#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 3.66 0.20 2.03 2.01 -1.26 -4.94 115.64 117.34 1u97 s THR 2 Ca 0.00 -0.44 0.00 0.00 0.31 0.00 0.00 61.69 61.56 1u97 s THR 2 Cb 0.00 -2.59 0.00 0.00 0.01 0.00 0.00 72.50 69.92 1u97 s THR 2 CO 0.00 0.50 0.00 1.21 -0.69 0.00 0.00 174.62 175.64 1u97 n GLU 3 N 3.55 0.00 -2.39 4.92 2.13 -1.26 -5.08 120.64 122.51 1u97 n GLU 3 Ca -0.18 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.22 1u97 n GLU 3 Cb 0.52 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 32.21 1u97 n GLU 3 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1u97 s THR 4 N -1.52 4.20 0.00 6.31 -4.23 -1.26 -4.73 115.64 114.41 1u97 s THR 4 Ca 0.00 1.48 0.00 0.00 -1.18 0.00 0.00 61.69 61.99 1u97 s THR 4 Cb 0.00 -3.95 0.00 0.00 1.34 0.00 0.00 72.50 69.89 1u97 s THR 4 CO 0.00 -0.09 0.00 -0.90 -0.54 0.00 0.00 174.62 173.09 1u97 n ASP 5 N 6.26 0.00 -4.74 3.99 5.68 -1.26 -5.11 116.55 121.37 1u97 n ASP 5 Ca 0.13 -0.92 -0.41 0.00 -0.50 0.00 0.00 54.79 53.10 1u97 n ASP 5 Cb 0.45 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.39 1u97 n ASP 5 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1u97 s LYS 6 N 0.00 4.65 -0.03 0.11 1.02 -1.26 -4.94 119.74 119.29 1u97 s LYS 6 Ca 0.00 1.62 0.16 0.00 0.02 0.00 0.00 55.97 57.77 1u97 s LYS 6 Cb 0.00 -3.30 -0.24 0.00 -0.52 0.00 0.00 37.83 33.77 1u97 s LYS 6 CO 0.00 0.16 0.33 1.63 -0.92 0.00 0.00 175.35 176.55 1u97 n LYS 7 N 2.37 0.54 -1.40 1.68 5.02 -1.26 -4.98 118.16 120.13 1u97 n LYS 7 Ca 0.02 -0.14 -0.14 0.00 -2.02 0.00 0.00 58.31 56.03 1u97 n LYS 7 Cb 0.47 -1.37 -0.06 0.00 -0.02 0.00 0.00 35.03 34.05 1u97 n LYS 7 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1u97 n GLN 8 N -2.07 -1.61 0.10 1.97 6.02 -1.26 -4.82 117.38 115.70 1u97 n GLN 8 Ca -0.04 0.98 -0.15 0.00 -0.01 0.00 0.00 57.00 57.79 1u97 n GLN 8 Cb 0.44 -5.38 -0.12 0.00 1.02 0.00 0.00 30.24 26.20 1u97 n GLN 8 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 1u97 h GLU 9 N 0.00 0.26 -6.04 -1.09 4.81 -2.01 -3.45 114.58 107.06 1u97 h GLU 9 Ca -0.29 -0.42 -0.63 0.00 -0.13 0.00 0.00 59.36 57.90 1u97 h GLU 9 Cb 1.22 0.15 -0.30 0.00 0.63 0.00 0.00 28.75 30.45 1u97 h GLU 9 CO 0.43 1.18 -0.86 -0.65 -0.73 0.00 0.00 179.01 178.37 1u97 s GLN 10 N -2.74 1.86 -0.26 1.92 -1.52 -1.26 -5.11 119.66 112.54 1u97 s GLN 10 Ca -0.04 -0.78 -0.01 0.00 -1.95 0.00 0.00 55.36 52.59 1u97 s GLN 10 Cb 0.08 -1.75 0.14 0.00 -0.22 0.00 0.00 33.01 31.26 1u97 s GLN 10 CO 0.88 0.44 0.37 -2.00 -0.25 0.00 0.00 175.29 174.72 1u97 s GLU 11 N -0.41 0.36 0.00 2.91 2.12 -1.26 -4.98 118.70 117.43 1u97 s GLU 11 Ca 0.06 0.27 0.00 0.00 0.36 0.00 0.00 54.97 55.66 1u97 s GLU 11 Cb -0.09 -0.50 0.00 0.00 0.26 0.00 0.00 34.13 33.80 1u97 s GLU 11 CO -0.00 -0.84 0.00 0.27 -0.54 0.00 0.00 175.26 174.15 1u97 n ASN 12 N 5.35 0.00 -0.02 -1.70 6.94 -1.26 -5.01 115.26 119.55 1u97 n ASN 12 Ca -0.02 0.00 -0.00 0.00 -0.02 0.00 0.00 54.58 54.54 1u97 n ASN 12 Cb 0.49 0.00 -0.00 0.00 -2.36 0.00 0.00 39.78 37.91 1u97 n ASN 12 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1u97 n HIS 13 N -1.46 -0.00 -3.09 -2.53 8.25 -1.26 -4.91 115.22 110.21 1u97 n HIS 13 Ca 0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.03 1u97 n HIS 13 Cb 0.00 -2.01 -0.06 0.00 1.12 0.00 0.00 29.99 29.03 1u97 n HIS 13 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1u97 s ALA 14 N -1.02 3.34 0.34 -1.41 0.00 -1.26 -4.94 121.76 116.80 1u97 s ALA 14 Ca 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 51.96 50.61 1u97 s ALA 14 Cb 0.00 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.76 1u97 s ALA 14 CO 0.00 -1.91 0.00 0.39 0.00 0.00 0.00 175.76 174.24 1u97 n GLU 15 N 6.36 -2.86 0.00 0.00 1.02 -1.26 -4.52 120.64 119.38 1u97 n GLU 15 Ca -0.03 1.90 0.10 0.00 -0.02 0.00 0.00 57.16 59.12 1u97 n GLU 15 Cb 0.47 -3.48 -0.03 0.00 -0.02 0.00 0.00 31.44 28.38 1u97 n GLU 15 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1u97 s GLU 17 N -2.40 3.21 -0.19 0.00 2.56 -1.26 -4.98 118.70 115.63 1u97 s GLU 17 Ca 0.14 -0.75 -0.15 0.00 0.00 0.00 0.00 54.97 54.21 1u97 s GLU 17 Cb 0.16 -3.17 -0.07 0.00 2.00 0.00 0.00 34.13 33.04 1u97 s GLU 17 CO 0.58 -0.32 -0.25 -3.47 -0.56 0.00 0.00 175.26 171.24 1u97 n ASP 18 N 4.81 1.90 -4.05 -1.70 2.03 -1.26 -5.04 116.55 113.24 1u97 n ASP 18 Ca -0.16 0.43 -0.12 0.00 0.52 0.00 0.00 54.79 55.46 1u97 n ASP 18 Cb 0.49 -0.81 -0.11 0.00 -0.72 0.00 0.00 41.12 39.97 1u97 n ASP 18 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1u97 s LYS 19 N -2.60 0.51 -0.70 -0.67 1.02 -1.26 -5.08 119.74 110.96 1u97 s LYS 19 Ca -0.26 -0.78 -0.26 0.00 0.02 0.00 0.00 55.97 54.69 1u97 s LYS 19 Cb 0.05 -0.20 -0.11 0.00 -0.52 0.00 0.00 37.83 37.06 1u97 s LYS 19 CO 0.39 0.02 2.36 -2.14 -0.92 0.00 0.00 175.35 175.07 1u97 s PRO 20 N -1.77 1.84 -0.09 -1.68 0.02 -1.26 -4.89 135.00 127.17 1u97 s PRO 20 Ca -0.09 0.72 -0.04 0.00 0.02 0.00 0.00 61.00 61.61 1u97 s PRO 20 Cb -0.09 -4.73 0.05 0.00 0.02 0.00 0.00 34.50 29.76 1u97 s PRO 20 CO -0.00 -3.97 0.19 0.15 -0.33 0.00 0.00 177.00 173.04 1u97 s LYS 21 N 8.52 0.10 -0.40 5.54 1.02 -1.26 -5.12 119.74 128.14 1u97 s LYS 21 Ca 0.92 0.56 -0.29 0.00 0.02 0.00 0.00 55.97 57.18 1u97 s LYS 21 Cb -0.14 -0.17 0.01 0.00 -0.52 0.00 0.00 37.83 37.01 1u97 s LYS 21 CO 0.13 -0.24 1.46 -1.25 -0.92 0.00 0.00 175.35 174.53 1u97 s PRO 22 N 1.88 3.54 -0.14 -1.68 0.04 -1.26 -4.95 135.00 132.42 1u97 s PRO 22 Ca -0.02 1.00 -0.30 0.00 0.04 0.00 0.00 61.00 61.71 1u97 s PRO 22 Cb -0.12 -4.05 0.11 0.00 0.04 0.00 0.00 34.50 30.49 1u97 s PRO 22 CO -0.07 -1.61 0.93 0.00 0.04 0.00 0.00 177.00 176.29 1u97 n VAL 25 N -2.93 0.00 -1.03 0.00 0.24 -1.26 -4.89 118.33 108.45 1u97 n VAL 25 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1u97 n VAL 25 Cb 0.32 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.69 1u97 n VAL 25 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1u97 h LYS 27 N 0.00 -0.23 0.00 0.00 1.79 -2.01 -2.33 116.57 113.79 1u97 h LYS 27 Ca 0.00 0.02 -0.08 0.00 -2.18 0.00 0.00 60.65 58.40 1u97 h LYS 27 Cb 0.38 0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.07 1u97 h LYS 27 CO 0.00 -0.15 -0.39 -1.00 -1.08 0.00 0.00 179.45 176.83 1u97 h PRO 28 N -0.23 0.00 0.00 3.15 0.13 -1.98 -3.09 132.00 129.97 1u97 h PRO 28 Ca 0.08 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.20 1u97 h PRO 28 Cb 0.35 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.48 1u97 h PRO 28 CO -0.22 0.39 -0.06 0.93 -0.23 0.00 0.00 178.00 178.81 1u97 h GLU 29 N 0.00 0.00 -0.28 0.86 3.07 -1.81 -1.91 114.58 114.51 1u97 h GLU 29 Ca -0.00 0.00 -0.19 0.00 -0.50 0.00 0.00 59.36 58.67 1u97 h GLU 29 Cb 1.02 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.93 1u97 h GLU 29 CO 0.05 0.06 -0.56 0.87 -1.40 0.00 0.00 179.01 178.03 1u97 h LYS 30 N 0.00 0.86 -0.36 2.33 1.57 -1.39 -1.81 116.57 117.78 1u97 h LYS 30 Ca -0.00 -0.56 -0.09 0.00 -1.87 0.00 0.00 60.65 58.13 1u97 h LYS 30 Cb 0.13 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1u97 h LYS 30 CO 0.01 1.19 -0.15 0.93 -0.57 0.00 0.00 179.45 180.86 1u97 h GLU 31 N 0.66 0.73 0.14 3.15 3.07 -1.50 -1.76 114.58 119.07 1u97 h GLU 31 Ca 0.01 -0.31 -0.01 0.00 -0.50 0.00 0.00 59.36 58.56 1u97 h GLU 31 Cb 1.17 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 29.05 1u97 h GLU 31 CO 0.12 0.91 -0.07 0.93 -1.40 0.00 0.00 179.01 179.51 1u97 h GLU 32 N 0.52 -0.18 -0.17 2.33 4.39 -1.40 -1.43 114.58 118.63 1u97 h GLU 32 Ca 0.08 0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.82 1u97 h GLU 32 Cb 0.68 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.34 1u97 h GLU 32 CO 0.05 0.08 0.01 -0.09 -1.16 0.00 0.00 179.01 177.89 1u97 h ARG 33 N -0.43 0.07 -0.38 2.33 2.43 -1.37 -1.42 114.38 115.61 1u97 h ARG 33 Ca -0.02 -0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1u97 h ARG 33 Cb 0.34 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 1u97 h ARG 33 CO 0.03 0.04 0.23 0.22 -1.51 0.00 0.00 179.97 178.98 1u97 h ASP 34 N 0.07 0.38 -0.72 -3.80 1.82 -1.33 -1.49 116.42 111.35 1u97 h ASP 34 Ca 0.08 -0.00 0.02 0.00 -0.39 0.00 0.00 57.03 56.74 1u97 h ASP 34 Cb 0.09 -0.08 -0.04 0.00 0.68 0.00 0.00 39.33 39.98 1u97 h ASP 34 CO -0.13 0.27 0.48 0.74 -1.61 0.00 0.00 179.24 178.99 1u97 h THR 35 N 0.46 1.14 0.22 2.25 2.02 -0.98 -0.08 112.91 117.94 1u97 h THR 35 Ca 0.15 -0.31 -0.01 0.00 0.77 0.00 0.00 66.41 67.00 1u97 h THR 35 Cb -0.01 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.54 1u97 h THR 35 CO -0.06 0.17 -0.11 0.00 0.37 0.00 0.00 175.52 175.89 1u97 h ILE 37 N -0.68 0.47 0.01 0.00 2.04 -1.08 0.17 117.51 118.44 1u97 h ILE 37 Ca -0.03 -0.23 -0.27 0.00 1.00 0.00 0.00 64.86 65.33 1u97 h ILE 37 Cb 0.48 1.15 -0.04 0.00 -0.74 0.00 0.00 36.82 37.67 1u97 h ILE 37 CO 0.05 0.05 -1.49 0.25 0.00 0.00 0.00 178.15 177.01 1u97 h LEU 38 N 0.00 0.04 0.00 1.44 5.85 -0.89 -3.03 115.31 118.73 1u97 h LEU 38 Ca -0.00 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.65 1u97 h LEU 38 Cb 0.15 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.17 1u97 h LEU 38 CO 0.01 1.06 -0.04 0.15 -0.34 0.00 0.00 178.44 179.27 1u97 h PHE 39 N 0.01 0.00 0.16 1.25 3.57 -0.05 -3.43 116.94 118.45 1u97 h PHE 39 Ca -0.20 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.29 1u97 h PHE 39 Cb 1.94 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.68 1u97 h PHE 39 CO 0.01 0.00 -0.08 -0.91 -2.23 0.00 0.00 178.31 175.10 1u97 h ASN 40 N -0.23 -0.18 0.00 0.41 2.35 -1.22 -3.51 115.58 113.20 1u97 h ASN 40 Ca 0.00 -0.28 0.00 0.00 -0.55 0.00 0.00 56.30 55.47 1u97 h ASN 40 Cb 0.04 0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.46 1u97 h ASN 40 CO 0.00 0.38 0.00 0.61 -1.65 0.00 0.00 177.43 176.77 1u97 n GLY 41 N 0.90 0.85 0.01 2.83 0.00 -1.12 -4.90 105.19 103.76 1u97 n GLY 41 Ca -0.06 -1.91 0.01 0.00 0.00 0.00 0.00 46.02 44.06 1u97 n GLY 41 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1u97 n GLN 42 N 0.00 0.93 0.00 1.61 7.27 -1.26 -4.17 117.38 121.76 1u97 n GLN 42 Ca 0.00 -0.04 0.12 0.00 0.07 0.00 0.00 57.00 57.15 1u97 n GLN 42 Cb 0.00 -1.12 0.68 0.00 2.41 0.00 0.00 30.24 32.20 1u97 n GLN 42 CO 0.00 0.00 0.00 -0.40 0.07 0.00 0.00 177.06 176.73 1u97 n ASP 43 N -1.81 0.00 -4.83 1.69 5.68 -1.26 -4.81 116.55 111.22 1u97 n ASP 43 Ca -0.03 -0.59 -0.33 0.00 -0.50 0.00 0.00 54.79 53.34 1u97 n ASP 43 Cb 0.27 -0.06 -0.05 0.00 -1.14 0.00 0.00 41.12 40.14 1u97 n ASP 43 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1u97 s SER 44 N -2.12 6.70 -0.01 -1.12 0.15 -1.26 -4.98 113.70 111.06 1u97 s SER 44 Ca 0.33 1.65 0.19 0.00 0.70 0.00 0.00 55.95 58.82 1u97 s SER 44 Cb 0.16 -2.53 -0.25 0.00 -1.71 0.00 0.00 66.02 61.69 1u97 s SER 44 CO 0.29 -0.53 0.60 -0.62 1.20 0.00 0.00 173.24 174.19 1u97 n GLU 45 N -1.16 0.71 0.05 5.44 1.02 -1.26 -4.30 120.64 121.13 1u97 n GLU 45 Ca 0.07 -0.09 0.04 0.00 -0.02 0.00 0.00 57.16 57.16 1u97 n GLU 45 Cb 0.54 -1.42 -0.06 0.00 -0.02 0.00 0.00 31.44 30.48 1u97 n GLU 45 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1u97 n LYS 46 N -1.81 0.62 0.10 3.49 4.81 -1.26 -3.87 118.16 120.24 1u97 n LYS 46 Ca -0.00 0.16 0.09 0.00 -0.87 0.00 0.00 58.31 57.69 1u97 n LYS 46 Cb 0.40 -1.79 0.43 0.00 0.02 0.00 0.00 35.03 34.08 1u97 n LYS 46 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1u97 n LYS 48 N -2.02 0.02 0.05 0.00 5.02 -1.25 -3.04 118.16 116.94 1u97 n LYS 48 Ca 0.01 0.29 -0.13 0.00 -2.02 0.00 0.00 58.31 56.47 1u97 n LYS 48 Cb 0.14 -1.55 -0.08 0.00 -0.02 0.00 0.00 35.03 33.52 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 -0.69 1.97 4.81 -1.66 -1.35 114.58 117.59 1u97 h GLU 49 Ca 0.00 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1u97 h GLU 49 Cb 0.24 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.61 1u97 h GLU 49 CO 0.00 0.12 0.34 0.74 -0.73 0.00 0.00 179.01 179.48 1u97 h PHE 50 N -0.25 0.97 -0.25 0.92 0.04 -1.78 -1.84 116.94 114.74 1u97 h PHE 50 Ca -0.01 -0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.72 1u97 h PHE 50 Cb 0.22 -0.31 -0.01 0.00 2.20 0.00 0.00 35.95 38.05 1u97 h PHE 50 CO -0.02 0.70 0.12 0.82 -0.60 0.00 0.00 178.31 179.34 1u97 h ILE 51 N 0.97 1.14 -0.97 -0.55 2.04 -1.61 -1.76 117.51 116.78 1u97 h ILE 51 Ca 0.24 -0.41 -0.00 0.00 1.00 0.00 0.00 64.86 65.69 1u97 h ILE 51 Cb 0.09 0.95 -0.05 0.00 -0.74 0.00 0.00 36.82 37.07 1u97 h ILE 51 CO -0.03 0.14 0.60 -0.33 0.00 0.00 0.00 178.15 178.53 1u97 h GLU 52 N 0.28 1.30 -0.31 2.37 5.08 -0.92 -0.44 114.58 121.93 1u97 h GLU 52 Ca 0.09 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1u97 h GLU 52 Cb 0.12 -0.28 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 1u97 h GLU 52 CO -0.01 0.89 0.20 -0.22 -1.00 0.00 0.00 179.01 178.87 1u97 h LYS 53 N 1.32 0.42 0.00 2.33 3.64 -1.04 -1.12 116.57 122.12 1u97 h LYS 53 Ca 0.35 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.64 1u97 h LYS 53 Cb -0.09 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.63 1u97 h LYS 53 CO -0.07 0.29 -0.30 -0.92 -2.27 0.00 0.00 179.45 176.18 1u97 h TYR 54 N 0.42 0.00 0.13 1.91 3.20 -0.91 -1.74 116.97 119.98 1u97 h TYR 54 Ca 0.11 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.98 1u97 h TYR 54 Cb -0.03 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.24 1u97 h TYR 54 CO -0.05 0.30 -0.06 -0.22 -1.64 0.00 0.00 178.16 176.49 1u97 h LYS 55 N 0.00 -0.17 -0.65 1.82 3.64 -0.38 -1.79 116.57 119.04 1u97 h LYS 55 Ca -0.00 0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.30 1u97 h LYS 55 Cb 0.58 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.41 1u97 h LYS 55 CO 0.04 0.25 0.08 1.05 -2.27 0.00 0.00 179.45 178.60 1u97 h GLU 56 N -0.65 1.09 0.25 1.90 4.11 -1.19 -1.14 114.58 118.94 1u97 h GLU 56 Ca -0.02 -0.31 -0.01 0.00 0.07 0.00 0.00 59.36 59.09 1u97 h GLU 56 Cb 0.50 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1u97 h GLU 56 CO 0.03 1.02 -0.12 0.00 0.07 0.00 0.00 179.01 180.00 1u97 h MET 58 N -0.41 0.49 -0.63 0.00 1.85 -1.28 -0.32 114.93 114.63 1u97 h MET 58 Ca -0.03 -0.05 -0.06 0.00 -0.61 0.00 0.00 59.70 58.94 1u97 h MET 58 Cb 0.31 -0.10 -0.03 0.00 0.43 0.00 0.00 31.60 32.22 1u97 h MET 58 CO 0.06 0.39 0.15 -0.22 -0.40 0.00 0.00 176.91 176.89 1u97 h LYS 59 N 0.49 1.00 0.02 0.39 1.63 -0.86 -2.79 116.57 116.45 1u97 h LYS 59 Ca 0.12 -0.24 -0.21 0.00 -0.85 0.00 0.00 60.65 59.48 1u97 h LYS 59 Cb 0.08 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 31.57 1u97 h LYS 59 CO -0.02 0.91 -0.93 0.78 -3.45 0.00 0.00 179.45 176.74 1u97 h GLY 60 N 0.92 0.23 1.22 5.01 0.00 -0.64 -3.23 103.07 106.58 1u97 h GLY 60 Ca 0.20 -0.44 0.06 0.00 0.00 0.00 0.00 47.33 47.15 1u97 h GLY 60 CO 0.00 0.39 0.39 -1.82 0.00 0.00 0.00 176.54 175.50 1u97 h TYR 61 N 0.11 0.57 0.00 5.60 3.20 -0.95 -3.46 116.97 122.04 1u97 h TYR 61 Ca -0.05 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.83 1u97 h TYR 61 Cb 1.58 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 39.66 1u97 h TYR 61 CO 0.03 0.31 0.00 0.41 -1.64 0.00 0.00 178.16 177.28 1u97 n GLY 62 N -1.48 0.99 3.41 1.82 0.00 -1.13 -4.98 105.19 103.82 1u97 n GLY 62 Ca 0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.89 -0.60 1.40 1.61 5.36 -1.07 -5.08 117.98 117.70 1u97 s PHE 63 Ca 0.00 1.42 -0.22 0.00 -0.96 0.00 0.00 56.93 57.17 1u97 s PHE 63 Cb 0.00 0.23 0.36 0.00 -0.34 0.00 0.00 43.02 43.26 1u97 s PHE 63 CO 0.00 -0.29 0.95 -1.21 -1.46 0.00 0.00 175.22 173.21 1u97 s GLU 64 N 0.47 -2.76 -0.72 10.12 8.01 -1.26 -3.98 118.70 128.57 1u97 s GLU 64 Ca -0.02 0.11 0.05 0.00 0.01 0.00 0.00 54.97 55.12 1u97 s GLU 64 Cb -0.04 -1.40 0.18 0.00 -4.31 0.00 0.00 34.13 28.56 1u97 s GLU 64 CO -0.02 -4.76 0.54 0.28 0.01 0.00 0.00 175.26 171.31 1u97 n VAL 65 N -5.54 1.79 0.42 2.63 0.31 -1.26 -4.88 118.33 111.80 1u97 n VAL 65 Ca 0.13 -4.92 0.12 0.00 -0.01 0.00 0.00 64.34 59.66 1u97 n VAL 65 Cb 0.60 -2.19 0.23 0.00 -0.91 0.00 0.00 33.84 31.57 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 5.32 0.00 -6.03 5.55 0.13 -2.04 -3.45 132.00 131.48 1u97 h PRO 66 Ca 0.15 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.68 1u97 h PRO 66 Cb 0.75 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.83 1u97 h PRO 66 CO 0.74 0.00 -0.29 0.45 -0.23 0.00 0.00 178.00 178.67 1u97 s SER 67 N -5.12 6.60 0.00 1.44 0.15 -1.26 -4.95 113.70 110.56 1u97 s SER 67 Ca 0.07 0.72 0.00 0.00 0.70 0.00 0.00 55.95 57.45 1u97 s SER 67 Cb 0.10 -2.15 0.00 0.00 -1.71 0.00 0.00 66.02 62.26 1u97 s SER 67 CO 0.67 0.21 0.00 0.00 1.20 0.00 0.00 173.24 175.32 1u97 n ALA 68 N 1.05 1.61 1.81 5.45 0.00 -1.26 -5.12 120.51 124.06 1u97 n ALA 68 Ca -0.10 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.50 1u97 n ALA 68 Cb 0.52 0.00 0.79 0.00 0.00 0.00 0.00 19.45 20.77 1u97 n ALA 68 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59