#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u97 s THR 2 N 0.00 0.31 0.00 2.03 -1.32 -1.26 -5.08 115.64 110.31 1u97 s THR 2 Ca 0.00 -1.03 0.00 0.00 -1.21 0.00 0.00 61.69 59.45 1u97 s THR 2 Cb 0.00 -0.47 0.00 0.00 -1.51 0.00 0.00 72.50 70.52 1u97 s THR 2 CO 0.00 -0.47 0.00 1.21 -2.21 0.00 0.00 174.62 173.15 1u97 n GLU 3 N 1.46 0.00 -2.92 7.08 4.07 -1.26 -5.12 120.64 123.96 1u97 n GLU 3 Ca -0.23 0.00 -0.01 0.00 -0.06 0.00 0.00 57.16 56.86 1u97 n GLU 3 Cb 0.55 0.00 -0.01 0.00 -0.06 0.00 0.00 31.44 31.92 1u97 n GLU 3 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 1u97 n THR 4 N -1.93 -6.47 -2.33 6.31 -2.24 -1.26 -4.70 114.28 101.66 1u97 n THR 4 Ca 0.00 1.20 -0.03 0.00 -2.27 0.00 0.00 64.05 62.95 1u97 n THR 4 Cb 0.00 -4.54 -0.02 0.00 -2.10 0.00 0.00 70.33 63.67 1u97 n THR 4 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1u97 n ASP 5 N 1.65 -4.33 -4.63 3.42 8.00 -1.26 -4.84 116.55 114.56 1u97 n ASP 5 Ca -0.11 1.40 -0.43 0.00 0.71 0.00 0.00 54.79 56.36 1u97 n ASP 5 Cb 0.29 -4.73 -0.02 0.00 -0.02 0.00 0.00 41.12 36.64 1u97 n ASP 5 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1u97 s LYS 6 N -0.75 3.80 -0.16 -1.24 1.02 -1.26 -4.98 119.74 116.17 1u97 s LYS 6 Ca -0.14 1.60 -0.02 0.00 0.02 0.00 0.00 55.97 57.43 1u97 s LYS 6 Cb 0.01 -4.02 0.05 0.00 -0.52 0.00 0.00 37.83 33.35 1u97 s LYS 6 CO 0.37 -1.28 0.00 0.21 -0.92 0.00 0.00 175.35 173.73 1u97 s LYS 7 N 4.62 0.87 0.28 1.68 2.36 -1.26 -5.14 119.74 123.15 1u97 s LYS 7 Ca 0.69 -0.32 -0.12 0.00 -2.55 0.00 0.00 55.97 53.67 1u97 s LYS 7 Cb -0.24 -1.81 -0.08 0.00 -1.05 0.00 0.00 37.83 34.66 1u97 s LYS 7 CO 0.28 -0.50 0.64 1.14 1.55 0.00 0.00 175.35 178.47 1u97 s GLN 8 N 1.82 3.88 -0.22 4.03 -2.07 -1.26 -5.08 119.66 120.76 1u97 s GLN 8 Ca 0.01 0.44 -0.04 0.00 -1.82 0.00 0.00 55.36 53.95 1u97 s GLN 8 Cb -0.15 -2.54 0.09 0.00 -1.09 0.00 0.00 33.01 29.32 1u97 s GLN 8 CO -0.07 0.22 0.17 -2.00 -1.32 0.00 0.00 175.29 172.29 1u97 s GLU 9 N -3.00 0.17 0.46 9.60 2.12 -1.26 -5.15 118.70 121.64 1u97 s GLU 9 Ca 0.50 -0.06 0.08 0.00 0.36 0.00 0.00 54.97 55.86 1u97 s GLU 9 Cb -0.11 -1.32 0.02 0.00 0.26 0.00 0.00 34.13 32.99 1u97 s GLU 9 CO 0.21 -0.78 0.58 -0.65 -0.54 0.00 0.00 175.26 174.09 1u97 s GLN 10 N 2.23 2.65 1.85 4.30 -0.21 -1.26 -4.84 119.66 124.39 1u97 s GLN 10 Ca 0.06 -1.40 0.00 0.00 0.02 0.00 0.00 55.36 54.04 1u97 s GLN 10 Cb -0.16 -2.65 0.00 0.00 1.00 0.00 0.00 33.01 31.20 1u97 s GLN 10 CO -0.18 -0.40 0.00 0.39 -2.12 0.00 0.00 175.29 172.97 1u97 n GLU 11 N -1.89 0.00 -1.32 2.91 1.02 -1.26 -4.91 120.64 115.19 1u97 n GLU 11 Ca 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 1u97 n GLU 11 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.02 1u97 n GLU 11 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1u97 n ASN 12 N 2.85 -7.23 -4.77 1.62 5.15 -1.26 -4.97 115.26 106.65 1u97 n ASN 12 Ca 0.00 1.27 -0.33 0.00 -0.60 0.00 0.00 54.58 54.92 1u97 n ASN 12 Cb 0.00 -3.95 -0.07 0.00 -0.53 0.00 0.00 39.78 35.23 1u97 n ASN 12 CO 0.00 0.00 0.00 -1.38 1.40 0.00 0.00 177.26 177.28 1u97 s HIS 13 N -4.07 3.26 0.26 1.20 -3.43 -1.26 -5.11 115.29 106.13 1u97 s HIS 13 Ca 0.00 0.19 0.04 0.00 -0.80 0.00 0.00 55.06 54.49 1u97 s HIS 13 Cb 0.00 -1.73 -0.01 0.00 -1.43 0.00 0.00 32.58 29.41 1u97 s HIS 13 CO 0.00 0.54 0.26 0.00 -2.00 0.00 0.00 174.74 173.55 1u97 n ALA 14 N 1.20 0.30 -0.41 -1.38 0.00 -1.26 -5.06 120.51 113.89 1u97 n ALA 14 Ca -0.13 -1.40 0.00 0.00 0.00 0.00 0.00 53.44 51.90 1u97 n ALA 14 Cb 0.53 1.14 0.00 0.00 0.00 0.00 0.00 19.45 21.11 1u97 n ALA 14 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1u97 n GLU 15 N -0.47 0.69 -2.59 0.00 1.02 -1.26 -5.09 120.64 112.95 1u97 n GLU 15 Ca 0.04 -0.73 -0.06 0.00 -0.02 0.00 0.00 57.16 56.40 1u97 n GLU 15 Cb 0.46 -0.80 -0.05 0.00 -0.02 0.00 0.00 31.44 31.03 1u97 n GLU 15 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1u97 n GLU 17 N 1.74 0.00 0.00 0.00 4.07 -1.26 -4.98 120.64 120.22 1u97 n GLU 17 Ca -0.41 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.69 1u97 n GLU 17 Cb 0.63 -0.02 0.00 0.00 -0.06 0.00 0.00 31.44 31.99 1u97 n GLU 17 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 1u97 n ASP 18 N -2.36 0.00 -4.78 4.31 8.00 -1.26 -5.09 116.55 115.37 1u97 n ASP 18 Ca 0.00 -0.31 -0.37 0.00 0.71 0.00 0.00 54.79 54.82 1u97 n ASP 18 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.03 1u97 n ASP 18 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1u97 s LYS 19 N 0.00 4.06 1.05 -1.24 2.20 -1.26 -5.09 119.74 119.45 1u97 s LYS 19 Ca 0.00 0.18 -0.18 0.00 -0.36 0.00 0.00 55.97 55.62 1u97 s LYS 19 Cb 0.00 -3.34 0.25 0.00 -1.51 0.00 0.00 37.83 33.23 1u97 s LYS 19 CO 0.00 0.43 1.20 -0.35 -0.36 0.00 0.00 175.35 176.26 1u97 n PRO 20 N 2.90 -1.99 -3.69 4.03 -0.04 -1.26 -4.82 135.00 130.12 1u97 n PRO 20 Ca -0.13 -1.87 -0.15 0.00 -0.04 0.00 0.00 63.50 61.31 1u97 n PRO 20 Cb 0.52 -1.43 -0.08 0.00 -0.04 0.00 0.00 33.50 32.47 1u97 n PRO 20 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1u97 s LYS 21 N -5.65 0.74 0.00 0.54 -2.85 -1.26 -5.09 119.74 106.17 1u97 s LYS 21 Ca 0.71 0.09 0.00 0.00 -1.00 0.00 0.00 55.97 55.77 1u97 s LYS 21 Cb -0.04 0.34 0.00 0.00 -2.06 0.00 0.00 37.83 36.07 1u97 s LYS 21 CO 0.52 -0.20 0.72 -0.35 0.10 0.00 0.00 175.35 176.14 1u97 n PRO 22 N 1.48 0.00 -1.27 1.78 -0.04 -1.26 -4.85 135.00 130.84 1u97 n PRO 22 Ca -0.19 0.37 -0.11 0.00 -0.04 0.00 0.00 63.50 63.53 1u97 n PRO 22 Cb 0.56 -1.28 -0.05 0.00 -0.04 0.00 0.00 33.50 32.70 1u97 n PRO 22 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1u97 n VAL 25 N 0.00 -1.74 -3.57 0.00 0.31 -1.26 -4.98 118.33 107.09 1u97 n VAL 25 Ca 0.00 0.98 -0.26 0.00 -0.01 0.00 0.00 64.34 65.05 1u97 n VAL 25 Cb 0.00 -1.60 -0.16 0.00 -0.91 0.00 0.00 33.84 31.17 1u97 n VAL 25 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1u97 h LYS 27 N 8.40 0.00 -0.76 0.00 1.57 -2.01 -3.32 116.57 120.46 1u97 h LYS 27 Ca -0.17 -0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.66 1u97 h LYS 27 Cb 1.10 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.37 1u97 h LYS 27 CO 0.34 1.00 0.50 -1.35 -0.57 0.00 0.00 179.45 179.37 1u97 h PRO 28 N -0.99 0.85 -0.12 3.15 0.11 -2.00 -1.15 132.00 131.85 1u97 h PRO 28 Ca -0.26 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.76 1u97 h PRO 28 Cb 1.23 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1u97 h PRO 28 CO -0.16 0.57 -0.07 0.93 -0.21 0.00 0.00 178.00 179.05 1u97 h GLU 29 N 0.88 0.18 -0.29 1.05 3.07 -1.99 -1.68 114.58 115.80 1u97 h GLU 29 Ca 0.31 -0.03 -0.13 0.00 -0.50 0.00 0.00 59.36 59.01 1u97 h GLU 29 Cb 0.13 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.00 1u97 h GLU 29 CO -0.10 0.27 -0.36 -0.22 -1.40 0.00 0.00 179.01 177.20 1u97 h LYS 30 N 0.18 0.66 -0.28 2.33 1.63 -1.30 -1.86 116.57 117.92 1u97 h LYS 30 Ca 0.04 -0.31 -0.19 0.00 -0.85 0.00 0.00 60.65 59.34 1u97 h LYS 30 Cb 0.25 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.88 1u97 h LYS 30 CO 0.01 0.91 -0.56 1.49 -3.45 0.00 0.00 179.45 177.85 1u97 h GLU 31 N 0.55 0.86 -0.11 1.90 4.57 -1.20 -1.82 114.58 119.32 1u97 h GLU 31 Ca 0.06 -0.56 -0.01 0.00 -1.18 0.00 0.00 59.36 57.67 1u97 h GLU 31 Cb 0.87 0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 29.52 1u97 h GLU 31 CO 0.07 1.19 0.03 0.93 -1.18 0.00 0.00 179.01 180.06 1u97 h GLU 32 N 0.66 0.18 -0.14 1.92 4.39 -1.25 -1.56 114.58 118.78 1u97 h GLU 32 Ca 0.01 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.66 1u97 h GLU 32 Cb 1.17 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.79 1u97 h GLU 32 CO 0.12 0.35 0.07 -0.09 -1.16 0.00 0.00 179.01 178.30 1u97 h ARG 33 N -0.02 0.21 -0.27 2.33 2.43 -1.37 -1.33 114.38 116.36 1u97 h ARG 33 Ca 0.04 -0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.22 1u97 h ARG 33 Cb 0.25 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.72 1u97 h ARG 33 CO 0.00 0.25 0.03 0.22 -1.51 0.00 0.00 179.97 178.96 1u97 h ASP 34 N 0.11 -0.05 -0.67 -3.80 3.58 -1.31 -1.39 116.42 112.89 1u97 h ASP 34 Ca 0.05 0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.54 1u97 h ASP 34 Cb 0.11 0.08 -0.03 0.00 1.72 0.00 0.00 39.33 41.21 1u97 h ASP 34 CO -0.01 0.01 0.39 0.74 -2.88 0.00 0.00 179.24 177.49 1u97 h THR 35 N 0.12 1.20 -0.64 2.25 2.02 -1.17 -0.94 112.91 115.75 1u97 h THR 35 Ca 0.13 -0.48 -0.03 0.00 0.77 0.00 0.00 66.41 66.80 1u97 h THR 35 Cb 0.15 0.26 -0.03 0.00 -1.74 0.00 0.00 68.15 66.78 1u97 h THR 35 CO -0.19 0.22 0.29 0.00 0.37 0.00 0.00 175.52 176.21 1u97 h ILE 37 N 0.88 1.44 -0.02 0.00 2.04 -0.79 0.19 117.51 121.25 1u97 h ILE 37 Ca 0.22 -2.12 -0.21 0.00 1.00 0.00 0.00 64.86 63.75 1u97 h ILE 37 Cb 0.14 2.14 -0.00 0.00 -0.74 0.00 0.00 36.82 38.36 1u97 h ILE 37 CO -0.02 0.60 -0.86 -0.07 0.00 0.00 0.00 178.15 177.80 1u97 h LEU 38 N 0.00 0.46 0.00 1.44 3.38 -0.82 -2.81 115.31 116.95 1u97 h LEU 38 Ca -0.01 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1u97 h LEU 38 Cb 1.09 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1u97 h LEU 38 CO 0.08 1.12 -0.33 0.49 0.09 0.00 0.00 178.44 179.89 1u97 n PHE 39 N -3.76 0.26 0.15 1.13 3.01 -0.35 -4.71 117.46 113.19 1u97 n PHE 39 Ca -0.05 0.11 -0.13 0.00 1.01 0.00 0.00 57.45 58.39 1u97 n PHE 39 Cb 0.79 -0.38 -0.08 0.00 -0.01 0.00 0.00 39.48 39.79 1u97 n PHE 39 CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 1u97 h ASN 40 N -0.47 -0.33 -4.84 4.37 2.35 -0.86 -3.50 115.58 112.30 1u97 h ASN 40 Ca 0.00 -0.18 0.00 0.00 -0.55 0.00 0.00 56.30 55.57 1u97 h ASN 40 Cb 0.33 0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.79 1u97 h ASN 40 CO 0.00 0.03 0.00 0.61 -1.65 0.00 0.00 177.43 176.42 1u97 n GLY 41 N -0.31 2.54 0.08 2.83 0.00 -0.66 -4.70 105.19 104.97 1u97 n GLY 41 Ca -0.09 -2.09 0.13 0.00 0.00 0.00 0.00 46.02 43.96 1u97 n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u97 n GLN 42 N -1.16 0.30 0.03 1.61 10.64 -1.26 -3.51 117.38 124.03 1u97 n GLN 42 Ca 0.00 -0.15 0.12 0.00 -1.83 0.00 0.00 57.00 55.14 1u97 n GLN 42 Cb 0.00 -1.50 0.18 0.00 -0.86 0.00 0.00 30.24 28.06 1u97 n GLN 42 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 1u97 n ASP 43 N -1.22 0.60 -4.70 2.61 2.03 -1.26 -4.88 116.55 109.72 1u97 n ASP 43 Ca 0.09 -0.09 -0.42 0.00 0.52 0.00 0.00 54.79 54.88 1u97 n ASP 43 Cb 0.33 0.31 -0.03 0.00 -0.72 0.00 0.00 41.12 41.01 1u97 n ASP 43 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1u97 s SER 44 N -3.66 6.82 -0.05 1.67 0.01 -1.23 -4.90 113.70 112.37 1u97 s SER 44 Ca 0.08 2.25 0.14 0.00 1.31 0.00 0.00 55.95 59.73 1u97 s SER 44 Cb 0.15 -2.57 -0.22 0.00 0.21 0.00 0.00 66.02 63.59 1u97 s SER 44 CO 0.73 -0.70 0.26 -0.62 0.41 0.00 0.00 173.24 173.32 1u97 n GLU 45 N 4.67 0.78 0.20 12.44 -0.58 -1.26 -4.37 120.64 132.52 1u97 n GLU 45 Ca 0.12 -0.10 0.07 0.00 -0.42 0.00 0.00 57.16 56.83 1u97 n GLU 45 Cb 0.43 -1.36 0.40 0.00 -0.57 0.00 0.00 31.44 30.34 1u97 n GLU 45 CO 0.00 0.00 0.00 1.57 -0.48 0.00 0.00 177.13 178.22 1u97 h LYS 46 N 0.00 0.00 -0.61 3.49 -0.00 -2.01 -2.82 116.57 114.62 1u97 h LYS 46 Ca -0.10 0.00 -0.20 0.00 -0.00 0.00 0.00 60.65 60.36 1u97 h LYS 46 Cb 0.98 0.00 -0.12 0.00 -0.00 0.00 0.00 32.23 33.10 1u97 h LYS 46 CO 0.01 0.32 0.20 0.00 -0.00 0.00 0.00 179.45 179.98 1u97 n LYS 48 N -0.46 0.00 -0.30 0.00 3.00 -1.07 -2.91 118.16 116.42 1u97 n LYS 48 Ca 0.38 0.34 0.03 0.00 -0.00 0.00 0.00 58.31 59.06 1u97 n LYS 48 Cb 1.27 -1.50 0.17 0.00 0.00 0.00 0.00 35.03 34.97 1u97 n LYS 48 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 1u97 h GLU 49 N 0.00 0.81 -0.16 1.64 4.57 -1.85 0.19 114.58 119.78 1u97 h GLU 49 Ca 0.00 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.11 1u97 h GLU 49 Cb 0.16 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.56 1u97 h GLU 49 CO 0.00 0.53 0.01 0.74 -1.18 0.00 0.00 179.01 179.11 1u97 h PHE 50 N 0.83 0.29 0.36 0.92 0.04 -1.93 -1.26 116.94 116.20 1u97 h PHE 50 Ca 0.41 -0.05 -0.02 0.00 2.80 0.00 0.00 57.97 61.11 1u97 h PHE 50 Cb 0.35 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 38.43 1u97 h PHE 50 CO -0.05 0.48 -0.17 0.82 -0.60 0.00 0.00 178.31 178.79 1u97 h ILE 51 N 0.02 0.65 -0.72 -0.55 2.04 -1.62 -1.93 117.51 115.41 1u97 h ILE 51 Ca 0.05 -0.08 0.03 0.00 1.00 0.00 0.00 64.86 65.86 1u97 h ILE 51 Cb 0.36 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 37.09 1u97 h ILE 51 CO 0.01 0.02 0.48 1.05 0.00 0.00 0.00 178.15 179.70 1u97 h GLU 52 N -0.52 0.85 0.66 2.37 4.11 -1.02 -0.14 114.58 120.89 1u97 h GLU 52 Ca -0.05 -0.05 -0.03 0.00 0.07 0.00 0.00 59.36 59.30 1u97 h GLU 52 Cb 0.39 -0.19 0.01 0.00 0.50 0.00 0.00 28.75 29.46 1u97 h GLU 52 CO 0.08 0.56 -0.32 -0.22 0.07 0.00 0.00 179.01 179.19 1u97 h LYS 53 N 0.88 -0.85 0.00 1.06 1.63 -0.98 -1.85 116.57 116.46 1u97 h LYS 53 Ca 0.29 0.06 -0.02 0.00 -0.85 0.00 0.00 60.65 60.13 1u97 h LYS 53 Cb 0.06 0.19 -0.00 0.00 -0.60 0.00 0.00 32.23 31.88 1u97 h LYS 53 CO -0.08 -0.54 -0.09 -0.92 -3.45 0.00 0.00 179.45 174.36 1u97 h TYR 54 N -0.96 0.00 0.16 1.91 3.20 -1.16 -2.01 116.97 118.11 1u97 h TYR 54 Ca -0.09 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.77 1u97 h TYR 54 Cb 0.70 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.97 1u97 h TYR 54 CO -0.02 0.09 -0.07 -0.22 -1.64 0.00 0.00 178.16 176.30 1u97 h LYS 55 N 0.00 -0.20 -0.32 1.82 3.64 -0.68 -1.33 116.57 119.49 1u97 h LYS 55 Ca -0.00 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.35 1u97 h LYS 55 Cb 0.31 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 1u97 h LYS 55 CO 0.01 0.11 0.03 0.93 -2.27 0.00 0.00 179.45 178.26 1u97 h GLU 56 N -0.53 0.55 0.49 1.90 4.39 -1.11 -1.20 114.58 119.07 1u97 h GLU 56 Ca -0.02 -0.16 -0.01 0.00 0.34 0.00 0.00 59.36 59.50 1u97 h GLU 56 Cb 0.41 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.99 1u97 h GLU 56 CO 0.04 0.66 -0.35 0.00 -1.16 0.00 0.00 179.01 178.20 1u97 h MET 58 N -0.82 0.77 -0.33 0.00 1.85 -1.28 -1.77 114.93 113.36 1u97 h MET 58 Ca -0.05 -0.07 -0.07 0.00 -0.61 0.00 0.00 59.70 58.90 1u97 h MET 58 Cb 0.69 -0.16 -0.02 0.00 0.43 0.00 0.00 31.60 32.54 1u97 h MET 58 CO 0.02 0.56 -0.08 -0.22 -0.40 0.00 0.00 176.91 176.79 1u97 h LYS 59 N 0.78 0.54 0.00 0.39 3.64 -0.85 -2.39 116.57 118.67 1u97 h LYS 59 Ca 0.20 -0.14 -0.12 0.00 -1.27 0.00 0.00 60.65 59.32 1u97 h LYS 59 Cb 0.01 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 1u97 h LYS 59 CO -0.03 0.62 -0.57 0.78 -2.27 0.00 0.00 179.45 177.97 1u97 h GLY 60 N 0.90 0.00 1.00 5.01 0.00 -0.23 -3.20 103.07 106.55 1u97 h GLY 60 Ca 0.10 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.35 1u97 h GLY 60 CO 0.02 0.00 -0.03 -1.82 0.00 0.00 0.00 176.54 174.71 1u97 h TYR 61 N 0.00 0.92 0.00 5.60 3.20 -0.89 -3.47 116.97 122.33 1u97 h TYR 61 Ca -0.01 -0.17 0.00 0.00 3.14 0.00 0.00 58.73 61.69 1u97 h TYR 61 Cb 1.14 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 39.17 1u97 h TYR 61 CO 0.00 0.90 0.00 0.41 -1.64 0.00 0.00 178.16 177.83 1u97 n GLY 62 N -0.32 0.49 3.56 1.82 0.00 -1.07 -5.01 105.19 104.66 1u97 n GLY 62 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1u97 n GLY 62 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1u97 s PHE 63 N -0.73 -0.76 0.00 1.61 5.36 -1.11 -5.06 117.98 117.30 1u97 s PHE 63 Ca 0.00 1.79 0.00 0.00 -0.96 0.00 0.00 56.93 57.76 1u97 s PHE 63 Cb 0.00 0.30 0.00 0.00 -0.34 0.00 0.00 43.02 42.98 1u97 s PHE 63 CO 0.00 -0.37 0.00 0.39 -1.46 0.00 0.00 175.22 173.78 1u97 n GLU 64 N 2.98 0.64 -3.26 10.12 1.02 -1.26 -3.17 120.64 127.71 1u97 n GLU 64 Ca -0.15 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 56.74 1u97 n GLU 64 Cb 0.56 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.91 1u97 n GLU 64 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1u97 n VAL 65 N -0.76 1.09 -0.00 2.62 0.31 -1.26 -4.80 118.33 115.53 1u97 n VAL 65 Ca 0.00 -4.77 -0.00 0.00 -0.01 0.00 0.00 64.34 59.56 1u97 n VAL 65 Cb 0.00 -1.77 -0.00 0.00 -0.91 0.00 0.00 33.84 31.16 1u97 n VAL 65 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1u97 h PRO 66 N 3.84 0.00 0.00 5.55 0.13 -2.04 -3.50 132.00 135.98 1u97 h PRO 66 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1u97 h PRO 66 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 1u97 h PRO 66 CO 0.67 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.31 1u97 n SER 67 N -2.27 -1.56 -3.43 1.44 3.41 -1.26 -4.97 113.62 104.98 1u97 n SER 67 Ca -0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.52 1u97 n SER 67 Cb 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 63.94 1u97 n SER 67 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u97 s ALA 68 N -1.43 -0.55 -1.82 7.33 0.00 -1.26 -5.30 121.76 118.74 1u97 s ALA 68 Ca 0.00 -0.77 0.15 0.00 0.00 0.00 0.00 51.96 51.34 1u97 s ALA 68 Cb 0.00 0.87 0.12 0.00 0.00 0.00 0.00 23.12 24.10 1u97 s ALA 68 CO 0.00 -0.95 0.96 -1.71 0.00 0.00 0.00 175.76 174.06