#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gh1 n ASP 2 N 0.00 0.00 -1.74 4.38 9.92 -1.26 -2.53 116.55 125.32 1gh1 n ASP 2 Ca 0.00 0.00 -0.01 0.00 -0.53 0.00 0.00 54.79 54.25 1gh1 n ASP 2 Cb 0.00 0.00 0.04 0.00 -0.64 0.00 0.00 41.12 40.52 1gh1 n ASP 2 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1gh1 h GLY 4 N 0.35 0.00 1.14 0.00 0.00 -1.94 -3.33 103.07 99.30 1gh1 h GLY 4 Ca -0.22 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 46.82 1gh1 h GLY 4 CO -0.10 0.00 -1.60 0.84 0.00 0.00 0.00 176.54 175.68 1gh1 h HIS 5 N -1.00 0.22 -0.55 5.60 6.17 -1.96 -3.34 115.15 120.30 1gh1 h HIS 5 Ca -0.12 -0.16 0.00 0.00 0.71 0.00 0.00 60.37 60.80 1gh1 h HIS 5 Cb 0.77 -0.01 -0.03 0.00 2.52 0.00 0.00 27.41 30.67 1gh1 h HIS 5 CO -0.08 1.24 0.36 0.28 0.71 0.00 0.00 177.93 180.44 1gh1 h VAL 6 N 0.03 1.14 0.20 5.26 2.07 -1.88 -2.79 116.25 120.29 1gh1 h VAL 6 Ca -0.26 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 66.99 1gh1 h VAL 6 Cb 1.99 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 32.08 1gh1 h VAL 6 CO 0.11 0.14 -0.31 -0.78 0.02 0.00 0.00 177.57 176.76 1gh1 h ASP 7 N 0.74 -0.88 -0.04 0.57 3.58 -1.68 -0.11 116.42 118.60 1gh1 h ASP 7 Ca 0.20 0.08 0.01 0.00 0.42 0.00 0.00 57.03 57.74 1gh1 h ASP 7 Cb -0.07 0.31 -0.00 0.00 1.72 0.00 0.00 39.33 41.28 1gh1 h ASP 7 CO -0.04 -0.37 0.16 -1.28 -2.88 0.00 0.00 179.24 174.82 1gh1 h SER 8 N -0.54 0.00 0.86 2.28 0.87 -1.72 0.28 113.55 115.59 1gh1 h SER 8 Ca -0.02 0.00 -0.23 0.00 -1.23 0.00 0.00 61.79 60.30 1gh1 h SER 8 Cb 0.49 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.43 1gh1 h SER 8 CO -0.09 0.00 -1.13 -0.07 -0.53 0.00 0.00 176.83 175.00 1gh1 h LEU 9 N 0.00 0.09 0.00 2.23 3.38 -0.94 -3.35 115.31 116.72 1gh1 h LEU 9 Ca 0.02 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1gh1 h LEU 9 Cb 0.33 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1gh1 h LEU 9 CO -0.00 1.08 -1.69 1.33 0.09 0.00 0.00 178.44 179.26 1gh1 n VAL 10 N -3.36 0.00 -0.20 1.22 0.24 -0.18 -3.86 118.33 112.20 1gh1 n VAL 10 Ca -0.04 -0.34 -0.06 0.00 -2.04 0.00 0.00 64.34 61.86 1gh1 n VAL 10 Cb 0.97 0.31 0.04 0.00 -1.47 0.00 0.00 33.84 33.69 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 0.00 0.72 0.00 7.34 9.65 -0.65 -2.91 114.38 128.53 1gh1 h ARG 11 Ca 0.00 -0.04 -0.01 0.00 -1.10 0.00 0.00 59.98 58.83 1gh1 h ARG 11 Cb 0.84 -0.16 -0.00 0.00 -1.39 0.00 0.00 29.97 29.26 1gh1 h ARG 11 CO 0.00 0.48 -0.06 -1.00 2.80 0.00 0.00 179.97 182.19 1gh1 h PRO 12 N 0.74 0.00 0.00 0.20 0.13 -1.79 -2.18 132.00 129.10 1gh1 h PRO 12 Ca 0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.35 1gh1 h PRO 12 Cb -0.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.08 1gh1 h PRO 12 CO -0.07 0.06 0.00 0.00 -0.23 0.00 0.00 178.00 177.76 1gh1 h LEU 14 N 0.00 0.00 -1.88 0.00 4.07 -1.48 -2.69 115.31 113.34 1gh1 h LEU 14 Ca 0.00 0.00 0.22 0.00 0.08 0.00 0.00 57.88 58.18 1gh1 h LEU 14 Cb 0.73 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.44 1gh1 h LEU 14 CO 0.00 0.12 0.66 0.28 -1.08 0.00 0.00 178.44 178.42 1gh1 h SER 15 N 0.00 0.00 0.02 -0.43 0.02 -1.70 0.21 113.55 111.67 1gh1 h SER 15 Ca -0.00 0.00 -0.40 0.00 -0.84 0.00 0.00 61.79 60.55 1gh1 h SER 15 Cb 0.30 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.78 1gh1 h SER 15 CO 0.02 0.00 -2.33 0.00 -1.14 0.00 0.00 176.83 173.38 1gh1 n TYR 16 N -3.88 0.27 0.04 3.45 9.36 -1.02 -4.00 117.16 121.38 1gh1 n TYR 16 Ca 0.15 0.08 0.11 0.00 3.32 0.00 0.00 57.90 61.57 1gh1 n TYR 16 Cb 0.93 -1.03 0.57 0.00 -0.63 0.00 0.00 39.34 39.17 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 -0.39 0.92 0.00 2.97 2.07 -1.18 -0.93 116.25 119.71 1gh1 h VAL 17 Ca -0.58 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 1gh1 h VAL 17 Cb 1.78 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 32.22 1gh1 h VAL 17 CO -0.18 0.04 -0.03 0.06 0.02 0.00 0.00 177.57 177.48 1gh1 h GLN 18 N 0.23 0.00 0.00 1.57 3.07 -0.82 -2.40 115.11 116.76 1gh1 h GLN 18 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.92 1gh1 h GLN 18 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.96 1gh1 h GLN 18 CO -0.03 0.03 0.00 0.41 0.09 0.00 0.00 178.83 179.33 1gh1 n GLY 19 N -1.17 1.52 0.00 0.06 0.00 -0.35 -4.66 105.19 100.58 1gh1 n GLY 19 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.31 4.69 3.77 -0.02 0.00 -1.24 -5.10 105.19 106.97 1gh1 n GLY 20 Ca 0.00 -1.63 -0.39 0.00 0.00 0.00 0.00 46.02 44.00 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 -0.69 4.29 0.00 1.61 0.04 -1.26 -4.57 135.00 134.42 1gh1 s PRO 21 Ca 0.00 1.92 0.00 0.00 0.04 0.00 0.00 61.00 62.96 1gh1 s PRO 21 Cb 0.00 -2.91 0.00 0.00 0.04 0.00 0.00 34.50 31.63 1gh1 s PRO 21 CO 0.00 -0.14 0.00 0.41 0.04 0.00 0.00 177.00 177.31 1gh1 n GLY 22 N 0.82 -0.43 0.18 0.56 0.00 -1.26 -4.41 105.19 100.64 1gh1 n GLY 22 Ca 0.02 -1.04 -0.07 0.00 0.00 0.00 0.00 46.02 44.93 1gh1 n GLY 22 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1gh1 h PRO 23 N 0.00 -0.41 0.00 1.61 0.13 -1.86 -3.45 132.00 128.02 1gh1 h PRO 23 Ca 0.00 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1gh1 h PRO 23 Cb 0.00 0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.22 1gh1 h PRO 23 CO 0.00 -0.28 0.00 -1.13 -0.23 0.00 0.00 178.00 176.36 1gh1 n SER 24 N -3.76 0.00 0.00 1.44 3.41 -1.26 -4.51 113.62 108.95 1gh1 n SER 24 Ca -0.05 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.69 1gh1 n SER 24 Cb 0.17 0.00 0.72 0.00 -0.26 0.00 0.00 64.21 64.84 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 -0.09 -1.04 0.00 5.00 0.00 -1.26 -2.63 105.19 105.17 1gh1 n GLY 25 Ca 0.00 -0.14 0.07 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.18 1.93 -0.13 1.61 6.02 -1.26 -4.28 117.38 120.09 1gh1 n GLN 26 Ca 0.15 -0.02 -0.09 0.00 -0.01 0.00 0.00 57.00 57.03 1gh1 n GLN 26 Cb 0.16 -1.21 -0.01 0.00 1.02 0.00 0.00 30.24 30.20 1gh1 n GLN 26 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1gh1 h ASP 29 N 0.00 0.10 -0.21 0.00 3.58 -1.72 -2.98 116.42 115.19 1gh1 h ASP 29 Ca -0.01 -0.64 -0.02 0.00 0.42 0.00 0.00 57.03 56.78 1gh1 h ASP 29 Cb 1.18 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 42.19 1gh1 h ASP 29 CO 0.03 1.52 0.06 1.23 -2.88 0.00 0.00 179.24 179.20 1gh1 h GLY 30 N -0.60 0.35 1.22 -0.78 0.00 -0.08 -2.26 103.07 100.91 1gh1 h GLY 30 Ca -0.33 -0.21 -0.26 0.00 0.00 0.00 0.00 47.33 46.53 1gh1 h GLY 30 CO -0.13 0.19 -1.01 -2.08 0.00 0.00 0.00 176.54 173.52 1gh1 h VAL 31 N 0.16 1.28 -0.54 4.60 2.07 -1.48 -2.37 116.25 119.97 1gh1 h VAL 31 Ca 0.07 -2.22 0.02 0.00 0.82 0.00 0.00 66.70 65.39 1gh1 h VAL 31 Cb 0.24 2.33 -0.03 0.00 -1.52 0.00 0.00 31.29 32.30 1gh1 h VAL 31 CO -0.00 0.69 0.33 0.50 0.02 0.00 0.00 177.57 179.11 1gh1 h LYS 32 N 0.41 0.65 0.70 1.57 3.64 -1.55 -0.18 116.57 121.80 1gh1 h LYS 32 Ca -0.12 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.19 1gh1 h LYS 32 Cb 1.66 -0.15 0.01 0.00 -0.41 0.00 0.00 32.23 33.34 1gh1 h LYS 32 CO 0.20 0.43 -0.34 -0.91 -2.27 0.00 0.00 179.45 176.56 1gh1 h ASN 33 N 0.67 -0.79 -0.08 4.20 2.35 -1.41 -1.00 115.58 119.52 1gh1 h ASN 33 Ca 0.21 0.01 0.04 0.00 -0.55 0.00 0.00 56.30 56.02 1gh1 h ASN 33 Cb -0.00 0.21 -0.06 0.00 0.05 0.00 0.00 38.32 38.51 1gh1 h ASN 33 CO -0.08 -0.54 -0.37 0.25 -1.65 0.00 0.00 177.43 175.04 1gh1 h LEU 34 N -0.99 -1.15 -0.32 1.61 5.85 -1.21 0.92 115.31 120.01 1gh1 h LEU 34 Ca -0.10 0.15 0.07 0.00 0.84 0.00 0.00 57.88 58.85 1gh1 h LEU 34 Cb 0.73 0.47 -0.08 0.00 0.37 0.00 0.00 40.66 42.15 1gh1 h LEU 34 CO 0.16 -0.41 -0.29 -0.74 -0.34 0.00 0.00 178.44 176.82 1gh1 h HIS 35 N -0.48 -0.79 -0.83 1.25 2.76 -1.00 0.28 115.15 116.33 1gh1 h HIS 35 Ca 0.07 0.05 0.11 0.00 -2.20 0.00 0.00 60.37 58.40 1gh1 h HIS 35 Cb 0.60 0.40 -0.08 0.00 1.55 0.00 0.00 27.41 29.88 1gh1 h HIS 35 CO -0.42 -0.36 0.46 -0.97 -1.30 0.00 0.00 177.93 175.33 1gh1 h ASN 36 N -0.26 0.62 -0.56 3.26 -0.73 -0.62 -1.82 115.58 115.46 1gh1 h ASN 36 Ca 0.16 0.06 -0.10 0.00 1.87 0.00 0.00 56.30 58.29 1gh1 h ASN 36 Cb 0.51 -0.05 -0.02 0.00 0.27 0.00 0.00 38.32 39.03 1gh1 h ASN 36 CO -0.47 0.33 -0.05 -0.61 -0.37 0.00 0.00 177.43 176.26 1gh1 h GLN 37 N 0.73 1.02 -5.40 6.67 4.15 0.97 -3.37 115.11 119.88 1gh1 h GLN 37 Ca 0.42 -0.35 -0.44 0.00 0.77 0.00 0.00 58.65 59.05 1gh1 h GLN 37 Cb 0.46 -0.08 -0.04 0.00 0.21 0.00 0.00 27.48 28.04 1gh1 h GLN 37 CO -0.29 1.04 1.48 0.00 -1.93 0.00 0.00 178.83 179.13 1gh1 n ALA 38 N -2.48 2.40 0.58 3.38 0.00 0.80 -4.63 120.51 120.56 1gh1 n ALA 38 Ca 0.02 -3.23 0.11 0.00 0.00 0.00 0.00 53.44 50.34 1gh1 n ALA 38 Cb 0.37 -3.52 0.06 0.00 0.00 0.00 0.00 19.45 16.36 1gh1 n ALA 38 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1gh1 n ARG 39 N 8.11 0.28 -4.07 0.00 0.63 -1.26 -4.68 116.66 115.66 1gh1 n ARG 39 Ca 0.46 0.02 -0.23 0.00 -0.92 0.00 0.00 57.85 57.18 1gh1 n ARG 39 Cb 0.46 -1.61 -0.04 0.00 0.45 0.00 0.00 32.46 31.71 1gh1 n ARG 39 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1gh1 s SER 40 N -3.97 5.71 0.30 6.15 1.04 -1.26 -5.01 113.70 116.66 1gh1 s SER 40 Ca 0.05 -0.15 -0.02 0.00 0.48 0.00 0.00 55.95 56.31 1gh1 s SER 40 Cb 0.14 -1.52 0.45 0.00 0.10 0.00 0.00 66.02 65.19 1gh1 s SER 40 CO 0.78 -0.02 1.94 -0.61 0.98 0.00 0.00 173.24 176.31 1gh1 h GLN 41 N 1.66 1.01 -0.08 4.02 4.15 -1.94 -2.43 115.11 121.50 1gh1 h GLN 41 Ca -0.49 -0.09 0.04 0.00 0.77 0.00 0.00 58.65 58.88 1gh1 h GLN 41 Cb 1.23 -0.21 -0.05 0.00 0.21 0.00 0.00 27.48 28.65 1gh1 h GLN 41 CO 0.62 0.71 -0.27 0.77 -1.93 0.00 0.00 178.83 178.73 1gh1 h SER 42 N 1.02 -0.83 0.11 -0.69 0.02 -1.98 0.41 113.55 111.61 1gh1 h SER 42 Ca 0.27 0.12 -0.04 0.00 -0.84 0.00 0.00 61.79 61.29 1gh1 h SER 42 Cb -0.02 0.35 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 1gh1 h SER 42 CO -0.05 -0.33 -0.16 -0.78 -1.14 0.00 0.00 176.83 174.38 1gh1 h ASP 43 N -0.37 0.10 0.15 3.07 1.82 -1.85 0.22 116.42 119.56 1gh1 h ASP 43 Ca 0.09 -0.02 -0.23 0.00 -0.39 0.00 0.00 57.03 56.48 1gh1 h ASP 43 Cb 0.50 -0.03 0.01 0.00 0.68 0.00 0.00 39.33 40.49 1gh1 h ASP 43 CO -0.29 0.27 -0.91 0.03 -1.61 0.00 0.00 179.24 176.73 1gh1 h ARG 44 N 0.10 0.56 0.05 0.28 3.08 -0.76 -2.62 114.38 115.07 1gh1 h ARG 44 Ca 0.02 -0.55 -0.25 0.00 0.07 0.00 0.00 59.98 59.28 1gh1 h ARG 44 Cb 0.35 0.14 0.01 0.00 0.08 0.00 0.00 29.97 30.54 1gh1 h ARG 44 CO 0.02 1.17 -1.05 0.37 -1.07 0.00 0.00 179.97 179.41 1gh1 h GLN 45 N 0.34 0.39 0.42 0.04 4.15 0.10 -2.89 115.11 117.66 1gh1 h GLN 45 Ca -0.08 -0.48 -0.02 0.00 0.77 0.00 0.00 58.65 58.83 1gh1 h GLN 45 Cb 1.54 0.15 0.00 0.00 0.21 0.00 0.00 27.48 29.38 1gh1 h GLN 45 CO 0.17 1.16 -0.20 0.77 -1.93 0.00 0.00 178.83 178.80 1gh1 h SER 46 N 0.19 -0.48 -0.65 -0.69 0.02 -0.99 -2.79 113.55 108.16 1gh1 h SER 46 Ca -0.10 -0.10 0.07 0.00 -0.84 0.00 0.00 61.79 60.82 1gh1 h SER 46 Cb 1.71 0.12 -0.04 0.00 0.14 0.00 0.00 62.40 64.34 1gh1 h SER 46 CO 0.18 -0.16 0.43 0.00 -1.14 0.00 0.00 176.83 176.14 1gh1 h ALA 47 N -0.37 1.80 -0.51 3.77 0.00 -1.59 -1.12 119.26 121.25 1gh1 h ALA 47 Ca -0.06 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.87 1gh1 h ALA 47 Cb 0.55 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 1gh1 h ALA 47 CO 0.09 0.09 0.27 0.00 0.00 0.00 0.00 179.25 179.71 1gh1 h ASN 49 N 0.53 0.34 -0.45 0.00 2.35 -0.94 -1.44 115.58 115.98 1gh1 h ASN 49 Ca 0.22 0.08 0.09 0.00 -0.55 0.00 0.00 56.30 56.14 1gh1 h ASN 49 Cb 0.10 0.03 -0.09 0.00 0.05 0.00 0.00 38.32 38.41 1gh1 h ASN 49 CO -0.14 0.19 -0.12 0.00 -1.65 0.00 0.00 177.43 175.70 1gh1 h LEU 51 N -0.01 0.32 0.34 0.00 4.07 -1.26 -2.52 115.31 116.24 1gh1 h LEU 51 Ca 0.22 -0.35 -0.01 0.00 0.08 0.00 0.00 57.88 57.82 1gh1 h LEU 51 Cb 0.35 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 41.99 1gh1 h LEU 51 CO -0.48 0.59 -0.23 0.11 -1.08 0.00 0.00 178.44 177.35 1gh1 h LYS 52 N 0.04 -0.54 -0.96 1.13 1.57 -0.76 -1.38 116.57 115.68 1gh1 h LYS 52 Ca 0.05 0.04 0.20 0.00 -1.87 0.00 0.00 60.65 59.06 1gh1 h LYS 52 Cb 0.44 0.12 -0.11 0.00 0.08 0.00 0.00 32.23 32.76 1gh1 h LYS 52 CO 0.01 -0.36 0.54 0.78 -0.57 0.00 0.00 179.45 179.86 1gh1 h GLY 53 N -0.56 1.71 0.40 3.86 0.00 -0.25 -1.20 103.07 107.04 1gh1 h GLY 53 Ca -0.03 -0.30 -0.02 0.00 0.00 0.00 0.00 47.33 46.98 1gh1 h GLY 53 CO 0.02 -0.14 -0.19 -2.22 0.00 0.00 0.00 176.54 174.00 1gh1 h ILE 54 N 0.63 0.00 -0.92 2.60 2.04 -1.05 -3.27 117.51 117.54 1gh1 h ILE 54 Ca 0.57 -0.33 0.26 0.00 1.00 0.00 0.00 64.86 66.36 1gh1 h ILE 54 Cb 0.97 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.91 1gh1 h ILE 54 CO -0.43 0.00 0.35 0.00 0.00 0.00 0.00 178.15 178.08 1gh1 h ALA 55 N -1.42 1.50 -0.80 1.87 0.00 -0.99 0.24 119.26 119.66 1gh1 h ALA 55 Ca -0.06 0.21 0.23 0.00 0.00 0.00 0.00 54.91 55.29 1gh1 h ALA 55 Cb 0.41 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1gh1 h ALA 55 CO 0.09 -0.48 0.61 -0.09 0.00 0.00 0.00 179.25 179.38 1gh1 h ARG 56 N 0.27 0.00 0.00 0.00 2.43 -1.27 -0.05 114.38 115.76 1gh1 h ARG 56 Ca 0.61 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.78 1gh1 h ARG 56 Cb 1.27 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.82 1gh1 h ARG 56 CO -0.63 0.00 -1.61 0.41 -1.51 0.00 0.00 179.97 176.63 1gh1 n GLY 57 N -1.67 -1.15 3.85 2.80 0.00 0.83 -4.93 105.19 104.91 1gh1 n GLY 57 Ca 0.16 -0.43 -0.32 0.00 0.00 0.00 0.00 46.02 45.43 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 -3.43 4.61 -0.08 -0.61 1.01 -0.03 -5.01 121.20 117.66 1gh1 s ILE 58 Ca -0.04 1.04 -0.03 0.00 0.00 0.00 0.00 60.65 61.61 1gh1 s ILE 58 Cb 0.13 -3.73 -0.04 0.00 0.01 0.00 0.00 42.46 38.83 1gh1 s ILE 58 CO 0.87 -0.68 -0.10 1.57 0.00 0.00 0.00 174.94 176.60 1gh1 n HIS 59 N -1.59 0.00 -3.10 3.97 -0.00 -1.26 -4.82 115.22 108.42 1gh1 n HIS 59 Ca 0.05 0.00 -0.44 0.00 -0.00 0.00 0.00 57.72 57.33 1gh1 n HIS 59 Cb 0.54 -0.30 -0.00 0.00 -0.00 0.00 0.00 29.99 30.23 1gh1 n HIS 59 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 1gh1 s ASN 60 N -5.53 7.18 0.22 0.26 2.47 -1.26 -5.00 114.94 113.27 1gh1 s ASN 60 Ca -0.11 -3.24 0.00 0.00 0.42 0.00 0.00 52.86 49.93 1gh1 s ASN 60 Cb 0.04 -2.33 -0.04 0.00 -1.45 0.00 0.00 41.25 37.47 1gh1 s ASN 60 CO 0.15 -0.57 0.40 -0.22 -3.72 0.00 0.00 177.10 173.15 1gh1 s LEU 61 N 0.47 4.22 -0.38 3.21 0.20 -1.26 -4.80 118.68 120.33 1gh1 s LEU 61 Ca 0.38 0.36 0.03 0.00 0.69 0.00 0.00 54.13 55.59 1gh1 s LEU 61 Cb -0.06 -3.14 0.11 0.00 -0.43 0.00 0.00 46.19 42.67 1gh1 s LEU 61 CO -0.03 -0.07 0.13 0.21 -0.29 0.00 0.00 176.35 176.31 1gh1 s ASN 62 N -3.33 4.35 0.37 3.68 3.84 -0.90 -4.97 114.94 117.98 1gh1 s ASN 62 Ca 0.38 -2.28 0.05 0.00 0.21 0.00 0.00 52.86 51.21 1gh1 s ASN 62 Cb -0.11 -1.37 0.72 0.00 -0.55 0.00 0.00 41.25 39.94 1gh1 s ASN 62 CO 0.30 -0.34 2.01 -0.08 -2.79 0.00 0.00 177.10 176.19 1gh1 h GLU 63 N 7.36 0.73 -0.46 0.43 4.81 -1.88 -1.27 114.58 124.31 1gh1 h GLU 63 Ca -0.07 -0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.17 1gh1 h GLU 63 Cb 0.98 -0.17 -0.05 0.00 0.63 0.00 0.00 28.75 30.15 1gh1 h GLU 63 CO 0.54 0.48 0.19 0.22 -0.73 0.00 0.00 179.01 179.71 1gh1 h ASP 64 N 0.75 0.24 -0.03 1.04 3.58 -1.94 -0.83 116.42 119.23 1gh1 h ASP 64 Ca 0.24 0.04 -0.08 0.00 0.42 0.00 0.00 57.03 57.65 1gh1 h ASP 64 Cb 0.02 0.01 0.01 0.00 1.72 0.00 0.00 39.33 41.08 1gh1 h ASP 64 CO -0.06 0.17 -0.30 0.78 -2.88 0.00 0.00 179.24 176.95 1gh1 h ASN 65 N 0.38 0.32 -0.75 2.28 2.35 -1.74 -1.90 115.58 116.52 1gh1 h ASN 65 Ca 0.21 -0.71 0.17 0.00 -0.55 0.00 0.00 56.30 55.42 1gh1 h ASN 65 Cb 0.17 -0.10 -0.12 0.00 0.05 0.00 0.00 38.32 38.33 1gh1 h ASN 65 CO -0.19 0.98 0.16 0.00 -1.65 0.00 0.00 177.43 176.74 1gh1 h ALA 66 N 0.34 0.96 0.00 -0.83 0.00 -1.04 0.38 119.26 119.07 1gh1 h ALA 66 Ca -0.03 0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 1gh1 h ALA 66 Cb 1.00 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1gh1 h ALA 66 CO 0.06 -0.36 -0.42 -0.09 0.00 0.00 0.00 179.25 178.44 1gh1 h ARG 67 N 0.24 0.00 -0.00 0.00 2.43 -1.19 -3.15 114.38 112.71 1gh1 h ARG 67 Ca 0.43 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.60 1gh1 h ARG 67 Cb 0.75 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.30 1gh1 h ARG 67 CO -0.54 0.42 -0.02 0.43 -1.51 0.00 0.00 179.97 178.75 1gh1 n SER 68 N -3.40 0.09 0.27 -3.80 7.64 0.13 -4.01 113.62 110.54 1gh1 n SER 68 Ca 0.01 -0.46 -0.12 0.00 1.01 0.00 0.00 58.87 59.31 1gh1 n SER 68 Cb 0.60 -0.17 -0.05 0.00 -1.01 0.00 0.00 64.21 63.57 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 0.11 0.00 -0.52 0.44 2.04 -1.32 -3.26 117.51 115.00 1gh1 h ILE 69 Ca 0.00 -0.45 0.06 0.00 1.00 0.00 0.00 64.86 65.48 1gh1 h ILE 69 Cb 0.22 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.24 1gh1 h ILE 69 CO 0.00 0.00 0.22 1.55 0.00 0.00 0.00 178.15 179.92 1gh1 h PRO 70 N -1.20 0.41 0.56 2.37 0.13 -1.79 -2.55 132.00 129.94 1gh1 h PRO 70 Ca -0.08 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 65.00 1gh1 h PRO 70 Cb 0.58 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.62 1gh1 h PRO 70 CO 0.13 0.27 -0.28 -1.00 -0.23 0.00 0.00 178.00 176.88 1gh1 h PRO 71 N 0.42 -0.75 -0.54 1.56 0.13 -1.75 0.10 132.00 131.18 1gh1 h PRO 71 Ca 0.25 0.05 0.04 0.00 -0.87 0.00 0.00 66.00 65.47 1gh1 h PRO 71 Cb 0.23 0.17 -0.03 0.00 0.13 0.00 0.00 31.00 31.50 1gh1 h PRO 71 CO -0.22 -0.50 0.36 1.57 -0.23 0.00 0.00 178.00 178.98 1gh1 h LYS 72 N -0.78 0.57 0.28 0.86 2.10 -1.59 -3.04 116.57 114.97 1gh1 h LYS 72 Ca -0.07 -0.03 -0.01 0.00 -2.00 0.00 0.00 60.65 58.53 1gh1 h LYS 72 Cb 0.60 -0.13 0.00 0.00 -0.90 0.00 0.00 32.23 31.81 1gh1 h LYS 72 CO 0.11 0.38 -0.14 0.00 -2.00 0.00 0.00 179.45 177.80 1gh1 n GLY 74 N 0.55 1.60 0.05 0.00 0.00 0.33 -5.01 105.19 102.71 1gh1 n GLY 74 Ca -0.07 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.92 0.64 -2.60 1.61 0.24 -1.21 -5.07 118.33 111.02 1gh1 n VAL 75 Ca 0.00 -0.40 -0.03 0.00 -2.04 0.00 0.00 64.34 61.87 1gh1 n VAL 75 Cb 0.00 -0.73 -0.03 0.00 -1.47 0.00 0.00 33.84 31.62 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 -2.34 -3.42 -4.92 -1.34 5.15 -1.24 -5.01 115.26 102.13 1gh1 n ASN 76 Ca -0.15 1.34 -0.26 0.00 -0.60 0.00 0.00 54.58 54.91 1gh1 n ASN 76 Cb 0.80 -5.15 -0.01 0.00 -0.53 0.00 0.00 39.78 34.89 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 -1.03 3.82 0.00 1.20 1.02 -1.26 -4.96 118.68 117.46 1gh1 s LEU 77 Ca -0.17 0.68 0.15 0.00 0.02 0.00 0.00 54.13 54.82 1gh1 s LEU 77 Cb 0.01 -3.59 0.56 0.00 0.02 0.00 0.00 46.19 43.19 1gh1 s LEU 77 CO 0.77 -0.44 1.41 -0.81 0.02 0.00 0.00 176.35 177.29 1gh1 n PRO 78 N -2.03 1.64 -3.53 1.29 -0.04 -1.26 -4.91 135.00 126.18 1gh1 n PRO 78 Ca -0.02 -0.98 -0.08 0.00 -0.04 0.00 0.00 63.50 62.38 1gh1 n PRO 78 Cb 0.56 -1.31 -0.02 0.00 -0.04 0.00 0.00 33.50 32.69 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 -1.72 -0.30 0.16 0.54 -0.85 -1.26 -4.92 117.35 109.00 1gh1 s TYR 79 Ca 0.26 0.18 0.03 0.00 -0.52 0.00 0.00 57.07 57.02 1gh1 s TYR 79 Cb 0.14 0.54 -0.01 0.00 0.38 0.00 0.00 41.96 43.00 1gh1 s TYR 79 CO 0.20 -0.49 0.15 -2.37 -1.52 0.00 0.00 175.55 171.52 1gh1 n THR 80 N -0.22 0.00 -1.75 -3.49 5.66 -1.26 -5.03 114.28 108.19 1gh1 n THR 80 Ca -0.07 -1.11 -0.41 0.00 -3.05 0.00 0.00 64.05 59.41 1gh1 n THR 80 Cb 0.61 0.57 -0.03 0.00 -1.55 0.00 0.00 70.33 69.94 1gh1 n THR 80 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64 1gh1 n ILE 81 N -0.30 2.85 -3.13 1.09 -0.00 -1.26 -4.75 119.36 113.86 1gh1 n ILE 81 Ca 0.03 -2.65 0.00 0.00 -0.00 0.00 0.00 62.75 60.13 1gh1 n ILE 81 Cb 0.29 -2.42 0.00 0.00 -0.00 0.00 0.00 39.64 37.51 1gh1 n ILE 81 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.55 176.31 1gh1 n SER 82 N 7.98 0.00 -2.44 4.38 2.88 -1.26 -4.84 113.62 120.31 1gh1 n SER 82 Ca 0.50 -0.89 -0.16 0.00 -1.33 0.00 0.00 58.87 56.99 1gh1 n SER 82 Cb 0.42 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.90 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 3.44 -0.11 2.46 4.32 -1.26 -4.74 117.00 121.12 1gh1 n LEU 83 Ca 0.00 -4.23 -0.17 0.00 -0.02 0.00 0.00 56.01 51.60 1gh1 n LEU 83 Cb 0.00 -0.03 -0.06 0.00 -1.62 0.00 0.00 43.42 41.71 1gh1 n LEU 83 CO 0.00 1.76 -0.86 -3.20 -1.22 0.00 0.00 177.39 173.87 1gh1 n ASN 84 N -0.53 1.91 -4.82 -1.43 2.85 -1.26 -4.95 115.26 107.04 1gh1 n ASN 84 Ca 0.28 0.39 -0.33 0.00 -0.11 0.00 0.00 54.58 54.81 1gh1 n ASN 84 Cb 0.84 -0.82 -0.05 0.00 1.24 0.00 0.00 39.78 40.99 1gh1 n ASN 84 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 1gh1 s ILE 85 N -2.60 4.17 -0.32 -1.44 -5.25 -1.26 -4.97 121.20 109.54 1gh1 s ILE 85 Ca -0.30 1.27 0.08 0.00 -0.99 0.00 0.00 60.65 60.72 1gh1 s ILE 85 Cb 0.08 -3.55 0.55 0.00 2.95 0.00 0.00 42.46 42.49 1gh1 s ILE 85 CO 0.44 -0.37 1.57 -0.67 -1.79 0.00 0.00 174.94 174.12 1gh1 n ASP 86 N -1.02 2.95 -0.12 4.36 -0.08 -1.26 -4.93 116.55 116.45 1gh1 n ASP 86 Ca 0.08 -3.66 -0.01 0.00 -1.51 0.00 0.00 54.79 49.69 1gh1 n ASP 86 Cb 0.53 -0.68 -0.00 0.00 2.34 0.00 0.00 41.12 43.31 1gh1 n ASP 86 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1gh1 n SER 88 N 1.43 1.98 -2.73 0.00 3.41 -1.26 -4.68 113.62 111.77 1gh1 n SER 88 Ca -0.01 -3.89 -0.02 0.00 -0.26 0.00 0.00 58.87 54.69 1gh1 n SER 88 Cb 0.19 -0.52 0.10 0.00 -0.26 0.00 0.00 64.21 63.71 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 -1.09 1.48 0.00 4.33 3.00 -1.26 -5.24 116.66 117.88 1gh1 n ARG 89 Ca 0.22 -2.04 0.00 0.00 -0.00 0.00 0.00 57.85 56.02 1gh1 n ARG 89 Cb 0.73 -0.30 0.00 0.00 0.00 0.00 0.00 32.46 32.89 1gh1 n ARG 89 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96