#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 5.06 -1.18 4.38 1.11 -1.26 -4.72 116.67 120.06 1gh1 s ASP 2 Ca 0.00 2.58 -0.16 0.00 0.18 0.00 0.00 52.55 55.15 1gh1 s ASP 2 Cb 0.00 -2.62 -0.05 0.00 1.07 0.00 0.00 42.92 41.32 1gh1 s ASP 2 CO 0.00 -1.70 2.18 0.00 1.18 0.00 0.00 175.17 176.83 1gh1 n GLY 4 N 4.18 -0.43 0.09 0.00 0.00 -1.26 -4.42 105.19 103.35 1gh1 n GLY 4 Ca 0.53 -0.15 -0.11 0.00 0.00 0.00 0.00 46.02 46.29 1gh1 n GLY 4 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1gh1 n HIS 5 N -2.50 0.00 -0.22 1.61 -0.00 -1.26 -4.50 115.22 108.35 1gh1 n HIS 5 Ca -0.18 0.00 -0.06 0.00 -0.00 0.00 0.00 57.72 57.47 1gh1 n HIS 5 Cb 0.81 -0.77 0.08 0.00 -0.00 0.00 0.00 29.99 30.11 1gh1 n HIS 5 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 1gh1 h VAL 6 N 0.00 1.26 -0.38 3.57 2.07 -1.84 -2.76 116.25 118.17 1gh1 h VAL 6 Ca -0.44 -0.97 0.07 0.00 0.82 0.00 0.00 66.70 66.18 1gh1 h VAL 6 Cb 1.83 0.60 -0.06 0.00 -1.52 0.00 0.00 31.29 32.14 1gh1 h VAL 6 CO -0.02 0.37 -0.03 -0.78 0.02 0.00 0.00 177.57 177.13 1gh1 h ASP 7 N 1.00 -0.21 0.72 0.57 3.58 -1.79 0.54 116.42 120.82 1gh1 h ASP 7 Ca 0.21 0.10 -0.03 0.00 0.42 0.00 0.00 57.03 57.72 1gh1 h ASP 7 Cb 0.39 0.18 -0.00 0.00 1.72 0.00 0.00 39.33 41.61 1gh1 h ASP 7 CO 0.01 -0.07 -0.16 -1.28 -2.88 0.00 0.00 179.24 174.86 1gh1 h SER 8 N 0.07 0.00 0.32 2.28 0.87 -1.77 -1.01 113.55 114.32 1gh1 h SER 8 Ca 0.19 0.00 -0.25 0.00 -1.23 0.00 0.00 61.79 60.49 1gh1 h SER 8 Cb 0.27 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.24 1gh1 h SER 8 CO -0.34 0.16 -1.07 -0.07 -0.53 0.00 0.00 176.83 174.98 1gh1 h LEU 9 N 0.00 0.62 -1.47 2.23 3.38 -0.69 -3.22 115.31 116.17 1gh1 h LEU 9 Ca -0.00 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 57.43 1gh1 h LEU 9 Cb 0.56 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1gh1 h LEU 9 CO 0.02 1.36 0.00 1.33 0.09 0.00 0.00 178.44 181.24 1gh1 n VAL 10 N -3.73 0.18 0.04 1.22 0.24 -0.13 -4.28 118.33 111.88 1gh1 n VAL 10 Ca -0.09 -0.43 -0.10 0.00 -2.04 0.00 0.00 64.34 61.68 1gh1 n VAL 10 Cb 0.91 0.73 0.02 0.00 -1.47 0.00 0.00 33.84 34.03 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 3.17 0.44 0.00 7.34 9.65 -1.19 -3.29 114.38 130.50 1gh1 h ARG 11 Ca 0.00 -0.36 -0.07 0.00 -1.10 0.00 0.00 59.98 58.46 1gh1 h ARG 11 Cb 0.69 0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 29.33 1gh1 h ARG 11 CO 0.00 0.99 -0.31 -1.00 2.80 0.00 0.00 179.97 182.45 1gh1 h PRO 12 N 0.30 0.00 -0.00 0.20 0.13 -1.74 -2.76 132.00 128.12 1gh1 h PRO 12 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1gh1 h PRO 12 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1gh1 h PRO 12 CO 0.13 0.31 -0.02 0.00 -0.23 0.00 0.00 178.00 178.19 1gh1 h LEU 14 N 0.67 0.29 -2.00 0.00 4.07 -1.62 -3.05 115.31 113.67 1gh1 h LEU 14 Ca 0.00 -0.18 0.16 0.00 0.08 0.00 0.00 57.88 57.94 1gh1 h LEU 14 Cb 0.21 -0.08 -0.02 0.00 1.08 0.00 0.00 40.66 41.84 1gh1 h LEU 14 CO 0.00 0.89 0.41 -1.28 -1.08 0.00 0.00 178.44 177.38 1gh1 h SER 15 N 0.17 0.00 0.05 -0.43 0.87 -1.73 -1.72 113.55 110.76 1gh1 h SER 15 Ca -0.02 0.00 -0.24 0.00 -1.23 0.00 0.00 61.79 60.30 1gh1 h SER 15 Cb 1.23 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.17 1gh1 h SER 15 CO 0.11 0.00 -1.31 0.22 -0.53 0.00 0.00 176.83 175.32 1gh1 h TYR 16 N 0.00 0.19 -0.85 2.24 3.20 -1.72 -3.10 116.97 116.94 1gh1 h TYR 16 Ca 0.27 -0.14 0.18 0.00 3.14 0.00 0.00 58.73 62.17 1gh1 h TYR 16 Cb 1.09 -0.01 -0.06 0.00 1.54 0.00 0.00 36.73 39.29 1gh1 h TYR 16 CO 0.00 1.51 0.56 0.28 -1.64 0.00 0.00 178.16 178.87 1gh1 h VAL 17 N -0.65 0.74 0.00 1.81 2.07 -1.34 0.12 116.25 119.00 1gh1 h VAL 17 Ca -0.32 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.05 1gh1 h VAL 17 Cb 1.51 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 1gh1 h VAL 17 CO -0.07 0.08 0.00 0.06 0.02 0.00 0.00 177.57 177.66 1gh1 h GLN 18 N 0.44 0.00 0.00 1.57 3.07 -1.48 -3.02 115.11 115.69 1gh1 h GLN 18 Ca 0.43 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.17 1gh1 h GLN 18 Cb 1.01 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.57 1gh1 h GLN 18 CO -0.16 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.17 1gh1 n GLY 19 N -0.26 0.84 0.94 0.06 0.00 0.40 -4.84 105.19 102.33 1gh1 n GLY 19 Ca -0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.95 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 3.78 3.77 -0.02 0.00 -1.17 -5.06 105.19 106.49 1gh1 n GLY 20 Ca 0.00 -1.84 -0.38 0.00 0.00 0.00 0.00 46.02 43.80 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 -2.42 4.03 0.00 1.61 0.04 -1.26 -4.47 135.00 132.53 1gh1 s PRO 21 Ca 0.09 1.86 0.00 0.00 0.04 0.00 0.00 61.00 62.99 1gh1 s PRO 21 Cb 0.00 -2.67 0.00 0.00 0.04 0.00 0.00 34.50 31.88 1gh1 s PRO 21 CO 0.06 -0.34 0.00 0.41 0.04 0.00 0.00 177.00 177.17 1gh1 n GLY 22 N 0.63 0.19 0.00 0.56 0.00 -1.26 -4.28 105.19 101.02 1gh1 n GLY 22 Ca 0.04 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.68 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 -3.62 1.61 -0.04 -1.26 -4.91 135.00 126.78 1gh1 n PRO 23 Ca 0.00 0.37 -0.01 0.00 -0.04 0.00 0.00 63.50 63.83 1gh1 n PRO 23 Cb 0.00 -1.35 -0.01 0.00 -0.04 0.00 0.00 33.50 32.09 1gh1 n PRO 23 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1gh1 s SER 24 N -2.02 -0.01 0.00 3.54 1.04 -1.26 -4.73 113.70 110.26 1gh1 s SER 24 Ca 0.00 -0.00 0.14 0.00 0.48 0.00 0.00 55.95 56.57 1gh1 s SER 24 Cb 0.00 0.01 0.56 0.00 0.10 0.00 0.00 66.02 66.69 1gh1 s SER 24 CO 0.00 -0.01 1.40 0.61 0.98 0.00 0.00 173.24 176.22 1gh1 n GLY 25 N -0.14 -0.10 0.05 7.32 0.00 -1.26 -3.41 105.19 107.65 1gh1 n GLY 25 Ca 0.01 -0.27 -0.03 0.00 0.00 0.00 0.00 46.02 45.74 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 0.01 1.55 -0.04 1.61 6.02 -1.26 -4.58 117.38 120.69 1gh1 n GLN 26 Ca 0.12 -0.04 -0.09 0.00 -0.01 0.00 0.00 57.00 56.98 1gh1 n GLN 26 Cb 0.21 -1.32 -0.03 0.00 1.02 0.00 0.00 30.24 30.12 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 -3.38 1.88 -0.18 0.00 2.03 -0.75 -2.85 116.55 113.31 1gh1 n ASP 29 Ca -0.03 0.40 -0.08 0.00 0.52 0.00 0.00 54.79 55.61 1gh1 n ASP 29 Cb 0.10 -0.95 0.07 0.00 -0.72 0.00 0.00 41.12 39.61 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 -0.86 1.06 1.16 0.27 0.00 -0.19 -1.91 103.07 102.61 1gh1 h GLY 30 Ca -0.37 -0.77 -0.33 0.00 0.00 0.00 0.00 47.33 45.85 1gh1 h GLY 30 CO -0.20 0.71 -1.58 -2.08 0.00 0.00 0.00 176.54 173.40 1gh1 h VAL 31 N 0.90 1.15 -0.65 4.60 2.07 -0.28 -2.83 116.25 121.21 1gh1 h VAL 31 Ca 0.16 -2.68 -0.02 0.00 0.82 0.00 0.00 66.70 64.98 1gh1 h VAL 31 Cb 0.55 2.88 -0.03 0.00 -1.52 0.00 0.00 31.29 33.17 1gh1 h VAL 31 CO 0.03 0.84 0.31 0.50 0.02 0.00 0.00 177.57 179.27 1gh1 h LYS 32 N 0.11 0.93 0.26 1.57 3.64 -1.53 0.23 116.57 121.78 1gh1 h LYS 32 Ca -0.28 -0.14 -0.00 0.00 -1.27 0.00 0.00 60.65 58.97 1gh1 h LYS 32 Cb 2.10 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 33.74 1gh1 h LYS 32 CO 0.21 0.74 -0.23 -0.91 -2.27 0.00 0.00 179.45 176.99 1gh1 h ASN 33 N 0.89 -0.61 0.23 4.20 2.35 -1.42 0.27 115.58 121.49 1gh1 h ASN 33 Ca 0.22 0.05 0.01 0.00 -0.55 0.00 0.00 56.30 56.03 1gh1 h ASN 33 Cb 0.12 0.21 -0.04 0.00 0.05 0.00 0.00 38.32 38.65 1gh1 h ASN 33 CO -0.03 -0.35 -0.39 0.25 -1.65 0.00 0.00 177.43 175.26 1gh1 h LEU 34 N -0.52 -1.11 -0.46 1.61 7.12 -1.22 0.28 115.31 121.02 1gh1 h LEU 34 Ca -0.01 0.11 0.09 0.00 0.13 0.00 0.00 57.88 58.20 1gh1 h LEU 34 Cb 0.47 0.40 -0.09 0.00 -0.53 0.00 0.00 40.66 40.91 1gh1 h LEU 34 CO -0.03 -0.50 -0.12 -0.74 -0.13 0.00 0.00 178.44 176.93 1gh1 h HIS 35 N -0.69 -0.25 -0.61 1.25 2.76 -0.78 0.25 115.15 117.08 1gh1 h HIS 35 Ca 0.00 0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 58.20 1gh1 h HIS 35 Cb 0.68 0.18 -0.03 0.00 1.55 0.00 0.00 27.41 29.79 1gh1 h HIS 35 CO -0.29 -0.20 0.33 -0.97 -1.30 0.00 0.00 177.93 175.50 1gh1 h ASN 36 N -0.00 0.75 0.26 3.26 -0.73 0.07 -2.22 115.58 116.98 1gh1 h ASN 36 Ca 0.22 -0.06 -0.17 0.00 1.87 0.00 0.00 56.30 58.17 1gh1 h ASN 36 Cb 0.34 -0.19 -0.01 0.00 0.27 0.00 0.00 38.32 38.73 1gh1 h ASN 36 CO -0.47 0.61 -0.66 1.56 -0.37 0.00 0.00 177.43 178.09 1gh1 h GLN 37 N 0.85 0.37 -5.35 6.67 4.20 0.14 -3.39 115.11 118.60 1gh1 h GLN 37 Ca 0.22 -0.28 -0.38 0.00 0.06 0.00 0.00 58.65 58.27 1gh1 h GLN 37 Cb 0.03 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.83 1gh1 h GLN 37 CO -0.04 0.90 1.26 0.00 -0.67 0.00 0.00 178.83 180.28 1gh1 n ALA 38 N -2.50 2.04 0.78 3.87 0.00 0.70 -4.62 120.51 120.79 1gh1 n ALA 38 Ca -0.03 -3.08 0.11 0.00 0.00 0.00 0.00 53.44 50.44 1gh1 n ALA 38 Cb 0.66 -3.50 0.08 0.00 0.00 0.00 0.00 19.45 16.69 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 8.12 0.15 -3.36 0.00 3.00 -1.26 -4.81 116.66 118.50 1gh1 n ARG 39 Ca 0.46 0.00 -0.20 0.00 -0.00 0.00 0.00 57.85 58.10 1gh1 n ARG 39 Cb 0.46 -1.55 -0.01 0.00 0.00 0.00 0.00 32.46 31.36 1gh1 n ARG 39 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1gh1 n SER 40 N -1.74 2.42 0.05 6.15 7.64 -1.26 -5.04 113.62 121.83 1gh1 n SER 40 Ca 0.03 -2.47 -0.20 0.00 1.01 0.00 0.00 58.87 57.24 1gh1 n SER 40 Cb 0.39 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.47 1gh1 n SER 40 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 1gh1 h GLN 41 N 0.00 0.59 -0.20 1.43 4.15 -1.92 -3.22 115.11 115.93 1gh1 h GLN 41 Ca -0.27 -0.70 0.05 0.00 0.77 0.00 0.00 58.65 58.50 1gh1 h GLN 41 Cb 0.97 0.22 -0.07 0.00 0.21 0.00 0.00 27.48 28.80 1gh1 h GLN 41 CO 0.43 1.29 -0.34 0.77 -1.93 0.00 0.00 178.83 179.05 1gh1 h SER 42 N 0.19 -1.09 0.35 -0.69 0.02 -1.96 0.42 113.55 110.79 1gh1 h SER 42 Ca -0.14 0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 1gh1 h SER 42 Cb 1.69 0.47 -0.00 0.00 0.14 0.00 0.00 62.40 64.70 1gh1 h SER 42 CO 0.19 -0.36 -0.03 -0.78 -1.14 0.00 0.00 176.83 174.71 1gh1 h ASP 43 N -0.38 0.00 0.52 3.07 1.82 -1.94 0.10 116.42 119.62 1gh1 h ASP 43 Ca 0.11 0.00 -0.29 0.00 -0.39 0.00 0.00 57.03 56.46 1gh1 h ASP 43 Cb 0.56 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.55 1gh1 h ASP 43 CO -0.41 0.03 -1.53 0.03 -1.61 0.00 0.00 179.24 175.75 1gh1 h ARG 44 N 0.00 0.14 -0.04 0.28 3.08 -0.94 -2.86 114.38 114.05 1gh1 h ARG 44 Ca -0.00 -0.24 -0.04 0.00 0.07 0.00 0.00 59.98 59.77 1gh1 h ARG 44 Cb 0.21 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.36 1gh1 h ARG 44 CO 0.00 0.93 -0.13 0.37 -1.07 0.00 0.00 179.97 180.08 1gh1 h GLN 45 N 0.04 0.15 0.89 0.04 4.15 0.40 -2.82 115.11 117.96 1gh1 h GLN 45 Ca -0.23 -0.11 -0.04 0.00 0.77 0.00 0.00 58.65 59.03 1gh1 h GLN 45 Cb 1.98 0.02 0.01 0.00 0.21 0.00 0.00 27.48 29.69 1gh1 h GLN 45 CO 0.13 0.75 -0.45 0.77 -1.93 0.00 0.00 178.83 178.10 1gh1 h SER 46 N -0.41 -1.07 -0.76 -0.69 0.02 -0.95 -2.57 113.55 107.11 1gh1 h SER 46 Ca -0.01 0.04 0.15 0.00 -0.84 0.00 0.00 61.79 61.14 1gh1 h SER 46 Cb 0.76 0.28 -0.05 0.00 0.14 0.00 0.00 62.40 63.53 1gh1 h SER 46 CO 0.03 -0.74 0.51 0.00 -1.14 0.00 0.00 176.83 175.48 1gh1 h ALA 47 N -1.12 2.11 -0.36 3.77 0.00 -1.63 -0.07 119.26 121.96 1gh1 h ALA 47 Ca -0.12 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1gh1 h ALA 47 Cb 0.94 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1gh1 h ALA 47 CO 0.19 -0.32 0.19 0.00 0.00 0.00 0.00 179.25 179.31 1gh1 h ASN 49 N 0.45 0.70 0.05 0.00 2.35 -0.62 0.21 115.58 118.74 1gh1 h ASN 49 Ca 0.13 0.04 0.03 0.00 -0.55 0.00 0.00 56.30 55.94 1gh1 h ASN 49 Cb 0.09 -0.10 -0.04 0.00 0.05 0.00 0.00 38.32 38.32 1gh1 h ASN 49 CO -0.02 0.36 -0.25 0.00 -1.65 0.00 0.00 177.43 175.87 1gh1 h LEU 51 N -0.42 0.33 -0.06 0.00 3.38 -1.25 -2.42 115.31 114.86 1gh1 h LEU 51 Ca 0.05 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 1gh1 h LEU 51 Cb 0.48 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 1gh1 h LEU 51 CO -0.19 0.93 -0.02 0.11 0.09 0.00 0.00 178.44 179.36 1gh1 h LYS 52 N 0.19 0.11 -0.58 1.13 1.57 -0.18 -1.34 116.57 117.46 1gh1 h LYS 52 Ca -0.02 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 1gh1 h LYS 52 Cb 1.26 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.54 1gh1 h LYS 52 CO 0.11 0.46 0.25 0.78 -0.57 0.00 0.00 179.45 180.48 1gh1 h GLY 53 N -0.24 0.93 0.37 3.86 0.00 -0.40 -2.78 103.07 104.81 1gh1 h GLY 53 Ca 0.01 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 46.84 1gh1 h GLY 53 CO 0.01 0.46 -0.35 -2.22 0.00 0.00 0.00 176.54 174.44 1gh1 h ILE 54 N 0.80 0.00 -1.04 2.60 2.04 -1.37 -2.36 117.51 118.18 1gh1 h ILE 54 Ca 0.20 0.00 0.41 0.00 1.00 0.00 0.00 64.86 66.47 1gh1 h ILE 54 Cb 0.18 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 36.09 1gh1 h ILE 54 CO -0.02 0.00 0.58 0.00 0.00 0.00 0.00 178.15 178.72 1gh1 h ALA 55 N -1.20 2.22 -0.45 1.87 0.00 -1.16 0.57 119.26 121.09 1gh1 h ALA 55 Ca -0.05 0.24 0.08 0.00 0.00 0.00 0.00 54.91 55.18 1gh1 h ALA 55 Cb 0.61 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1gh1 h ALA 55 CO -0.03 -0.97 0.31 -0.09 0.00 0.00 0.00 179.25 178.47 1gh1 h ARG 56 N 0.05 0.27 -1.00 0.00 1.12 -1.13 -1.59 114.38 112.09 1gh1 h ARG 56 Ca 0.84 -0.02 -0.49 0.00 -1.11 0.00 0.00 59.98 59.20 1gh1 h ARG 56 Cb 2.23 -0.06 -0.29 0.00 -0.01 0.00 0.00 29.97 31.84 1gh1 h ARG 56 CO -0.71 0.18 0.62 0.41 -3.11 0.00 0.00 179.97 177.37 1gh1 n GLY 57 N -1.54 4.40 3.70 2.80 0.00 0.20 -4.94 105.19 109.81 1gh1 n GLY 57 Ca 0.07 -1.08 -0.30 0.00 0.00 0.00 0.00 46.02 44.71 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 -3.15 4.10 -0.19 -0.61 -1.09 -0.60 -5.04 121.20 114.62 1gh1 s ILE 58 Ca 0.53 -0.99 -0.15 0.00 -2.23 0.00 0.00 60.65 57.82 1gh1 s ILE 58 Cb 0.45 -2.97 -0.20 0.00 -1.58 0.00 0.00 42.46 38.15 1gh1 s ILE 58 CO 0.10 0.10 0.17 1.57 -1.23 0.00 0.00 174.94 175.64 1gh1 n HIS 59 N 0.47 0.92 -3.45 3.97 -0.00 -1.26 -4.71 115.22 111.16 1gh1 n HIS 59 Ca -0.10 0.32 -0.26 0.00 0.46 0.00 0.00 57.72 58.13 1gh1 n HIS 59 Cb 0.52 -1.10 -0.09 0.00 -0.12 0.00 0.00 29.99 29.20 1gh1 n HIS 59 CO 0.00 0.00 0.00 -1.71 0.46 0.00 0.00 176.34 175.09 1gh1 n ASN 60 N -4.08 1.15 -4.77 0.26 5.15 -1.26 -5.11 115.26 106.60 1gh1 n ASN 60 Ca -0.35 -2.82 -0.40 0.00 -0.60 0.00 0.00 54.58 50.40 1gh1 n ASN 60 Cb 0.83 -0.64 0.00 0.00 -0.53 0.00 0.00 39.78 39.44 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 -1.04 4.26 -0.20 1.20 0.20 -1.26 -4.86 118.68 116.98 1gh1 s LEU 61 Ca 0.33 2.89 -0.02 0.00 0.69 0.00 0.00 54.13 58.02 1gh1 s LEU 61 Cb 0.08 -3.79 0.00 0.00 -0.43 0.00 0.00 46.19 42.05 1gh1 s LEU 61 CO -0.14 -0.91 -0.10 0.21 -0.29 0.00 0.00 176.35 175.12 1gh1 s ASN 62 N -0.41 3.88 0.08 3.68 3.84 -1.14 -4.98 114.94 119.89 1gh1 s ASN 62 Ca 0.55 -0.47 -0.08 0.00 0.21 0.00 0.00 52.86 53.07 1gh1 s ASN 62 Cb -0.43 -1.64 -0.25 0.00 -0.55 0.00 0.00 41.25 38.38 1gh1 s ASN 62 CO 0.57 0.00 1.16 -0.33 -2.79 0.00 0.00 177.10 175.71 1gh1 h GLU 63 N 7.95 0.40 -0.74 0.43 4.39 -1.92 -2.99 114.58 122.10 1gh1 h GLU 63 Ca -0.42 -0.59 0.14 0.00 0.34 0.00 0.00 59.36 58.84 1gh1 h GLU 63 Cb 1.16 0.20 -0.09 0.00 -0.10 0.00 0.00 28.75 29.92 1gh1 h GLU 63 CO 0.61 1.25 0.28 0.22 -1.16 0.00 0.00 179.01 180.21 1gh1 h ASP 64 N 0.16 0.25 0.03 1.42 1.82 -1.94 0.17 116.42 118.33 1gh1 h ASP 64 Ca -0.15 0.11 -0.04 0.00 -0.39 0.00 0.00 57.03 56.56 1gh1 h ASP 64 Cb 1.89 0.10 0.01 0.00 0.68 0.00 0.00 39.33 42.01 1gh1 h ASP 64 CO 0.21 0.09 -0.19 0.78 -1.61 0.00 0.00 179.24 178.52 1gh1 h ASN 65 N 0.42 0.11 -0.84 2.28 2.35 -1.87 -2.28 115.58 115.76 1gh1 h ASN 65 Ca 0.41 -0.98 0.20 0.00 -0.55 0.00 0.00 56.30 55.37 1gh1 h ASN 65 Cb 0.62 -0.04 -0.12 0.00 0.05 0.00 0.00 38.32 38.83 1gh1 h ASN 65 CO -0.41 1.09 0.31 0.00 -1.65 0.00 0.00 177.43 176.77 1gh1 h ALA 66 N 0.03 1.25 0.00 -0.83 0.00 -1.30 0.52 119.26 118.93 1gh1 h ALA 66 Ca -0.03 0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 1gh1 h ALA 66 Cb 1.14 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 1gh1 h ALA 66 CO 0.04 -0.34 -0.34 -0.09 0.00 0.00 0.00 179.25 178.52 1gh1 h ARG 67 N 0.35 0.00 -0.02 0.00 2.43 -0.76 -3.16 114.38 113.22 1gh1 h ARG 67 Ca 0.51 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.68 1gh1 h ARG 67 Cb 0.93 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.48 1gh1 h ARG 67 CO -0.53 0.34 0.00 0.43 -1.51 0.00 0.00 179.97 178.70 1gh1 n SER 68 N -3.28 0.93 -0.04 -3.80 7.64 0.17 -4.14 113.62 111.10 1gh1 n SER 68 Ca 0.01 -1.34 -0.00 0.00 1.01 0.00 0.00 58.87 58.55 1gh1 n SER 68 Cb 0.59 -0.01 -0.00 0.00 -1.01 0.00 0.00 64.21 63.79 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 1.42 0.00 -0.79 0.44 2.04 -1.29 -3.33 117.51 116.01 1gh1 h ILE 69 Ca 0.00 -0.82 0.08 0.00 1.00 0.00 0.00 64.86 65.11 1gh1 h ILE 69 Cb 0.30 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.32 1gh1 h ILE 69 CO 0.00 0.00 0.46 1.55 0.00 0.00 0.00 178.15 180.16 1gh1 h PRO 70 N -0.83 0.77 0.66 2.37 0.13 -1.75 -1.90 132.00 131.45 1gh1 h PRO 70 Ca -0.00 -0.05 -0.03 0.00 -0.87 0.00 0.00 66.00 65.05 1gh1 h PRO 70 Cb 0.00 -0.17 0.01 0.00 0.13 0.00 0.00 31.00 30.97 1gh1 h PRO 70 CO 0.00 0.51 -0.33 -1.00 -0.23 0.00 0.00 178.00 176.96 1gh1 h PRO 71 N 0.80 -0.87 -0.91 1.56 0.13 -1.76 0.39 132.00 131.34 1gh1 h PRO 71 Ca 0.37 0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.56 1gh1 h PRO 71 Cb 0.28 0.20 -0.04 0.00 0.13 0.00 0.00 31.00 31.56 1gh1 h PRO 71 CO -0.22 -0.58 0.58 1.57 -0.23 0.00 0.00 178.00 179.12 1gh1 h LYS 72 N -0.90 1.21 0.18 0.86 2.10 -1.65 -2.92 116.57 115.45 1gh1 h LYS 72 Ca -0.09 -0.09 -0.01 0.00 -2.00 0.00 0.00 60.65 58.46 1gh1 h LYS 72 Cb 0.69 -0.26 0.00 0.00 -0.90 0.00 0.00 32.23 31.76 1gh1 h LYS 72 CO 0.14 0.82 -0.09 0.00 -2.00 0.00 0.00 179.45 178.33 1gh1 n GLY 74 N -0.93 1.04 0.10 0.00 0.00 0.10 -5.00 105.19 100.50 1gh1 n GLY 74 Ca -0.09 -0.10 -0.03 0.00 0.00 0.00 0.00 46.02 45.80 1gh1 n GLY 74 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1gh1 n VAL 75 N -0.44 0.22 -3.01 1.61 0.31 -1.05 -5.08 118.33 110.90 1gh1 n VAL 75 Ca 0.00 -0.08 -0.02 0.00 -0.01 0.00 0.00 64.34 64.23 1gh1 n VAL 75 Cb 0.08 -0.72 0.00 0.00 -0.91 0.00 0.00 33.84 32.28 1gh1 n VAL 75 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1gh1 n ASN 76 N -2.67 -7.85 -4.81 4.52 5.15 -1.19 -4.98 115.26 103.44 1gh1 n ASN 76 Ca -0.07 0.08 -0.33 0.00 -0.60 0.00 0.00 54.58 53.66 1gh1 n ASN 76 Cb 0.57 -5.34 0.01 0.00 -0.53 0.00 0.00 39.78 34.49 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 -3.66 3.49 0.00 1.20 1.02 -1.26 -4.93 118.68 114.55 1gh1 s LEU 77 Ca 0.06 1.79 0.28 0.00 0.02 0.00 0.00 54.13 56.27 1gh1 s LEU 77 Cb -0.02 -4.53 1.39 0.00 0.02 0.00 0.00 46.19 43.05 1gh1 s LEU 77 CO 0.75 -1.13 1.92 -0.81 0.02 0.00 0.00 176.35 177.11 1gh1 n PRO 78 N -2.04 1.30 -3.64 1.29 -0.04 -1.26 -4.91 135.00 125.71 1gh1 n PRO 78 Ca 0.08 -0.44 -0.04 0.00 -0.04 0.00 0.00 63.50 63.07 1gh1 n PRO 78 Cb 0.53 -1.45 -0.01 0.00 -0.04 0.00 0.00 33.50 32.52 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 -1.98 -0.17 0.00 0.54 -0.85 -1.26 -4.94 117.35 108.70 1gh1 s TYR 79 Ca 0.40 -0.02 0.00 0.00 -0.52 0.00 0.00 57.07 56.94 1gh1 s TYR 79 Cb 0.20 0.58 0.00 0.00 0.38 0.00 0.00 41.96 43.12 1gh1 s TYR 79 CO 0.33 -0.55 0.00 -2.37 -1.52 0.00 0.00 175.55 171.43 1gh1 n THR 80 N -0.37 0.00 -2.29 -3.49 5.66 -1.26 -5.05 114.28 107.48 1gh1 n THR 80 Ca -0.06 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.60 1gh1 n THR 80 Cb 0.61 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.35 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 -2.42 3.66 0.00 1.09 2.07 -1.26 -4.51 121.20 119.82 1gh1 s ILE 81 Ca 0.00 -0.49 0.00 0.00 -1.41 0.00 0.00 60.65 58.75 1gh1 s ILE 81 Cb 0.00 -4.49 0.00 0.00 0.13 0.00 0.00 42.46 38.10 1gh1 s ILE 81 CO 0.00 -1.41 0.00 -0.24 -1.91 0.00 0.00 174.94 171.38 1gh1 n SER 82 N 11.57 0.00 -2.68 4.50 2.88 -1.26 -4.88 113.62 123.75 1gh1 n SER 82 Ca 0.35 -0.80 -0.08 0.00 -1.33 0.00 0.00 58.87 57.01 1gh1 n SER 82 Cb 0.49 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.98 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 1.93 -0.92 2.46 4.32 -1.26 -4.53 117.00 118.99 1gh1 n LEU 83 Ca 0.00 -3.62 0.09 0.00 -0.02 0.00 0.00 56.01 52.46 1gh1 n LEU 83 Cb 0.00 0.34 0.18 0.00 -1.62 0.00 0.00 43.42 42.32 1gh1 n LEU 83 CO 0.00 1.44 0.64 -3.20 -1.22 0.00 0.00 177.39 175.05 1gh1 n ASN 84 N -0.33 3.10 -4.11 -1.43 2.85 -1.26 -4.97 115.26 109.11 1gh1 n ASN 84 Ca 0.12 -1.90 -0.16 0.00 -0.11 0.00 0.00 54.58 52.53 1gh1 n ASN 84 Cb 0.81 -0.22 -0.12 0.00 1.24 0.00 0.00 39.78 41.49 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 -1.24 0.86 -0.63 -1.44 -0.00 -1.26 -5.03 121.20 112.45 1gh1 s ILE 85 Ca 0.31 -1.11 0.24 0.00 -0.00 0.00 0.00 60.65 60.09 1gh1 s ILE 85 Cb 0.18 -0.85 0.11 0.00 -0.00 0.00 0.00 42.46 41.91 1gh1 s ILE 85 CO 0.25 -0.23 1.43 -0.78 -0.00 0.00 0.00 174.94 175.61 1gh1 h ASP 86 N 4.57 0.00 -1.11 4.36 3.58 -1.95 -3.47 116.42 122.39 1gh1 h ASP 86 Ca -0.38 -0.14 -0.21 0.00 0.42 0.00 0.00 57.03 56.72 1gh1 h ASP 86 Cb 1.19 0.00 -0.08 0.00 1.72 0.00 0.00 39.33 42.16 1gh1 h ASP 86 CO 0.41 0.07 -0.19 0.00 -2.88 0.00 0.00 179.24 176.66 1gh1 n SER 88 N -0.24 2.07 -1.59 0.00 3.41 -1.26 -4.46 113.62 111.54 1gh1 n SER 88 Ca -0.10 0.04 -0.14 0.00 -0.26 0.00 0.00 58.87 58.41 1gh1 n SER 88 Cb 0.40 -0.45 0.17 0.00 -0.26 0.00 0.00 64.21 64.06 1gh1 n SER 88 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1gh1 n ARG 89 N -3.44 2.17 0.00 4.33 1.74 -1.26 -5.05 116.66 115.15 1gh1 n ARG 89 Ca -0.39 -3.27 0.05 0.00 -0.77 0.00 0.00 57.85 53.48 1gh1 n ARG 89 Cb 0.85 -1.99 0.04 0.00 -1.02 0.00 0.00 32.46 30.35 1gh1 n ARG 89 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44