#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u97 n THR 2 N 0.00 0.31 0.00 3.17 -2.24 -1.26 -4.97 114.28 109.29 1u97 n THR 2 Ca 0.00 0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 1u97 n THR 2 Cb 0.00 -1.09 0.00 0.00 -2.10 0.00 0.00 70.33 67.14 1u97 n THR 2 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1u97 n GLU 3 N -2.77 0.00 0.00 -0.78 2.13 -1.26 -1.17 120.64 116.79 1u97 n GLU 3 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1u97 n GLU 3 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1u97 n GLU 3 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1u97 n THR 4 N 0.00 0.00 -3.72 6.31 -2.24 -1.26 -5.08 114.28 108.29 1u97 n THR 4 Ca 0.00 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.42 1u97 n THR 4 Cb 0.00 0.48 -0.07 0.00 -2.10 0.00 0.00 70.33 68.64 1u97 n THR 4 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1u97 s ASP 5 N 0.00 6.36 0.01 3.42 -4.77 -0.32 -5.08 116.67 116.28 1u97 s ASP 5 Ca 0.00 0.42 -0.29 0.00 -3.30 0.00 0.00 52.55 49.38 1u97 s ASP 5 Cb 0.00 -2.11 0.07 0.00 -1.09 0.00 0.00 42.92 39.79 1u97 s ASP 5 CO 0.00 0.25 0.67 -1.59 0.70 0.00 0.00 175.17 175.20 1u97 s LYS 6 N -0.16 1.10 -0.13 2.11 -2.85 -1.26 -4.58 119.74 113.96 1u97 s LYS 6 Ca 0.13 0.04 -0.07 0.00 -1.00 0.00 0.00 55.97 55.07 1u97 s LYS 6 Cb -0.12 0.52 0.05 0.00 -2.06 0.00 0.00 37.83 36.22 1u97 s LYS 6 CO 0.02 -0.39 0.31 0.21 0.10 0.00 0.00 175.35 175.60 1u97 s LYS 7 N -1.96 0.28 -0.40 1.78 2.20 -1.26 -5.00 119.74 115.39 1u97 s LYS 7 Ca -0.07 0.63 -0.17 0.00 -0.36 0.00 0.00 55.97 56.00 1u97 s LYS 7 Cb -0.00 -0.08 0.02 0.00 -1.51 0.00 0.00 37.83 36.26 1u97 s LYS 7 CO 0.03 -0.16 0.49 1.04 -0.36 0.00 0.00 175.35 176.39 1u97 n GLN 8 N 4.22 -2.39 0.00 4.03 1.13 -1.26 -4.98 117.38 118.14 1u97 n GLN 8 Ca -0.24 2.05 0.00 0.00 -1.94 0.00 0.00 57.00 56.86 1u97 n GLN 8 Cb 0.54 -4.77 0.00 0.00 0.11 0.00 0.00 30.24 26.12 1u97 n GLN 8 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1u97 n GLU 9 N -0.05 0.29 0.04 -1.09 -0.58 -1.26 -4.69 120.64 113.29 1u97 n GLU 9 Ca 0.06 -0.52 -0.01 0.00 -0.42 0.00 0.00 57.16 56.27 1u97 n GLU 9 Cb 0.43 -0.57 -0.01 0.00 -0.57 0.00 0.00 31.44 30.73 1u97 n GLU 9 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 1u97 h GLN 10 N 0.00 -0.09 0.00 3.49 1.08 -2.04 -3.42 115.11 114.14 1u97 h GLN 10 Ca 0.00 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 1u97 h GLN 10 Cb 0.83 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.28 1u97 h GLN 10 CO 0.00 -0.06 -0.02 -0.85 -0.95 0.00 0.00 178.83 176.95 1u97 n GLU 11 N -2.34 1.01 -3.14 1.46 0.28 -1.26 -5.03 120.64 111.62 1u97 n GLU 11 Ca -0.01 -0.90 -0.43 0.00 -0.16 0.00 0.00 57.16 55.66 1u97 n GLU 11 Cb 0.04 -0.69 -0.07 0.00 1.43 0.00 0.00 31.44 32.15 1u97 n GLU 11 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 1u97 s ASN 12 N -0.44 6.32 0.27 -1.84 -0.87 -1.26 -5.04 114.94 112.08 1u97 s ASN 12 Ca 0.01 -0.31 0.02 0.00 -1.57 0.00 0.00 52.86 51.01 1u97 s ASN 12 Cb 0.01 -2.30 -0.05 0.00 -0.02 0.00 0.00 41.25 38.88 1u97 s ASN 12 CO 0.00 -0.72 0.07 -1.38 -2.57 0.00 0.00 177.10 172.51 1u97 s HIS 13 N 2.70 1.65 0.40 2.20 -3.43 -1.26 -4.68 115.29 112.87 1u97 s HIS 13 Ca 0.21 -1.09 0.00 0.00 -0.80 0.00 0.00 55.06 53.38 1u97 s HIS 13 Cb -0.15 -1.00 0.00 0.00 -1.43 0.00 0.00 32.58 30.00 1u97 s HIS 13 CO 0.18 -0.21 0.00 0.00 -2.00 0.00 0.00 174.74 172.71 1u97 n ALA 14 N -0.51 -3.81 -3.46 -1.38 0.00 -1.26 -4.97 120.51 105.11 1u97 n ALA 14 Ca -0.01 0.56 -0.12 0.00 0.00 0.00 0.00 53.44 53.87 1u97 n ALA 14 Cb 0.66 -1.37 -0.10 0.00 0.00 0.00 0.00 19.45 18.63 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 -2.67 0.44 -0.02 0.00 2.12 -1.26 -5.03 118.70 112.28 1u97 s GLU 15 Ca 0.00 0.66 0.03 0.00 0.36 0.00 0.00 54.97 56.02 1u97 s GLU 15 Cb 0.00 0.13 0.05 0.00 0.26 0.00 0.00 34.13 34.57 1u97 s GLU 15 CO 0.00 -0.10 0.86 0.00 -0.54 0.00 0.00 175.26 175.48 1u97 s GLU 17 N -0.69 4.23 0.00 0.00 2.02 -1.26 -3.77 118.70 119.23 1u97 s GLU 17 Ca 0.06 0.80 0.00 0.00 0.02 0.00 0.00 54.97 55.84 1u97 s GLU 17 Cb 0.05 -3.04 0.00 0.00 0.10 0.00 0.00 34.13 31.24 1u97 s GLU 17 CO 0.01 0.50 0.00 -3.47 0.02 0.00 0.00 175.26 172.32 1u97 n ASP 18 N 1.12 -5.30 -2.74 -0.19 2.03 -1.26 -3.95 116.55 106.27 1u97 n ASP 18 Ca -0.06 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.24 1u97 n ASP 18 Cb 0.51 -3.18 -0.01 0.00 -0.72 0.00 0.00 41.12 37.71 1u97 n ASP 18 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1u97 n LYS 19 N 0.46 -3.50 -1.89 -0.67 4.81 -1.25 -4.85 118.16 111.27 1u97 n LYS 19 Ca 0.00 2.78 -0.42 0.00 -0.87 0.00 0.00 58.31 59.80 1u97 n LYS 19 Cb 0.42 -4.74 -0.03 0.00 0.02 0.00 0.00 35.03 30.71 1u97 n LYS 19 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1u97 s PRO 20 N -1.22 4.19 -0.04 1.64 0.04 -1.25 -5.00 135.00 133.35 1u97 s PRO 20 Ca -0.09 2.37 -0.20 0.00 0.04 0.00 0.00 61.00 63.12 1u97 s PRO 20 Cb 0.01 -3.66 0.04 0.00 0.04 0.00 0.00 34.50 30.93 1u97 s PRO 20 CO 0.69 -0.77 0.44 -1.59 0.04 0.00 0.00 177.00 175.82 1u97 s LYS 21 N 2.85 0.78 0.21 4.56 -2.85 -1.26 -5.14 119.74 118.89 1u97 s LYS 21 Ca 0.75 0.03 -0.32 0.00 -1.00 0.00 0.00 55.97 55.44 1u97 s LYS 21 Cb -0.40 0.36 -0.12 0.00 -2.06 0.00 0.00 37.83 35.60 1u97 s LYS 21 CO 0.33 -0.22 1.68 -2.30 0.10 0.00 0.00 175.35 174.94 1u97 n PRO 22 N 1.31 2.65 0.00 1.78 -0.02 -1.26 -4.85 135.00 134.61 1u97 n PRO 22 Ca -0.20 0.96 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 1u97 n PRO 22 Cb 0.56 -2.78 0.00 0.00 -0.02 0.00 0.00 33.50 31.26 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 -0.45 0.00 -3.50 0.00 0.24 -1.26 -4.72 118.33 108.65 1u97 n VAL 25 Ca -0.05 0.00 -0.25 0.00 -2.04 0.00 0.00 64.34 62.00 1u97 n VAL 25 Cb 0.44 0.00 -0.13 0.00 -1.47 0.00 0.00 33.84 32.67 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 8.36 0.03 -0.02 0.00 1.79 -2.02 -3.33 116.57 121.38 1u97 h LYS 27 Ca -0.18 -0.04 -0.10 0.00 -2.18 0.00 0.00 60.65 58.14 1u97 h LYS 27 Cb 1.03 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.69 1u97 h LYS 27 CO 0.40 1.02 -0.47 -1.00 -1.08 0.00 0.00 179.45 178.33 1u97 h PRO 28 N -0.93 0.05 -0.68 3.15 0.13 -1.99 -2.99 132.00 128.74 1u97 h PRO 28 Ca -0.18 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.91 1u97 h PRO 28 Cb 1.20 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 1u97 h PRO 28 CO -0.08 0.51 0.36 1.49 -0.23 0.00 0.00 178.00 180.05 1u97 h GLU 29 N 0.04 0.94 -0.72 0.86 4.57 -1.98 -1.78 114.58 116.51 1u97 h GLU 29 Ca -0.00 -0.10 -0.06 0.00 -1.18 0.00 0.00 59.36 58.02 1u97 h GLU 29 Cb 0.85 -0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 29.22 1u97 h GLU 29 CO 0.06 0.69 0.22 -0.22 -1.18 0.00 0.00 179.01 178.59 1u97 h LYS 30 N 0.95 1.12 -0.48 1.92 3.64 -1.63 -1.68 116.57 120.41 1u97 h LYS 30 Ca 0.24 -0.24 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 1u97 h LYS 30 Cb 0.03 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.67 1u97 h LYS 30 CO -0.04 0.96 0.12 1.49 -2.27 0.00 0.00 179.45 179.72 1u97 h GLU 31 N 1.07 0.77 -0.09 1.90 4.57 -1.43 -1.79 114.58 119.59 1u97 h GLU 31 Ca 0.23 -0.18 0.00 0.00 -1.18 0.00 0.00 59.36 58.23 1u97 h GLU 31 Cb 0.31 -0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 28.80 1u97 h GLU 31 CO -0.01 0.75 0.05 0.93 -1.18 0.00 0.00 179.01 179.56 1u97 h GLU 32 N 0.66 0.12 -0.10 1.92 4.39 -1.11 -1.05 114.58 119.41 1u97 h GLU 32 Ca 0.15 -0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.87 1u97 h GLU 32 Cb 0.32 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.92 1u97 h GLU 32 CO 0.00 0.10 -0.06 -0.09 -1.16 0.00 0.00 179.01 177.80 1u97 h ARG 33 N 0.09 -0.06 -0.65 2.33 2.43 -1.22 -1.64 114.38 115.67 1u97 h ARG 33 Ca 0.03 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.26 1u97 h ARG 33 Cb 0.01 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.54 1u97 h ARG 33 CO -0.01 -0.04 0.43 0.22 -1.51 0.00 0.00 179.97 179.06 1u97 h ASP 34 N -0.06 0.60 -0.21 -3.80 3.58 -1.18 -1.43 116.42 113.92 1u97 h ASP 34 Ca 0.06 -0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.50 1u97 h ASP 34 Cb 0.15 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.06 1u97 h ASP 34 CO -0.14 0.40 0.07 0.74 -2.88 0.00 0.00 179.24 177.44 1u97 h THR 35 N 0.69 1.18 -0.77 2.25 2.02 -0.33 0.12 112.91 118.07 1u97 h THR 35 Ca 0.28 -0.54 -0.04 0.00 0.77 0.00 0.00 66.41 66.88 1u97 h THR 35 Cb 0.21 1.15 -0.03 0.00 -1.74 0.00 0.00 68.15 67.74 1u97 h THR 35 CO -0.08 0.17 0.34 0.00 0.37 0.00 0.00 175.52 176.32 1u97 h ILE 37 N 1.10 1.01 0.03 0.00 2.04 -1.11 0.23 117.51 120.81 1u97 h ILE 37 Ca 0.26 -1.34 -0.24 0.00 1.00 0.00 0.00 64.86 64.54 1u97 h ILE 37 Cb 0.17 1.78 0.02 0.00 -0.74 0.00 0.00 36.82 38.05 1u97 h ILE 37 CO -0.03 0.35 -0.97 0.25 0.00 0.00 0.00 178.15 177.75 1u97 h LEU 38 N 0.00 0.80 0.00 1.44 5.85 -0.33 -2.53 115.31 120.54 1u97 h LEU 38 Ca -0.00 -0.77 0.00 0.00 0.84 0.00 0.00 57.88 57.95 1u97 h LEU 38 Cb 0.75 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.53 1u97 h LEU 38 CO 0.05 1.47 -0.05 -0.26 -0.34 0.00 0.00 178.44 179.31 1u97 h PHE 39 N 0.22 0.00 0.33 1.25 0.04 -1.14 -3.41 116.94 114.23 1u97 h PHE 39 Ca -0.13 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.62 1u97 h PHE 39 Cb 1.65 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.80 1u97 h PHE 39 CO 0.12 0.00 -0.16 -0.91 -0.60 0.00 0.00 178.31 176.76 1u97 h ASN 40 N -0.45 -0.37 -1.45 2.17 2.35 -1.16 -3.50 115.58 113.17 1u97 h ASN 40 Ca 0.00 -0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.61 1u97 h ASN 40 Cb 0.05 0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.51 1u97 h ASN 40 CO 0.00 -0.05 0.00 0.61 -1.65 0.00 0.00 177.43 176.34 1u97 n GLY 41 N -0.52 0.71 0.12 2.83 0.00 -0.95 -4.71 105.19 102.66 1u97 n GLY 41 Ca -0.10 -2.09 0.03 0.00 0.00 0.00 0.00 46.02 43.86 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 2.59 -0.11 1.61 7.27 -1.26 -4.25 117.38 123.23 1u97 n GLN 42 Ca 0.00 -0.42 -0.22 0.00 0.07 0.00 0.00 57.00 56.43 1u97 n GLN 42 Cb 0.00 -0.93 -0.12 0.00 2.41 0.00 0.00 30.24 31.60 1u97 n GLN 42 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 1u97 n ASP 43 N -0.41 1.99 -4.56 1.69 9.92 -1.26 -3.87 116.55 120.06 1u97 n ASP 43 Ca 0.02 0.06 -0.38 0.00 -0.53 0.00 0.00 54.79 53.96 1u97 n ASP 43 Cb 0.11 -0.61 -0.03 0.00 -0.64 0.00 0.00 41.12 39.96 1u97 n ASP 43 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 1u97 s SER 44 N -6.85 5.13 0.00 -2.24 0.01 -1.26 -2.80 113.70 105.68 1u97 s SER 44 Ca -0.34 0.65 0.00 0.00 1.31 0.00 0.00 55.95 57.58 1u97 s SER 44 Cb 0.10 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.81 1u97 s SER 44 CO 0.60 -2.43 0.00 1.21 0.41 0.00 0.00 173.24 173.03 1u97 n GLU 45 N 9.05 -0.74 -1.27 12.44 2.13 -1.26 -3.13 120.64 137.87 1u97 n GLU 45 Ca 0.25 0.18 -0.10 0.00 0.66 0.00 0.00 57.16 58.15 1u97 n GLU 45 Cb 0.52 -4.46 -0.04 0.00 0.27 0.00 0.00 31.44 27.73 1u97 n GLU 45 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1u97 n LYS 46 N -0.95 -1.26 -2.75 5.31 5.02 -1.12 -1.19 118.16 121.23 1u97 n LYS 46 Ca 0.00 0.59 -0.15 0.00 -2.02 0.00 0.00 58.31 56.74 1u97 n LYS 46 Cb 0.18 -4.76 -0.00 0.00 -0.02 0.00 0.00 35.03 30.43 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 -0.32 0.00 0.03 0.00 1.57 -1.48 -1.46 116.57 114.90 1u97 h LYS 48 Ca -0.31 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.47 1u97 h LYS 48 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 1u97 h LYS 48 CO 0.37 0.00 -0.01 0.93 -0.57 0.00 0.00 179.45 180.16 1u97 h GLU 49 N 0.00 -0.04 -0.05 3.15 5.08 -1.86 -1.65 114.58 119.21 1u97 h GLU 49 Ca 0.03 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.27 1u97 h GLU 49 Cb 0.30 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1u97 h GLU 49 CO -0.00 0.44 -0.56 0.74 -1.00 0.00 0.00 179.01 178.63 1u97 h PHE 50 N -0.53 0.18 0.24 4.33 -1.00 -1.78 -1.57 116.94 116.80 1u97 h PHE 50 Ca -0.00 -0.06 -0.01 0.00 2.81 0.00 0.00 57.97 60.70 1u97 h PHE 50 Cb 0.50 -0.03 0.00 0.00 3.61 0.00 0.00 35.95 40.02 1u97 h PHE 50 CO 0.09 0.67 -0.12 0.82 -1.61 0.00 0.00 178.31 178.17 1u97 h ILE 51 N 0.11 0.80 -0.52 -0.55 2.04 -1.32 -1.77 117.51 116.30 1u97 h ILE 51 Ca -0.00 -0.74 -0.06 0.00 1.00 0.00 0.00 64.86 65.06 1u97 h ILE 51 Cb 1.02 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 38.27 1u97 h ILE 51 CO 0.08 0.15 0.07 1.05 0.00 0.00 0.00 178.15 179.50 1u97 h GLU 52 N -0.73 0.84 -0.17 2.37 4.11 -1.34 -1.13 114.58 118.53 1u97 h GLU 52 Ca -0.03 -0.20 -0.00 0.00 0.07 0.00 0.00 59.36 59.19 1u97 h GLU 52 Cb 0.49 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1u97 h GLU 52 CO 0.05 0.80 0.09 -0.22 0.07 0.00 0.00 179.01 179.80 1u97 h LYS 53 N 0.79 0.24 -0.13 1.06 3.64 -1.30 -1.52 116.57 119.36 1u97 h LYS 53 Ca 0.16 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.41 1u97 h LYS 53 Cb 0.38 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 1u97 h LYS 53 CO 0.01 0.23 -0.38 -0.92 -2.27 0.00 0.00 179.45 176.12 1u97 h TYR 54 N 0.18 0.31 -0.02 1.91 3.20 -1.18 -0.89 116.97 120.48 1u97 h TYR 54 Ca 0.06 -0.08 -0.00 0.00 3.14 0.00 0.00 58.73 61.85 1u97 h TYR 54 Cb 0.07 -0.07 -0.00 0.00 1.54 0.00 0.00 36.73 38.26 1u97 h TYR 54 CO -0.04 0.62 0.00 -0.22 -1.64 0.00 0.00 178.16 176.88 1u97 h LYS 55 N 0.23 0.03 -0.12 1.82 3.64 -0.89 -1.35 116.57 119.94 1u97 h LYS 55 Ca 0.02 -0.01 -0.23 0.00 -1.27 0.00 0.00 60.65 59.17 1u97 h LYS 55 Cb 0.79 -0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.61 1u97 h LYS 55 CO 0.06 0.25 -0.83 1.05 -2.27 0.00 0.00 179.45 177.71 1u97 h GLU 56 N -0.20 0.76 -0.68 1.90 4.11 -1.27 -1.93 114.58 117.26 1u97 h GLU 56 Ca 0.01 -0.66 -0.01 0.00 0.07 0.00 0.00 59.36 58.76 1u97 h GLU 56 Cb 0.23 0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 1u97 h GLU 56 CO 0.00 1.26 0.37 0.00 0.07 0.00 0.00 179.01 180.71 1u97 h MET 58 N 0.95 0.20 0.00 0.00 1.85 -1.25 -3.20 114.93 113.49 1u97 h MET 58 Ca 0.24 -0.20 0.00 0.00 -0.61 0.00 0.00 59.70 59.13 1u97 h MET 58 Cb 0.03 0.05 0.00 0.00 0.43 0.00 0.00 31.60 32.11 1u97 h MET 58 CO -0.04 0.91 0.00 -0.22 -0.40 0.00 0.00 176.91 177.16 1u97 h LYS 59 N -0.43 0.00 0.00 0.39 3.64 -1.17 -2.45 116.57 116.55 1u97 h LYS 59 Ca -0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1u97 h LYS 59 Cb 0.99 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 1u97 h LYS 59 CO 0.05 0.00 0.00 0.78 -2.27 0.00 0.00 179.45 178.01 1u97 h GLY 60 N 1.52 0.00 -0.98 5.01 0.00 -0.62 -2.83 103.07 105.18 1u97 h GLY 60 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1u97 h GLY 60 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 176.54 174.82 1u97 n TYR 61 N -2.87 0.31 0.00 5.60 4.01 -0.93 -5.05 117.16 118.23 1u97 n TYR 61 Ca 0.01 -0.41 0.00 0.00 -0.16 0.00 0.00 57.90 57.34 1u97 n TYR 61 Cb 0.30 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.30 1u97 n TYR 61 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1u97 n GLY 62 N 0.35 0.03 4.01 2.72 0.00 -1.07 -4.70 105.19 106.54 1u97 n GLY 62 Ca 0.09 0.47 -0.17 0.00 0.00 0.00 0.00 46.02 46.41 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 2.52 2.77 1.01 1.61 5.36 -1.26 -4.79 117.98 125.19 1u97 s PHE 63 Ca 0.00 -0.41 -0.15 0.00 -0.96 0.00 0.00 56.93 55.41 1u97 s PHE 63 Cb 0.00 -2.37 0.07 0.00 -0.34 0.00 0.00 43.02 40.38 1u97 s PHE 63 CO 0.00 -0.43 0.31 -1.91 -1.46 0.00 0.00 175.22 171.72 1u97 n GLU 64 N -1.85 -0.78 -1.58 10.12 2.13 -1.26 -3.79 120.64 123.62 1u97 n GLU 64 Ca 0.08 -0.19 -0.49 0.00 0.66 0.00 0.00 57.16 57.21 1u97 n GLU 64 Cb 0.59 -1.82 -0.04 0.00 0.27 0.00 0.00 31.44 30.43 1u97 n GLU 64 CO 0.00 0.00 0.00 1.55 -0.41 0.00 0.00 177.13 178.27 1u97 n VAL 65 N -3.92 0.69 -1.63 6.31 3.14 -1.26 -4.77 118.33 116.88 1u97 n VAL 65 Ca 0.05 -0.17 -0.52 0.00 -2.96 0.00 0.00 64.34 60.74 1u97 n VAL 65 Cb 0.56 -0.86 -0.06 0.00 -1.06 0.00 0.00 33.84 32.42 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 1.95 1.59 -0.13 1.45 -0.04 -1.26 -4.86 135.00 133.69 1u97 n PRO 66 Ca 0.16 0.55 -0.27 0.00 -0.04 0.00 0.00 63.50 63.90 1u97 n PRO 66 Cb 0.24 -2.45 -0.09 0.00 -0.04 0.00 0.00 33.50 31.16 1u97 n PRO 66 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1u97 n SER 67 N 7.18 1.88 -0.09 3.54 7.64 -1.26 -4.77 113.62 127.73 1u97 n SER 67 Ca 0.29 0.33 -0.22 0.00 1.01 0.00 0.00 58.87 60.28 1u97 n SER 67 Cb 0.23 -0.78 -0.12 0.00 -1.01 0.00 0.00 64.21 62.53 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 -4.22 1.16 0.75 -0.43 0.00 -1.26 -5.32 120.51 111.20 1u97 n ALA 68 Ca -0.50 -0.89 0.06 0.00 0.00 0.00 0.00 53.44 52.11 1u97 n ALA 68 Cb 0.85 -0.28 0.36 0.00 0.00 0.00 0.00 19.45 20.38 1u97 n ALA 68 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59