#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 -0.32 -4.51 0.00 5.75 -1.26 -4.58 116.55 111.63 1f22 n ASP 2 Ca 0.00 1.63 -0.30 0.00 -0.01 0.00 0.00 54.79 56.11 1f22 n ASP 2 Cb 0.00 -0.50 -0.11 0.00 -1.03 0.00 0.00 41.12 39.47 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 -6.17 3.05 0.15 2.12 0.11 -1.26 0.30 120.40 118.70 1f22 s VAL 3 Ca -0.14 -1.25 0.01 0.00 -2.93 0.00 0.00 61.98 57.67 1f22 s VAL 3 Cb 0.26 -2.36 -0.04 0.00 -1.53 0.00 0.00 36.38 32.70 1f22 s VAL 3 CO 0.74 0.22 0.01 -0.69 -3.33 0.00 0.00 175.10 172.05 1f22 s VAL 4 N -1.07 0.52 0.01 2.04 1.01 -0.42 -4.93 120.40 117.55 1f22 s VAL 4 Ca 0.18 -1.95 0.04 0.00 0.00 0.00 0.00 61.98 60.24 1f22 s VAL 4 Cb -0.11 -2.05 -0.01 0.00 0.00 0.00 0.00 36.38 34.21 1f22 s VAL 4 CO 0.09 -0.52 -0.13 0.28 0.00 0.00 0.00 175.10 174.82 1f22 s THR 5 N -3.76 1.04 -0.57 3.92 -1.32 -1.26 -0.94 115.64 112.75 1f22 s THR 5 Ca 0.23 -0.71 -0.28 0.00 -1.21 0.00 0.00 61.69 59.71 1f22 s THR 5 Cb 0.06 -0.90 0.02 0.00 -1.51 0.00 0.00 72.50 70.18 1f22 s THR 5 CO 0.02 0.18 1.29 -0.31 -2.21 0.00 0.00 174.62 173.59 1f22 s TYR 6 N -0.51 2.47 -1.09 9.09 2.02 0.26 -4.93 117.35 124.65 1f22 s TYR 6 Ca 0.04 0.44 -0.20 0.00 -0.37 0.00 0.00 57.07 56.98 1f22 s TYR 6 Cb -0.06 -4.46 -0.06 0.00 -0.40 0.00 0.00 41.96 36.97 1f22 s TYR 6 CO 0.00 -1.76 1.98 -0.85 -1.57 0.00 0.00 175.55 173.35 1f22 n GLU 7 N 8.53 2.09 -1.61 -0.62 0.28 -1.26 -0.67 120.64 127.38 1f22 n GLU 7 Ca 0.10 -2.35 -0.29 0.00 -0.16 0.00 0.00 57.16 54.46 1f22 n GLU 7 Cb 0.49 -3.25 0.10 0.00 1.43 0.00 0.00 31.44 30.22 1f22 n GLU 7 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 1f22 s ASN 8 N 4.73 4.23 -0.08 -1.84 0.01 -1.26 -4.92 114.94 115.81 1f22 s ASN 8 Ca 0.56 1.12 0.01 0.00 -0.71 0.00 0.00 52.86 53.84 1f22 s ASN 8 Cb 0.10 -1.78 -0.25 0.00 0.41 0.00 0.00 41.25 39.73 1f22 s ASN 8 CO 0.07 -2.12 0.53 0.11 -1.51 0.00 0.00 177.10 174.18 1f22 h LYS 9 N -1.19 0.17 -0.36 -0.60 1.79 -2.01 -3.31 116.57 111.06 1f22 h LYS 9 Ca -0.48 -0.29 -0.05 0.00 -2.18 0.00 0.00 60.65 57.65 1f22 h LYS 9 Cb 1.30 0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 32.03 1f22 h LYS 9 CO 0.61 0.94 0.01 1.57 -1.08 0.00 0.00 179.45 181.50 1f22 h LYS 10 N 0.05 0.55 0.00 3.15 5.09 -1.98 -3.46 116.57 119.97 1f22 h LYS 10 Ca -0.35 -0.12 0.00 0.00 0.09 0.00 0.00 60.65 60.27 1f22 h LYS 10 Cb 2.03 -0.08 0.00 0.00 0.10 0.00 0.00 32.23 34.28 1f22 h LYS 10 CO 0.09 0.57 0.00 0.41 -2.09 0.00 0.00 179.45 178.43 1f22 n GLY 11 N -0.88 1.84 3.69 0.07 0.00 -1.25 -4.99 105.19 103.67 1f22 n GLY 11 Ca 0.02 0.32 -0.42 0.00 0.00 0.00 0.00 46.02 45.94 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 6.44 -0.33 1.61 0.02 -1.25 -4.31 114.94 117.12 1f22 s ASN 12 Ca 0.00 2.74 -0.17 0.00 -1.02 0.00 0.00 52.86 54.41 1f22 s ASN 12 Cb 0.00 -2.57 -0.01 0.00 0.02 0.00 0.00 41.25 38.69 1f22 s ASN 12 CO 0.00 -0.99 0.45 -0.69 0.02 0.00 0.00 177.10 175.89 1f22 s VAL 13 N 2.68 5.08 0.09 1.60 1.01 0.16 -0.62 120.40 130.41 1f22 s VAL 13 Ca 0.80 0.36 -0.18 0.00 0.00 0.00 0.00 61.98 62.96 1f22 s VAL 13 Cb -0.46 -3.87 -0.07 0.00 0.00 0.00 0.00 36.38 31.99 1f22 s VAL 13 CO 0.36 -0.09 0.56 -0.89 0.00 0.00 0.00 175.10 175.04 1f22 s THR 14 N 2.24 4.77 -0.03 3.92 2.01 -0.66 -0.58 115.64 127.32 1f22 s THR 14 Ca 0.17 1.12 0.01 0.00 0.31 0.00 0.00 61.69 63.29 1f22 s THR 14 Cb -0.16 -3.85 0.02 0.00 0.01 0.00 0.00 72.50 68.52 1f22 s THR 14 CO 0.12 0.47 -0.02 0.72 -0.69 0.00 0.00 174.62 175.22 1f22 s PHE 15 N -1.21 0.46 0.39 4.92 -0.71 -0.12 -4.79 117.98 116.92 1f22 s PHE 15 Ca 0.31 -0.07 -0.25 0.00 -1.04 0.00 0.00 56.93 55.88 1f22 s PHE 15 Cb -0.18 -0.45 -0.09 0.00 -1.21 0.00 0.00 43.02 41.09 1f22 s PHE 15 CO 0.19 -0.12 1.11 0.34 -1.34 0.00 0.00 175.22 175.40 1f22 s ASP 16 N 0.76 6.69 0.01 1.98 -1.08 -1.26 -1.31 116.67 122.46 1f22 s ASP 16 Ca -0.09 2.22 -0.04 0.00 -0.52 0.00 0.00 52.55 54.13 1f22 s ASP 16 Cb -0.12 -2.60 -0.02 0.00 -1.46 0.00 0.00 42.92 38.72 1f22 s ASP 16 CO -0.01 -0.55 -0.07 1.57 0.52 0.00 0.00 175.17 176.63 1f22 n HIS 17 N 0.14 0.00 -0.06 -5.34 -0.00 0.15 -4.35 115.22 105.75 1f22 n HIS 17 Ca 0.04 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.68 1f22 n HIS 17 Cb 0.47 -0.14 -0.02 0.00 -0.00 0.00 0.00 29.99 30.31 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 -0.21 0.20 0.17 1.57 3.11 -1.46 0.31 116.57 120.25 1f22 h LYS 18 Ca -0.05 -0.01 0.01 0.00 -2.81 0.00 0.00 60.65 57.79 1f22 h LYS 18 Cb 0.50 -0.04 -0.04 0.00 -1.00 0.00 0.00 32.23 31.65 1f22 h LYS 18 CO -0.03 0.13 -0.49 0.00 -2.81 0.00 0.00 179.45 176.25 1f22 h ALA 19 N 1.15 -0.99 -0.22 5.00 0.00 -1.85 0.98 119.26 123.34 1f22 h ALA 19 Ca 0.11 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1f22 h ALA 19 Cb 0.07 0.84 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1f22 h ALA 19 CO -0.10 -1.10 0.15 0.45 0.00 0.00 0.00 179.25 178.64 1f22 h HIS 20 N -0.74 0.19 0.42 0.00 3.86 -1.70 0.99 115.15 118.17 1f22 h HIS 20 Ca -0.01 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.18 1f22 h HIS 20 Cb 0.72 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 29.13 1f22 h HIS 20 CO -0.41 0.11 -0.20 0.00 0.86 0.00 0.00 177.93 178.29 1f22 h ALA 21 N 1.88 -0.56 -0.08 2.45 0.00 0.17 -2.83 119.26 120.29 1f22 h ALA 21 Ca 0.09 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 1f22 h ALA 21 Cb 0.11 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1f22 h ALA 21 CO -0.02 -0.76 -0.34 1.05 0.00 0.00 0.00 179.25 179.18 1f22 h GLU 22 N -0.67 0.37 -0.16 0.00 4.11 0.07 0.46 114.58 118.77 1f22 h GLU 22 Ca -0.06 -0.29 0.00 0.00 0.07 0.00 0.00 59.36 59.08 1f22 h GLU 22 Cb 0.49 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 1f22 h GLU 22 CO 0.09 0.93 0.10 0.87 0.07 0.00 0.00 179.01 181.08 1f22 h LYS 23 N -0.10 0.21 0.00 1.06 1.79 -0.95 -3.26 116.57 115.32 1f22 h LYS 23 Ca -0.02 -0.01 -0.10 0.00 -2.18 0.00 0.00 60.65 58.34 1f22 h LYS 23 Cb 0.98 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.57 1f22 h LYS 23 CO 0.07 0.14 -0.56 -0.07 -1.08 0.00 0.00 179.45 177.95 1f22 h LEU 24 N 0.21 0.00 0.00 2.94 -0.00 -1.59 -3.50 115.31 113.38 1f22 h LEU 24 Ca 0.06 -0.64 0.00 0.00 -0.00 0.00 0.00 57.88 57.30 1f22 h LEU 24 Cb -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.64 1f22 h LEU 24 CO -0.01 1.15 0.00 0.61 -0.00 0.00 0.00 178.44 180.18 1f22 n GLY 25 N 1.55 1.10 4.96 0.83 0.00 0.15 -4.85 105.19 108.93 1f22 n GLY 25 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 1.97 0.09 -0.22 0.00 5.75 -1.05 -0.79 116.55 122.30 1f22 n ASP 27 Ca 0.00 1.44 0.08 0.00 -0.01 0.00 0.00 54.79 56.30 1f22 n ASP 27 Cb 0.00 -0.61 0.15 0.00 -1.03 0.00 0.00 41.12 39.63 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 -2.82 0.26 0.00 2.12 0.00 -1.26 -3.40 120.51 115.42 1f22 n ALA 28 Ca 0.26 0.68 0.00 0.00 0.00 0.00 0.00 53.44 54.38 1f22 n ALA 28 Cb 0.88 -0.47 0.00 0.00 0.00 0.00 0.00 19.45 19.86 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 -1.54 0.62 -0.10 0.00 3.76 0.01 -5.05 115.29 112.99 1f22 s HIS 30 Ca 0.00 -0.14 -0.18 0.00 -0.15 0.00 0.00 55.06 54.59 1f22 s HIS 30 Cb 0.00 -0.66 -0.15 0.00 1.11 0.00 0.00 32.58 32.88 1f22 s HIS 30 CO 0.00 -0.23 0.60 0.93 -0.85 0.00 0.00 174.74 175.19 1f22 h GLU 31 N 7.65 -0.08 -1.99 1.40 5.08 -1.81 -2.78 114.58 122.04 1f22 h GLU 31 Ca -0.32 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.04 1f22 h GLU 31 Cb 1.14 0.02 -0.21 0.00 0.50 0.00 0.00 28.75 30.19 1f22 h GLU 31 CO 0.39 0.44 0.09 0.20 -1.00 0.00 0.00 179.01 179.12 1f22 s GLY 32 N -3.69 -0.58 -0.77 -3.84 0.00 -1.26 -4.76 107.32 92.43 1f22 s GLY 32 Ca -0.11 2.22 -0.01 0.00 0.00 0.00 0.00 44.72 46.81 1f22 s GLY 32 CO 0.42 2.04 0.72 2.41 0.00 0.00 0.00 173.10 178.69 1f22 n THR 33 N 3.40 -9.95 -1.02 0.90 -1.04 -1.26 -5.01 114.28 100.31 1f22 n THR 33 Ca -0.17 -0.34 -0.29 0.00 -2.04 0.00 0.00 64.05 61.22 1f22 n THR 33 Cb 0.57 -6.81 0.21 0.00 -1.82 0.00 0.00 70.33 62.48 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 -3.17 -0.40 0.00 -2.82 0.04 -1.26 -4.99 135.00 122.40 1f22 s PRO 34 Ca 0.04 0.38 0.00 0.00 0.04 0.00 0.00 61.00 61.47 1f22 s PRO 34 Cb -0.01 -1.65 0.00 0.00 0.04 0.00 0.00 34.50 32.88 1f22 s PRO 34 CO 0.75 -3.26 0.00 0.00 0.04 0.00 0.00 177.00 174.53 1f22 n ALA 35 N -4.52 0.03 0.00 8.56 0.00 -1.26 -5.16 120.51 118.15 1f22 n ALA 35 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1f22 n ALA 35 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 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 -0.82 0.00 0.00 0.00 -0.00 -1.26 -5.17 118.16 110.91 1f22 n LYS 36 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1f22 n LYS 36 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 1f22 n LYS 36 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1f22 n ILE 37 N -1.42 0.00 0.00 0.58 2.08 -1.26 -5.12 119.36 114.21 1f22 n ILE 37 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 1f22 n ILE 37 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.89 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 -3.00 0.00 -2.99 -1.39 0.00 -1.26 -5.11 120.51 106.76 1f22 n ALA 38 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1f22 n ALA 38 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 1f22 n ALA 38 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1f22 n ILE 39 N 0.00 -5.68 -3.63 0.00 2.08 -1.26 -5.04 119.36 105.83 1f22 n ILE 39 Ca 0.00 1.02 -0.23 0.00 0.56 0.00 0.00 62.75 64.09 1f22 n ILE 39 Cb 0.00 -4.35 -0.02 0.00 -0.75 0.00 0.00 39.64 34.52 1f22 n ILE 39 CO 0.00 0.00 0.00 1.51 0.56 0.00 0.00 176.55 178.62 1f22 s ASP 40 N -1.00 6.32 0.28 4.38 1.47 -1.26 -4.85 116.67 122.01 1f22 s ASP 40 Ca -0.03 0.31 -0.07 0.00 1.18 0.00 0.00 52.55 53.94 1f22 s ASP 40 Cb 0.00 -1.97 0.48 0.00 -0.34 0.00 0.00 42.92 41.10 1f22 s ASP 40 CO 0.29 -0.18 1.57 0.07 0.68 0.00 0.00 175.17 177.60 1f22 h LYS 41 N 1.08 0.00 0.00 2.11 2.10 -1.97 0.25 116.57 120.15 1f22 h LYS 41 Ca -0.50 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.15 1f22 h LYS 41 Cb 1.22 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 1f22 h LYS 41 CO 0.62 0.00 0.00 1.63 -2.00 0.00 0.00 179.45 179.70 1f22 n LYS 42 N -5.58 0.00 -0.10 0.07 5.02 -1.26 -0.97 118.16 115.34 1f22 n LYS 42 Ca 0.16 0.47 -0.06 0.00 -2.02 0.00 0.00 58.31 56.87 1f22 n LYS 42 Cb 0.52 -1.27 0.01 0.00 -0.02 0.00 0.00 35.03 34.28 1f22 n LYS 42 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 1f22 h SER 43 N 0.00 -0.14 -0.77 4.39 0.02 -1.64 0.14 113.55 115.54 1f22 h SER 43 Ca 0.00 0.08 0.10 0.00 -0.84 0.00 0.00 61.79 61.13 1f22 h SER 43 Cb 0.00 0.14 -0.12 0.00 0.14 0.00 0.00 62.40 62.56 1f22 h SER 43 CO 0.00 -0.04 -0.49 0.00 -1.14 0.00 0.00 176.83 175.16 1f22 h ALA 44 N 1.30 -0.37 -0.29 3.77 0.00 -0.60 0.44 119.26 123.51 1f22 h ALA 44 Ca 0.17 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1f22 h ALA 44 Cb 0.23 1.13 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1f22 h ALA 44 CO -0.28 -0.87 0.00 0.72 0.00 0.00 0.00 179.25 178.82 1f22 n HIS 45 N -5.36 0.71 0.00 0.00 -0.00 -0.14 -0.44 115.22 109.98 1f22 n HIS 45 Ca 0.03 -0.28 0.00 0.00 -0.00 0.00 0.00 57.72 57.47 1f22 n HIS 45 Cb 0.33 -0.16 0.00 0.00 -0.00 0.00 0.00 29.99 30.16 1f22 n HIS 45 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.34 177.51 1f22 n LYS 46 N 0.37 0.00 -3.01 -0.41 0.00 0.35 -4.87 118.16 110.59 1f22 n LYS 46 Ca 0.12 0.00 -0.15 0.00 0.00 0.00 0.00 58.31 58.27 1f22 n LYS 46 Cb 0.49 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.50 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 -1.60 -1.70 0.11 3.14 8.00 0.14 -4.47 116.55 120.17 1f22 n ASP 47 Ca 0.00 -2.86 0.00 0.00 0.71 0.00 0.00 54.79 52.64 1f22 n ASP 47 Cb 0.00 0.65 0.00 0.00 -0.02 0.00 0.00 41.12 41.75 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 2.13 0.52 -0.06 2.24 0.00 -0.58 -4.77 120.51 119.98 1f22 n ALA 48 Ca 0.19 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.57 1f22 n ALA 48 Cb 0.56 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.99 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 -4.04 3.02 0.00 0.00 4.81 0.41 -2.73 118.16 119.64 1f22 n LYS 50 Ca -0.08 -1.72 0.00 0.00 -0.87 0.00 0.00 58.31 55.63 1f22 n LYS 50 Cb 0.31 -2.48 0.00 0.00 0.02 0.00 0.00 35.03 32.88 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 3.16 0.00 0.11 3.15 5.66 -1.26 -4.53 114.28 120.57 1f22 n THR 51 Ca 0.65 0.00 -0.06 0.00 -3.05 0.00 0.00 64.05 61.59 1f22 n THR 51 Cb 0.50 -0.08 -0.03 0.00 -1.55 0.00 0.00 70.33 69.17 1f22 n THR 51 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1f22 h HIS 53 N -1.09 0.20 -0.67 0.00 3.86 -1.91 0.36 115.15 115.89 1f22 h HIS 53 Ca -0.04 0.01 0.20 0.00 -1.16 0.00 0.00 60.37 59.37 1f22 h HIS 53 Cb 0.30 -0.07 -0.03 0.00 1.06 0.00 0.00 27.41 28.68 1f22 h HIS 53 CO 0.01 0.10 0.64 0.87 0.86 0.00 0.00 177.93 180.40 1f22 h LYS 54 N 0.19 0.00 -0.33 2.45 1.79 -1.72 0.28 116.57 119.23 1f22 h LYS 54 Ca 0.22 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.69 1f22 h LYS 54 Cb 0.63 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.28 1f22 h LYS 54 CO -0.04 0.00 0.00 0.43 -1.08 0.00 0.00 179.45 178.76 1f22 n SER 55 N -3.79 3.61 0.00 0.86 7.64 0.11 -4.56 113.62 117.50 1f22 n SER 55 Ca 0.14 -2.58 0.00 0.00 1.01 0.00 0.00 58.87 57.44 1f22 n SER 55 Cb 0.88 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 1f22 n SER 55 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1f22 n ASN 56 N 0.02 3.79 -3.81 6.43 3.02 0.49 -5.12 115.26 120.09 1f22 n ASN 56 Ca 0.18 0.00 -0.06 0.00 -0.03 0.00 0.00 54.58 54.67 1f22 n ASN 56 Cb 0.72 0.17 -0.02 0.00 -0.61 0.00 0.00 39.78 40.04 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 -3.42 -0.23 0.57 6.41 2.20 0.67 -5.09 114.94 116.05 1f22 s ASN 57 Ca 0.00 -0.55 -0.09 0.00 -0.94 0.00 0.00 52.86 51.28 1f22 s ASN 57 Cb 0.00 0.65 -0.03 0.00 -2.00 0.00 0.00 41.25 39.87 1f22 s ASN 57 CO 0.00 -1.21 0.93 -0.83 -2.94 0.00 0.00 177.10 173.06 1f22 s GLY 58 N -2.93 1.59 0.00 0.45 0.00 -1.26 -4.16 107.32 101.01 1f22 s GLY 58 Ca 0.12 -0.29 0.00 0.00 0.00 0.00 0.00 44.72 44.54 1f22 s GLY 58 CO 0.06 -0.06 0.84 -1.55 0.00 0.00 0.00 173.10 172.39 1f22 n PRO 59 N -2.57 0.78 -0.94 2.90 -0.04 -1.26 -4.80 135.00 129.07 1f22 n PRO 59 Ca 0.04 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.44 1f22 n PRO 59 Cb 0.55 -1.11 -0.02 0.00 -0.04 0.00 0.00 33.50 32.87 1f22 n PRO 59 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1f22 n THR 60 N 0.68 0.00 -3.58 0.52 -2.24 -1.26 -0.76 114.28 107.64 1f22 n THR 60 Ca 0.00 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.56 1f22 n THR 60 Cb 0.39 -0.85 0.07 0.00 -2.10 0.00 0.00 70.33 67.85 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 -0.55 -6.88 0.00 -0.78 4.01 -1.26 -4.47 118.16 108.23 1f22 n LYS 61 Ca -0.06 0.79 0.00 0.00 -0.51 0.00 0.00 58.31 58.53 1f22 n LYS 61 Cb 0.34 -5.76 0.00 0.00 -0.51 0.00 0.00 35.03 29.10 1f22 n LYS 61 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1f22 n GLY 63 N 0.00 1.55 0.27 0.00 0.00 -1.26 -4.74 105.19 101.01 1f22 n GLY 63 Ca 0.00 -0.05 0.03 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.31 0.77 -0.02 0.00 -1.26 -3.69 105.19 99.67 1f22 n GLY 64 Ca 0.00 0.79 -0.08 0.00 0.00 0.00 0.00 46.02 46.73 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 -2.15 2.17 -1.55 0.00 3.76 -1.24 -1.65 115.29 114.64 1f22 s HIS 66 Ca -0.10 0.56 -0.10 0.00 -0.15 0.00 0.00 55.06 55.27 1f22 s HIS 66 Cb 0.04 -3.95 -0.03 0.00 1.11 0.00 0.00 32.58 29.75 1f22 s HIS 66 CO 0.13 -2.86 2.74 -0.89 -0.85 0.00 0.00 174.74 173.01 1f22 n ILE 67 N 6.27 4.33 -0.15 0.60 2.08 0.21 -4.45 119.36 128.26 1f22 n ILE 67 Ca 0.18 -2.95 0.00 0.00 0.56 0.00 0.00 62.75 60.54 1f22 n ILE 67 Cb 0.45 -2.53 0.00 0.00 -0.75 0.00 0.00 39.64 36.81 1f22 n ILE 67 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28