#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u97 h THR 2 N 0.00 0.86 -2.25 3.17 2.02 -2.09 -3.50 112.91 111.12 1u97 h THR 2 Ca 0.00 -2.57 0.14 0.00 0.77 0.00 0.00 66.41 64.75 1u97 h THR 2 Cb 0.00 2.59 -0.03 0.00 -1.74 0.00 0.00 68.15 68.97 1u97 h THR 2 CO 0.00 0.79 -0.18 -0.62 0.37 0.00 0.00 175.52 175.88 1u97 n GLU 3 N -3.40 -1.01 -4.72 6.66 1.02 -1.26 -4.87 120.64 113.06 1u97 n GLU 3 Ca -0.23 0.66 -0.28 0.00 -0.02 0.00 0.00 57.16 57.29 1u97 n GLU 3 Cb 1.05 -1.23 -0.14 0.00 -0.02 0.00 0.00 31.44 31.10 1u97 n GLU 3 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 1u97 s THR 4 N -0.80 1.91 0.00 2.62 -1.32 -1.26 -4.97 115.64 111.82 1u97 s THR 4 Ca 0.00 -1.33 0.00 0.00 -1.21 0.00 0.00 61.69 59.15 1u97 s THR 4 Cb 0.00 -1.65 0.00 0.00 -1.51 0.00 0.00 72.50 69.34 1u97 s THR 4 CO 0.00 0.26 0.00 -0.90 -2.21 0.00 0.00 174.62 171.77 1u97 n ASP 5 N 1.73 0.00 -4.65 8.08 5.68 -1.26 -5.10 116.55 121.03 1u97 n ASP 5 Ca -0.17 0.00 -0.38 0.00 -0.50 0.00 0.00 54.79 53.74 1u97 n ASP 5 Cb 0.53 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 40.42 1u97 n ASP 5 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 1u97 s LYS 6 N 0.00 4.10 0.31 0.11 2.47 -1.26 -4.96 119.74 120.50 1u97 s LYS 6 Ca 0.00 0.05 0.10 0.00 -1.56 0.00 0.00 55.97 54.56 1u97 s LYS 6 Cb 0.00 -3.58 0.49 0.00 -1.46 0.00 0.00 37.83 33.28 1u97 s LYS 6 CO 0.00 -0.10 1.70 -0.22 0.16 0.00 0.00 175.35 176.88 1u97 h LYS 7 N 7.68 0.07 0.00 4.03 3.64 -2.02 -2.68 116.57 127.28 1u97 h LYS 7 Ca -0.35 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 1u97 h LYS 7 Cb 1.16 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1u97 h LYS 7 CO 0.68 0.55 0.00 1.96 -2.27 0.00 0.00 179.45 180.37 1u97 h GLN 8 N 0.05 0.00 -4.88 1.90 4.20 -2.07 -3.48 115.11 110.84 1u97 h GLN 8 Ca -0.00 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.72 1u97 h GLN 8 Cb 0.90 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 28.59 1u97 h GLN 8 CO 0.07 0.00 -1.40 0.39 -0.67 0.00 0.00 178.83 177.21 1u97 n GLU 9 N -2.82 -4.81 -4.04 1.46 1.02 -1.01 -5.07 120.64 105.37 1u97 n GLU 9 Ca 0.01 3.57 -0.08 0.00 -0.02 0.00 0.00 57.16 60.64 1u97 n GLU 9 Cb 0.27 -4.95 -0.11 0.00 -0.02 0.00 0.00 31.44 26.64 1u97 n GLU 9 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 1u97 s GLN 10 N -0.66 0.46 0.00 3.49 -2.07 -1.26 -5.05 119.66 114.57 1u97 s GLN 10 Ca -0.20 -0.91 0.00 0.00 -1.82 0.00 0.00 55.36 52.43 1u97 s GLN 10 Cb 0.01 0.15 0.00 0.00 -1.09 0.00 0.00 33.01 32.08 1u97 s GLN 10 CO 0.53 -0.08 0.00 0.39 -1.32 0.00 0.00 175.29 174.82 1u97 n GLU 11 N 0.86 1.55 -3.61 9.60 1.02 -1.26 -5.04 120.64 123.77 1u97 n GLU 11 Ca -0.19 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.57 1u97 n GLU 11 Cb 0.58 -0.72 -0.11 0.00 -0.02 0.00 0.00 31.44 31.18 1u97 n GLU 11 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1u97 s ASN 12 N -2.04 6.04 0.14 1.62 3.84 -1.26 -4.95 114.94 118.34 1u97 s ASN 12 Ca 0.00 0.02 0.22 0.00 0.21 0.00 0.00 52.86 53.32 1u97 s ASN 12 Cb 0.00 -2.12 -0.06 0.00 -0.55 0.00 0.00 41.25 38.53 1u97 s ASN 12 CO 0.00 -0.02 0.93 1.41 -2.79 0.00 0.00 177.10 176.63 1u97 n HIS 13 N 4.87 0.70 -1.32 0.43 8.25 -1.26 -4.95 115.22 121.94 1u97 n HIS 13 Ca -0.14 0.20 -0.11 0.00 -0.26 0.00 0.00 57.72 57.41 1u97 n HIS 13 Cb 0.52 -0.81 -0.05 0.00 1.12 0.00 0.00 29.99 30.77 1u97 n HIS 13 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1u97 n ALA 14 N -2.16 -0.17 -2.91 -1.41 0.00 -1.26 -4.93 120.51 107.67 1u97 n ALA 14 Ca -0.01 0.19 -0.10 0.00 0.00 0.00 0.00 53.44 53.52 1u97 n ALA 14 Cb 0.54 -1.79 -0.10 0.00 0.00 0.00 0.00 19.45 18.10 1u97 n ALA 14 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1u97 s GLU 15 N -2.96 0.45 -0.07 0.00 -1.05 -1.26 -5.16 118.70 108.66 1u97 s GLU 15 Ca 0.00 -0.61 0.00 0.00 -0.15 0.00 0.00 54.97 54.21 1u97 s GLU 15 Cb 0.00 0.17 0.02 0.00 -0.44 0.00 0.00 34.13 33.89 1u97 s GLU 15 CO 0.00 -0.10 -0.05 0.00 0.95 0.00 0.00 175.26 176.06 1u97 n GLU 17 N 4.43 0.52 -4.74 0.00 1.02 -1.26 -5.18 120.64 115.43 1u97 n GLU 17 Ca -0.18 -2.83 -0.33 0.00 -0.02 0.00 0.00 57.16 53.80 1u97 n GLU 17 Cb 0.51 1.83 -0.08 0.00 -0.02 0.00 0.00 31.44 33.68 1u97 n GLU 17 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 1u97 s ASP 18 N -3.03 4.12 -0.31 1.62 1.47 -1.26 -5.13 116.67 114.15 1u97 s ASP 18 Ca 0.23 -1.63 0.03 0.00 1.18 0.00 0.00 52.55 52.37 1u97 s ASP 18 Cb 0.01 0.45 0.09 0.00 -0.34 0.00 0.00 42.92 43.12 1u97 s ASP 18 CO 0.16 -0.82 0.00 -0.75 0.68 0.00 0.00 175.17 174.45 1u97 s LYS 19 N -3.87 1.62 0.74 2.11 2.20 -1.26 -5.12 119.74 116.17 1u97 s LYS 19 Ca 0.08 -1.61 -0.12 0.00 -0.36 0.00 0.00 55.97 53.97 1u97 s LYS 19 Cb 0.02 -2.98 0.04 0.00 -1.51 0.00 0.00 37.83 33.41 1u97 s LYS 19 CO 0.04 -0.82 1.10 -1.25 -0.36 0.00 0.00 175.35 174.06 1u97 s PRO 20 N 1.05 2.36 -0.43 4.03 0.04 -1.26 -5.02 135.00 135.76 1u97 s PRO 20 Ca 0.04 1.27 -0.06 0.00 0.04 0.00 0.00 61.00 62.30 1u97 s PRO 20 Cb -0.19 -1.90 0.11 0.00 0.04 0.00 0.00 34.50 32.55 1u97 s PRO 20 CO -0.08 -1.58 0.26 0.15 0.04 0.00 0.00 177.00 175.78 1u97 s LYS 21 N -4.61 2.28 1.35 4.56 -0.14 -1.26 -5.10 119.74 116.81 1u97 s LYS 21 Ca 0.64 -1.73 -0.21 0.00 -1.36 0.00 0.00 55.97 53.30 1u97 s LYS 21 Cb -0.19 -3.73 0.33 0.00 -1.68 0.00 0.00 37.83 32.57 1u97 s LYS 21 CO 0.51 -1.09 0.75 -2.30 -0.76 0.00 0.00 175.35 172.47 1u97 n PRO 22 N 4.76 -4.11 -2.71 -1.68 -0.02 -1.26 -4.46 135.00 125.51 1u97 n PRO 22 Ca -0.06 -1.22 -0.01 0.00 -2.02 0.00 0.00 63.50 60.19 1u97 n PRO 22 Cb 0.41 -1.83 -0.01 0.00 -0.02 0.00 0.00 33.50 32.05 1u97 n PRO 22 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1u97 n VAL 25 N 1.63 0.00 -1.13 0.00 0.31 -1.26 -4.76 118.33 113.11 1u97 n VAL 25 Ca -0.29 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 63.99 1u97 n VAL 25 Cb 0.47 -0.36 -0.02 0.00 -0.91 0.00 0.00 33.84 33.02 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 0.24 -0.55 0.00 0.00 1.57 -1.98 -2.69 116.57 113.15 1u97 h LYS 27 Ca -0.09 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1u97 h LYS 27 Cb 0.73 0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.16 1u97 h LYS 27 CO 0.13 -0.35 0.00 -1.00 -0.57 0.00 0.00 179.45 177.66 1u97 h PRO 28 N -0.61 0.00 -0.30 3.15 0.13 -2.00 -3.29 132.00 129.07 1u97 h PRO 28 Ca -0.06 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.03 1u97 h PRO 28 Cb 0.46 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.58 1u97 h PRO 28 CO 0.10 0.00 0.03 0.93 -0.23 0.00 0.00 178.00 178.83 1u97 h GLU 29 N 0.00 0.51 -0.39 0.86 4.39 -1.90 -1.95 114.58 116.11 1u97 h GLU 29 Ca 0.00 -0.15 -0.04 0.00 0.34 0.00 0.00 59.36 59.51 1u97 h GLU 29 Cb 0.74 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.31 1u97 h GLU 29 CO 0.00 0.63 0.05 0.87 -1.16 0.00 0.00 179.01 179.40 1u97 h LYS 30 N 0.32 0.58 0.18 2.33 1.57 -1.55 0.41 116.57 120.42 1u97 h LYS 30 Ca 0.09 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1u97 h LYS 30 Cb 0.38 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.60 1u97 h LYS 30 CO 0.01 0.57 -0.08 1.49 -0.57 0.00 0.00 179.45 180.87 1u97 h GLU 31 N 0.57 -0.23 -0.23 3.15 4.57 -1.66 -1.96 114.58 118.79 1u97 h GLU 31 Ca 0.13 0.02 -0.07 0.00 -1.18 0.00 0.00 59.36 58.26 1u97 h GLU 31 Cb 0.28 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.91 1u97 h GLU 31 CO 0.00 0.17 -0.15 0.93 -1.18 0.00 0.00 179.01 178.78 1u97 h GLU 32 N -0.73 0.38 0.35 1.92 5.08 -1.30 -1.85 114.58 118.44 1u97 h GLU 32 Ca -0.02 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.21 1u97 h GLU 32 Cb 0.51 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1u97 h GLU 32 CO 0.04 0.53 -0.17 -0.09 -1.00 0.00 0.00 179.01 178.32 1u97 h ARG 33 N 0.35 -0.46 0.21 2.33 2.43 -0.94 -1.54 114.38 116.77 1u97 h ARG 33 Ca 0.07 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1u97 h ARG 33 Cb 0.48 0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.11 1u97 h ARG 33 CO 0.03 -0.14 -0.22 0.22 -1.51 0.00 0.00 179.97 178.35 1u97 h ASP 34 N -0.85 -0.60 -0.64 -3.80 1.82 -1.33 -1.54 116.42 109.49 1u97 h ASP 34 Ca -0.05 0.06 0.10 0.00 -0.39 0.00 0.00 57.03 56.75 1u97 h ASP 34 Cb 0.53 0.21 -0.08 0.00 0.68 0.00 0.00 39.33 40.67 1u97 h ASP 34 CO 0.08 -0.33 0.23 0.74 -1.61 0.00 0.00 179.24 178.36 1u97 h THR 35 N -0.47 0.74 -0.91 2.25 2.02 -1.41 -0.79 112.91 114.34 1u97 h THR 35 Ca 0.00 -0.14 -0.00 0.00 0.77 0.00 0.00 66.41 67.04 1u97 h THR 35 Cb 0.45 0.30 -0.04 0.00 -1.74 0.00 0.00 68.15 67.11 1u97 h THR 35 CO -0.06 0.07 0.56 0.00 0.37 0.00 0.00 175.52 176.46 1u97 h ILE 37 N 1.25 1.30 -0.21 0.00 2.04 -0.20 0.90 117.51 122.60 1u97 h ILE 37 Ca 0.33 -1.55 -0.17 0.00 1.00 0.00 0.00 64.86 64.46 1u97 h ILE 37 Cb -0.07 1.59 -0.00 0.00 -0.74 0.00 0.00 36.82 37.59 1u97 h ILE 37 CO -0.06 0.48 -0.57 -0.07 0.00 0.00 0.00 178.15 177.93 1u97 h LEU 38 N 0.39 0.74 0.00 1.44 -0.00 -0.69 -1.50 115.31 115.68 1u97 h LEU 38 Ca 0.03 -0.40 -0.03 0.00 -0.00 0.00 0.00 57.88 57.48 1u97 h LEU 38 Cb 0.87 -0.21 -0.00 0.00 -0.00 0.00 0.00 40.66 41.32 1u97 h LEU 38 CO 0.07 1.15 -0.38 -0.26 -0.00 0.00 0.00 178.44 179.03 1u97 h PHE 39 N 0.50 0.00 0.45 1.13 0.04 -1.25 -3.40 116.94 114.40 1u97 h PHE 39 Ca 0.01 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 1u97 h PHE 39 Cb 1.14 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.29 1u97 h PHE 39 CO 0.06 0.32 -0.22 -0.91 -0.60 0.00 0.00 178.31 176.96 1u97 h ASN 40 N -1.00 -0.51 -0.83 2.17 -0.26 -0.97 -3.50 115.58 110.68 1u97 h ASN 40 Ca -0.05 -0.09 0.00 0.00 -0.56 0.00 0.00 56.30 55.60 1u97 h ASN 40 Cb 0.49 0.13 0.00 0.00 -1.06 0.00 0.00 38.32 37.89 1u97 h ASN 40 CO -0.03 -0.17 0.00 0.61 -1.06 0.00 0.00 177.43 176.78 1u97 n GLY 41 N -0.57 0.75 0.13 2.83 0.00 -0.57 -4.92 105.19 102.85 1u97 n GLY 41 Ca -0.11 -1.78 -0.20 0.00 0.00 0.00 0.00 46.02 43.93 1u97 n GLY 41 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1u97 n GLN 42 N 0.00 0.75 -3.78 1.61 6.02 -1.26 -4.36 117.38 116.36 1u97 n GLN 42 Ca 0.00 0.26 -0.33 0.00 -0.01 0.00 0.00 57.00 56.92 1u97 n GLN 42 Cb 0.00 -1.70 -0.10 0.00 1.02 0.00 0.00 30.24 29.46 1u97 n GLN 42 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1u97 s ASP 43 N -6.94 5.26 -0.01 1.08 1.01 -1.26 -5.05 116.67 110.75 1u97 s ASP 43 Ca -0.22 -3.55 0.05 0.00 0.71 0.00 0.00 52.55 49.54 1u97 s ASP 43 Cb 0.07 -1.77 -0.01 0.00 1.01 0.00 0.00 42.92 42.21 1u97 s ASP 43 CO 0.76 -0.18 -0.16 -0.44 0.21 0.00 0.00 175.17 175.37 1u97 s SER 44 N -0.49 1.83 0.23 0.27 0.01 -1.26 -5.03 113.70 109.25 1u97 s SER 44 Ca 0.24 -0.28 -0.01 0.00 1.31 0.00 0.00 55.95 57.21 1u97 s SER 44 Cb -0.11 -0.21 0.24 0.00 0.21 0.00 0.00 66.02 66.15 1u97 s SER 44 CO -0.11 0.19 1.60 -0.08 0.41 0.00 0.00 173.24 175.25 1u97 h GLU 45 N 5.77 0.53 -0.88 12.44 4.81 -2.00 -2.69 114.58 132.56 1u97 h GLU 45 Ca -0.35 -0.27 -0.04 0.00 -0.13 0.00 0.00 59.36 58.57 1u97 h GLU 45 Cb 1.16 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.52 1u97 h GLU 45 CO 0.49 0.84 0.05 1.63 -0.73 0.00 0.00 179.01 181.29 1u97 n LYS 46 N -4.03 2.23 0.00 1.92 4.76 -1.26 -3.39 118.16 118.40 1u97 n LYS 46 Ca -0.02 -1.14 0.00 0.00 -2.87 0.00 0.00 58.31 54.28 1u97 n LYS 46 Cb 0.51 -1.71 0.00 0.00 -1.84 0.00 0.00 35.03 31.99 1u97 n LYS 46 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1u97 n LYS 48 N -0.89 0.14 -0.09 0.00 5.02 -1.19 -3.60 118.16 117.55 1u97 n LYS 48 Ca 0.00 0.12 -0.13 0.00 -2.02 0.00 0.00 58.31 56.28 1u97 n LYS 48 Cb 0.00 -1.67 -0.04 0.00 -0.02 0.00 0.00 35.03 33.30 1u97 n LYS 48 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 1u97 h GLU 49 N 0.00 0.60 -0.06 1.97 4.11 -1.83 -2.02 114.58 117.35 1u97 h GLU 49 Ca 0.00 -0.28 -0.10 0.00 0.07 0.00 0.00 59.36 59.04 1u97 h GLU 49 Cb 0.63 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 1u97 h GLU 49 CO 0.00 0.87 -0.44 0.74 0.07 0.00 0.00 179.01 180.25 1u97 h PHE 50 N 0.32 0.15 0.43 2.06 0.04 -1.89 -1.70 116.94 116.36 1u97 h PHE 50 Ca 0.05 -0.04 -0.02 0.00 2.80 0.00 0.00 57.97 60.76 1u97 h PHE 50 Cb 0.72 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.84 1u97 h PHE 50 CO 0.07 0.55 -0.21 0.82 -0.60 0.00 0.00 178.31 178.94 1u97 h ILE 51 N 0.11 0.36 -0.86 -0.55 2.04 -1.62 -0.83 117.51 116.16 1u97 h ILE 51 Ca 0.01 -0.57 0.02 0.00 1.00 0.00 0.00 64.86 65.32 1u97 h ILE 51 Cb 0.83 0.55 -0.05 0.00 -0.74 0.00 0.00 36.82 37.40 1u97 h ILE 51 CO 0.06 0.07 0.56 1.05 0.00 0.00 0.00 178.15 179.89 1u97 h GLU 52 N -1.00 1.08 -0.66 2.37 4.11 -1.40 -1.67 114.58 117.41 1u97 h GLU 52 Ca -0.06 -0.06 -0.05 0.00 0.07 0.00 0.00 59.36 59.25 1u97 h GLU 52 Cb 0.56 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 1u97 h GLU 52 CO 0.10 0.71 0.20 -0.22 0.07 0.00 0.00 179.01 179.87 1u97 h LYS 53 N 1.11 1.01 -0.55 1.06 3.64 -1.35 -2.05 116.57 119.44 1u97 h LYS 53 Ca 0.33 -0.21 -0.02 0.00 -1.27 0.00 0.00 60.65 59.49 1u97 h LYS 53 Cb -0.04 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.60 1u97 h LYS 53 CO -0.10 0.87 0.26 -0.92 -2.27 0.00 0.00 179.45 177.29 1u97 h TYR 54 N 0.97 0.79 0.01 1.91 3.20 -0.37 -1.21 116.97 122.28 1u97 h TYR 54 Ca 0.21 -0.04 -0.00 0.00 3.14 0.00 0.00 58.73 62.04 1u97 h TYR 54 Cb 0.29 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.31 1u97 h TYR 54 CO 0.02 0.61 -0.01 0.87 -1.64 0.00 0.00 178.16 178.02 1u97 h LYS 55 N 0.74 -0.02 -0.72 1.82 1.79 -1.00 -1.24 116.57 117.95 1u97 h LYS 55 Ca 0.19 0.00 0.04 0.00 -2.18 0.00 0.00 60.65 58.70 1u97 h LYS 55 Cb 0.12 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.73 1u97 h LYS 55 CO -0.02 0.04 0.44 0.93 -1.08 0.00 0.00 179.45 179.75 1u97 h GLU 56 N -0.07 0.81 -0.72 3.15 4.39 -1.25 -1.39 114.58 119.50 1u97 h GLU 56 Ca -0.00 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.65 1u97 h GLU 56 Cb 0.06 -0.18 -0.04 0.00 -0.10 0.00 0.00 28.75 28.50 1u97 h GLU 56 CO 0.00 0.53 0.45 0.00 -1.16 0.00 0.00 179.01 178.84 1u97 h MET 58 N 0.98 0.86 -0.68 0.00 2.86 -0.54 -2.04 114.93 116.37 1u97 h MET 58 Ca 0.26 -0.10 -0.08 0.00 -2.06 0.00 0.00 59.70 57.72 1u97 h MET 58 Cb -0.06 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 31.40 1u97 h MET 58 CO -0.05 0.66 0.12 -0.22 1.06 0.00 0.00 176.91 178.47 1u97 h LYS 59 N 0.86 1.12 0.22 1.72 1.63 -0.43 -2.06 116.57 119.64 1u97 h LYS 59 Ca 0.21 -0.30 -0.01 0.00 -0.85 0.00 0.00 60.65 59.71 1u97 h LYS 59 Cb 0.08 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 31.57 1u97 h LYS 59 CO -0.03 1.02 -0.11 0.78 -3.45 0.00 0.00 179.45 177.65 1u97 h GLY 60 N 1.06 -0.32 0.73 5.01 0.00 -0.57 -3.03 103.07 105.95 1u97 h GLY 60 Ca 0.21 0.12 0.03 0.00 0.00 0.00 0.00 47.33 47.69 1u97 h GLY 60 CO 0.01 -0.12 0.03 -1.82 0.00 0.00 0.00 176.54 174.64 1u97 h TYR 61 N -0.31 0.04 0.00 5.60 3.20 -1.39 -3.48 116.97 120.63 1u97 h TYR 61 Ca -0.03 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.86 1u97 h TYR 61 Cb 0.24 0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.53 1u97 h TYR 61 CO -0.07 0.00 0.00 0.41 -1.64 0.00 0.00 178.16 176.86 1u97 n GLY 62 N -1.18 0.92 3.55 1.82 0.00 -0.78 -4.94 105.19 104.59 1u97 n GLY 62 Ca -0.02 -0.54 -0.12 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.77 0.49 1.61 5.36 -1.18 -5.02 117.98 118.47 1u97 s PHE 63 Ca 0.00 1.79 0.36 0.00 -0.96 0.00 0.00 56.93 58.12 1u97 s PHE 63 Cb 0.00 0.32 1.89 0.00 -0.34 0.00 0.00 43.02 44.89 1u97 s PHE 63 CO 0.00 -0.38 2.21 1.49 -1.46 0.00 0.00 175.22 177.08 1u97 h GLU 64 N 5.59 0.00 -5.81 10.12 4.81 -1.98 -3.41 114.58 123.90 1u97 h GLU 64 Ca -0.29 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 58.75 1u97 h GLU 64 Cb 1.18 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.57 1u97 h GLU 64 CO 0.12 0.03 -0.97 1.55 -0.73 0.00 0.00 179.01 179.01 1u97 n VAL 65 N -3.37 -2.56 0.65 0.32 3.14 -1.26 -4.86 118.33 110.38 1u97 n VAL 65 Ca -0.02 0.24 0.13 0.00 -2.96 0.00 0.00 64.34 61.72 1u97 n VAL 65 Cb 0.16 -2.82 0.37 0.00 -1.06 0.00 0.00 33.84 30.48 1u97 n VAL 65 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 1u97 n PRO 66 N 0.47 0.25 -1.87 1.45 -0.04 -1.26 -4.84 135.00 129.16 1u97 n PRO 66 Ca -0.04 0.17 -0.42 0.00 -0.04 0.00 0.00 63.50 63.17 1u97 n PRO 66 Cb 0.52 -1.75 -0.03 0.00 -0.04 0.00 0.00 33.50 32.20 1u97 n PRO 66 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1u97 s SER 67 N -4.34 6.58 -0.25 3.54 0.01 -1.26 -4.97 113.70 113.01 1u97 s SER 67 Ca 0.10 2.42 -0.03 0.00 1.31 0.00 0.00 55.95 59.75 1u97 s SER 67 Cb 0.13 -2.53 0.14 0.00 0.21 0.00 0.00 66.02 63.97 1u97 s SER 67 CO 0.62 -0.97 0.43 0.00 0.41 0.00 0.00 173.24 173.73 1u97 s ALA 68 N 4.14 -1.37 0.00 1.44 0.00 -1.26 -5.13 121.76 119.58 1u97 s ALA 68 Ca 0.79 1.18 0.00 0.00 0.00 0.00 0.00 51.96 53.93 1u97 s ALA 68 Cb -0.37 -1.76 0.00 0.00 0.00 0.00 0.00 23.12 20.99 1u97 s ALA 68 CO 0.34 -1.24 0.00 0.09 0.00 0.00 0.00 175.76 174.96