07 -3.22 1.22 -0.51 -1.34 0.00 0.00 175.22 171.30 1f22 s ASP 16 N 2.25 4.68 0.05 1.98 1.11 -1.26 -1.87 116.67 123.60 1f22 s ASP 16 Ca 0.69 2.40 -0.02 0.00 0.18 0.00 0.00 52.55 55.79 1f22 s ASP 16 Cb -0.35 -2.60 -0.01 0.00 1.07 0.00 0.00 42.92 41.03 1f22 s ASP 16 CO 0.29 -1.94 -0.04 1.57 1.18 0.00 0.00 175.17 176.23 1f22 n HIS 17 N -2.15 0.00 0.02 4.23 -0.00 0.87 -4.45 115.22 113.74 1f22 n HIS 17 Ca 0.14 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.76 1f22 n HIS 17 Cb 0.50 -0.06 -0.04 0.00 -0.00 0.00 0.00 29.99 30.38 1f22 n HIS 17 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.34 176.12 1f22 h LYS 18 N -0.13 -0.15 -0.28 1.57 3.64 -0.96 -0.12 116.57 120.14 1f22 h LYS 18 Ca 0.00 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.45 1f22 h LYS 18 Cb 0.13 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 31.92 1f22 h LYS 18 CO 0.00 -0.10 -0.10 0.00 -2.27 0.00 0.00 179.45 176.99 1f22 h ALA 19 N 0.88 0.15 0.00 5.00 0.00 -1.87 0.25 119.26 123.68 1f22 h ALA 19 Ca 0.06 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1f22 h ALA 19 Cb 0.24 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1f22 h ALA 19 CO -0.16 -0.49 0.00 0.45 0.00 0.00 0.00 179.25 179.05 1f22 h HIS 20 N -0.04 0.00 0.00 0.00 3.86 -1.69 -2.01 115.15 115.28 1f22 h HIS 20 Ca 0.14 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.22 1f22 h HIS 20 Cb 0.25 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.70 1f22 h HIS 20 CO -0.30 0.00 -0.75 0.00 0.86 0.00 0.00 177.93 177.74 1f22 h ALA 21 N 2.01 0.15 -0.28 2.45 0.00 0.13 -3.29 119.26 120.42 1f22 h ALA 21 Ca 0.00 -0.87 -0.06 0.00 0.00 0.00 0.00 54.91 53.98 1f22 h ALA 21 Cb 0.08 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1f22 h ALA 21 CO 0.00 0.44 -0.05 1.05 0.00 0.00 0.00 179.25 180.69 1f22 h GLU 22 N -1.00 0.53 -0.54 0.00 -0.00 -0.58 0.82 114.58 113.82 1f22 h GLU 22 Ca -0.19 -0.20 0.04 0.00 -0.00 0.00 0.00 59.36 59.01 1f22 h GLU 22 Cb 1.06 -0.03 -0.04 0.00 -0.00 0.00 0.00 28.75 29.74 1f22 h GLU 22 CO -0.12 0.72 0.29 0.87 -0.00 0.00 0.00 179.01 180.77 1f22 h LYS 23 N 0.29 0.54 0.00 1.06 1.79 -1.58 -3.35 116.57 115.32 1f22 h LYS 23 Ca 0.07 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 1f22 h LYS 23 Cb 0.52 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.05 1f22 h LYS 23 CO 0.02 0.36 -0.26 -0.07 -1.08 0.00 0.00 179.45 178.42 1f22 h LEU 24 N 0.56 0.00 0.00 2.94 -0.00 -1.60 -3.51 115.31 113.70 1f22 h LEU 24 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.11 1f22 h LEU 24 Cb 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.77 1f22 h LEU 24 CO -0.14 0.40 0.00 0.61 -0.00 0.00 0.00 178.44 179.31 1f22 n GLY 25 N 1.69 -0.77 0.00 0.83 0.00 0.28 -4.96 105.19 102.26 1f22 n GLY 25 Ca -0.04 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 -0.11 -0.39 0.00 5.75 -1.16 -0.57 116.55 120.07 1f22 n ASP 27 Ca 0.00 0.76 0.32 0.00 -0.01 0.00 0.00 54.79 55.85 1f22 n ASP 27 Cb 0.00 -0.25 0.59 0.00 -1.03 0.00 0.00 41.12 40.43 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 0.88 2.45 0.00 2.12 0.00 -1.92 -3.22 119.26 119.57 1f22 h ALA 28 Ca 0.24 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1f22 h ALA 28 Cb 0.43 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1f22 h ALA 28 CO -0.44 -1.05 -0.79 0.00 0.00 0.00 0.00 179.25 176.97 1f22 s HIS 30 N -1.79 2.21 0.00 0.00 3.76 0.27 -5.04 115.29 114.70 1f22 s HIS 30 Ca 0.00 -1.40 0.00 0.00 -0.15 0.00 0.00 55.06 53.51 1f22 s HIS 30 Cb 0.00 -1.56 0.00 0.00 1.11 0.00 0.00 32.58 32.13 1f22 s HIS 30 CO 0.00 -0.70 0.03 0.39 -0.85 0.00 0.00 174.74 173.61 1f22 n GLU 31 N 4.74 0.00 0.00 1.40 1.02 -1.26 -2.97 120.64 123.57 1f22 n GLU 31 Ca -0.15 0.37 0.00 0.00 -0.02 0.00 0.00 57.16 57.36 1f22 n GLU 31 Cb 0.48 -0.89 0.00 0.00 -0.02 0.00 0.00 31.44 31.01 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 2.02 1.31 2.89 0.62 0.00 -1.26 -4.86 105.19 105.91 1f22 n GLY 32 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1f22 n GLY 32 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1f22 s THR 33 N 0.00 0.86 0.16 2.61 2.01 -1.26 -5.13 115.64 114.90 1f22 s THR 33 Ca 0.00 -0.20 -0.30 0.00 0.31 0.00 0.00 61.69 61.50 1f22 s THR 33 Cb 0.00 -0.90 -0.07 0.00 0.01 0.00 0.00 72.50 71.54 1f22 s THR 33 CO 0.00 0.33 1.13 -2.16 -0.69 0.00 0.00 174.62 173.24 1f22 s PRO 34 N 1.62 4.55 -0.40 4.92 0.04 -1.26 -4.94 135.00 139.52 1f22 s PRO 34 Ca 0.02 1.76 0.10 0.00 0.04 0.00 0.00 61.00 62.91 1f22 s PRO 34 Cb -0.13 -3.28 0.38 0.00 0.04 0.00 0.00 34.50 31.51 1f22 s PRO 34 CO -0.06 -0.00 1.19 0.00 0.04 0.00 0.00 177.00 178.17 1f22 n ALA 35 N 2.59 1.06 -1.23 8.56 0.00 -1.26 -5.10 120.51 125.13 1f22 n ALA 35 Ca 0.04 -1.77 0.00 0.00 0.00 0.00 0.00 53.44 51.71 1f22 n ALA 35 Cb 0.46 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.88 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 -0.19 -3.27 -0.09 0.00 5.02 -1.26 -4.98 118.16 113.39 1f22 n LYS 36 Ca 0.03 2.53 -0.12 0.00 -2.02 0.00 0.00 58.31 58.73 1f22 n LYS 36 Cb 0.79 -3.12 -0.08 0.00 -0.02 0.00 0.00 35.03 32.59 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 -2.21 1.01 -2.85 -0.18 5.41 -1.26 -5.07 119.36 114.21 1f22 n ILE 37 Ca 0.00 -0.40 -0.09 0.00 1.00 0.00 0.00 62.75 63.26 1f22 n ILE 37 Cb 0.34 -1.09 0.04 0.00 -0.71 0.00 0.00 39.64 38.22 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 -2.98 -2.11 -2.52 -1.39 0.00 -1.26 -4.94 120.51 105.31 1f22 n ALA 38 Ca -0.31 0.09 -0.43 0.00 0.00 0.00 0.00 53.44 52.79 1f22 n ALA 38 Cb 0.84 -4.00 -0.02 0.00 0.00 0.00 0.00 19.45 16.27 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 -3.25 4.12 0.27 0.00 -1.09 -1.26 -4.97 121.20 115.03 1f22 s ILE 39 Ca 0.29 1.14 0.00 0.00 -2.23 0.00 0.00 60.65 59.85 1f22 s ILE 39 Cb -0.04 -4.48 -0.00 0.00 -1.58 0.00 0.00 42.46 36.36 1f22 s ILE 39 CO 0.58 -0.92 0.01 -0.90 -1.23 0.00 0.00 174.94 172.48 1f22 n ASP 40 N 8.13 2.65 -3.60 3.58 5.75 -1.26 -4.72 116.55 127.08 1f22 n ASP 40 Ca 0.13 -2.21 -0.48 0.00 -0.01 0.00 0.00 54.79 52.22 1f22 n ASP 40 Cb 0.49 0.22 -0.07 0.00 -1.03 0.00 0.00 41.12 40.73 1f22 n ASP 40 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 1f22 n LYS 41 N -0.68 0.00 0.00 0.11 2.85 -1.26 -0.34 118.16 118.84 1f22 n LYS 41 Ca -0.11 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.15 1f22 n LYS 41 Cb 0.35 -1.19 0.00 0.00 -0.65 0.00 0.00 35.03 33.54 1f22 n LYS 41 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1f22 n LYS 42 N 1.61 0.00 0.12 -1.58 4.81 -1.26 -4.72 118.16 117.15 1f22 n LYS 42 Ca 0.18 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.48 1f22 n LYS 42 Cb 0.04 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.03 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 -0.90 -0.37 3.14 0.02 -1.35 0.27 113.55 114.37 1f22 h SER 43 Ca 0.00 0.10 0.05 0.00 -0.84 0.00 0.00 61.79 61.10 1f22 h SER 43 Cb 0.00 0.34 -0.08 0.00 0.14 0.00 0.00 62.40 62.80 1f22 h SER 43 CO 0.00 -0.40 -0.53 0.00 -1.14 0.00 0.00 176.83 174.76 1f22 h ALA 44 N 0.11 -0.72 0.00 3.77 0.00 -0.97 -1.88 119.26 119.58 1f22 h ALA 44 Ca 0.03 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1f22 h ALA 44 Cb 0.57 1.06 0.00 0.00 0.00 0.00 0.00 17.79 19.41 1f22 h ALA 44 CO -0.18 -1.02 0.00 0.45 0.00 0.00 0.00 179.25 178.51 1f22 h HIS 45 N -0.41 0.00 -0.95 0.00 -0.00 -1.59 0.63 115.15 112.82 1f22 h HIS 45 Ca 0.08 0.00 0.07 0.00 -0.00 0.00 0.00 60.37 60.52 1f22 h HIS 45 Cb 0.61 0.00 -0.21 0.00 -0.00 0.00 0.00 27.41 27.81 1f22 h HIS 45 CO -0.68 0.00 -0.31 0.21 -0.00 0.00 0.00 177.93 177.15 1f22 s LYS 46 N -3.68 0.54 0.00 2.45 2.36 0.88 -4.50 119.74 117.78 1f22 s LYS 46 Ca 0.01 0.71 0.00 0.00 -2.55 0.00 0.00 55.97 54.13 1f22 s LYS 46 Cb 0.09 0.36 0.00 0.00 -1.05 0.00 0.00 37.83 37.24 1f22 s LYS 46 CO 0.51 -0.83 0.00 -3.47 1.55 0.00 0.00 175.35 173.11 1f22 n ASP 47 N 5.41 0.00 0.04 1.43 2.03 -0.95 -4.28 116.55 120.24 1f22 n ASP 47 Ca 0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.33 1f22 n ASP 47 Cb 0.53 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.93 1f22 n ASP 47 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1f22 n ALA 48 N -0.75 1.22 -0.08 -1.67 0.00 -0.76 -4.89 120.51 113.57 1f22 n ALA 48 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 1f22 n ALA 48 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 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 -4.52 3.67 0.03 0.00 4.81 0.07 -3.12 118.16 119.09 1f22 n LYS 50 Ca -0.13 -2.25 0.00 0.00 -0.87 0.00 0.00 58.31 55.06 1f22 n LYS 50 Cb 0.43 -2.83 0.00 0.00 0.02 0.00 0.00 35.03 32.65 1f22 n LYS 50 CO 0.00 0.00 0.00 -2.37 1.17 0.00 0.00 177.40 176.20 1f22 n THR 51 N 3.64 0.00 0.37 3.15 5.66 -1.26 -4.48 114.28 121.35 1f22 n THR 51 Ca 0.77 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 61.61 1f22 n THR 51 Cb 0.24 -0.24 -0.08 0.00 -1.55 0.00 0.00 70.33 68.70 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 -5.43 3.15 0.07 0.00 8.25 -1.24 -4.17 115.22 115.84 1f22 n HIS 53 Ca -0.13 -1.89 0.00 0.00 -0.26 0.00 0.00 57.72 55.44 1f22 n HIS 53 Cb 0.39 -2.53 0.00 0.00 1.12 0.00 0.00 29.99 28.97 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 8.09 0.00 0.18 -0.41 4.76 -1.19 -4.54 118.16 125.05 1f22 n LYS 54 Ca 0.47 0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.76 1f22 n LYS 54 Cb 0.45 -0.34 -0.08 0.00 -1.84 0.00 0.00 35.03 33.22 1f22 n LYS 54 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1f22 h SER 55 N 0.00 -0.36 -0.76 4.39 4.64 -1.91 -3.19 113.55 116.35 1f22 h SER 55 Ca 0.00 -0.06 0.17 0.00 -0.47 0.00 0.00 61.79 61.43 1f22 h SER 55 Cb 0.00 0.09 -0.14 0.00 -0.31 0.00 0.00 62.40 62.05 1f22 h SER 55 CO 0.00 -0.16 -0.03 0.78 -0.87 0.00 0.00 176.83 176.55 1f22 h ASN 56 N -0.54 -0.42 -4.68 4.97 2.35 -1.88 -3.44 115.58 111.93 1f22 h ASN 56 Ca -0.04 0.20 0.04 0.00 -0.55 0.00 0.00 56.30 55.95 1f22 h ASN 56 Cb 0.40 0.37 -0.17 0.00 0.05 0.00 0.00 38.32 38.98 1f22 h ASN 56 CO 0.07 -0.20 0.38 0.54 -1.65 0.00 0.00 177.43 176.57 1f22 s ASN 57 N -5.19 -0.47 -0.63 5.81 4.22 -1.20 -5.13 114.94 112.35 1f22 s ASN 57 Ca -0.14 0.22 -0.02 0.00 -2.14 0.00 0.00 52.86 50.78 1f22 s ASN 57 Cb 0.22 0.45 0.16 0.00 1.28 0.00 0.00 41.25 43.36 1f22 s ASN 57 CO 0.75 -0.64 0.44 -0.83 -2.04 0.00 0.00 177.10 174.78 1f22 s GLY 58 N -2.02 2.52 0.99 0.45 0.00 -1.26 -3.17 107.32 104.84 1f22 s GLY 58 Ca -0.00 -3.28 -0.14 0.00 0.00 0.00 0.00 44.72 41.30 1f22 s GLY 58 CO -0.04 1.10 1.13 2.56 0.00 0.00 0.00 173.10 177.85 1f22 s PRO 59 N -0.12 0.51 0.13 2.90 0.04 -1.26 -4.99 135.00 132.20 1f22 s PRO 59 Ca 0.17 0.26 0.00 0.00 0.04 0.00 0.00 61.00 61.47 1f22 s PRO 59 Cb -0.20 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.57 1f22 s PRO 59 CO -0.03 -2.62 0.00 -2.37 0.04 0.00 0.00 177.00 172.02 1f22 n THR 60 N -4.05 0.00 0.00 1.26 5.66 -1.26 -5.08 114.28 110.81 1f22 n THR 60 Ca 0.07 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.07 1f22 n THR 60 Cb 0.59 -0.15 0.00 0.00 -1.55 0.00 0.00 70.33 69.21 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 -2.80 0.00 0.00 1.09 5.02 -1.26 -5.18 118.16 115.03 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 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 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 2.73 1.81 0.25 0.00 0.00 -1.26 -4.76 105.19 103.95 1f22 n GLY 63 Ca 0.00 -0.23 0.11 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.95 0.70 -0.02 0.00 -1.26 -3.63 105.19 100.02 1f22 n GLY 64 Ca 0.00 0.69 0.00 0.00 0.00 0.00 0.00 46.02 46.71 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 -1.96 2.18 -1.06 0.00 4.02 -1.24 -4.32 115.29 112.91 1f22 s HIS 66 Ca 0.00 0.20 -0.23 0.00 1.02 0.00 0.00 55.06 56.05 1f22 s HIS 66 Cb 0.00 -4.49 -0.03 0.00 -1.02 0.00 0.00 32.58 27.04 1f22 s HIS 66 CO 0.00 -2.08 1.84 0.42 1.02 0.00 0.00 174.74 175.94 1f22 s ILE 67 N 6.37 3.63 0.00 0.60 1.09 -1.26 -4.33 121.20 127.30 1f22 s ILE 67 Ca 0.44 -0.79 0.00 0.00 -1.10 0.00 0.00 60.65 59.20 1f22 s ILE 67 Cb -0.09 -4.50 0.00 0.00 -1.06 0.00 0.00 42.46 36.81 1f22 s ILE 67 CO 0.18 -1.25 0.00 1.17 -0.10 0.00 0.00 174.94 174.94