#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 -2.16 4.38 9.92 -1.26 -2.60 116.55 124.82 1gh1 n ASP 2 Ca 0.00 0.00 -0.02 0.00 -0.53 0.00 0.00 54.79 54.24 1gh1 n ASP 2 Cb 0.00 0.00 0.06 0.00 -0.64 0.00 0.00 41.12 40.54 1gh1 n ASP 2 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1gh1 n GLY 4 N -0.74 -0.96 0.04 0.00 0.00 -1.07 -4.02 105.19 98.43 1gh1 n GLY 4 Ca -0.10 -0.10 -0.04 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.03 0.00 0.12 1.61 -0.00 -1.26 -4.59 115.22 108.06 1gh1 n HIS 5 Ca -0.20 0.00 0.02 0.00 -0.00 0.00 0.00 57.72 57.54 1gh1 n HIS 5 Cb 1.07 -0.38 0.39 0.00 -0.00 0.00 0.00 29.99 31.07 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 1.18 -0.62 3.57 2.07 -1.90 -2.84 116.25 117.71 1gh1 h VAL 6 Ca -0.21 -0.77 0.12 0.00 0.82 0.00 0.00 66.70 66.66 1gh1 h VAL 6 Cb 1.45 1.20 -0.09 0.00 -1.52 0.00 0.00 31.29 32.32 1gh1 h VAL 6 CO 0.00 0.24 0.13 -0.78 0.02 0.00 0.00 177.57 177.18 1gh1 h ASP 7 N 0.23 -0.00 1.20 0.57 3.58 -1.81 0.92 116.42 121.11 1gh1 h ASP 7 Ca 0.05 0.12 -0.12 0.00 0.42 0.00 0.00 57.03 57.49 1gh1 h ASP 7 Cb 0.37 0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.56 1gh1 h ASP 7 CO 0.02 0.00 -0.58 0.77 -2.88 0.00 0.00 179.24 176.57 1gh1 h SER 8 N 0.26 0.00 0.14 2.28 4.64 -1.80 -2.13 113.55 116.95 1gh1 h SER 8 Ca 0.33 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.42 1gh1 h SER 8 Cb 0.49 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.59 1gh1 h SER 8 CO -0.42 0.58 -0.88 -0.07 -0.87 0.00 0.00 176.83 175.18 1gh1 h LEU 9 N 0.00 0.69 0.00 5.97 3.38 -1.01 -3.20 115.31 121.14 1gh1 h LEU 9 Ca -0.01 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 57.46 1gh1 h LEU 9 Cb 1.34 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1gh1 h LEU 9 CO 0.08 1.29 -0.53 -0.37 0.09 0.00 0.00 178.44 179.00 1gh1 h VAL 10 N 0.35 0.00 -0.40 1.22 -1.51 -0.91 -3.38 116.25 111.62 1gh1 h VAL 10 Ca -0.07 -0.59 0.03 0.00 -1.23 0.00 0.00 66.70 64.84 1gh1 h VAL 10 Cb 1.50 1.26 -0.04 0.00 -2.13 0.00 0.00 31.29 31.88 1gh1 h VAL 10 CO 0.16 0.00 0.18 -0.09 -1.23 0.00 0.00 177.57 176.60 1gh1 h ARG 11 N 0.00 0.37 -0.80 5.19 9.65 -1.37 -2.73 114.38 124.68 1gh1 h ARG 11 Ca 0.00 -0.02 0.10 0.00 -1.10 0.00 0.00 59.98 58.96 1gh1 h ARG 11 Cb 0.80 -0.08 -0.06 0.00 -1.39 0.00 0.00 29.97 29.24 1gh1 h ARG 11 CO 0.00 0.24 0.52 -1.00 2.80 0.00 0.00 179.97 182.54 1gh1 h PRO 12 N 0.38 0.70 0.00 0.20 0.13 -1.74 -1.89 132.00 129.78 1gh1 h PRO 12 Ca 0.17 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1gh1 h PRO 12 Cb 0.10 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 31.07 1gh1 h PRO 12 CO -0.13 0.46 0.00 0.00 -0.23 0.00 0.00 178.00 178.10 1gh1 h LEU 14 N 0.00 0.08 -2.11 0.00 4.07 -1.14 -2.95 115.31 113.26 1gh1 h LEU 14 Ca 0.00 -0.04 0.05 0.00 0.08 0.00 0.00 57.88 57.97 1gh1 h LEU 14 Cb 0.78 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 42.49 1gh1 h LEU 14 CO 0.00 0.59 0.32 -1.28 -1.08 0.00 0.00 178.44 176.99 1gh1 h SER 15 N 0.06 0.00 0.02 -0.43 0.87 -1.58 -1.28 113.55 111.21 1gh1 h SER 15 Ca -0.00 0.00 -0.39 0.00 -1.23 0.00 0.00 61.79 60.16 1gh1 h SER 15 Cb 0.95 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.85 1gh1 h SER 15 CO 0.07 0.00 -2.28 0.00 -0.53 0.00 0.00 176.83 174.09 1gh1 n TYR 16 N -3.37 0.31 -0.04 2.24 9.36 -1.14 -3.98 117.16 120.55 1gh1 n TYR 16 Ca 0.02 0.10 0.20 0.00 3.32 0.00 0.00 57.90 61.53 1gh1 n TYR 16 Cb 0.42 -1.04 0.66 0.00 -0.63 0.00 0.00 39.34 38.76 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 -0.49 0.73 0.00 2.97 2.07 -1.22 0.19 116.25 120.50 1gh1 h VAL 17 Ca -0.57 -0.03 -0.02 0.00 0.82 0.00 0.00 66.70 66.90 1gh1 h VAL 17 Cb 1.74 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 32.15 1gh1 h VAL 17 CO -0.21 0.01 -0.08 0.06 0.02 0.00 0.00 177.57 177.38 1gh1 h GLN 18 N 0.08 0.00 0.00 1.57 3.07 -1.45 -3.12 115.11 115.26 1gh1 h GLN 18 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.02 1gh1 h GLN 18 Cb 1.03 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.59 1gh1 h GLN 18 CO -0.02 0.08 0.00 0.41 0.09 0.00 0.00 178.83 179.39 1gh1 n GLY 19 N -0.63 1.01 0.00 0.06 0.00 0.05 -4.83 105.19 100.85 1gh1 n GLY 19 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.01 4.51 3.75 -0.02 0.00 -1.24 -5.10 105.19 107.08 1gh1 n GLY 20 Ca 0.00 -1.62 -0.41 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 -0.95 4.47 0.00 1.61 0.04 -1.26 -4.62 135.00 134.29 1gh1 s PRO 21 Ca 0.00 1.97 0.00 0.00 0.04 0.00 0.00 61.00 63.01 1gh1 s PRO 21 Cb 0.00 -3.19 0.00 0.00 0.04 0.00 0.00 34.50 31.35 1gh1 s PRO 21 CO 0.00 -0.09 0.00 0.41 0.04 0.00 0.00 177.00 177.36 1gh1 n GLY 22 N 1.78 -0.46 0.15 0.56 0.00 -1.26 -4.50 105.19 101.47 1gh1 n GLY 22 Ca 0.03 -1.16 -0.05 0.00 0.00 0.00 0.00 46.02 44.84 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 0.02 -0.31 0.00 1.61 0.13 -1.88 -3.46 132.00 128.11 1gh1 h PRO 23 Ca 0.00 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 1gh1 h PRO 23 Cb 0.00 0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.20 1gh1 h PRO 23 CO 0.00 -0.21 0.00 -1.13 -0.23 0.00 0.00 178.00 176.43 1gh1 n SER 24 N -4.13 0.00 0.00 1.44 3.41 -1.25 -4.61 113.62 108.48 1gh1 n SER 24 Ca -0.04 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.64 1gh1 n SER 24 Cb 0.13 0.00 0.36 0.00 -0.26 0.00 0.00 64.21 64.44 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 -0.50 -0.78 0.03 5.00 0.00 -1.26 -1.51 105.19 106.17 1gh1 n GLY 25 Ca 0.00 -0.07 0.11 0.00 0.00 0.00 0.00 46.02 46.06 1gh1 n GLY 25 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1gh1 n GLN 26 N -1.30 0.58 -0.37 1.61 7.27 -1.26 -3.88 117.38 120.02 1gh1 n GLN 26 Ca 0.07 -0.11 0.00 0.00 0.07 0.00 0.00 57.00 57.03 1gh1 n GLN 26 Cb 0.12 -1.58 0.14 0.00 2.41 0.00 0.00 30.24 31.33 1gh1 n GLN 26 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1gh1 h ASP 29 N -0.74 -0.34 0.41 0.00 1.82 -1.67 0.42 116.42 116.32 1gh1 h ASP 29 Ca 0.00 0.11 -0.01 0.00 -0.39 0.00 0.00 57.03 56.74 1gh1 h ASP 29 Cb 0.01 0.23 -0.01 0.00 0.68 0.00 0.00 39.33 40.24 1gh1 h ASP 29 CO 0.00 -0.12 -0.32 1.23 -1.61 0.00 0.00 179.24 178.42 1gh1 h GLY 30 N 0.01 -0.79 1.45 -0.78 0.00 0.39 -0.86 103.07 102.49 1gh1 h GLY 30 Ca 0.19 0.36 -0.19 0.00 0.00 0.00 0.00 47.33 47.69 1gh1 h GLY 30 CO -0.39 -0.29 -0.68 -2.08 0.00 0.00 0.00 176.54 173.10 1gh1 h VAL 31 N -0.73 1.34 -0.48 4.60 2.07 -1.19 -2.34 116.25 119.51 1gh1 h VAL 31 Ca -0.04 -1.99 0.06 0.00 0.82 0.00 0.00 66.70 65.55 1gh1 h VAL 31 Cb 0.63 1.97 -0.05 0.00 -1.52 0.00 0.00 31.29 32.31 1gh1 h VAL 31 CO -0.00 0.61 0.20 0.50 0.02 0.00 0.00 177.57 178.89 1gh1 h LYS 32 N 0.39 0.38 0.48 1.57 3.64 -0.08 0.11 116.57 123.07 1gh1 h LYS 32 Ca -0.02 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 1gh1 h LYS 32 Cb 1.26 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 1gh1 h LYS 32 CO 0.13 0.25 -0.23 -0.91 -2.27 0.00 0.00 179.45 176.42 1gh1 h ASN 33 N 0.39 -0.55 0.04 4.20 2.35 -1.05 -0.81 115.58 120.15 1gh1 h ASN 33 Ca 0.23 -0.01 0.03 0.00 -0.55 0.00 0.00 56.30 55.99 1gh1 h ASN 33 Cb 0.20 0.14 -0.05 0.00 0.05 0.00 0.00 38.32 38.67 1gh1 h ASN 33 CO -0.21 -0.35 -0.36 0.25 -1.65 0.00 0.00 177.43 175.12 1gh1 h LEU 34 N -0.72 -1.08 -0.20 1.61 6.46 -0.98 0.28 115.31 120.69 1gh1 h LEU 34 Ca -0.07 0.13 0.05 0.00 -0.12 0.00 0.00 57.88 57.88 1gh1 h LEU 34 Cb 0.53 0.42 -0.07 0.00 -0.73 0.00 0.00 40.66 40.81 1gh1 h LEU 34 CO 0.11 -0.43 -0.41 -0.74 -0.62 0.00 0.00 178.44 176.36 1gh1 h HIS 35 N -0.54 -1.16 -0.99 1.25 2.76 -0.74 0.36 115.15 116.10 1gh1 h HIS 35 Ca 0.05 0.05 0.06 0.00 -2.20 0.00 0.00 60.37 58.33 1gh1 h HIS 35 Cb 0.61 0.54 -0.07 0.00 1.55 0.00 0.00 27.41 30.04 1gh1 h HIS 35 CO -0.36 -0.45 0.64 -0.97 -1.30 0.00 0.00 177.93 175.49 1gh1 h ASN 36 N -0.43 1.02 -0.35 3.26 -0.73 -0.73 -1.28 115.58 116.34 1gh1 h ASN 36 Ca 0.10 0.01 -0.08 0.00 1.87 0.00 0.00 56.30 58.20 1gh1 h ASN 36 Cb 0.60 -0.21 -0.02 0.00 0.27 0.00 0.00 38.32 38.96 1gh1 h ASN 36 CO -0.44 0.66 -0.03 -0.61 -0.37 0.00 0.00 177.43 176.64 1gh1 h GLN 37 N 1.16 0.74 -5.93 6.67 4.15 0.12 -3.40 115.11 118.62 1gh1 h GLN 37 Ca 0.42 -0.21 -0.49 0.00 0.77 0.00 0.00 58.65 59.15 1gh1 h GLN 37 Cb 0.16 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 27.73 1gh1 h GLN 37 CO -0.16 0.78 1.36 0.00 -1.93 0.00 0.00 178.83 178.87 1gh1 s ALA 38 N -4.92 2.10 -0.05 3.38 0.00 0.11 -4.74 121.76 117.63 1gh1 s ALA 38 Ca -0.09 -0.62 0.12 0.00 0.00 0.00 0.00 51.96 51.37 1gh1 s ALA 38 Cb 0.15 -4.32 -0.17 0.00 0.00 0.00 0.00 23.12 18.77 1gh1 s ALA 38 CO 0.81 -3.99 0.18 -2.13 0.00 0.00 0.00 175.76 170.63 1gh1 n ARG 39 N 9.16 1.06 -4.63 0.00 0.63 -1.26 -4.89 116.66 116.74 1gh1 n ARG 39 Ca 0.23 -0.07 -0.31 0.00 -0.92 0.00 0.00 57.85 56.77 1gh1 n ARG 39 Cb 0.52 -1.29 -0.07 0.00 0.45 0.00 0.00 32.46 32.06 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 -3.81 4.15 0.40 6.15 1.04 -1.26 -5.03 113.70 115.34 1gh1 s SER 40 Ca -0.05 -1.55 0.12 0.00 0.48 0.00 0.00 55.95 54.95 1gh1 s SER 40 Cb 0.06 0.33 0.83 0.00 0.10 0.00 0.00 66.02 67.34 1gh1 s SER 40 CO 0.50 -0.80 1.91 -0.61 0.98 0.00 0.00 173.24 175.22 1gh1 h GLN 41 N 1.36 0.10 -0.64 4.02 4.15 -1.97 -2.04 115.11 120.10 1gh1 h GLN 41 Ca -0.43 -0.03 0.07 0.00 0.77 0.00 0.00 58.65 59.03 1gh1 h GLN 41 Cb 1.30 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.94 1gh1 h GLN 41 CO 0.74 0.32 0.42 0.66 -1.93 0.00 0.00 178.83 179.03 1gh1 h SER 42 N 0.10 0.54 0.35 -0.69 4.64 -1.98 0.55 113.55 117.05 1gh1 h SER 42 Ca 0.02 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.02 1gh1 h SER 42 Cb 0.43 -0.11 -0.04 0.00 -0.31 0.00 0.00 62.40 62.37 1gh1 h SER 42 CO 0.03 0.34 -1.83 -0.67 -0.87 0.00 0.00 176.83 173.83 1gh1 n ASP 43 N -4.48 1.27 0.05 4.97 -0.08 -0.98 -2.78 116.55 114.52 1gh1 n ASP 43 Ca 0.09 0.33 -0.13 0.00 -1.51 0.00 0.00 54.79 53.57 1gh1 n ASP 43 Cb 0.25 -0.30 -0.03 0.00 2.34 0.00 0.00 41.12 43.38 1gh1 n ASP 43 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 1gh1 h ARG 44 N 0.02 0.49 0.22 -0.67 3.08 -0.90 -2.37 114.38 114.25 1gh1 h ARG 44 Ca -0.34 -0.46 -0.30 0.00 0.07 0.00 0.00 59.98 58.94 1gh1 h ARG 44 Cb 2.03 0.12 0.04 0.00 0.08 0.00 0.00 29.97 32.23 1gh1 h ARG 44 CO 0.08 1.10 -1.32 0.37 -1.07 0.00 0.00 179.97 179.13 1gh1 h GLN 45 N 0.30 0.50 0.76 0.04 4.15 -0.09 -2.97 115.11 117.81 1gh1 h GLN 45 Ca -0.06 -0.84 -0.04 0.00 0.77 0.00 0.00 58.65 58.48 1gh1 h GLN 45 Cb 1.47 0.31 0.01 0.00 0.21 0.00 0.00 27.48 29.48 1gh1 h GLN 45 CO 0.15 1.40 -0.36 0.77 -1.93 0.00 0.00 178.83 178.86 1gh1 h SER 46 N 0.05 -0.86 -0.69 -0.69 0.02 -1.55 -2.50 113.55 107.33 1gh1 h SER 46 Ca -0.23 0.02 0.09 0.00 -0.84 0.00 0.00 61.79 60.83 1gh1 h SER 46 Cb 2.04 0.22 -0.04 0.00 0.14 0.00 0.00 62.40 64.76 1gh1 h SER 46 CO 0.25 -0.59 0.46 0.00 -1.14 0.00 0.00 176.83 175.81 1gh1 h ALA 47 N -0.83 1.86 -0.94 3.77 0.00 -1.56 0.29 119.26 121.85 1gh1 h ALA 47 Ca -0.10 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1gh1 h ALA 47 Cb 0.79 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.40 1gh1 h ALA 47 CO 0.17 -0.00 0.58 0.00 0.00 0.00 0.00 179.25 180.00 1gh1 h ASN 49 N 1.29 0.77 0.39 0.00 2.35 -0.50 -1.20 115.58 118.67 1gh1 h ASN 49 Ca 0.34 -0.10 -0.00 0.00 -0.55 0.00 0.00 56.30 55.99 1gh1 h ASN 49 Cb -0.08 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.07 1gh1 h ASN 49 CO -0.07 0.69 -0.45 0.00 -1.65 0.00 0.00 177.43 175.95 1gh1 h LEU 51 N -0.87 0.77 0.44 0.00 3.38 -1.44 -0.82 115.31 116.77 1gh1 h LEU 51 Ca -0.04 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1gh1 h LEU 51 Cb 0.79 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1gh1 h LEU 51 CO -0.10 0.52 -0.21 0.50 0.09 0.00 0.00 178.44 179.24 1gh1 h LYS 52 N 0.91 -0.57 -0.87 1.13 3.64 -0.80 0.28 116.57 120.28 1gh1 h LYS 52 Ca 0.31 0.04 0.05 0.00 -1.27 0.00 0.00 60.65 59.78 1gh1 h LYS 52 Cb 0.06 0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 31.95 1gh1 h LYS 52 CO -0.13 -0.29 0.57 0.78 -2.27 0.00 0.00 179.45 178.12 1gh1 h GLY 53 N -0.81 1.25 0.38 5.01 0.00 -0.57 -2.20 103.07 106.12 1gh1 h GLY 53 Ca -0.06 -0.42 -0.02 0.00 0.00 0.00 0.00 47.33 46.83 1gh1 h GLY 53 CO 0.10 0.34 -0.18 -2.22 0.00 0.00 0.00 176.54 174.58 1gh1 h ILE 54 N 1.05 0.00 -1.16 2.60 2.04 -1.02 -3.18 117.51 117.84 1gh1 h ILE 54 Ca 0.36 -0.24 0.36 0.00 1.00 0.00 0.00 64.86 66.34 1gh1 h ILE 54 Cb 0.09 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.05 1gh1 h ILE 54 CO -0.12 0.00 0.73 0.00 0.00 0.00 0.00 178.15 178.76 1gh1 h ALA 55 N -1.53 2.41 0.00 1.87 0.00 -0.38 0.45 119.26 122.08 1gh1 h ALA 55 Ca -0.05 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1gh1 h ALA 55 Cb 0.39 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1gh1 h ALA 55 CO 0.09 -0.97 -0.13 -0.09 0.00 0.00 0.00 179.25 178.14 1gh1 h ARG 56 N 0.23 0.00 -0.66 0.00 2.43 -1.42 -2.69 114.38 112.26 1gh1 h ARG 56 Ca 0.73 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 59.74 1gh1 h ARG 56 Cb 2.05 0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 31.51 1gh1 h ARG 56 CO -0.43 0.13 0.19 0.41 -1.51 0.00 0.00 179.97 178.77 1gh1 n GLY 57 N -0.34 3.62 3.24 2.80 0.00 0.16 -4.91 105.19 109.75 1gh1 n GLY 57 Ca -0.01 -1.00 -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 -2.96 1.87 -0.05 -0.61 1.01 -1.02 -5.02 121.20 114.42 1gh1 s ILE 58 Ca 0.54 -0.98 0.10 0.00 0.00 0.00 0.00 60.65 60.31 1gh1 s ILE 58 Cb 0.43 -1.58 -0.24 0.00 0.01 0.00 0.00 42.46 41.09 1gh1 s ILE 58 CO 0.13 0.53 0.62 1.57 0.00 0.00 0.00 174.94 177.78 1gh1 n HIS 59 N 2.86 1.04 -3.45 3.97 -0.00 -1.26 -4.49 115.22 113.90 1gh1 n HIS 59 Ca -0.17 0.35 -0.39 0.00 0.46 0.00 0.00 57.72 57.97 1gh1 n HIS 59 Cb 0.52 -1.18 -0.04 0.00 -0.12 0.00 0.00 29.99 29.17 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 -3.11 4.88 -4.72 0.26 2.85 -1.26 -5.04 115.26 109.12 1gh1 n ASN 60 Ca -0.19 -3.16 -0.39 0.00 -0.11 0.00 0.00 54.58 50.73 1gh1 n ASN 60 Cb 1.05 -1.16 -0.05 0.00 1.24 0.00 0.00 39.78 40.86 1gh1 n ASN 60 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 1gh1 s LEU 61 N -1.62 4.31 -0.53 1.20 2.96 -1.26 -4.75 118.68 118.99 1gh1 s LEU 61 Ca 0.30 0.99 -0.01 0.00 -0.22 0.00 0.00 54.13 55.19 1gh1 s LEU 61 Cb -0.05 -2.87 0.14 0.00 0.50 0.00 0.00 46.19 43.91 1gh1 s LEU 61 CO -0.07 -0.03 0.32 0.21 -1.32 0.00 0.00 176.35 175.45 1gh1 s ASN 62 N 0.60 5.07 0.34 3.68 3.84 -1.18 -4.93 114.94 122.36 1gh1 s ASN 62 Ca 0.31 -2.59 0.03 0.00 0.21 0.00 0.00 52.86 50.82 1gh1 s ASN 62 Cb -0.16 -1.80 0.63 0.00 -0.55 0.00 0.00 41.25 39.36 1gh1 s ASN 62 CO 0.14 -0.40 1.95 -0.33 -2.79 0.00 0.00 177.10 175.67 1gh1 h GLU 63 N 7.29 0.69 -0.37 0.43 5.08 -1.87 -1.95 114.58 123.88 1gh1 h GLU 63 Ca -0.06 -0.09 0.07 0.00 -1.00 0.00 0.00 59.36 58.28 1gh1 h GLU 63 Cb 0.98 -0.13 -0.06 0.00 0.50 0.00 0.00 28.75 30.03 1gh1 h GLU 63 CO 0.69 0.55 -0.03 0.22 -1.00 0.00 0.00 179.01 179.44 1gh1 h ASP 64 N 0.69 -0.21 0.08 1.42 3.58 -1.95 -0.24 116.42 119.78 1gh1 h ASP 64 Ca 0.17 0.09 -0.00 0.00 0.42 0.00 0.00 57.03 57.71 1gh1 h ASP 64 Cb 0.10 0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.33 1gh1 h ASP 64 CO -0.02 -0.07 -0.04 0.78 -2.88 0.00 0.00 179.24 177.01 1gh1 h ASN 65 N 0.06 -0.09 -0.87 2.28 2.35 -1.79 -1.20 115.58 116.33 1gh1 h ASN 65 Ca 0.18 -0.35 0.23 0.00 -0.55 0.00 0.00 56.30 55.81 1gh1 h ASN 65 Cb 0.26 0.02 -0.14 0.00 0.05 0.00 0.00 38.32 38.51 1gh1 h ASN 65 CO -0.33 0.31 0.17 0.00 -1.65 0.00 0.00 177.43 175.93 1gh1 h ALA 66 N 0.35 1.18 0.00 -0.83 0.00 -0.98 0.75 119.26 119.72 1gh1 h ALA 66 Ca -0.01 0.24 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 1gh1 h ALA 66 Cb 0.43 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1gh1 h ALA 66 CO 0.02 -0.47 -0.27 -0.09 0.00 0.00 0.00 179.25 178.44 1gh1 h ARG 67 N 0.16 0.00 -0.02 0.00 1.12 -1.01 -3.20 114.38 111.43 1gh1 h ARG 67 Ca 0.53 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.40 1gh1 h ARG 67 Cb 1.06 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.02 1gh1 h ARG 67 CO -0.69 0.27 0.00 0.43 -3.11 0.00 0.00 179.97 176.87 1gh1 n SER 68 N -3.20 0.64 0.02 -3.80 7.64 0.25 -4.03 113.62 111.14 1gh1 n SER 68 Ca 0.02 -1.30 -0.02 0.00 1.01 0.00 0.00 58.87 58.58 1gh1 n SER 68 Cb 0.60 -0.01 -0.01 0.00 -1.01 0.00 0.00 64.21 63.78 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 0.96 0.00 -0.76 0.44 2.04 -1.33 -3.35 117.51 115.51 1gh1 h ILE 69 Ca 0.00 -0.80 0.09 0.00 1.00 0.00 0.00 64.86 65.15 1gh1 h ILE 69 Cb 0.21 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.22 1gh1 h ILE 69 CO 0.00 0.00 0.42 1.55 0.00 0.00 0.00 178.15 180.12 1gh1 h PRO 70 N -0.95 0.70 0.85 2.37 0.13 -1.78 -2.66 132.00 130.67 1gh1 h PRO 70 Ca -0.02 -0.04 -0.04 0.00 -0.87 0.00 0.00 66.00 65.03 1gh1 h PRO 70 Cb 0.12 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 31.09 1gh1 h PRO 70 CO 0.03 0.46 -0.46 -1.00 -0.23 0.00 0.00 178.00 176.80 1gh1 h PRO 71 N 0.72 -1.17 -0.84 1.56 0.13 -1.75 0.72 132.00 131.37 1gh1 h PRO 71 Ca 0.36 0.08 0.12 0.00 -0.87 0.00 0.00 66.00 65.69 1gh1 h PRO 71 Cb 0.32 0.27 -0.06 0.00 0.13 0.00 0.00 31.00 31.65 1gh1 h PRO 71 CO -0.24 -0.78 0.54 1.57 -0.23 0.00 0.00 178.00 178.87 1gh1 h LYS 72 N -1.21 0.70 0.38 0.86 2.10 -1.68 -2.92 116.57 114.80 1gh1 h LYS 72 Ca -0.11 -0.04 -0.02 0.00 -2.00 0.00 0.00 60.65 58.47 1gh1 h LYS 72 Cb 0.95 -0.16 0.00 0.00 -0.90 0.00 0.00 32.23 32.13 1gh1 h LYS 72 CO 0.16 0.46 -0.18 0.00 -2.00 0.00 0.00 179.45 177.88 1gh1 n GLY 74 N 0.05 1.47 0.02 0.00 0.00 0.23 -5.00 105.19 101.96 1gh1 n GLY 74 Ca -0.09 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.11 0.28 -2.82 1.61 0.24 -1.21 -5.08 118.33 110.24 1gh1 n VAL 75 Ca 0.00 -0.26 -0.01 0.00 -2.04 0.00 0.00 64.34 62.04 1gh1 n VAL 75 Cb 0.00 -0.29 -0.01 0.00 -1.47 0.00 0.00 33.84 32.07 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 -2.05 -6.82 -4.88 -1.34 5.15 -1.24 -4.98 115.26 99.09 1gh1 n ASN 76 Ca -0.07 1.19 -0.30 0.00 -0.60 0.00 0.00 54.58 54.80 1gh1 n ASN 76 Cb 0.50 -4.38 -0.00 0.00 -0.53 0.00 0.00 39.78 35.37 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 -1.32 3.49 0.00 1.20 1.02 -1.26 -4.95 118.68 116.86 1gh1 s LEU 77 Ca -0.03 1.23 0.16 0.00 0.02 0.00 0.00 54.13 55.50 1gh1 s LEU 77 Cb 0.00 -4.21 0.55 0.00 0.02 0.00 0.00 46.19 42.55 1gh1 s LEU 77 CO 0.59 -0.67 1.41 -0.81 0.02 0.00 0.00 176.35 176.88 1gh1 n PRO 78 N -2.25 1.73 -3.54 1.29 -0.04 -1.26 -4.90 135.00 126.02 1gh1 n PRO 78 Ca 0.04 -1.12 -0.07 0.00 -0.04 0.00 0.00 63.50 62.31 1gh1 n PRO 78 Cb 0.54 -1.33 -0.02 0.00 -0.04 0.00 0.00 33.50 32.65 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 -1.68 -0.27 0.00 0.54 -0.85 -1.26 -5.01 117.35 108.82 1gh1 s TYR 79 Ca 0.28 0.19 0.00 0.00 -0.52 0.00 0.00 57.07 57.02 1gh1 s TYR 79 Cb 0.15 0.52 0.00 0.00 0.38 0.00 0.00 41.96 43.01 1gh1 s TYR 79 CO 0.21 -0.40 0.00 -2.37 -1.52 0.00 0.00 175.55 171.47 1gh1 n THR 80 N -0.11 0.00 -2.68 -3.49 5.66 -1.26 -5.06 114.28 107.34 1gh1 n THR 80 Ca -0.05 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.51 1gh1 n THR 80 Cb 0.60 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.38 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 0.00 4.11 -3.94 1.09 -0.00 -1.26 -4.73 119.36 114.63 1gh1 n ILE 81 Ca 0.00 -4.38 -0.09 0.00 -0.00 0.00 0.00 62.75 58.28 1gh1 n ILE 81 Cb 0.00 -2.43 -0.03 0.00 -0.00 0.00 0.00 39.64 37.19 1gh1 n ILE 81 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.55 176.11 1gh1 s SER 82 N 3.10 0.03 -0.40 4.38 0.01 -1.26 -4.80 113.70 114.76 1gh1 s SER 82 Ca 0.46 -0.97 0.05 0.00 1.31 0.00 0.00 55.95 56.81 1gh1 s SER 82 Cb 0.02 0.68 0.44 0.00 0.21 0.00 0.00 66.02 67.37 1gh1 s SER 82 CO 0.02 -1.32 1.24 0.18 0.41 0.00 0.00 173.24 173.78 1gh1 n LEU 83 N -0.45 5.12 -0.02 2.44 4.32 -1.26 -4.59 117.00 122.56 1gh1 n LEU 83 Ca -0.03 -4.93 -0.01 0.00 -0.02 0.00 0.00 56.01 51.02 1gh1 n LEU 83 Cb 0.61 -0.46 -0.04 0.00 -1.62 0.00 0.00 43.42 41.91 1gh1 n LEU 83 CO 0.22 2.11 -0.63 0.59 -1.22 0.00 0.00 177.39 178.46 1gh1 n ASN 84 N -0.62 3.80 -4.73 -1.43 3.02 -1.26 -5.04 115.26 109.01 1gh1 n ASN 84 Ca 0.43 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.68 1gh1 n ASN 84 Cb 0.79 0.79 0.12 0.00 -0.61 0.00 0.00 39.78 40.87 1gh1 n ASN 84 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1gh1 s ILE 85 N -2.18 2.80 -0.12 2.41 1.09 -1.26 -4.97 121.20 118.96 1gh1 s ILE 85 Ca -0.02 0.26 0.01 0.00 -1.10 0.00 0.00 60.65 59.80 1gh1 s ILE 85 Cb 0.02 -2.57 -0.24 0.00 -1.06 0.00 0.00 42.46 38.61 1gh1 s ILE 85 CO 0.20 -0.34 0.34 -0.67 -0.10 0.00 0.00 174.94 174.37 1gh1 n ASP 86 N -3.83 1.67 0.00 3.58 -0.08 -1.26 -4.96 116.55 111.66 1gh1 n ASP 86 Ca 0.10 0.20 0.00 0.00 -1.51 0.00 0.00 54.79 53.58 1gh1 n ASP 86 Cb 0.53 -0.49 0.00 0.00 2.34 0.00 0.00 41.12 43.50 1gh1 n ASP 86 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1gh1 h SER 88 N 0.00 0.00 -2.28 0.00 0.87 -1.92 -3.33 113.55 106.89 1gh1 h SER 88 Ca 0.00 0.00 -0.59 0.00 -1.23 0.00 0.00 61.79 59.97 1gh1 h SER 88 Cb 0.00 0.00 -0.42 0.00 -0.44 0.00 0.00 62.40 61.54 1gh1 h SER 88 CO 0.00 0.74 -0.61 -1.14 -0.53 0.00 0.00 176.83 175.29 1gh1 n ARG 89 N -3.58 3.20 0.00 2.24 0.00 -1.26 -5.04 116.66 112.22 1gh1 n ARG 89 Ca -0.00 -4.85 0.08 0.00 -0.00 0.00 0.00 57.85 53.08 1gh1 n ARG 89 Cb 0.74 -2.25 0.06 0.00 0.00 0.00 0.00 32.46 31.02 1gh1 n ARG 89 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96