#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 4.96 -0.20 1.12 -4.23 -1.26 -4.92 115.64 111.12 1u97 s THR 2 Ca 0.00 1.29 0.22 0.00 -1.18 0.00 0.00 61.69 62.02 1u97 s THR 2 Cb 0.00 -3.99 -0.22 0.00 1.34 0.00 0.00 72.50 69.62 1u97 s THR 2 CO 0.00 0.04 0.70 1.21 -0.54 0.00 0.00 174.62 176.03 1u97 n GLU 3 N 5.46 0.57 -2.62 3.99 4.07 -1.26 -5.07 120.64 125.78 1u97 n GLU 3 Ca 0.01 -0.09 -0.03 0.00 -0.06 0.00 0.00 57.16 56.99 1u97 n GLU 3 Cb 0.49 -1.60 -0.03 0.00 -0.06 0.00 0.00 31.44 30.24 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 -2.29 -9.80 -0.10 6.31 -2.24 -1.26 -4.98 114.28 99.92 1u97 n THR 4 Ca -0.02 2.13 -0.17 0.00 -2.27 0.00 0.00 64.05 63.72 1u97 n THR 4 Cb 0.54 -5.33 -0.13 0.00 -2.10 0.00 0.00 70.33 63.31 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 1.94 1.69 -2.73 3.42 8.00 -1.26 -5.08 116.55 122.53 1u97 n ASP 5 Ca -0.24 -0.04 -0.02 0.00 0.71 0.00 0.00 54.79 55.20 1u97 n ASP 5 Cb 0.37 -0.27 -0.01 0.00 -0.02 0.00 0.00 41.12 41.18 1u97 n ASP 5 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1u97 n LYS 6 N -3.22 -3.54 0.00 -1.24 4.76 -1.26 -5.00 118.16 108.67 1u97 n LYS 6 Ca -0.41 2.81 0.00 0.00 -2.87 0.00 0.00 58.31 57.84 1u97 n LYS 6 Cb 1.03 -4.89 0.00 0.00 -1.84 0.00 0.00 35.03 29.32 1u97 n LYS 6 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 1u97 n LYS 7 N 1.07 0.00 -3.64 1.97 2.85 -1.26 -5.09 118.16 114.06 1u97 n LYS 7 Ca -0.11 -0.16 -0.10 0.00 -1.05 0.00 0.00 58.31 56.88 1u97 n LYS 7 Cb 0.21 -0.42 -0.07 0.00 -0.65 0.00 0.00 35.03 34.11 1u97 n LYS 7 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 177.40 176.21 1u97 s GLN 8 N 0.00 0.74 -0.07 -1.58 2.00 -1.26 -5.14 119.66 114.35 1u97 s GLN 8 Ca 0.00 1.03 -0.30 0.00 -2.00 0.00 0.00 55.36 54.09 1u97 s GLN 8 Cb 0.00 0.28 -0.04 0.00 0.80 0.00 0.00 33.01 34.05 1u97 s GLN 8 CO 0.00 -0.11 1.33 -1.21 -0.50 0.00 0.00 175.29 174.80 1u97 s GLU 9 N 0.87 4.27 0.18 1.67 0.41 -1.26 -5.00 118.70 119.84 1u97 s GLU 9 Ca -0.04 1.82 -0.24 0.00 -0.41 0.00 0.00 54.97 56.09 1u97 s GLU 9 Cb -0.05 -3.67 -0.08 0.00 -1.78 0.00 0.00 34.13 28.55 1u97 s GLU 9 CO -0.08 -0.61 0.78 -0.65 -0.49 0.00 0.00 175.26 174.20 1u97 s GLN 10 N 2.87 4.52 0.00 1.61 -0.21 -1.26 -4.88 119.66 122.32 1u97 s GLN 10 Ca 0.60 1.12 0.00 0.00 0.02 0.00 0.00 55.36 57.10 1u97 s GLN 10 Cb -0.27 -3.18 0.00 0.00 1.00 0.00 0.00 33.01 30.56 1u97 s GLN 10 CO 0.22 0.53 0.00 -1.91 -2.12 0.00 0.00 175.29 172.01 1u97 n GLU 11 N 1.41 0.00 -0.60 2.91 2.13 -1.26 -5.17 120.64 120.07 1u97 n GLU 11 Ca -0.05 0.00 0.08 0.00 0.66 0.00 0.00 57.16 57.85 1u97 n GLU 11 Cb 0.49 -0.06 -0.02 0.00 0.27 0.00 0.00 31.44 32.12 1u97 n GLU 11 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1u97 n ASN 12 N -2.07 -6.54 -1.07 4.31 5.03 -1.26 -4.97 115.26 108.69 1u97 n ASN 12 Ca 0.00 0.64 0.05 0.00 0.87 0.00 0.00 54.58 56.14 1u97 n ASN 12 Cb 0.00 -1.83 -0.01 0.00 -1.02 0.00 0.00 39.78 36.92 1u97 n ASN 12 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 1u97 n HIS 13 N -2.77 -2.40 0.00 3.10 8.25 -1.26 -4.73 115.22 115.41 1u97 n HIS 13 Ca 0.00 0.49 0.00 0.00 -0.26 0.00 0.00 57.72 57.95 1u97 n HIS 13 Cb 0.27 -0.70 0.00 0.00 1.12 0.00 0.00 29.99 30.69 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 -0.62 0.00 -3.22 -1.41 0.00 -1.26 -4.08 120.51 109.92 1u97 n ALA 14 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1u97 n ALA 14 Cb 0.18 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.60 1u97 n ALA 14 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1u97 s GLU 15 N 0.00 0.50 0.00 0.00 2.56 -1.26 -4.99 118.70 115.50 1u97 s GLU 15 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 54.97 55.54 1u97 s GLU 15 Cb 0.00 0.09 0.00 0.00 2.00 0.00 0.00 34.13 36.22 1u97 s GLU 15 CO 0.00 -0.87 0.55 0.00 -0.56 0.00 0.00 175.26 174.38 1u97 h GLU 17 N 0.00 0.21 -6.47 0.00 5.08 -1.94 -3.46 114.58 108.00 1u97 h GLU 17 Ca 0.00 -0.37 -0.53 0.00 -1.00 0.00 0.00 59.36 57.46 1u97 h GLU 17 Cb 1.10 0.14 0.01 0.00 0.50 0.00 0.00 28.75 30.50 1u97 h GLU 17 CO 0.00 1.18 0.80 -0.51 -1.00 0.00 0.00 179.01 179.47 1u97 s ASP 18 N -7.02 6.81 -0.24 1.42 1.01 -1.26 -5.01 116.67 112.37 1u97 s ASP 18 Ca -0.23 2.27 -0.00 0.00 0.71 0.00 0.00 52.55 55.29 1u97 s ASP 18 Cb 0.06 -2.57 0.07 0.00 1.01 0.00 0.00 42.92 41.49 1u97 s ASP 18 CO 0.74 -0.71 0.00 -0.75 0.21 0.00 0.00 175.17 174.66 1u97 s LYS 19 N 1.77 1.19 -0.09 8.23 2.47 -1.26 -5.10 119.74 126.94 1u97 s LYS 19 Ca 0.65 -0.90 -0.32 0.00 -1.56 0.00 0.00 55.97 53.84 1u97 s LYS 19 Cb -0.35 -2.39 -0.10 0.00 -1.46 0.00 0.00 37.83 33.53 1u97 s LYS 19 CO 0.29 -0.70 2.00 -2.30 0.16 0.00 0.00 175.35 174.80 1u97 n PRO 20 N 4.78 2.30 -3.55 4.03 -0.02 -1.26 -4.95 135.00 136.32 1u97 n PRO 20 Ca -0.08 0.80 -0.29 0.00 -2.02 0.00 0.00 63.50 61.91 1u97 n PRO 20 Cb 0.44 -2.86 -0.14 0.00 -0.02 0.00 0.00 33.50 30.92 1u97 n PRO 20 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1u97 s LYS 21 N 4.80 0.40 0.40 -0.52 2.20 -1.26 -5.14 119.74 120.62 1u97 s LYS 21 Ca 0.94 -0.88 -0.25 0.00 -0.36 0.00 0.00 55.97 55.42 1u97 s LYS 21 Cb -0.55 -1.36 -0.08 0.00 -1.51 0.00 0.00 37.83 34.33 1u97 s LYS 21 CO 0.45 -1.07 1.17 -1.25 -0.36 0.00 0.00 175.35 174.29 1u97 s PRO 22 N 1.69 4.06 0.21 4.03 0.04 -1.26 -4.93 135.00 138.83 1u97 s PRO 22 Ca 0.12 1.85 0.26 0.00 0.04 0.00 0.00 61.00 63.27 1u97 s PRO 22 Cb -0.18 -2.68 0.85 0.00 0.04 0.00 0.00 34.50 32.52 1u97 s PRO 22 CO -0.24 -0.32 1.77 0.00 0.04 0.00 0.00 177.00 178.26 1u97 n VAL 25 N 5.31 0.21 -0.41 0.00 0.31 -1.26 -3.72 118.33 118.76 1u97 n VAL 25 Ca -0.05 -0.16 0.03 0.00 -0.01 0.00 0.00 64.34 64.15 1u97 n VAL 25 Cb 0.48 -0.03 0.28 0.00 -0.91 0.00 0.00 33.84 33.66 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 2.69 -0.18 0.07 0.00 3.64 -1.99 0.14 116.57 120.94 1u97 h LYS 27 Ca 0.05 0.01 -0.24 0.00 -1.27 0.00 0.00 60.65 59.20 1u97 h LYS 27 Cb 1.68 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 33.53 1u97 h LYS 27 CO 0.41 -0.12 -1.09 -1.00 -2.27 0.00 0.00 179.45 175.38 1u97 h PRO 28 N -0.19 0.22 0.00 1.90 0.13 -1.92 -3.26 132.00 128.88 1u97 h PRO 28 Ca 0.14 -0.32 -0.02 0.00 -0.87 0.00 0.00 66.00 64.93 1u97 h PRO 28 Cb 0.40 0.11 -0.00 0.00 0.13 0.00 0.00 31.00 31.65 1u97 h PRO 28 CO -0.37 1.11 -0.09 0.93 -0.23 0.00 0.00 178.00 179.36 1u97 h GLU 29 N 0.08 0.00 -0.25 0.86 4.39 -1.76 -1.79 114.58 116.11 1u97 h GLU 29 Ca -0.09 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.46 1u97 h GLU 29 Cb 1.80 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.45 1u97 h GLU 29 CO 0.17 0.09 -0.45 -0.22 -1.16 0.00 0.00 179.01 177.44 1u97 h LYS 30 N 0.00 0.74 -0.37 2.33 3.64 -1.01 -1.61 116.57 120.29 1u97 h LYS 30 Ca -0.00 -0.47 -0.15 0.00 -1.27 0.00 0.00 60.65 58.76 1u97 h LYS 30 Cb 0.20 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 1u97 h LYS 30 CO 0.01 1.09 -0.36 1.49 -2.27 0.00 0.00 179.45 179.41 1u97 h GLU 31 N 0.47 0.90 -0.00 1.90 4.81 -1.53 -1.88 114.58 119.25 1u97 h GLU 31 Ca 0.01 -0.47 -0.00 0.00 -0.13 0.00 0.00 59.36 58.77 1u97 h GLU 31 Cb 1.05 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.45 1u97 h GLU 31 CO 0.10 1.12 -0.00 0.93 -0.73 0.00 0.00 179.01 180.44 1u97 h GLU 32 N 0.71 0.01 -0.23 1.92 5.08 -1.36 -1.77 114.58 118.94 1u97 h GLU 32 Ca 0.06 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1u97 h GLU 32 Cb 0.95 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 1u97 h GLU 32 CO 0.09 0.32 0.14 -0.09 -1.00 0.00 0.00 179.01 178.47 1u97 h ARG 33 N -0.30 0.29 -0.08 2.33 2.43 -1.33 -1.74 114.38 115.97 1u97 h ARG 33 Ca 0.00 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.18 1u97 h ARG 33 Cb 0.31 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.77 1u97 h ARG 33 CO 0.00 0.19 -0.08 0.22 -1.51 0.00 0.00 179.97 178.79 1u97 h ASP 34 N 0.30 -0.24 -0.36 -3.80 3.58 -1.34 -1.19 116.42 113.36 1u97 h ASP 34 Ca 0.09 0.05 0.06 0.00 0.42 0.00 0.00 57.03 57.65 1u97 h ASP 34 Cb -0.02 0.12 -0.06 0.00 1.72 0.00 0.00 39.33 41.09 1u97 h ASP 34 CO -0.03 -0.11 -0.01 0.74 -2.88 0.00 0.00 179.24 176.96 1u97 h THR 35 N -0.10 0.73 0.10 2.25 2.02 -1.14 0.15 112.91 116.92 1u97 h THR 35 Ca 0.06 -0.03 0.02 0.00 0.77 0.00 0.00 66.41 67.22 1u97 h THR 35 Cb 0.18 0.63 -0.03 0.00 -1.74 0.00 0.00 68.15 67.19 1u97 h THR 35 CO -0.14 0.02 -0.22 0.00 0.37 0.00 0.00 175.52 175.55 1u97 h ILE 37 N -0.40 0.00 0.02 0.00 2.04 -0.83 0.28 117.51 118.63 1u97 h ILE 37 Ca 0.03 -0.19 -0.25 0.00 1.00 0.00 0.00 64.86 65.46 1u97 h ILE 37 Cb 0.43 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.56 1u97 h ILE 37 CO -0.13 0.00 -1.26 0.25 0.00 0.00 0.00 178.15 177.01 1u97 h LEU 38 N 0.00 0.07 -1.05 1.44 5.85 0.87 0.12 115.31 122.61 1u97 h LEU 38 Ca 0.00 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.63 1u97 h LEU 38 Cb 0.20 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.21 1u97 h LEU 38 CO 0.00 1.07 -0.35 0.49 -0.34 0.00 0.00 178.44 179.31 1u97 n PHE 39 N -3.29 0.00 0.00 1.25 3.72 -0.14 -4.56 117.46 114.45 1u97 n PHE 39 Ca -0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 1u97 n PHE 39 Cb 0.99 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.53 1u97 n PHE 39 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1u97 n ASN 40 N 0.08 3.80 0.00 4.37 3.02 0.92 -5.07 115.26 122.38 1u97 n ASN 40 Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.63 1u97 n ASN 40 Cb 0.41 0.18 0.00 0.00 -0.61 0.00 0.00 39.78 39.76 1u97 n ASN 40 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1u97 n GLY 41 N 2.99 1.30 3.48 7.41 0.00 0.41 -4.94 105.19 115.84 1u97 n GLY 41 Ca 0.00 -1.80 -0.30 0.00 0.00 0.00 0.00 46.02 43.93 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 1.24 -3.14 -0.84 1.61 10.64 -1.26 -3.75 117.38 121.89 1u97 n GLN 42 Ca 0.00 -1.74 0.00 0.00 -1.83 0.00 0.00 57.00 53.43 1u97 n GLN 42 Cb 0.00 -1.63 0.00 0.00 -0.86 0.00 0.00 30.24 27.75 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 -4.86 -3.23 -4.67 2.61 2.03 -1.26 -4.92 116.55 102.25 1u97 n ASP 43 Ca 0.15 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 55.04 1u97 n ASP 43 Cb 0.58 -2.56 -0.03 0.00 -0.72 0.00 0.00 41.12 38.40 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 -2.08 6.68 -0.07 1.67 1.04 -1.25 -4.88 113.70 114.82 1u97 s SER 44 Ca 0.00 2.27 0.17 0.00 0.48 0.00 0.00 55.95 58.88 1u97 s SER 44 Cb 0.00 -2.54 0.59 0.00 0.10 0.00 0.00 66.02 64.17 1u97 s SER 44 CO 0.00 -0.89 1.51 -0.62 0.98 0.00 0.00 173.24 174.22 1u97 n GLU 45 N 6.53 3.24 0.00 4.02 1.02 -1.26 -4.10 120.64 130.10 1u97 n GLU 45 Ca 0.16 -2.65 0.00 0.00 -0.02 0.00 0.00 57.16 54.65 1u97 n GLU 45 Cb 0.42 -1.68 0.00 0.00 -0.02 0.00 0.00 31.44 30.17 1u97 n GLU 45 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1u97 n LYS 46 N 0.94 -0.38 -0.17 3.49 0.00 -1.26 -4.68 118.16 116.09 1u97 n LYS 46 Ca 0.22 -0.45 0.03 0.00 -0.00 0.00 0.00 58.31 58.10 1u97 n LYS 46 Cb 0.73 -0.85 0.04 0.00 -0.00 0.00 0.00 35.03 34.94 1u97 n LYS 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1u97 n LYS 48 N -0.50 0.02 -0.09 0.00 5.02 -1.26 -3.04 118.16 118.31 1u97 n LYS 48 Ca 0.04 0.34 -0.06 0.00 -2.02 0.00 0.00 58.31 56.61 1u97 n LYS 48 Cb 0.55 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.06 1u97 n LYS 48 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1u97 h GLU 49 N 0.00 0.07 -0.44 1.97 4.81 -1.95 -0.20 114.58 118.85 1u97 h GLU 49 Ca 0.00 -0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.15 1u97 h GLU 49 Cb 0.13 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 1u97 h GLU 49 CO 0.00 0.05 -0.03 0.74 -0.73 0.00 0.00 179.01 179.03 1u97 h PHE 50 N 0.07 0.78 -0.52 0.92 0.04 -1.96 -1.87 116.94 114.41 1u97 h PHE 50 Ca 0.15 -0.11 -0.09 0.00 2.80 0.00 0.00 57.97 60.72 1u97 h PHE 50 Cb 0.21 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 38.13 1u97 h PHE 50 CO -0.24 0.75 -0.03 0.82 -0.60 0.00 0.00 178.31 179.00 1u97 h ILE 51 N 0.68 1.27 -0.17 -0.55 2.04 -1.55 -0.70 117.51 118.53 1u97 h ILE 51 Ca 0.13 -1.15 -0.04 0.00 1.00 0.00 0.00 64.86 64.80 1u97 h ILE 51 Cb 0.47 0.96 -0.00 0.00 -0.74 0.00 0.00 36.82 37.50 1u97 h ILE 51 CO 0.02 0.41 -0.05 -0.33 0.00 0.00 0.00 178.15 178.20 1u97 h GLU 52 N 0.82 0.33 -0.20 2.37 4.39 -0.89 -1.28 114.58 120.12 1u97 h GLU 52 Ca 0.14 -0.13 -0.05 0.00 0.34 0.00 0.00 59.36 59.67 1u97 h GLU 52 Cb 0.57 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.20 1u97 h GLU 52 CO 0.03 0.62 -0.08 -0.22 -1.16 0.00 0.00 179.01 178.20 1u97 h LYS 53 N 0.03 0.31 -0.13 2.33 1.63 -1.31 -2.05 116.57 117.38 1u97 h LYS 53 Ca 0.04 -0.06 -0.08 0.00 -0.85 0.00 0.00 60.65 59.69 1u97 h LYS 53 Cb 0.50 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.09 1u97 h LYS 53 CO 0.02 0.40 -0.25 -0.92 -3.45 0.00 0.00 179.45 175.25 1u97 h TYR 54 N 0.29 0.49 -0.35 1.91 3.20 -0.99 -0.94 116.97 120.58 1u97 h TYR 54 Ca 0.06 -0.18 0.01 0.00 3.14 0.00 0.00 58.73 61.77 1u97 h TYR 54 Cb 0.33 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.49 1u97 h TYR 54 CO 0.01 0.87 0.21 -0.22 -1.64 0.00 0.00 178.16 177.39 1u97 h LYS 55 N -0.02 0.42 -0.27 1.82 3.64 -0.99 -1.11 116.57 120.05 1u97 h LYS 55 Ca 0.01 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.30 1u97 h LYS 55 Cb 0.84 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.55 1u97 h LYS 55 CO 0.06 0.28 -0.07 0.93 -2.27 0.00 0.00 179.45 178.38 1u97 h GLU 56 N 0.44 0.53 -0.78 1.90 4.39 -1.43 -1.20 114.58 118.43 1u97 h GLU 56 Ca 0.14 -0.20 0.10 0.00 0.34 0.00 0.00 59.36 59.73 1u97 h GLU 56 Cb -0.01 -0.03 -0.07 0.00 -0.10 0.00 0.00 28.75 28.53 1u97 h GLU 56 CO -0.05 0.73 0.42 0.00 -1.16 0.00 0.00 179.01 178.95 1u97 h MET 58 N 0.70 0.47 0.00 0.00 1.85 -1.12 -2.78 114.93 114.04 1u97 h MET 58 Ca 0.38 -0.34 0.00 0.00 -0.61 0.00 0.00 59.70 59.13 1u97 h MET 58 Cb 0.39 0.06 0.00 0.00 0.43 0.00 0.00 31.60 32.47 1u97 h MET 58 CO -0.26 0.96 0.00 -0.22 -0.40 0.00 0.00 176.91 176.98 1u97 h LYS 59 N 0.34 0.00 -0.11 0.39 3.64 0.01 -3.23 116.57 117.62 1u97 h LYS 59 Ca -0.01 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.41 1u97 h LYS 59 Cb 1.19 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.96 1u97 h LYS 59 CO 0.11 0.00 -0.22 0.78 -2.27 0.00 0.00 179.45 177.85 1u97 h GLY 60 N 2.68 -0.23 1.59 5.01 0.00 -0.25 -1.69 103.07 110.18 1u97 h GLY 60 Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.60 1u97 h GLY 60 CO 0.00 -0.19 -0.22 1.58 0.00 0.00 0.00 176.54 177.71 1u97 n TYR 61 N -5.35 0.14 0.00 5.60 4.11 -1.23 -4.95 117.16 115.48 1u97 n TYR 61 Ca -0.03 0.04 0.00 0.00 -0.00 0.00 0.00 57.90 57.91 1u97 n TYR 61 Cb 0.27 -0.48 0.00 0.00 -0.00 0.00 0.00 39.34 39.13 1u97 n TYR 61 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1u97 n GLY 62 N 1.47 4.21 3.76 -7.48 0.00 -0.64 -5.13 105.19 101.37 1u97 n GLY 62 Ca 0.06 -0.44 -0.37 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.81 2.50 0.35 1.61 5.36 -1.25 -4.06 117.98 121.68 1u97 s PHE 63 Ca 0.00 1.47 0.00 0.00 -0.96 0.00 0.00 56.93 57.44 1u97 s PHE 63 Cb 0.00 -3.57 0.00 0.00 -0.34 0.00 0.00 43.02 39.11 1u97 s PHE 63 CO 0.00 -2.25 0.00 -1.91 -1.46 0.00 0.00 175.22 169.60 1u97 n GLU 64 N -1.03 0.00 -1.72 10.12 0.00 -1.26 -5.03 120.64 121.71 1u97 n GLU 64 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 57.16 56.84 1u97 n GLU 64 Cb 0.47 0.00 -0.02 0.00 0.00 0.00 0.00 31.44 31.89 1u97 n GLU 64 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.13 178.68 1u97 n VAL 65 N -3.23 0.54 -2.18 6.31 3.14 -1.26 -4.95 118.33 116.70 1u97 n VAL 65 Ca 0.00 -0.14 -0.36 0.00 -2.96 0.00 0.00 64.34 60.89 1u97 n VAL 65 Cb 0.00 -1.91 0.01 0.00 -1.06 0.00 0.00 33.84 30.88 1u97 n VAL 65 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1u97 s PRO 66 N 0.26 3.32 0.00 1.45 0.04 -1.26 -4.95 135.00 133.86 1u97 s PRO 66 Ca 0.70 1.72 0.00 0.00 0.04 0.00 0.00 61.00 63.46 1u97 s PRO 66 Cb -0.52 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 31.95 1u97 s PRO 66 CO 0.41 -0.90 0.00 0.43 0.04 0.00 0.00 177.00 176.98 1u97 n SER 67 N -1.22 1.51 0.00 6.66 7.64 -1.26 -4.96 113.62 121.99 1u97 n SER 67 Ca 0.11 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.99 1u97 n SER 67 Cb 0.50 0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.93 1u97 n SER 67 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1u97 n ALA 68 N -0.69 2.17 1.23 -0.43 0.00 -1.26 -5.33 120.51 116.21 1u97 n ALA 68 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 1u97 n ALA 68 Cb 0.07 0.08 0.58 0.00 0.00 0.00 0.00 19.45 20.18 1u97 n ALA 68 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79