#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 -0.01 0.29 2.03 2.01 -1.26 -5.15 115.64 113.56 1u97 s THR 2 Ca 0.00 0.05 -0.29 0.00 0.31 0.00 0.00 61.69 61.76 1u97 s THR 2 Cb 0.00 -0.29 -0.10 0.00 0.01 0.00 0.00 72.50 72.12 1u97 s THR 2 CO 0.00 0.02 1.17 -1.61 -0.69 0.00 0.00 174.62 173.51 1u97 s GLU 3 N 0.44 4.55 -0.44 4.92 2.02 -1.26 -5.01 118.70 123.92 1u97 s GLU 3 Ca -0.03 1.94 -0.08 0.00 0.02 0.00 0.00 54.97 56.82 1u97 s GLU 3 Cb -0.04 -3.15 0.10 0.00 0.10 0.00 0.00 34.13 31.14 1u97 s GLU 3 CO -0.02 0.08 0.28 0.99 0.02 0.00 0.00 175.26 176.61 1u97 s THR 4 N -1.12 4.00 0.00 3.63 2.01 -1.26 -4.67 115.64 118.24 1u97 s THR 4 Ca 0.46 -1.71 0.00 0.00 0.31 0.00 0.00 61.69 60.75 1u97 s THR 4 Cb -0.34 -3.59 0.00 0.00 0.01 0.00 0.00 72.50 68.58 1u97 s THR 4 CO 0.45 -0.66 0.00 -0.67 -0.69 0.00 0.00 174.62 173.05 1u97 n ASP 5 N 4.84 0.00 -4.64 3.53 -0.08 -1.26 -5.10 116.55 113.85 1u97 n ASP 5 Ca -0.08 0.00 -0.43 0.00 -1.51 0.00 0.00 54.79 52.78 1u97 n ASP 5 Cb 0.42 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.85 1u97 n ASP 5 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1u97 s LYS 6 N -0.12 3.94 -0.09 -0.67 1.02 -1.26 -4.29 119.74 118.26 1u97 s LYS 6 Ca 0.00 1.99 -0.07 0.00 0.02 0.00 0.00 55.97 57.91 1u97 s LYS 6 Cb 0.00 -4.05 0.03 0.00 -0.52 0.00 0.00 37.83 33.29 1u97 s LYS 6 CO 0.00 -1.14 0.13 1.17 -0.92 0.00 0.00 175.35 174.59 1u97 n LYS 7 N 7.51 -4.60 -4.17 1.68 3.00 -1.26 -5.06 118.16 115.25 1u97 n LYS 7 Ca 0.19 3.43 -0.18 0.00 -0.00 0.00 0.00 58.31 61.76 1u97 n LYS 7 Cb 0.44 -4.68 -0.12 0.00 0.00 0.00 0.00 35.03 30.67 1u97 n LYS 7 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.40 176.26 1u97 s GLN 8 N -0.70 0.82 0.22 1.64 0.74 -1.26 -5.05 119.66 116.07 1u97 s GLN 8 Ca -0.15 -0.99 -0.09 0.00 0.05 0.00 0.00 55.36 54.17 1u97 s GLN 8 Cb 0.01 -0.77 0.20 0.00 1.10 0.00 0.00 33.01 33.55 1u97 s GLN 8 CO 0.41 0.16 1.87 1.49 -0.55 0.00 0.00 175.29 178.68 1u97 h GLU 9 N 4.15 0.97 -4.73 1.67 4.81 -1.98 -3.38 114.58 116.09 1u97 h GLU 9 Ca -0.40 -0.06 -0.69 0.00 -0.13 0.00 0.00 59.36 58.08 1u97 h GLU 9 Cb 1.19 -0.22 -0.28 0.00 0.63 0.00 0.00 28.75 30.08 1u97 h GLU 9 CO 0.42 0.64 -0.62 -1.14 -0.73 0.00 0.00 179.01 177.59 1u97 s GLN 10 N -6.12 2.82 -0.31 1.92 0.74 -1.26 -4.92 119.66 112.53 1u97 s GLN 10 Ca -0.13 -1.04 0.06 0.00 0.05 0.00 0.00 55.36 54.30 1u97 s GLN 10 Cb 0.16 -3.41 0.20 0.00 1.10 0.00 0.00 33.01 31.05 1u97 s GLN 10 CO 0.78 -0.57 0.60 -2.00 -0.55 0.00 0.00 175.29 173.56 1u97 s GLU 11 N 1.44 0.59 -0.20 1.67 2.56 -1.26 -5.06 118.70 118.44 1u97 s GLU 11 Ca 0.00 0.42 -0.10 0.00 0.00 0.00 0.00 54.97 55.29 1u97 s GLU 11 Cb -0.18 0.22 0.04 0.00 2.00 0.00 0.00 34.13 36.21 1u97 s GLU 11 CO 0.02 -1.06 0.20 -1.71 -0.56 0.00 0.00 175.26 172.16 1u97 n ASN 12 N 5.25 -1.89 -2.61 -1.70 5.15 -1.26 -4.78 115.26 113.42 1u97 n ASN 12 Ca 0.06 1.34 -0.06 0.00 -0.60 0.00 0.00 54.58 55.33 1u97 n ASN 12 Cb 0.55 -5.10 -0.05 0.00 -0.53 0.00 0.00 39.78 34.65 1u97 n ASN 12 CO 0.00 0.00 0.00 1.57 1.40 0.00 0.00 177.26 180.23 1u97 n HIS 13 N 1.60 -4.52 -3.84 1.20 -0.00 -1.26 -4.99 115.22 103.41 1u97 n HIS 13 Ca -0.34 2.60 -0.36 0.00 -0.00 0.00 0.00 57.72 59.63 1u97 n HIS 13 Cb 0.53 -3.95 -0.13 0.00 -0.00 0.00 0.00 29.99 26.44 1u97 n HIS 13 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1u97 s ALA 14 N -0.72 2.95 0.83 1.57 0.00 -1.26 -5.08 121.76 120.05 1u97 s ALA 14 Ca -0.28 -1.22 -0.10 0.00 0.00 0.00 0.00 51.96 50.36 1u97 s ALA 14 Cb 0.02 -1.88 0.09 0.00 0.00 0.00 0.00 23.12 21.35 1u97 s ALA 14 CO 0.80 -0.54 1.12 -1.83 0.00 0.00 0.00 175.76 175.31 1u97 s GLU 15 N 1.51 1.74 -0.01 0.00 1.03 -1.26 -4.68 118.70 117.04 1u97 s GLU 15 Ca 0.05 1.35 -0.02 0.00 0.03 0.00 0.00 54.97 56.38 1u97 s GLU 15 Cb -0.15 -1.83 0.01 0.00 -0.80 0.00 0.00 34.13 31.36 1u97 s GLU 15 CO -0.00 -2.06 0.03 0.00 -1.33 0.00 0.00 175.26 171.90 1u97 s GLU 17 N -0.71 0.22 -0.31 0.00 2.12 -1.26 -5.01 118.70 113.74 1u97 s GLU 17 Ca -0.04 0.47 0.07 0.00 0.36 0.00 0.00 54.97 55.83 1u97 s GLU 17 Cb 0.00 -0.64 0.62 0.00 0.26 0.00 0.00 34.13 34.38 1u97 s GLU 17 CO 0.10 -0.53 1.69 -0.25 -0.54 0.00 0.00 175.26 175.73 1u97 n ASP 18 N 5.34 4.22 -3.12 -1.70 9.92 -1.26 -4.96 116.55 125.00 1u97 n ASP 18 Ca -0.05 -3.13 -0.21 0.00 -0.53 0.00 0.00 54.79 50.87 1u97 n ASP 18 Cb 0.50 -0.74 0.02 0.00 -0.64 0.00 0.00 41.12 40.26 1u97 n ASP 18 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1u97 n LYS 19 N -0.30 -2.19 -0.15 -1.24 4.76 -1.26 -4.83 118.16 112.94 1u97 n LYS 19 Ca 0.40 1.84 -0.03 0.00 -2.87 0.00 0.00 58.31 57.64 1u97 n LYS 19 Cb 1.32 -4.22 0.02 0.00 -1.84 0.00 0.00 35.03 30.31 1u97 n LYS 19 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1u97 n PRO 20 N -0.28 1.17 -3.65 1.97 -0.04 -1.26 -4.70 135.00 128.20 1u97 n PRO 20 Ca 0.03 -0.37 -0.04 0.00 -0.04 0.00 0.00 63.50 63.09 1u97 n PRO 20 Cb 0.55 -1.16 -0.06 0.00 -0.04 0.00 0.00 33.50 32.79 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 -0.44 0.55 -0.10 0.54 -2.85 -1.26 -5.03 119.74 111.15 1u97 s LYS 21 Ca 0.07 1.33 0.05 0.00 -1.00 0.00 0.00 55.97 56.42 1u97 s LYS 21 Cb 0.06 0.63 0.33 0.00 -2.06 0.00 0.00 37.83 36.79 1u97 s LYS 21 CO 0.01 -0.20 1.01 -0.35 0.10 0.00 0.00 175.35 175.93 1u97 n PRO 22 N 5.20 2.55 -0.25 1.78 -0.04 -1.26 -4.18 135.00 138.79 1u97 n PRO 22 Ca -0.13 -1.27 0.02 0.00 -0.04 0.00 0.00 63.50 62.08 1u97 n PRO 22 Cb 0.51 -1.80 0.12 0.00 -0.04 0.00 0.00 33.50 32.29 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 -1.66 -1.47 -2.05 0.00 0.31 -1.26 -4.93 118.33 107.27 1u97 n VAL 25 Ca -0.00 0.88 0.00 0.00 -0.01 0.00 0.00 64.34 65.21 1u97 n VAL 25 Cb 0.64 -1.42 0.00 0.00 -0.91 0.00 0.00 33.84 32.15 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 0.09 -0.04 0.00 0.00 3.64 -2.01 -2.08 116.57 116.16 1u97 h LYS 27 Ca -0.02 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.32 1u97 h LYS 27 Cb 1.44 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.26 1u97 h LYS 27 CO 0.01 -0.03 -0.19 -1.00 -2.27 0.00 0.00 179.45 175.97 1u97 h PRO 28 N -0.05 0.00 -0.50 1.90 0.13 -1.99 -3.06 132.00 128.43 1u97 h PRO 28 Ca 0.10 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.17 1u97 h PRO 28 Cb 0.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.30 1u97 h PRO 28 CO -0.22 0.19 0.09 1.49 -0.23 0.00 0.00 178.00 179.31 1u97 h GLU 29 N 0.00 0.78 -0.57 0.86 4.57 -1.74 -1.92 114.58 116.57 1u97 h GLU 29 Ca -0.00 -0.17 -0.02 0.00 -1.18 0.00 0.00 59.36 57.99 1u97 h GLU 29 Cb 0.70 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 29.16 1u97 h GLU 29 CO 0.02 0.73 0.28 0.87 -1.18 0.00 0.00 179.01 179.74 1u97 h LYS 30 N 0.75 0.81 -0.36 1.92 1.57 -1.39 -0.24 116.57 119.62 1u97 h LYS 30 Ca 0.16 -0.11 -0.04 0.00 -1.87 0.00 0.00 60.65 58.79 1u97 h LYS 30 Cb 0.33 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 1u97 h LYS 30 CO 0.00 0.65 0.07 0.93 -0.57 0.00 0.00 179.45 180.54 1u97 h GLU 31 N 0.76 0.60 -0.67 3.15 4.39 -1.59 -2.07 114.58 119.14 1u97 h GLU 31 Ca 0.20 -0.15 -0.03 0.00 0.34 0.00 0.00 59.36 59.72 1u97 h GLU 31 Cb 0.10 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.65 1u97 h GLU 31 CO -0.03 0.65 0.32 0.93 -1.16 0.00 0.00 179.01 179.72 1u97 h GLU 32 N 0.44 0.97 0.14 2.33 5.08 -1.15 -0.25 114.58 122.14 1u97 h GLU 32 Ca 0.11 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1u97 h GLU 32 Cb 0.34 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1u97 h GLU 32 CO 0.00 0.77 -0.07 -0.09 -1.00 0.00 0.00 179.01 178.63 1u97 h ARG 33 N 0.93 -0.18 -0.35 2.33 2.43 -0.91 -0.87 114.38 117.76 1u97 h ARG 33 Ca 0.23 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.38 1u97 h ARG 33 Cb 0.12 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 1u97 h ARG 33 CO -0.03 -0.12 0.09 0.22 -1.51 0.00 0.00 179.97 178.63 1u97 h ASP 34 N -0.19 0.45 -0.08 -3.80 1.82 -1.23 -1.98 116.42 111.40 1u97 h ASP 34 Ca -0.02 -0.05 -0.10 0.00 -0.39 0.00 0.00 57.03 56.47 1u97 h ASP 34 Cb 0.15 -0.12 -0.01 0.00 0.68 0.00 0.00 39.33 40.03 1u97 h ASP 34 CO 0.03 0.45 -0.25 0.74 -1.61 0.00 0.00 179.24 178.60 1u97 h THR 35 N 0.49 1.27 -0.05 2.25 2.02 -0.59 -0.27 112.91 118.04 1u97 h THR 35 Ca 0.12 -1.28 -0.02 0.00 0.77 0.00 0.00 66.41 66.00 1u97 h THR 35 Cb 0.17 1.34 -0.00 0.00 -1.74 0.00 0.00 68.15 67.92 1u97 h THR 35 CO -0.01 0.41 -0.04 0.00 0.37 0.00 0.00 175.52 176.26 1u97 h ILE 37 N -0.31 1.21 -0.27 0.00 2.04 -1.33 -2.02 117.51 116.83 1u97 h ILE 37 Ca 0.01 -0.81 -0.18 0.00 1.00 0.00 0.00 64.86 64.88 1u97 h ILE 37 Cb 0.50 0.90 -0.00 0.00 -0.74 0.00 0.00 36.82 37.48 1u97 h ILE 37 CO 0.01 0.28 -0.55 0.25 0.00 0.00 0.00 178.15 178.14 1u97 h LEU 38 N 0.57 0.90 0.79 1.44 7.12 -0.99 0.19 115.31 125.33 1u97 h LEU 38 Ca 0.12 -0.49 -0.04 0.00 0.13 0.00 0.00 57.88 57.61 1u97 h LEU 38 Cb 0.33 -0.26 0.01 0.00 -0.53 0.00 0.00 40.66 40.21 1u97 h LEU 38 CO 0.01 1.27 -0.38 0.15 -0.13 0.00 0.00 178.44 179.36 1u97 h PHE 39 N 0.62 -0.98 0.34 1.25 3.04 -0.66 -3.36 116.94 117.18 1u97 h PHE 39 Ca 0.01 -0.02 -0.02 0.00 3.98 0.00 0.00 57.97 61.92 1u97 h PHE 39 Cb 1.15 0.32 0.00 0.00 2.56 0.00 0.00 35.95 39.99 1u97 h PHE 39 CO 0.07 -0.61 -0.16 -0.91 -2.02 0.00 0.00 178.31 174.67 1u97 h ASN 40 N -1.19 -0.38 0.00 0.41 2.35 -1.48 -3.50 115.58 111.78 1u97 h ASN 40 Ca -0.11 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.60 1u97 h ASN 40 Cb 0.81 0.10 0.00 0.00 0.05 0.00 0.00 38.32 39.28 1u97 h ASN 40 CO 0.18 0.07 0.00 0.61 -1.65 0.00 0.00 177.43 176.64 1u97 n GLY 41 N 0.54 0.30 3.60 2.83 0.00 0.67 -5.08 105.19 108.06 1u97 n GLY 41 Ca -0.06 -0.05 -0.04 0.00 0.00 0.00 0.00 46.02 45.87 1u97 n GLY 41 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1u97 s GLN 42 N 0.00 0.31 0.00 1.61 1.03 -1.26 -4.49 119.66 116.86 1u97 s GLN 42 Ca 0.00 -0.12 0.00 0.00 0.04 0.00 0.00 55.36 55.28 1u97 s GLN 42 Cb 0.00 0.14 0.00 0.00 0.03 0.00 0.00 33.01 33.18 1u97 s GLN 42 CO 0.00 -0.14 0.00 -3.47 -2.54 0.00 0.00 175.29 169.14 1u97 n ASP 43 N -0.13 0.00 -4.40 12.60 2.03 -1.26 -4.90 116.55 120.50 1u97 n ASP 43 Ca -0.00 0.00 -0.45 0.00 0.52 0.00 0.00 54.79 54.86 1u97 n ASP 43 Cb 0.59 -1.13 -0.03 0.00 -0.72 0.00 0.00 41.12 39.83 1u97 n ASP 43 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1u97 s SER 44 N -2.64 6.62 0.00 1.67 1.04 -1.26 -4.40 113.70 114.73 1u97 s SER 44 Ca 0.00 -2.19 0.00 0.00 0.48 0.00 0.00 55.95 54.24 1u97 s SER 44 Cb 0.00 -2.32 0.00 0.00 0.10 0.00 0.00 66.02 63.80 1u97 s SER 44 CO 0.00 -0.90 0.00 -0.62 0.98 0.00 0.00 173.24 172.70 1u97 n GLU 45 N 5.61 0.00 -2.68 4.02 1.02 -1.26 -3.63 120.64 123.72 1u97 n GLU 45 Ca 0.16 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.22 1u97 n GLU 45 Cb 0.47 -3.84 -0.01 0.00 -0.02 0.00 0.00 31.44 28.04 1u97 n GLU 45 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1u97 n LYS 46 N -2.00 -2.67 -4.39 3.49 5.02 -1.26 -1.08 118.16 115.27 1u97 n LYS 46 Ca 0.00 0.22 -0.37 0.00 -2.02 0.00 0.00 58.31 56.13 1u97 n LYS 46 Cb 0.00 -4.77 -0.07 0.00 -0.02 0.00 0.00 35.03 30.17 1u97 n LYS 46 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1u97 h LYS 48 N -1.30 0.00 0.03 0.00 1.57 -1.45 -1.52 116.57 113.90 1u97 h LYS 48 Ca -0.62 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.16 1u97 h LYS 48 Cb 1.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.70 1u97 h LYS 48 CO 0.81 0.00 -0.01 1.49 -0.57 0.00 0.00 179.45 181.16 1u97 h GLU 49 N 0.00 -0.04 -0.29 3.15 4.81 -1.85 -1.49 114.58 118.86 1u97 h GLU 49 Ca 0.07 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.13 1u97 h GLU 49 Cb 0.72 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.11 1u97 h GLU 49 CO -0.00 0.36 -0.51 0.74 -0.73 0.00 0.00 179.01 178.87 1u97 h PHE 50 N -0.44 1.07 0.55 0.92 0.04 -1.67 -1.83 116.94 115.58 1u97 h PHE 50 Ca -0.00 -0.38 -0.03 0.00 2.80 0.00 0.00 57.97 60.36 1u97 h PHE 50 Cb 0.42 -0.20 0.01 0.00 2.20 0.00 0.00 35.95 38.37 1u97 h PHE 50 CO 0.06 1.20 -0.26 0.82 -0.60 0.00 0.00 178.31 179.53 1u97 h ILE 51 N 0.64 0.45 -0.56 -0.55 2.04 -1.43 -0.50 117.51 117.61 1u97 h ILE 51 Ca 0.02 -0.06 0.03 0.00 1.00 0.00 0.00 64.86 65.85 1u97 h ILE 51 Cb 1.11 0.48 -0.04 0.00 -0.74 0.00 0.00 36.82 37.64 1u97 h ILE 51 CO 0.11 0.01 0.33 -0.33 0.00 0.00 0.00 178.15 178.28 1u97 h GLU 52 N -0.77 0.63 -0.48 2.37 4.39 -1.34 -1.13 114.58 118.25 1u97 h GLU 52 Ca -0.08 -0.04 0.05 0.00 0.34 0.00 0.00 59.36 59.64 1u97 h GLU 52 Cb 0.58 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 29.06 1u97 h GLU 52 CO 0.12 0.42 0.32 -0.22 -1.16 0.00 0.00 179.01 178.49 1u97 h LYS 53 N 0.65 0.42 -0.21 2.33 1.63 -1.20 -1.60 116.57 118.59 1u97 h LYS 53 Ca 0.23 -0.03 -0.10 0.00 -0.85 0.00 0.00 60.65 59.90 1u97 h LYS 53 Cb 0.04 -0.10 -0.00 0.00 -0.60 0.00 0.00 32.23 31.57 1u97 h LYS 53 CO -0.11 0.28 -0.26 -0.92 -3.45 0.00 0.00 179.45 174.99 1u97 h TYR 54 N 0.43 0.67 0.05 1.91 3.20 0.10 -1.80 116.97 121.53 1u97 h TYR 54 Ca 0.21 -0.21 -0.00 0.00 3.14 0.00 0.00 58.73 61.86 1u97 h TYR 54 Cb 0.27 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.40 1u97 h TYR 54 CO -0.00 0.92 -0.02 0.87 -1.64 0.00 0.00 178.16 178.28 1u97 h LYS 55 N 0.23 -0.06 0.22 1.82 1.57 -0.56 -0.43 116.57 119.35 1u97 h LYS 55 Ca 0.03 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1u97 h LYS 55 Cb 0.82 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.15 1u97 h LYS 55 CO 0.06 0.01 -0.11 0.93 -0.57 0.00 0.00 179.45 179.78 1u97 h GLU 56 N -0.12 -0.29 -0.54 3.15 4.39 -1.38 0.97 114.58 120.76 1u97 h GLU 56 Ca -0.01 0.02 0.09 0.00 0.34 0.00 0.00 59.36 59.81 1u97 h GLU 56 Cb 0.10 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.78 1u97 h GLU 56 CO 0.01 -0.10 0.36 0.00 -1.16 0.00 0.00 179.01 178.12 1u97 h MET 58 N 0.33 0.03 -0.45 0.00 1.85 -0.74 -2.66 114.93 113.30 1u97 h MET 58 Ca 0.25 -0.04 -0.05 0.00 -0.61 0.00 0.00 59.70 59.25 1u97 h MET 58 Cb 0.54 0.02 -0.02 0.00 0.43 0.00 0.00 31.60 32.56 1u97 h MET 58 CO -0.06 0.95 0.10 -0.22 -0.40 0.00 0.00 176.91 177.28 1u97 h LYS 59 N 0.01 0.72 0.00 0.39 3.64 0.12 -2.57 116.57 118.88 1u97 h LYS 59 Ca -0.02 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 1u97 h LYS 59 Cb 1.65 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.38 1u97 h LYS 59 CO 0.13 0.72 0.00 0.78 -2.27 0.00 0.00 179.45 178.81 1u97 h GLY 60 N 0.59 0.00 0.00 5.01 0.00 -1.41 -3.37 103.07 103.89 1u97 h GLY 60 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.47 1u97 h GLY 60 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 176.54 179.52 1u97 n TYR 61 N -2.49 0.00 -0.80 5.60 9.36 -0.97 -4.88 117.16 122.98 1u97 n TYR 61 Ca 0.05 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.27 1u97 n TYR 61 Cb 0.43 -0.44 0.00 0.00 -0.63 0.00 0.00 39.34 38.70 1u97 n TYR 61 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1u97 n GLY 62 N -0.90 0.68 3.20 2.98 0.00 -1.22 -4.95 105.19 104.98 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 0.00 -0.38 0.04 1.61 5.36 -1.23 -5.10 117.98 118.28 1u97 s PHE 63 Ca 0.00 0.90 -0.01 0.00 -0.96 0.00 0.00 56.93 56.87 1u97 s PHE 63 Cb 0.00 0.13 0.01 0.00 -0.34 0.00 0.00 43.02 42.82 1u97 s PHE 63 CO 0.00 -0.20 0.03 0.39 -1.46 0.00 0.00 175.22 173.98 1u97 n GLU 64 N 3.23 -1.68 -3.48 10.12 -0.58 -1.26 -3.56 120.64 123.42 1u97 n GLU 64 Ca -0.16 -0.04 -0.27 0.00 -0.42 0.00 0.00 57.16 56.28 1u97 n GLU 64 Cb 0.57 -0.05 -0.10 0.00 -0.57 0.00 0.00 31.44 31.29 1u97 n GLU 64 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1u97 n VAL 65 N -2.88 0.15 0.94 2.62 0.31 -1.26 -4.75 118.33 113.46 1u97 n VAL 65 Ca 0.00 -4.18 0.13 0.00 -0.01 0.00 0.00 64.34 60.28 1u97 n VAL 65 Cb 0.02 -1.92 0.48 0.00 -0.91 0.00 0.00 33.84 31.50 1u97 n VAL 65 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1u97 n PRO 66 N 2.02 0.04 0.08 5.55 -0.04 -1.26 -4.24 135.00 137.15 1u97 n PRO 66 Ca 0.25 0.02 -0.04 0.00 -0.04 0.00 0.00 63.50 63.70 1u97 n PRO 66 Cb 0.45 -1.54 -0.02 0.00 -0.04 0.00 0.00 33.50 32.35 1u97 n PRO 66 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1u97 h SER 67 N 0.00 -0.26 -4.87 3.54 0.87 -2.04 -3.48 113.55 107.31 1u97 h SER 67 Ca 0.00 0.02 0.01 0.00 -1.23 0.00 0.00 61.79 60.58 1u97 h SER 67 Cb 0.53 0.08 -0.07 0.00 -0.44 0.00 0.00 62.40 62.50 1u97 h SER 67 CO 0.00 -0.15 -1.33 0.00 -0.53 0.00 0.00 176.83 174.82 1u97 n ALA 68 N -2.26 -2.92 1.60 6.23 0.00 -1.26 -5.34 120.51 116.56 1u97 n ALA 68 Ca -0.03 1.55 0.13 0.00 0.00 0.00 0.00 53.44 55.09 1u97 n ALA 68 Cb 0.10 -3.27 0.76 0.00 0.00 0.00 0.00 19.45 17.04 1u97 n ALA 68 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59