#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gh1 s ASP 2 N 0.00 6.28 -1.49 4.38 -1.08 -1.26 -4.77 116.67 118.73 1gh1 s ASP 2 Ca 0.00 2.92 -0.13 0.00 -0.52 0.00 0.00 52.55 54.82 1gh1 s ASP 2 Cb 0.00 -2.66 0.02 0.00 -1.46 0.00 0.00 42.92 38.82 1gh1 s ASP 2 CO 0.00 -0.90 2.38 0.00 0.52 0.00 0.00 175.17 177.17 1gh1 n GLY 4 N 3.91 -0.41 0.09 0.00 0.00 -1.26 -4.42 105.19 103.11 1gh1 n GLY 4 Ca 0.57 -0.13 -0.11 0.00 0.00 0.00 0.00 46.02 46.35 1gh1 n GLY 4 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1gh1 h HIS 5 N -0.86 0.11 -0.86 1.61 2.76 -2.00 -3.36 115.15 112.56 1gh1 h HIS 5 Ca -0.64 -0.08 0.13 0.00 -2.20 0.00 0.00 60.37 57.58 1gh1 h HIS 5 Cb 1.58 -0.00 -0.07 0.00 1.55 0.00 0.00 27.41 30.47 1gh1 h HIS 5 CO -0.08 1.17 0.56 0.28 -1.30 0.00 0.00 177.93 178.56 1gh1 h VAL 6 N 0.02 0.87 0.11 5.26 2.07 -1.83 -2.74 116.25 120.01 1gh1 h VAL 6 Ca -0.31 -0.24 0.01 0.00 0.82 0.00 0.00 66.70 66.99 1gh1 h VAL 6 Cb 2.01 0.10 -0.05 0.00 -1.52 0.00 0.00 31.29 31.84 1gh1 h VAL 6 CO 0.08 0.13 -0.52 0.44 0.02 0.00 0.00 177.57 177.72 1gh1 h ASP 7 N 0.71 -1.57 -0.05 0.57 5.19 -1.77 -0.69 116.42 118.80 1gh1 h ASP 7 Ca 0.42 0.17 0.02 0.00 -0.62 0.00 0.00 57.03 57.02 1gh1 h ASP 7 Cb 0.63 0.58 -0.00 0.00 0.18 0.00 0.00 39.33 40.72 1gh1 h ASP 7 CO -0.18 -0.55 0.06 -1.28 -3.12 0.00 0.00 179.24 174.16 1gh1 h SER 8 N -0.74 0.00 0.19 6.45 0.87 -1.71 0.90 113.55 119.50 1gh1 h SER 8 Ca -0.00 0.00 -0.23 0.00 -1.23 0.00 0.00 61.79 60.33 1gh1 h SER 8 Cb 0.75 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.72 1gh1 h SER 8 CO -0.29 0.00 -0.93 -0.07 -0.53 0.00 0.00 176.83 175.01 1gh1 h LEU 9 N 0.00 0.67 -0.71 2.23 3.38 -0.97 -3.27 115.31 116.64 1gh1 h LEU 9 Ca 0.03 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1gh1 h LEU 9 Cb 0.14 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1gh1 h LEU 9 CO -0.00 1.31 -0.42 1.33 0.09 0.00 0.00 178.44 180.75 1gh1 n VAL 10 N -3.80 0.00 -0.08 1.22 0.24 -0.40 -4.21 118.33 111.30 1gh1 n VAL 10 Ca -0.08 -0.18 -0.09 0.00 -2.04 0.00 0.00 64.34 61.95 1gh1 n VAL 10 Cb 0.82 0.86 0.07 0.00 -1.47 0.00 0.00 33.84 34.12 1gh1 n VAL 10 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1gh1 h ARG 11 N 1.74 0.77 0.00 7.34 9.65 -0.90 -3.22 114.38 129.76 1gh1 h ARG 11 Ca 0.00 -0.35 -0.05 0.00 -1.10 0.00 0.00 59.98 58.48 1gh1 h ARG 11 Cb 0.63 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.19 1gh1 h ARG 11 CO 0.00 0.97 -0.25 -1.00 2.80 0.00 0.00 179.97 182.49 1gh1 h PRO 12 N 0.65 0.00 -0.00 0.20 0.13 -1.76 -2.80 132.00 128.42 1gh1 h PRO 12 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1gh1 h PRO 12 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 1gh1 h PRO 12 CO 0.07 0.25 -0.28 0.00 -0.23 0.00 0.00 178.00 177.81 1gh1 h LEU 14 N 0.08 0.36 -2.35 0.00 5.85 -1.54 -2.76 115.31 114.94 1gh1 h LEU 14 Ca 0.00 -0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.63 1gh1 h LEU 14 Cb 0.49 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.42 1gh1 h LEU 14 CO 0.00 0.64 0.18 0.28 -0.34 0.00 0.00 178.44 179.19 1gh1 h SER 15 N 0.31 0.00 0.05 1.25 0.02 -1.69 -2.12 113.55 111.37 1gh1 h SER 15 Ca 0.04 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.69 1gh1 h SER 15 Cb 0.66 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.17 1gh1 h SER 15 CO 0.05 0.00 -1.66 0.00 -1.14 0.00 0.00 176.83 174.07 1gh1 n TYR 16 N -3.50 1.05 -0.20 3.45 9.36 -1.05 -3.38 117.16 122.89 1gh1 n TYR 16 Ca -0.00 0.34 0.18 0.00 3.32 0.00 0.00 57.90 61.73 1gh1 n TYR 16 Cb 0.28 -1.12 0.52 0.00 -0.63 0.00 0.00 39.34 38.39 1gh1 n TYR 16 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 1gh1 h VAL 17 N -0.53 0.73 0.00 2.97 2.07 -1.33 0.14 116.25 120.30 1gh1 h VAL 17 Ca -0.40 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 66.98 1gh1 h VAL 17 Cb 1.64 0.31 -0.00 0.00 -1.52 0.00 0.00 31.29 31.73 1gh1 h VAL 17 CO -0.09 0.07 -0.00 0.06 0.02 0.00 0.00 177.57 177.62 1gh1 h GLN 18 N 0.38 0.00 0.00 1.57 3.07 -1.56 -2.67 115.11 115.90 1gh1 h GLN 18 Ca 0.42 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.16 1gh1 h GLN 18 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.60 1gh1 h GLN 18 CO -0.14 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.20 1gh1 n GLY 19 N -0.40 0.86 1.36 0.06 0.00 0.49 -4.76 105.19 102.80 1gh1 n GLY 19 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 1gh1 n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gh1 n GLY 20 N 0.00 3.67 3.77 -0.02 0.00 -1.20 -5.06 105.19 106.34 1gh1 n GLY 20 Ca 0.00 -1.89 -0.38 0.00 0.00 0.00 0.00 46.02 43.75 1gh1 n GLY 20 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1gh1 s PRO 21 N -2.61 4.09 0.00 1.61 0.04 -1.26 -4.52 135.00 132.35 1gh1 s PRO 21 Ca 0.12 1.86 0.00 0.00 0.04 0.00 0.00 61.00 63.02 1gh1 s PRO 21 Cb 0.01 -2.71 0.00 0.00 0.04 0.00 0.00 34.50 31.83 1gh1 s PRO 21 CO 0.09 -0.30 0.00 0.41 0.04 0.00 0.00 177.00 177.24 1gh1 n GLY 22 N 0.66 -0.01 0.00 0.56 0.00 -1.26 -4.39 105.19 100.74 1gh1 n GLY 22 Ca 0.04 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.89 1gh1 n GLY 22 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1gh1 n PRO 23 N 0.00 0.00 0.00 1.61 -0.04 -1.26 -4.95 135.00 130.36 1gh1 n PRO 23 Ca 0.00 0.45 0.00 0.00 -0.04 0.00 0.00 63.50 63.91 1gh1 n PRO 23 Cb 0.00 -1.43 0.00 0.00 -0.04 0.00 0.00 33.50 32.03 1gh1 n PRO 23 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1gh1 n SER 24 N -1.82 0.00 -0.49 3.54 3.41 -1.26 -4.75 113.62 112.24 1gh1 n SER 24 Ca 0.00 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.69 1gh1 n SER 24 Cb 0.00 0.00 0.31 0.00 -0.26 0.00 0.00 64.21 64.26 1gh1 n SER 24 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1gh1 n GLY 25 N -0.00 0.18 0.05 5.00 0.00 -1.26 -3.51 105.19 105.65 1gh1 n GLY 25 Ca 0.00 -0.35 -0.03 0.00 0.00 0.00 0.00 46.02 45.64 1gh1 n GLY 25 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1gh1 n GLN 26 N 0.22 1.32 0.19 1.61 6.02 -1.26 -4.60 117.38 120.88 1gh1 n GLN 26 Ca 0.14 -0.05 -0.15 0.00 -0.01 0.00 0.00 57.00 56.93 1gh1 n GLN 26 Cb 0.27 -1.37 -0.08 0.00 1.02 0.00 0.00 30.24 30.09 1gh1 n GLN 26 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1gh1 n ASP 29 N -2.42 1.88 -0.05 0.00 2.03 -0.56 -2.85 116.55 114.57 1gh1 n ASP 29 Ca -0.02 0.41 -0.09 0.00 0.52 0.00 0.00 54.79 55.62 1gh1 n ASP 29 Cb 0.20 -0.93 0.07 0.00 -0.72 0.00 0.00 41.12 39.74 1gh1 n ASP 29 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 1gh1 h GLY 30 N -1.00 0.75 0.55 0.27 0.00 -0.22 -2.18 103.07 101.24 1gh1 h GLY 30 Ca -0.41 -0.74 -0.12 0.00 0.00 0.00 0.00 47.33 46.06 1gh1 h GLY 30 CO -0.25 0.67 -0.49 -2.08 0.00 0.00 0.00 176.54 174.40 1gh1 h VAL 31 N 0.57 1.54 -0.54 4.60 2.07 -0.30 -2.83 116.25 121.36 1gh1 h VAL 31 Ca 0.05 -2.22 0.05 0.00 0.82 0.00 0.00 66.70 65.40 1gh1 h VAL 31 Cb 0.91 2.95 -0.05 0.00 -1.52 0.00 0.00 31.29 33.58 1gh1 h VAL 31 CO 0.08 0.62 0.27 0.50 0.02 0.00 0.00 177.57 179.06 1gh1 h LYS 32 N -0.42 0.50 0.26 1.57 3.64 -1.57 -1.29 116.57 119.27 1gh1 h LYS 32 Ca -0.07 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.28 1gh1 h LYS 32 Cb 1.29 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.96 1gh1 h LYS 32 CO 0.09 0.33 -0.46 -0.91 -2.27 0.00 0.00 179.45 176.23 1gh1 h ASN 33 N 0.52 -1.33 0.05 4.20 2.35 -1.44 0.17 115.58 120.09 1gh1 h ASN 33 Ca 0.24 0.13 0.03 0.00 -0.55 0.00 0.00 56.30 56.15 1gh1 h ASN 33 Cb 0.16 0.48 -0.05 0.00 0.05 0.00 0.00 38.32 38.95 1gh1 h ASN 33 CO -0.17 -0.56 -0.39 0.25 -1.65 0.00 0.00 177.43 174.91 1gh1 h LEU 34 N -0.79 -1.17 -0.49 1.61 6.46 -1.22 0.47 115.31 120.18 1gh1 h LEU 34 Ca -0.01 0.14 0.10 0.00 -0.12 0.00 0.00 57.88 57.98 1gh1 h LEU 34 Cb 0.76 0.45 -0.10 0.00 -0.73 0.00 0.00 40.66 41.04 1gh1 h LEU 34 CO -0.18 -0.45 -0.26 -0.74 -0.62 0.00 0.00 178.44 176.18 1gh1 h HIS 35 N -0.58 -0.70 -0.83 1.25 2.76 -1.01 0.20 115.15 116.24 1gh1 h HIS 35 Ca 0.04 0.06 -0.02 0.00 -2.20 0.00 0.00 60.37 58.25 1gh1 h HIS 35 Cb 0.64 0.38 -0.04 0.00 1.55 0.00 0.00 27.41 29.94 1gh1 h HIS 35 CO -0.38 -0.34 0.44 -0.97 -1.30 0.00 0.00 177.93 175.39 1gh1 h ASN 36 N -0.15 1.05 -0.79 3.26 -1.24 -0.08 -2.64 115.58 114.99 1gh1 h ASN 36 Ca 0.22 -0.11 -0.04 0.00 0.71 0.00 0.00 56.30 57.08 1gh1 h ASN 36 Cb 0.50 -0.27 -0.04 0.00 0.73 0.00 0.00 38.32 39.25 1gh1 h ASN 36 CO -0.58 0.86 0.34 -0.61 -1.29 0.00 0.00 177.43 176.14 1gh1 h GLN 37 N 1.16 1.17 -5.73 6.67 4.15 0.18 -3.39 115.11 119.32 1gh1 h GLN 37 Ca 0.29 -0.19 -0.32 0.00 0.77 0.00 0.00 58.65 59.20 1gh1 h GLN 37 Cb 0.05 -0.20 -0.03 0.00 0.21 0.00 0.00 27.48 27.51 1gh1 h GLN 37 CO -0.04 0.93 0.86 0.00 -1.93 0.00 0.00 178.83 178.65 1gh1 s ALA 38 N -5.58 1.66 -0.91 3.38 0.00 0.51 -4.74 121.76 116.07 1gh1 s ALA 38 Ca -0.12 -1.08 0.10 0.00 0.00 0.00 0.00 51.96 50.86 1gh1 s ALA 38 Cb 0.16 -4.48 0.30 0.00 0.00 0.00 0.00 23.12 19.10 1gh1 s ALA 38 CO 0.83 -4.70 1.25 0.54 0.00 0.00 0.00 175.76 173.68 1gh1 n ARG 39 N 8.95 2.87 -2.62 0.00 1.74 -1.26 -4.84 116.66 121.49 1gh1 n ARG 39 Ca 0.36 -2.04 -0.07 0.00 -0.77 0.00 0.00 57.85 55.32 1gh1 n ARG 39 Cb 0.48 -1.26 -0.02 0.00 -1.02 0.00 0.00 32.46 30.64 1gh1 n ARG 39 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1gh1 n SER 40 N 0.50 2.07 -1.42 0.55 3.41 -1.26 -5.03 113.62 112.44 1gh1 n SER 40 Ca 0.11 -1.52 0.08 0.00 -0.26 0.00 0.00 58.87 57.28 1gh1 n SER 40 Cb 0.42 0.12 0.31 0.00 -0.26 0.00 0.00 64.21 64.80 1gh1 n SER 40 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1gh1 n GLN 41 N -0.28 3.33 -0.03 4.33 7.27 -1.26 -4.24 117.38 126.50 1gh1 n GLN 41 Ca -0.04 -2.49 -0.05 0.00 0.07 0.00 0.00 57.00 54.48 1gh1 n GLN 41 Cb 0.15 -1.80 -0.03 0.00 2.41 0.00 0.00 30.24 30.98 1gh1 n GLN 41 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 1gh1 n SER 42 N 1.00 2.23 -0.07 1.69 3.41 -1.26 -4.31 113.62 116.30 1gh1 n SER 42 Ca 0.23 0.01 0.10 0.00 -0.26 0.00 0.00 58.87 58.95 1gh1 n SER 42 Cb 0.78 -0.13 0.47 0.00 -0.26 0.00 0.00 64.21 65.06 1gh1 n SER 42 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 1gh1 h ASP 43 N -0.10 0.42 1.06 4.04 1.82 -1.95 0.14 116.42 121.85 1gh1 h ASP 43 Ca -0.15 0.00 -0.16 0.00 -0.39 0.00 0.00 57.03 56.34 1gh1 h ASP 43 Cb 1.18 -0.09 -0.02 0.00 0.68 0.00 0.00 39.33 41.08 1gh1 h ASP 43 CO -0.05 0.27 -1.00 0.08 -1.61 0.00 0.00 179.24 176.92 1gh1 h ARG 44 N 0.47 0.00 0.11 0.28 0.11 -1.83 -3.04 114.38 110.48 1gh1 h ARG 44 Ca 0.25 0.00 -0.27 0.00 0.10 0.00 0.00 59.98 60.07 1gh1 h ARG 44 Cb 0.39 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.47 1gh1 h ARG 44 CO -0.07 0.49 -1.19 1.96 0.10 0.00 0.00 179.97 181.26 1gh1 h GLN 45 N 0.00 0.31 0.58 0.08 4.20 -1.53 -2.85 115.11 115.91 1gh1 h GLN 45 Ca -0.08 -0.48 -0.03 0.00 0.06 0.00 0.00 58.65 58.11 1gh1 h GLN 45 Cb 1.56 0.17 0.01 0.00 0.30 0.00 0.00 27.48 29.52 1gh1 h GLN 45 CO 0.07 1.21 -0.28 0.77 -0.67 0.00 0.00 178.83 179.93 1gh1 h SER 46 N 0.11 -0.66 -0.10 1.46 0.02 -0.82 -2.47 113.55 111.08 1gh1 h SER 46 Ca -0.13 -0.03 0.01 0.00 -0.84 0.00 0.00 61.79 60.80 1gh1 h SER 46 Cb 1.90 0.17 -0.00 0.00 0.14 0.00 0.00 62.40 64.61 1gh1 h SER 46 CO 0.20 -0.30 0.07 0.00 -1.14 0.00 0.00 176.83 175.66 1gh1 h ALA 47 N -0.89 1.99 -0.39 3.77 0.00 -1.67 -1.17 119.26 120.91 1gh1 h ALA 47 Ca -0.08 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1gh1 h ALA 47 Cb 0.65 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1gh1 h ALA 47 CO 0.13 -0.01 0.23 0.00 0.00 0.00 0.00 179.25 179.60 1gh1 h ASN 49 N 0.51 0.85 -0.08 0.00 2.35 -0.73 -1.46 115.58 117.01 1gh1 h ASN 49 Ca 0.14 0.05 0.03 0.00 -0.55 0.00 0.00 56.30 55.97 1gh1 h ASN 49 Cb 0.00 -0.12 -0.06 0.00 0.05 0.00 0.00 38.32 38.19 1gh1 h ASN 49 CO -0.03 0.47 -0.47 0.00 -1.65 0.00 0.00 177.43 175.75 1gh1 h LEU 51 N -0.57 0.99 0.94 0.00 3.38 -1.36 -1.81 115.31 116.88 1gh1 h LEU 51 Ca 0.05 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1gh1 h LEU 51 Cb 0.67 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 41.18 1gh1 h LEU 51 CO -0.38 0.75 -0.45 0.50 0.09 0.00 0.00 178.44 178.94 1gh1 h LYS 52 N 1.15 -1.21 -0.91 1.13 3.11 -0.22 0.86 116.57 120.47 1gh1 h LYS 52 Ca 0.30 0.08 0.14 0.00 -2.81 0.00 0.00 60.65 58.36 1gh1 h LYS 52 Cb -0.07 0.28 -0.07 0.00 -1.00 0.00 0.00 32.23 31.36 1gh1 h LYS 52 CO -0.06 -0.81 0.58 0.78 -2.81 0.00 0.00 179.45 177.14 1gh1 h GLY 53 N -1.33 1.30 0.42 5.01 0.00 -0.50 -2.12 103.07 105.85 1gh1 h GLY 53 Ca -0.13 -0.33 -0.02 0.00 0.00 0.00 0.00 47.33 46.85 1gh1 h GLY 53 CO 0.21 0.11 -0.20 -2.22 0.00 0.00 0.00 176.54 174.43 1gh1 h ILE 54 N 0.76 0.00 -1.00 2.60 2.04 -1.14 -3.19 117.51 117.58 1gh1 h ILE 54 Ca 0.46 -0.18 0.39 0.00 1.00 0.00 0.00 64.86 66.52 1gh1 h ILE 54 Cb 0.66 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 36.57 1gh1 h ILE 54 CO -0.22 0.00 0.53 0.00 0.00 0.00 0.00 178.15 178.47 1gh1 h ALA 55 N -1.55 2.08 -0.60 1.87 0.00 -0.52 0.45 119.26 120.99 1gh1 h ALA 55 Ca -0.06 0.25 0.15 0.00 0.00 0.00 0.00 54.91 55.25 1gh1 h ALA 55 Cb 0.44 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 1gh1 h ALA 55 CO 0.10 -0.84 0.42 -0.09 0.00 0.00 0.00 179.25 178.83 1gh1 h ARG 56 N 0.09 0.13 -0.86 0.00 2.43 -1.37 -1.28 114.38 113.52 1gh1 h ARG 56 Ca 0.81 -0.01 -0.44 0.00 -0.81 0.00 0.00 59.98 59.53 1gh1 h ARG 56 Cb 2.06 -0.03 -0.26 0.00 -0.42 0.00 0.00 29.97 31.31 1gh1 h ARG 56 CO -0.73 0.09 0.50 0.41 -1.51 0.00 0.00 179.97 178.73 1gh1 n GLY 57 N -1.60 4.55 3.54 2.80 0.00 0.16 -4.93 105.19 109.70 1gh1 n GLY 57 Ca 0.11 -1.11 -0.34 0.00 0.00 0.00 0.00 46.02 44.68 1gh1 n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gh1 s ILE 58 N -3.28 4.18 -0.16 -0.61 -1.09 -0.48 -5.01 121.20 114.75 1gh1 s ILE 58 Ca 0.55 -0.25 -0.27 0.00 -2.23 0.00 0.00 60.65 58.44 1gh1 s ILE 58 Cb 0.46 -2.86 -0.24 0.00 -1.58 0.00 0.00 42.46 38.25 1gh1 s ILE 58 CO 0.09 0.48 0.62 -0.74 -1.23 0.00 0.00 174.94 174.15 1gh1 h HIS 59 N 6.78 0.00 -2.46 3.97 2.76 -1.91 -3.39 115.15 120.89 1gh1 h HIS 59 Ca -0.33 0.00 -0.66 0.00 -2.20 0.00 0.00 60.37 57.18 1gh1 h HIS 59 Cb 1.18 0.00 -0.38 0.00 1.55 0.00 0.00 27.41 29.76 1gh1 h HIS 59 CO 0.55 1.12 -0.24 -1.71 -1.30 0.00 0.00 177.93 176.35 1gh1 n ASN 60 N -4.56 4.39 -4.78 3.26 5.15 -1.26 -5.07 115.26 112.39 1gh1 n ASN 60 Ca -0.16 -3.41 -0.37 0.00 -0.60 0.00 0.00 54.58 50.04 1gh1 n ASN 60 Cb 0.53 -0.84 -0.04 0.00 -0.53 0.00 0.00 39.78 38.90 1gh1 n ASN 60 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1gh1 s LEU 61 N -2.46 4.22 -0.23 1.20 0.20 -1.26 -4.77 118.68 115.57 1gh1 s LEU 61 Ca 0.36 2.07 0.02 0.00 0.69 0.00 0.00 54.13 57.27 1gh1 s LEU 61 Cb 0.11 -4.08 0.05 0.00 -0.43 0.00 0.00 46.19 41.83 1gh1 s LEU 61 CO 0.00 -0.42 -0.11 0.21 -0.29 0.00 0.00 176.35 175.74 1gh1 s ASN 62 N -1.45 3.99 0.21 3.68 3.84 -1.01 -4.99 114.94 119.22 1gh1 s ASN 62 Ca 0.55 -1.18 -0.00 0.00 0.21 0.00 0.00 52.86 52.45 1gh1 s ASN 62 Cb -0.24 -1.41 0.18 0.00 -0.55 0.00 0.00 41.25 39.23 1gh1 s ASN 62 CO 0.30 -0.17 1.54 -0.33 -2.79 0.00 0.00 177.10 175.65 1gh1 h GLU 63 N 7.86 0.44 -0.59 0.43 4.39 -1.91 -2.90 114.58 122.31 1gh1 h GLU 63 Ca -0.23 -0.28 0.10 0.00 0.34 0.00 0.00 59.36 59.29 1gh1 h GLU 63 Cb 1.07 0.03 -0.08 0.00 -0.10 0.00 0.00 28.75 29.67 1gh1 h GLU 63 CO 0.47 0.87 0.15 0.22 -1.16 0.00 0.00 179.01 179.57 1gh1 h ASP 64 N 0.34 0.07 -0.02 1.42 3.58 -1.94 0.48 116.42 120.35 1gh1 h ASP 64 Ca 0.01 0.10 -0.05 0.00 0.42 0.00 0.00 57.03 57.50 1gh1 h ASP 64 Cb 1.07 0.12 0.00 0.00 1.72 0.00 0.00 39.33 42.24 1gh1 h ASP 64 CO 0.10 0.05 -0.20 0.78 -2.88 0.00 0.00 179.24 177.09 1gh1 h ASN 65 N 0.30 0.21 -0.86 2.28 2.35 -1.86 -1.57 115.58 116.44 1gh1 h ASN 65 Ca 0.31 -0.71 0.17 0.00 -0.55 0.00 0.00 56.30 55.52 1gh1 h ASN 65 Cb 0.43 -0.06 -0.10 0.00 0.05 0.00 0.00 38.32 38.63 1gh1 h ASN 65 CO -0.36 0.89 0.41 0.00 -1.65 0.00 0.00 177.43 176.72 1gh1 h ALA 66 N 0.33 1.31 0.00 -0.83 0.00 -1.25 0.32 119.26 119.14 1gh1 h ALA 66 Ca -0.02 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1gh1 h ALA 66 Cb 0.90 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1gh1 h ALA 66 CO 0.04 -0.17 -0.05 -0.09 0.00 0.00 0.00 179.25 178.98 1gh1 h ARG 67 N 0.55 0.00 -0.00 0.00 2.43 -0.95 -3.21 114.38 113.19 1gh1 h ARG 67 Ca 0.49 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.66 1gh1 h ARG 67 Cb 0.77 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.32 1gh1 h ARG 67 CO -0.41 0.00 -0.22 0.43 -1.51 0.00 0.00 179.97 178.26 1gh1 n SER 68 N -2.45 0.70 0.04 -3.80 7.64 0.11 -4.13 113.62 111.73 1gh1 n SER 68 Ca 0.05 -0.62 -0.03 0.00 1.01 0.00 0.00 58.87 59.28 1gh1 n SER 68 Cb 0.46 0.04 -0.01 0.00 -1.01 0.00 0.00 64.21 63.68 1gh1 n SER 68 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1gh1 h ILE 69 N 0.76 0.00 -0.84 0.44 2.04 -1.38 -3.36 117.51 115.16 1gh1 h ILE 69 Ca 0.00 -0.76 0.04 0.00 1.00 0.00 0.00 64.86 65.14 1gh1 h ILE 69 Cb 0.45 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.48 1gh1 h ILE 69 CO 0.00 0.00 0.54 1.55 0.00 0.00 0.00 178.15 180.24 1gh1 h PRO 70 N -0.94 1.01 0.00 2.37 0.13 -1.76 -1.86 132.00 130.95 1gh1 h PRO 70 Ca -0.02 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 1gh1 h PRO 70 Cb 0.14 -0.23 0.00 0.00 0.13 0.00 0.00 31.00 31.05 1gh1 h PRO 70 CO 0.03 0.67 0.00 -1.00 -0.23 0.00 0.00 178.00 177.47 1gh1 h PRO 71 N 1.04 0.00 0.00 1.56 0.13 -1.75 -3.05 132.00 129.93 1gh1 h PRO 71 Ca 0.34 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 65.21 1gh1 h PRO 71 Cb 0.03 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.11 1gh1 h PRO 71 CO -0.12 0.00 -1.98 0.36 -0.23 0.00 0.00 178.00 176.03 1gh1 n LYS 72 N -2.61 1.02 0.02 0.86 2.85 -1.02 -4.64 118.16 114.63 1gh1 n LYS 72 Ca -0.01 0.05 -0.10 0.00 -1.05 0.00 0.00 58.31 57.20 1gh1 n LYS 72 Cb 0.12 -1.35 -0.05 0.00 -0.65 0.00 0.00 35.03 33.10 1gh1 n LYS 72 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1gh1 n GLY 74 N -1.17 1.36 0.01 0.00 0.00 -1.16 -4.99 105.19 99.24 1gh1 n GLY 74 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1gh1 n GLY 74 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1gh1 n VAL 75 N -0.62 0.17 -3.25 1.61 0.24 -1.26 -5.08 118.33 110.14 1gh1 n VAL 75 Ca 0.00 -0.18 -0.14 0.00 -2.04 0.00 0.00 64.34 61.98 1gh1 n VAL 75 Cb 0.00 -0.20 0.01 0.00 -1.47 0.00 0.00 33.84 32.18 1gh1 n VAL 75 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1gh1 n ASN 76 N -1.93 -6.77 -4.72 -1.34 5.15 -1.24 -4.93 115.26 99.48 1gh1 n ASN 76 Ca -0.05 -0.14 -0.35 0.00 -0.60 0.00 0.00 54.58 53.44 1gh1 n ASN 76 Cb 0.40 -3.87 0.09 0.00 -0.53 0.00 0.00 39.78 35.86 1gh1 n ASN 76 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1gh1 s LEU 77 N -3.61 3.39 0.00 1.20 1.02 -1.26 -4.90 118.68 114.51 1gh1 s LEU 77 Ca 0.13 2.44 0.14 0.00 0.02 0.00 0.00 54.13 56.86 1gh1 s LEU 77 Cb -0.02 -4.60 0.46 0.00 0.02 0.00 0.00 46.19 42.04 1gh1 s LEU 77 CO 0.81 -2.21 1.35 -0.81 0.02 0.00 0.00 176.35 175.51 1gh1 n PRO 78 N -2.50 1.77 -3.57 1.29 -0.04 -1.26 -4.92 135.00 125.78 1gh1 n PRO 78 Ca 0.14 -1.19 -0.06 0.00 -0.04 0.00 0.00 63.50 62.35 1gh1 n PRO 78 Cb 0.50 -1.31 -0.02 0.00 -0.04 0.00 0.00 33.50 32.63 1gh1 n PRO 78 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1gh1 s TYR 79 N -1.62 -0.25 0.06 0.54 -0.85 -1.26 -4.87 117.35 109.09 1gh1 s TYR 79 Ca 0.26 0.11 -0.01 0.00 -0.52 0.00 0.00 57.07 56.91 1gh1 s TYR 79 Cb 0.14 0.55 0.01 0.00 0.38 0.00 0.00 41.96 43.03 1gh1 s TYR 79 CO 0.19 -0.50 0.10 -2.37 -1.52 0.00 0.00 175.55 171.45 1gh1 n THR 80 N -0.26 0.00 -2.26 -3.49 5.66 -1.26 -5.06 114.28 107.61 1gh1 n THR 80 Ca -0.06 -0.20 -0.34 0.00 -3.05 0.00 0.00 64.05 60.40 1gh1 n THR 80 Cb 0.61 0.16 -0.04 0.00 -1.55 0.00 0.00 70.33 69.51 1gh1 n THR 80 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 175.07 171.51 1gh1 s ILE 81 N -2.72 3.62 0.20 1.09 2.07 -1.26 -4.55 121.20 119.65 1gh1 s ILE 81 Ca 0.03 -0.38 -0.11 0.00 -1.41 0.00 0.00 60.65 58.78 1gh1 s ILE 81 Cb -0.01 -4.42 0.04 0.00 0.13 0.00 0.00 42.46 38.21 1gh1 s ILE 81 CO 0.02 -1.34 0.57 -0.24 -1.91 0.00 0.00 174.94 172.04 1gh1 n SER 82 N 11.80 -1.35 -0.74 4.50 2.88 -1.26 -4.88 113.62 124.57 1gh1 n SER 82 Ca 0.33 -1.86 0.06 0.00 -1.33 0.00 0.00 58.87 56.06 1gh1 n SER 82 Cb 0.49 2.23 0.17 0.00 -0.75 0.00 0.00 64.21 66.35 1gh1 n SER 82 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1gh1 n LEU 83 N 0.00 2.34 -0.06 2.46 4.32 -1.26 -4.67 117.00 120.13 1gh1 n LEU 83 Ca -0.04 -3.48 -0.04 0.00 -0.02 0.00 0.00 56.01 52.43 1gh1 n LEU 83 Cb 0.38 -0.42 -0.01 0.00 -1.62 0.00 0.00 43.42 41.75 1gh1 n LEU 83 CO 0.16 1.19 -0.31 0.59 -1.22 0.00 0.00 177.39 177.80 1gh1 n ASN 84 N -0.82 1.52 -4.83 -1.43 3.02 -1.26 -4.94 115.26 106.51 1gh1 n ASN 84 Ca 0.16 0.55 -0.31 0.00 -0.03 0.00 0.00 54.58 54.94 1gh1 n ASN 84 Cb 0.77 -0.80 0.02 0.00 -0.61 0.00 0.00 39.78 39.17 1gh1 n ASN 84 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1gh1 s ILE 85 N -2.09 4.22 -0.19 2.41 -5.25 -1.26 -4.98 121.20 114.05 1gh1 s ILE 85 Ca -0.13 0.82 0.13 0.00 -0.99 0.00 0.00 60.65 60.47 1gh1 s ILE 85 Cb 0.02 -3.55 0.39 0.00 2.95 0.00 0.00 42.46 42.27 1gh1 s ILE 85 CO 0.20 -0.84 1.21 0.47 -1.79 0.00 0.00 174.94 174.18 1gh1 n ASP 86 N -2.64 1.84 -0.67 4.36 9.92 -1.26 -4.95 116.55 123.15 1gh1 n ASP 86 Ca 0.07 -3.73 -0.06 0.00 -0.53 0.00 0.00 54.79 50.54 1gh1 n ASP 86 Cb 0.54 -0.51 -0.03 0.00 -0.64 0.00 0.00 41.12 40.48 1gh1 n ASP 86 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1gh1 n SER 88 N 0.02 1.03 -2.99 0.00 3.41 -1.26 -4.74 113.62 109.08 1gh1 n SER 88 Ca -0.06 0.17 -0.38 0.00 -0.26 0.00 0.00 58.87 58.34 1gh1 n SER 88 Cb 0.37 -0.41 0.03 0.00 -0.26 0.00 0.00 64.21 63.94 1gh1 n SER 88 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1gh1 n ARG 89 N -3.65 3.34 0.00 4.33 0.63 -1.26 -5.16 116.66 114.89 1gh1 n ARG 89 Ca -0.21 -3.91 0.04 0.00 -0.92 0.00 0.00 57.85 52.86 1gh1 n ARG 89 Cb 0.58 -2.30 0.04 0.00 0.45 0.00 0.00 32.46 31.22 1gh1 n ARG 89 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45