#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 1.13 -4.72 2.03 1.35 -2.15 -3.50 112.91 107.05 1u97 h THR 2 Ca 0.00 -2.60 0.00 0.00 -0.55 0.00 0.00 66.41 63.26 1u97 h THR 2 Cb 0.00 2.92 -0.07 0.00 -1.73 0.00 0.00 68.15 69.27 1u97 h THR 2 CO 0.00 0.83 -1.24 -0.62 -0.25 0.00 0.00 175.52 174.23 1u97 n GLU 3 N -3.69 -4.65 -4.44 4.72 1.02 -1.26 -5.06 120.64 107.29 1u97 n GLU 3 Ca -0.21 3.46 -0.21 0.00 -0.02 0.00 0.00 57.16 60.18 1u97 n GLU 3 Cb 1.08 -4.69 -0.14 0.00 -0.02 0.00 0.00 31.44 27.67 1u97 n GLU 3 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1u97 s THR 4 N -0.60 1.14 0.00 2.62 -4.23 -1.26 -5.02 115.64 108.29 1u97 s THR 4 Ca -0.14 -0.90 0.00 0.00 -1.18 0.00 0.00 61.69 59.46 1u97 s THR 4 Cb 0.01 -1.01 0.00 0.00 1.34 0.00 0.00 72.50 72.84 1u97 s THR 4 CO 0.39 0.09 0.00 -0.67 -0.54 0.00 0.00 174.62 173.89 1u97 n ASP 5 N 2.11 2.24 -0.53 3.99 -0.08 -1.26 -5.01 116.55 118.01 1u97 n ASP 5 Ca -0.17 0.00 -0.07 0.00 -1.51 0.00 0.00 54.79 53.04 1u97 n ASP 5 Cb 0.55 0.23 -0.03 0.00 2.34 0.00 0.00 41.12 44.21 1u97 n ASP 5 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1u97 n LYS 6 N -1.16 -1.82 -0.80 -0.67 5.02 -1.26 -4.71 118.16 112.76 1u97 n LYS 6 Ca 0.00 0.73 0.11 0.00 -2.02 0.00 0.00 58.31 57.13 1u97 n LYS 6 Cb 0.22 -5.16 -0.03 0.00 -0.02 0.00 0.00 35.03 30.04 1u97 n LYS 6 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1u97 n LYS 7 N -0.14 -1.62 -0.00 1.97 4.81 -1.26 -4.61 118.16 117.30 1u97 n LYS 7 Ca -0.07 1.07 -0.01 0.00 -0.87 0.00 0.00 58.31 58.42 1u97 n LYS 7 Cb 0.55 -1.98 -0.01 0.00 0.02 0.00 0.00 35.03 33.62 1u97 n LYS 7 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 1u97 h GLN 8 N 0.00 -0.09 0.00 1.64 4.20 -2.06 -3.45 115.11 115.35 1u97 h GLN 8 Ca 0.02 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1u97 h GLN 8 Cb 0.73 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.53 1u97 h GLN 8 CO 0.01 -0.06 -0.16 -1.91 -0.67 0.00 0.00 178.83 176.03 1u97 n GLU 9 N -4.46 3.95 -0.38 1.46 4.07 -1.26 -5.15 120.64 118.87 1u97 n GLU 9 Ca -0.01 0.00 0.05 0.00 -0.06 0.00 0.00 57.16 57.14 1u97 n GLU 9 Cb 0.04 -0.49 -0.01 0.00 -0.06 0.00 0.00 31.44 30.92 1u97 n GLU 9 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 1u97 n GLN 10 N -0.29 -0.77 -0.10 5.31 6.02 -1.26 -4.63 117.38 121.65 1u97 n GLN 10 Ca 0.00 0.51 -0.23 0.00 -0.01 0.00 0.00 57.00 57.27 1u97 n GLN 10 Cb 0.00 -0.94 -0.11 0.00 1.02 0.00 0.00 30.24 30.20 1u97 n GLN 10 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1u97 n GLU 11 N -2.55 0.58 -3.96 -1.09 1.02 -1.26 -4.93 120.64 108.45 1u97 n GLU 11 Ca 0.00 0.49 -0.36 0.00 -0.02 0.00 0.00 57.16 57.28 1u97 n GLU 11 Cb 0.18 -1.69 -0.06 0.00 -0.02 0.00 0.00 31.44 29.84 1u97 n GLU 11 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1u97 s ASN 12 N -6.99 6.19 0.05 1.62 4.22 -1.26 -5.10 114.94 113.67 1u97 s ASN 12 Ca -0.30 0.38 -0.23 0.00 -2.14 0.00 0.00 52.86 50.56 1u97 s ASN 12 Cb 0.08 -1.94 0.05 0.00 1.28 0.00 0.00 41.25 40.72 1u97 s ASN 12 CO 0.58 0.36 0.54 -1.38 -2.04 0.00 0.00 177.10 175.16 1u97 s HIS 13 N -1.09 -0.45 -0.28 1.54 -3.43 -1.26 -5.11 115.29 105.21 1u97 s HIS 13 Ca 0.18 0.50 0.01 0.00 -0.80 0.00 0.00 55.06 54.95 1u97 s HIS 13 Cb -0.12 0.36 0.16 0.00 -1.43 0.00 0.00 32.58 31.55 1u97 s HIS 13 CO 0.08 -0.66 0.43 0.00 -2.00 0.00 0.00 174.74 172.59 1u97 s ALA 14 N -2.48 -1.35 -0.15 -1.38 0.00 -1.26 -5.14 121.76 110.01 1u97 s ALA 14 Ca -0.05 0.54 0.02 0.00 0.00 0.00 0.00 51.96 52.46 1u97 s ALA 14 Cb -0.01 -2.04 0.01 0.00 0.00 0.00 0.00 23.12 21.08 1u97 s ALA 14 CO -0.02 -1.63 -0.20 -1.21 0.00 0.00 0.00 175.76 172.70 1u97 s GLU 15 N 2.59 3.08 -0.12 0.00 8.01 -1.26 -5.12 118.70 125.88 1u97 s GLU 15 Ca 0.11 -0.82 -0.05 0.00 0.01 0.00 0.00 54.97 54.22 1u97 s GLU 15 Cb -0.13 -2.50 -0.04 0.00 -4.31 0.00 0.00 34.13 27.15 1u97 s GLU 15 CO -0.26 -0.02 0.08 0.00 0.01 0.00 0.00 175.26 175.06 1u97 s GLU 17 N -0.72 2.02 -0.04 0.00 2.56 -1.26 -5.13 118.70 116.12 1u97 s GLU 17 Ca 0.12 -0.64 0.02 0.00 0.00 0.00 0.00 54.97 54.47 1u97 s GLU 17 Cb -0.12 -1.69 0.01 0.00 2.00 0.00 0.00 34.13 34.33 1u97 s GLU 17 CO 0.03 0.21 -0.09 0.16 -0.56 0.00 0.00 175.26 175.01 1u97 s ASP 18 N 0.16 1.27 -0.33 -1.70 1.47 -1.26 -5.11 116.67 111.17 1u97 s ASP 18 Ca -0.08 -0.20 -0.00 0.00 1.18 0.00 0.00 52.55 53.46 1u97 s ASP 18 Cb -0.13 -0.49 0.14 0.00 -0.34 0.00 0.00 42.92 42.10 1u97 s ASP 18 CO 0.03 0.02 0.26 -0.75 0.68 0.00 0.00 175.17 175.41 1u97 s LYS 19 N 0.51 0.46 1.09 2.11 2.20 -1.26 -5.15 119.74 119.70 1u97 s LYS 19 Ca -0.09 -0.81 -0.16 0.00 -0.36 0.00 0.00 55.97 54.56 1u97 s LYS 19 Cb -0.12 -0.99 0.23 0.00 -1.51 0.00 0.00 37.83 35.44 1u97 s LYS 19 CO 0.01 -1.13 1.12 -1.25 -0.36 0.00 0.00 175.35 173.74 1u97 s PRO 20 N 1.63 -0.30 -0.51 4.03 0.04 -1.26 -5.05 135.00 133.57 1u97 s PRO 20 Ca 0.14 0.14 0.04 0.00 0.04 0.00 0.00 61.00 61.36 1u97 s PRO 20 Cb -0.18 -1.69 0.16 0.00 0.04 0.00 0.00 34.50 32.84 1u97 s PRO 20 CO -0.14 -3.14 0.37 0.21 0.04 0.00 0.00 177.00 174.33 1u97 s LYS 21 N -5.27 1.50 0.49 4.56 2.20 -1.26 -5.12 119.74 116.84 1u97 s LYS 21 Ca 0.68 -2.48 -0.19 0.00 -0.36 0.00 0.00 55.97 53.63 1u97 s LYS 21 Cb -0.13 -2.28 -0.08 0.00 -1.51 0.00 0.00 37.83 33.83 1u97 s LYS 21 CO 0.56 -1.30 1.00 -1.25 -0.36 0.00 0.00 175.35 174.00 1u97 s PRO 22 N -0.35 3.88 -0.03 4.03 0.04 -1.26 -5.03 135.00 136.28 1u97 s PRO 22 Ca 0.26 1.17 -0.01 0.00 0.04 0.00 0.00 61.00 62.46 1u97 s PRO 22 Cb -0.06 -2.12 -0.01 0.00 0.04 0.00 0.00 34.50 32.36 1u97 s PRO 22 CO -0.14 -0.34 0.12 0.00 0.04 0.00 0.00 177.00 176.68 1u97 n VAL 25 N -1.35 -1.77 -1.25 0.00 0.31 -1.26 -4.83 118.33 108.18 1u97 n VAL 25 Ca 0.00 1.06 0.09 0.00 -0.01 0.00 0.00 64.34 65.48 1u97 n VAL 25 Cb 0.00 -1.71 0.15 0.00 -0.91 0.00 0.00 33.84 31.37 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 0.26 -0.27 0.00 0.00 1.63 -2.02 -2.68 116.57 113.48 1u97 h LYS 27 Ca -0.00 0.02 -0.13 0.00 -0.85 0.00 0.00 60.65 59.68 1u97 h LYS 27 Cb 1.03 0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 32.70 1u97 h LYS 27 CO 0.00 -0.16 -0.63 -1.00 -3.45 0.00 0.00 179.45 174.20 1u97 h PRO 28 N -0.30 0.00 -0.73 1.90 0.13 -1.95 -3.30 132.00 127.74 1u97 h PRO 28 Ca -0.03 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.12 1u97 h PRO 28 Cb 0.23 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.32 1u97 h PRO 28 CO 0.05 0.63 0.47 0.93 -0.23 0.00 0.00 178.00 179.85 1u97 h GLU 29 N 0.00 0.91 -0.13 0.86 3.07 -1.85 -1.44 114.58 116.00 1u97 h GLU 29 Ca -0.01 -0.05 -0.00 0.00 -0.50 0.00 0.00 59.36 58.80 1u97 h GLU 29 Cb 1.41 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 29.11 1u97 h GLU 29 CO 0.08 0.60 0.08 -0.22 -1.40 0.00 0.00 179.01 178.15 1u97 h LYS 30 N 0.94 0.18 -0.86 2.33 3.64 -1.56 -1.33 116.57 119.91 1u97 h LYS 30 Ca 0.29 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.66 1u97 h LYS 30 Cb -0.03 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 31.71 1u97 h LYS 30 CO -0.09 0.18 0.57 0.93 -2.27 0.00 0.00 179.45 178.77 1u97 h GLU 31 N 0.14 1.11 -0.63 1.90 4.39 -1.62 -1.81 114.58 118.06 1u97 h GLU 31 Ca 0.05 -0.07 -0.04 0.00 0.34 0.00 0.00 59.36 59.64 1u97 h GLU 31 Cb 0.05 -0.25 -0.03 0.00 -0.10 0.00 0.00 28.75 28.42 1u97 h GLU 31 CO -0.01 0.74 0.25 0.93 -1.16 0.00 0.00 179.01 179.76 1u97 h GLU 32 N 1.15 0.94 -0.04 2.33 4.39 -1.01 0.41 114.58 122.74 1u97 h GLU 32 Ca 0.33 -0.17 0.00 0.00 0.34 0.00 0.00 59.36 59.85 1u97 h GLU 32 Cb -0.09 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 28.40 1u97 h GLU 32 CO -0.08 0.80 0.03 -0.09 -1.16 0.00 0.00 179.01 178.50 1u97 h ARG 33 N 0.88 0.06 -0.51 2.33 2.43 -0.76 -1.07 114.38 117.73 1u97 h ARG 33 Ca 0.21 -0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.31 1u97 h ARG 33 Cb 0.21 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.72 1u97 h ARG 33 CO -0.02 0.04 0.06 -0.44 -1.51 0.00 0.00 179.97 178.10 1u97 h ASP 34 N 0.06 0.78 -0.35 -3.80 3.32 -1.19 -2.09 116.42 113.15 1u97 h ASP 34 Ca 0.02 -0.17 -0.06 0.00 0.02 0.00 0.00 57.03 56.84 1u97 h ASP 34 Cb -0.00 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 1u97 h ASP 34 CO -0.01 0.81 0.02 0.74 -1.72 0.00 0.00 179.24 179.08 1u97 h THR 35 N 0.78 1.23 -0.06 0.35 2.02 -0.58 -0.82 112.91 115.83 1u97 h THR 35 Ca 0.16 -0.91 -0.03 0.00 0.77 0.00 0.00 66.41 66.40 1u97 h THR 35 Cb 0.39 0.87 -0.00 0.00 -1.74 0.00 0.00 68.15 67.67 1u97 h THR 35 CO 0.01 0.32 -0.09 0.00 0.37 0.00 0.00 175.52 176.13 1u97 h ILE 37 N -0.29 1.18 0.00 0.00 2.04 -1.28 -1.48 117.51 117.67 1u97 h ILE 37 Ca 0.01 -0.82 -0.05 0.00 1.00 0.00 0.00 64.86 65.00 1u97 h ILE 37 Cb 0.63 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 38.08 1u97 h ILE 37 CO 0.02 0.24 -0.38 0.25 0.00 0.00 0.00 178.15 178.28 1u97 h LEU 38 N 0.06 0.00 -1.29 1.44 7.12 -1.13 -1.44 115.31 120.07 1u97 h LEU 38 Ca 0.01 -0.36 0.12 0.00 0.13 0.00 0.00 57.88 57.77 1u97 h LEU 38 Cb 0.42 0.00 -0.06 0.00 -0.53 0.00 0.00 40.66 40.48 1u97 h LEU 38 CO 0.03 0.90 0.55 0.15 -0.13 0.00 0.00 178.44 179.94 1u97 h PHE 39 N -1.00 0.83 0.00 1.25 3.57 -0.81 -3.10 116.94 117.68 1u97 h PHE 39 Ca -0.07 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.43 1u97 h PHE 39 Cb 0.65 -0.27 -0.00 0.00 2.79 0.00 0.00 35.95 39.12 1u97 h PHE 39 CO 0.04 0.36 -0.24 -0.91 -2.23 0.00 0.00 178.31 175.33 1u97 h ASN 40 N 0.75 0.00 0.00 0.41 -0.26 -1.42 -3.50 115.58 111.56 1u97 h ASN 40 Ca 0.41 -0.14 0.00 0.00 -0.56 0.00 0.00 56.30 56.01 1u97 h ASN 40 Cb 0.55 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.81 1u97 h ASN 40 CO -0.18 0.69 0.00 0.61 -1.06 0.00 0.00 177.43 177.50 1u97 n GLY 41 N 1.69 1.23 2.41 2.83 0.00 -0.57 -5.03 105.19 107.75 1u97 n GLY 41 Ca -0.05 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.11 -2.23 -1.46 1.61 6.02 -1.02 -4.80 117.38 115.39 1u97 n GLN 42 Ca 0.00 1.47 -0.16 0.00 -0.01 0.00 0.00 57.00 58.30 1u97 n GLN 42 Cb 0.00 -2.73 -0.07 0.00 1.02 0.00 0.00 30.24 28.47 1u97 n GLN 42 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1u97 n ASP 43 N -4.08 -4.39 -3.74 1.08 9.92 -1.26 -4.89 116.55 109.17 1u97 n ASP 43 Ca 0.01 0.40 -0.29 0.00 -0.53 0.00 0.00 54.79 54.37 1u97 n ASP 43 Cb 0.51 -3.93 -0.13 0.00 -0.64 0.00 0.00 41.12 36.93 1u97 n ASP 43 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 1u97 s SER 44 N -2.38 3.71 0.00 -2.24 1.04 -1.26 -4.81 113.70 107.76 1u97 s SER 44 Ca 0.00 -2.99 0.00 0.00 0.48 0.00 0.00 55.95 53.44 1u97 s SER 44 Cb 0.00 -1.17 0.00 0.00 0.10 0.00 0.00 66.02 64.95 1u97 s SER 44 CO 0.00 -0.21 0.00 -0.62 0.98 0.00 0.00 173.24 173.39 1u97 n GLU 45 N 3.07 -1.71 -2.66 4.02 1.02 -1.26 -2.74 120.64 120.38 1u97 n GLU 45 Ca 0.13 0.41 -0.11 0.00 -0.02 0.00 0.00 57.16 57.57 1u97 n GLU 45 Cb 0.36 -4.82 -0.01 0.00 -0.02 0.00 0.00 31.44 26.96 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 0.54 -2.62 -3.82 3.49 4.76 -1.26 -0.92 118.16 118.35 1u97 n LYS 46 Ca 0.00 0.37 -0.29 0.00 -2.87 0.00 0.00 58.31 55.52 1u97 n LYS 46 Cb 0.41 -4.95 -0.04 0.00 -1.84 0.00 0.00 35.03 28.61 1u97 n LYS 46 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1u97 h LYS 48 N -0.77 0.00 0.03 0.00 2.10 -1.34 -1.31 116.57 115.29 1u97 h LYS 48 Ca -0.43 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.22 1u97 h LYS 48 Cb 1.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.61 1u97 h LYS 48 CO 0.61 0.00 -0.01 1.49 -2.00 0.00 0.00 179.45 179.54 1u97 h GLU 49 N 0.00 -0.04 -0.26 0.07 4.81 -1.86 -1.13 114.58 116.18 1u97 h GLU 49 Ca 0.12 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.19 1u97 h GLU 49 Cb 0.56 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.95 1u97 h GLU 49 CO -0.00 0.17 -0.51 0.74 -0.73 0.00 0.00 179.01 178.67 1u97 h PHE 50 N -0.24 0.90 0.63 0.92 0.04 -1.75 -1.92 116.94 115.52 1u97 h PHE 50 Ca -0.00 -0.31 -0.03 0.00 2.80 0.00 0.00 57.97 60.43 1u97 h PHE 50 Cb 0.23 -0.17 0.01 0.00 2.20 0.00 0.00 35.95 38.21 1u97 h PHE 50 CO -0.01 1.09 -0.30 0.82 -0.60 0.00 0.00 178.31 179.31 1u97 h ILE 51 N 0.57 0.38 -0.72 -0.55 2.04 -1.23 0.11 117.51 118.09 1u97 h ILE 51 Ca 0.02 -0.04 0.04 0.00 1.00 0.00 0.00 64.86 65.88 1u97 h ILE 51 Cb 1.08 0.39 -0.05 0.00 -0.74 0.00 0.00 36.82 37.51 1u97 h ILE 51 CO 0.11 0.01 0.44 -0.33 0.00 0.00 0.00 178.15 178.37 1u97 h GLU 52 N -0.87 0.82 -0.17 2.37 4.39 -1.26 -0.60 114.58 119.26 1u97 h GLU 52 Ca -0.09 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.55 1u97 h GLU 52 Cb 0.65 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.11 1u97 h GLU 52 CO 0.14 0.54 0.03 -0.22 -1.16 0.00 0.00 179.01 178.35 1u97 h LYS 53 N 0.84 0.24 0.20 2.33 3.64 -1.16 -1.93 116.57 120.73 1u97 h LYS 53 Ca 0.30 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.65 1u97 h LYS 53 Cb 0.09 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 1u97 h LYS 53 CO -0.14 0.23 -0.10 -0.92 -2.27 0.00 0.00 179.45 176.26 1u97 h TYR 54 N 0.24 -0.25 -0.84 1.91 3.20 0.78 -0.44 116.97 121.57 1u97 h TYR 54 Ca 0.06 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 61.99 1u97 h TYR 54 Cb 0.11 0.08 -0.06 0.00 1.54 0.00 0.00 36.73 38.40 1u97 h TYR 54 CO 0.00 0.06 0.51 0.87 -1.64 0.00 0.00 178.16 177.96 1u97 h LYS 55 N -0.57 0.89 -0.61 1.82 6.56 -1.10 -1.80 116.57 121.76 1u97 h LYS 55 Ca -0.03 -0.05 -0.10 0.00 -1.06 0.00 0.00 60.65 59.41 1u97 h LYS 55 Cb 0.42 -0.20 -0.02 0.00 -0.57 0.00 0.00 32.23 31.86 1u97 h LYS 55 CO 0.05 0.59 -0.01 0.93 -2.06 0.00 0.00 179.45 178.94 1u97 h GLU 56 N 0.92 1.08 0.27 3.15 5.08 -1.30 -0.58 114.58 123.20 1u97 h GLU 56 Ca 0.37 -0.35 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1u97 h GLU 56 Cb 0.20 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1u97 h GLU 56 CO -0.19 1.06 -0.22 0.00 -1.00 0.00 0.00 179.01 178.66 1u97 h MET 58 N -0.50 0.00 -0.48 0.00 2.86 -1.36 -1.84 114.93 113.62 1u97 h MET 58 Ca -0.02 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1u97 h MET 58 Cb 0.44 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.08 1u97 h MET 58 CO -0.02 0.32 0.31 -0.22 1.06 0.00 0.00 176.91 178.37 1u97 h LYS 59 N 0.00 0.62 0.00 1.72 3.64 -0.53 -2.01 116.57 120.00 1u97 h LYS 59 Ca -0.00 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1u97 h LYS 59 Cb 0.62 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1u97 h LYS 59 CO 0.04 0.41 -0.00 0.78 -2.27 0.00 0.00 179.45 178.41 1u97 h GLY 60 N 0.64 0.00 0.67 5.01 0.00 -1.07 -3.32 103.07 104.99 1u97 h GLY 60 Ca 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.50 1u97 h GLY 60 CO -0.04 0.00 -0.36 -1.82 0.00 0.00 0.00 176.54 174.32 1u97 h TYR 61 N 0.00 -0.97 0.00 5.60 5.03 -0.57 -3.47 116.97 122.59 1u97 h TYR 61 Ca -0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 1u97 h TYR 61 Cb 0.93 0.37 0.00 0.00 1.55 0.00 0.00 36.73 39.58 1u97 h TYR 61 CO 0.00 -0.51 0.00 0.41 -1.32 0.00 0.00 178.16 176.74 1u97 n GLY 62 N -1.47 0.00 3.64 1.82 0.00 -1.14 -5.00 105.19 103.04 1u97 n GLY 62 Ca -0.10 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.98 0.29 1.61 5.36 -1.21 -5.11 117.98 117.95 1u97 s PHE 63 Ca 0.00 2.02 -0.05 0.00 -0.96 0.00 0.00 56.93 57.94 1u97 s PHE 63 Cb 0.00 0.55 0.07 0.00 -0.34 0.00 0.00 43.02 43.30 1u97 s PHE 63 CO 0.00 -0.48 0.24 0.39 -1.46 0.00 0.00 175.22 173.91 1u97 n GLU 64 N 3.96 -1.73 -3.71 10.12 4.71 -1.26 -4.11 120.64 128.61 1u97 n GLU 64 Ca -0.19 -0.39 -0.31 0.00 -0.01 0.00 0.00 57.16 56.27 1u97 n GLU 64 Cb 0.58 -0.39 -0.09 0.00 -1.01 0.00 0.00 31.44 30.53 1u97 n GLU 64 CO 0.00 0.00 0.00 1.55 0.09 0.00 0.00 177.13 178.77 1u97 n VAL 65 N -3.17 2.29 0.29 2.62 3.14 -1.26 -4.86 118.33 117.38 1u97 n VAL 65 Ca 0.03 -5.04 0.12 0.00 -2.96 0.00 0.00 64.34 56.49 1u97 n VAL 65 Cb 0.14 -2.22 0.17 0.00 -1.06 0.00 0.00 33.84 30.86 1u97 n VAL 65 CO 0.00 0.00 0.00 1.55 -6.46 0.00 0.00 176.83 171.92 1u97 h PRO 66 N 5.33 0.00 -7.02 1.45 0.13 -2.05 -3.46 132.00 126.38 1u97 h PRO 66 Ca 0.16 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.75 1u97 h PRO 66 Cb 0.75 0.00 0.12 0.00 0.13 0.00 0.00 31.00 32.00 1u97 h PRO 66 CO 0.80 0.00 0.65 -1.54 -0.23 0.00 0.00 178.00 177.68 1u97 s SER 67 N -5.58 5.60 -0.21 1.44 1.04 -1.26 -4.97 113.70 109.76 1u97 s SER 67 Ca 0.06 2.81 -0.15 0.00 0.48 0.00 0.00 55.95 59.15 1u97 s SER 67 Cb 0.08 -2.64 -0.08 0.00 0.10 0.00 0.00 66.02 63.47 1u97 s SER 67 CO 0.69 -1.35 -0.33 0.00 0.98 0.00 0.00 173.24 173.23 1u97 n ALA 68 N -0.60 1.16 0.64 5.32 0.00 -1.26 -5.27 120.51 120.50 1u97 n ALA 68 Ca 0.08 -0.89 0.08 0.00 0.00 0.00 0.00 53.44 52.70 1u97 n ALA 68 Cb 0.44 0.10 0.06 0.00 0.00 0.00 0.00 19.45 20.05 1u97 n ALA 68 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77