#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 7.41 -3.56 4.38 9.92 -1.26 -4.77 116.55 128.67 1gh1 n ASP 2 Ca 0.00 -3.67 -0.26 0.00 -0.53 0.00 0.00 54.79 50.33 1gh1 n ASP 2 Cb 0.00 -1.14 -0.01 0.00 -0.64 0.00 0.00 41.12 39.32 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 -0.99 0.24 0.00 0.00 0.00 -1.99 -3.31 103.07 97.01 1gh1 h GLY 4 Ca -0.44 -0.61 -0.17 0.00 0.00 0.00 0.00 47.33 46.11 1gh1 h GLY 4 CO 0.57 0.54 -1.64 1.57 0.00 0.00 0.00 176.54 177.58 1gh1 n HIS 5 N -3.44 0.00 -0.08 5.60 -0.00 -1.26 -4.58 115.22 111.47 1gh1 n HIS 5 Ca -0.12 0.00 0.01 0.00 -0.00 0.00 0.00 57.72 57.61 1gh1 n HIS 5 Cb 1.03 -0.45 0.31 0.00 -0.00 0.00 0.00 29.99 30.87 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 1.17 -0.41 3.57 2.07 -1.96 -2.68 116.25 118.01 1gh1 h VAL 6 Ca -0.25 -0.46 0.09 0.00 0.82 0.00 0.00 66.70 66.89 1gh1 h VAL 6 Cb 1.53 0.51 -0.08 0.00 -1.52 0.00 0.00 31.29 31.73 1gh1 h VAL 6 CO 0.00 0.19 -0.16 -0.78 0.02 0.00 0.00 177.57 176.85 1gh1 h ASP 7 N 0.71 -0.56 0.99 0.57 3.58 -1.81 -0.25 116.42 119.65 1gh1 h ASP 7 Ca 0.18 0.14 -0.03 0.00 0.42 0.00 0.00 57.03 57.74 1gh1 h ASP 7 Cb 0.06 0.32 -0.00 0.00 1.72 0.00 0.00 39.33 41.43 1gh1 h ASP 7 CO -0.03 -0.20 -0.15 -1.28 -2.88 0.00 0.00 179.24 174.71 1gh1 h SER 8 N -0.08 0.00 0.42 2.28 0.87 -1.77 -1.63 113.55 113.65 1gh1 h SER 8 Ca 0.20 0.00 -0.27 0.00 -1.23 0.00 0.00 61.79 60.49 1gh1 h SER 8 Cb 0.38 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.36 1gh1 h SER 8 CO -0.46 0.15 -1.17 -0.07 -0.53 0.00 0.00 176.83 174.75 1gh1 h LEU 9 N 0.00 0.58 0.00 2.23 3.38 -0.78 -3.28 115.31 117.44 1gh1 h LEU 9 Ca -0.00 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.42 1gh1 h LEU 9 Cb 0.69 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1gh1 h LEU 9 CO 0.02 1.39 -0.61 1.33 0.09 0.00 0.00 178.44 180.66 1gh1 n VAL 10 N -3.66 0.19 -0.21 1.22 0.24 -0.41 -4.18 118.33 111.51 1gh1 n VAL 10 Ca -0.10 -0.16 -0.07 0.00 -2.04 0.00 0.00 64.34 61.98 1gh1 n VAL 10 Cb 0.97 0.05 0.03 0.00 -1.47 0.00 0.00 33.84 33.42 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 0.87 -0.33 7.34 9.65 -1.35 -3.01 114.38 127.54 1gh1 h ARG 11 Ca 0.00 -0.13 0.02 0.00 -1.10 0.00 0.00 59.98 58.77 1gh1 h ARG 11 Cb 0.64 -0.16 -0.02 0.00 -1.39 0.00 0.00 29.97 29.05 1gh1 h ARG 11 CO 0.00 0.70 0.22 -1.00 2.80 0.00 0.00 179.97 182.69 1gh1 h PRO 12 N 0.82 0.36 0.00 0.20 0.13 -1.74 -2.50 132.00 129.27 1gh1 h PRO 12 Ca 0.21 -0.02 -0.05 0.00 -0.87 0.00 0.00 66.00 65.26 1gh1 h PRO 12 Cb 0.12 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.16 1gh1 h PRO 12 CO -0.03 0.24 -0.25 0.00 -0.23 0.00 0.00 178.00 177.73 1gh1 h LEU 14 N 0.00 0.25 -1.99 0.00 3.38 -1.45 -2.37 115.31 113.13 1gh1 h LEU 14 Ca -0.00 -0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.02 1gh1 h LEU 14 Cb 0.86 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 1gh1 h LEU 14 CO 0.03 0.25 0.39 -1.28 0.09 0.00 0.00 178.44 177.93 1gh1 h SER 15 N 0.28 0.00 0.03 -0.43 0.87 -1.65 -0.83 113.55 111.83 1gh1 h SER 15 Ca 0.07 0.00 -0.38 0.00 -1.23 0.00 0.00 61.79 60.25 1gh1 h SER 15 Cb 0.10 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.00 1gh1 h SER 15 CO -0.01 0.00 -2.19 0.00 -0.53 0.00 0.00 176.83 174.10 1gh1 n TYR 16 N -3.41 0.45 -0.02 2.24 9.36 -0.90 -3.92 117.16 120.95 1gh1 n TYR 16 Ca 0.04 0.13 0.18 0.00 3.32 0.00 0.00 57.90 61.56 1gh1 n TYR 16 Cb 0.52 -1.05 0.63 0.00 -0.63 0.00 0.00 39.34 38.81 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 -0.42 0.78 0.00 2.97 2.07 -1.17 -0.34 116.25 120.14 1gh1 h VAL 17 Ca -0.54 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 66.92 1gh1 h VAL 17 Cb 1.76 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 32.17 1gh1 h VAL 17 CO -0.16 0.02 -0.08 0.06 0.02 0.00 0.00 177.57 177.43 1gh1 h GLN 18 N 0.12 0.00 0.00 1.57 3.07 -1.37 -3.10 115.11 115.39 1gh1 h GLN 18 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.00 1gh1 h GLN 18 Cb 0.86 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.42 1gh1 h GLN 18 CO -0.03 0.08 0.00 0.41 0.09 0.00 0.00 178.83 179.38 1gh1 n GLY 19 N -0.59 0.99 0.10 0.06 0.00 -0.14 -4.82 105.19 100.80 1gh1 n GLY 19 Ca -0.01 0.00 -0.01 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 0.00 4.01 3.74 -0.02 0.00 -1.24 -5.10 105.19 106.59 1gh1 n GLY 20 Ca 0.00 -1.72 -0.41 0.00 0.00 0.00 0.00 46.02 43.89 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 -2.04 4.42 0.00 1.61 0.04 -1.26 -4.60 135.00 133.16 1gh1 s PRO 21 Ca 0.01 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.06 1gh1 s PRO 21 Cb 0.00 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.34 1gh1 s PRO 21 CO 0.01 -0.19 0.00 0.41 0.04 0.00 0.00 177.00 177.27 1gh1 n GLY 22 N 2.17 -0.51 0.20 0.56 0.00 -1.26 -4.56 105.19 101.80 1gh1 n GLY 22 Ca 0.05 -0.97 -0.07 0.00 0.00 0.00 0.00 46.02 45.03 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 -0.45 0.00 1.61 0.13 -1.86 -3.46 132.00 127.97 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 0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.23 1gh1 h PRO 23 CO 0.00 -0.30 0.00 -1.13 -0.23 0.00 0.00 178.00 176.34 1gh1 n SER 24 N -4.43 0.00 0.00 1.44 3.41 -1.26 -4.62 113.62 108.16 1gh1 n SER 24 Ca -0.06 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.65 1gh1 n SER 24 Cb 0.18 0.00 0.49 0.00 -0.26 0.00 0.00 64.21 64.62 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 -0.36 -1.02 0.01 5.00 0.00 -1.26 -2.33 105.19 105.23 1gh1 n GLY 25 Ca 0.00 -0.09 0.11 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.35 0.61 -0.22 1.61 6.02 -1.26 -3.93 117.38 118.86 1gh1 n GLN 26 Ca 0.08 -0.18 0.06 0.00 -0.01 0.00 0.00 57.00 56.95 1gh1 n GLN 26 Cb 0.18 -1.53 0.32 0.00 1.02 0.00 0.00 30.24 30.24 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 -0.81 0.51 0.13 0.00 3.58 -1.68 0.39 116.42 118.54 1gh1 h ASP 29 Ca 0.00 -0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.43 1gh1 h ASP 29 Cb 0.18 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.10 1gh1 h ASP 29 CO 0.00 0.36 -0.06 1.23 -2.88 0.00 0.00 179.24 177.89 1gh1 h GLY 30 N 0.60 -0.18 1.41 -0.78 0.00 0.62 -2.57 103.07 102.16 1gh1 h GLY 30 Ca 0.18 0.07 -0.19 0.00 0.00 0.00 0.00 47.33 47.39 1gh1 h GLY 30 CO -0.04 -0.07 -0.66 -2.08 0.00 0.00 0.00 176.54 173.69 1gh1 h VAL 31 N -0.74 1.32 -0.47 4.60 2.07 -1.26 -2.41 116.25 119.37 1gh1 h VAL 31 Ca -0.02 -1.94 0.08 0.00 0.82 0.00 0.00 66.70 65.65 1gh1 h VAL 31 Cb 0.53 1.91 -0.07 0.00 -1.52 0.00 0.00 31.29 32.14 1gh1 h VAL 31 CO 0.03 0.60 0.06 0.50 0.02 0.00 0.00 177.57 178.78 1gh1 h LYS 32 N 0.43 0.18 -0.03 1.57 3.64 -0.31 0.12 116.57 122.18 1gh1 h LYS 32 Ca -0.02 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1gh1 h LYS 32 Cb 1.24 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1gh1 h LYS 32 CO 0.13 0.12 0.02 -0.91 -2.27 0.00 0.00 179.45 176.54 1gh1 h ASN 33 N 0.19 0.04 0.32 4.20 2.35 -1.34 -1.11 115.58 120.22 1gh1 h ASN 33 Ca 0.24 -0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.98 1gh1 h ASN 33 Cb 0.33 -0.01 -0.03 0.00 0.05 0.00 0.00 38.32 38.66 1gh1 h ASN 33 CO -0.34 0.03 -0.50 0.25 -1.65 0.00 0.00 177.43 175.23 1gh1 h LEU 34 N 0.04 -1.42 -0.32 1.61 5.85 -0.75 0.22 115.31 120.54 1gh1 h LEU 34 Ca 0.01 0.13 0.07 0.00 0.84 0.00 0.00 57.88 58.93 1gh1 h LEU 34 Cb -0.00 0.50 -0.08 0.00 0.37 0.00 0.00 40.66 41.44 1gh1 h LEU 34 CO -0.00 -0.60 -0.32 -0.74 -0.34 0.00 0.00 178.44 176.44 1gh1 h HIS 35 N -0.87 -0.87 -0.59 1.25 2.76 -0.69 0.24 115.15 116.38 1gh1 h HIS 35 Ca -0.03 0.05 0.05 0.00 -2.20 0.00 0.00 60.37 58.24 1gh1 h HIS 35 Cb 0.81 0.43 -0.05 0.00 1.55 0.00 0.00 27.41 30.15 1gh1 h HIS 35 CO -0.33 -0.38 0.32 -0.97 -1.30 0.00 0.00 177.93 175.27 1gh1 h ASN 36 N -0.28 0.46 -0.52 3.26 -0.73 -0.96 -2.19 115.58 114.62 1gh1 h ASN 36 Ca 0.15 0.03 -0.05 0.00 1.87 0.00 0.00 56.30 58.30 1gh1 h ASN 36 Cb 0.53 -0.06 -0.03 0.00 0.27 0.00 0.00 38.32 39.04 1gh1 h ASN 36 CO -0.48 0.31 0.14 -0.61 -0.37 0.00 0.00 177.43 176.42 1gh1 h GLN 37 N 0.60 0.88 -5.00 6.67 4.15 0.62 -3.36 115.11 119.66 1gh1 h GLN 37 Ca 0.26 -0.18 -0.51 0.00 0.77 0.00 0.00 58.65 58.99 1gh1 h GLN 37 Cb 0.16 -0.13 -0.00 0.00 0.21 0.00 0.00 27.48 27.72 1gh1 h GLN 37 CO -0.17 0.79 1.76 0.00 -1.93 0.00 0.00 178.83 179.28 1gh1 n ALA 38 N -2.46 2.72 0.96 3.38 0.00 0.75 -4.61 120.51 121.24 1gh1 n ALA 38 Ca 0.04 -3.23 0.12 0.00 0.00 0.00 0.00 53.44 50.37 1gh1 n ALA 38 Cb 0.23 -3.56 0.28 0.00 0.00 0.00 0.00 19.45 16.40 1gh1 n ALA 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1gh1 n ARG 39 N 7.64 2.11 -2.91 0.00 1.74 -1.26 -4.76 116.66 119.22 1gh1 n ARG 39 Ca 0.48 -1.64 -0.14 0.00 -0.77 0.00 0.00 57.85 55.77 1gh1 n ARG 39 Cb 0.44 -1.46 -0.01 0.00 -1.02 0.00 0.00 32.46 30.40 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 0.92 2.21 0.02 0.55 3.41 -1.26 -5.04 113.62 114.42 1gh1 n SER 40 Ca 0.17 -1.98 -0.14 0.00 -0.26 0.00 0.00 58.87 56.67 1gh1 n SER 40 Cb 0.49 0.07 -0.14 0.00 -0.26 0.00 0.00 64.21 64.37 1gh1 n SER 40 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 1gh1 h GLN 41 N 0.00 0.14 -0.59 4.33 4.15 -1.99 -3.31 115.11 117.84 1gh1 h GLN 41 Ca -0.18 -0.24 0.00 0.00 0.77 0.00 0.00 58.65 59.00 1gh1 h GLN 41 Cb 0.61 0.09 -0.03 0.00 0.21 0.00 0.00 27.48 28.36 1gh1 h GLN 41 CO 0.29 0.90 0.39 0.66 -1.93 0.00 0.00 178.83 179.14 1gh1 h SER 42 N 0.04 0.69 1.22 -0.69 4.64 -1.98 0.10 113.55 117.57 1gh1 h SER 42 Ca -0.28 -0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.01 1gh1 h SER 42 Cb 2.00 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 63.92 1gh1 h SER 42 CO 0.11 0.51 -0.03 -0.78 -0.87 0.00 0.00 176.83 175.77 1gh1 h ASP 43 N 0.80 0.00 0.40 4.97 1.82 -1.93 0.99 116.42 123.48 1gh1 h ASP 43 Ca 0.22 0.00 -0.31 0.00 -0.39 0.00 0.00 57.03 56.54 1gh1 h ASP 43 Cb -0.08 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 39.91 1gh1 h ASP 43 CO -0.05 0.03 -1.66 0.03 -1.61 0.00 0.00 179.24 175.98 1gh1 h ARG 44 N 0.00 0.19 0.11 0.28 3.08 -1.47 -2.79 114.38 113.78 1gh1 h ARG 44 Ca -0.00 -0.32 -0.24 0.00 0.07 0.00 0.00 59.98 59.48 1gh1 h ARG 44 Cb 0.65 0.12 0.03 0.00 0.08 0.00 0.00 29.97 30.84 1gh1 h ARG 44 CO 0.00 0.99 -1.02 1.96 -1.07 0.00 0.00 179.97 180.84 1gh1 h GLN 45 N 0.05 0.49 0.30 0.04 7.50 -0.71 -2.95 115.11 119.83 1gh1 h GLN 45 Ca -0.29 -0.68 -0.01 0.00 0.50 0.00 0.00 58.65 58.17 1gh1 h GLN 45 Cb 2.01 0.23 0.00 0.00 0.05 0.00 0.00 27.48 29.77 1gh1 h GLN 45 CO 0.13 1.29 -0.14 0.77 -1.50 0.00 0.00 178.83 179.38 1gh1 h SER 46 N 0.01 -0.34 -0.97 1.46 0.02 -0.94 -2.80 113.55 110.00 1gh1 h SER 46 Ca -0.16 -0.11 0.12 0.00 -0.84 0.00 0.00 61.79 60.80 1gh1 h SER 46 Cb 1.74 0.09 -0.08 0.00 0.14 0.00 0.00 62.40 64.29 1gh1 h SER 46 CO 0.19 -0.09 0.60 0.00 -1.14 0.00 0.00 176.83 176.39 1gh1 h ALA 47 N 0.07 1.45 -0.27 3.77 0.00 -1.63 -1.40 119.26 121.25 1gh1 h ALA 47 Ca -0.04 0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.96 1gh1 h ALA 47 Cb 0.42 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 17.95 1gh1 h ALA 47 CO 0.07 0.20 -0.17 0.00 0.00 0.00 0.00 179.25 179.34 1gh1 h ASN 49 N -0.15 0.47 -0.32 0.00 2.35 -1.01 0.12 115.58 117.04 1gh1 h ASN 49 Ca 0.15 0.04 0.01 0.00 -0.55 0.00 0.00 56.30 55.96 1gh1 h ASN 49 Cb 0.37 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.68 1gh1 h ASN 49 CO -0.36 0.20 0.18 0.00 -1.65 0.00 0.00 177.43 175.80 1gh1 h LEU 51 N 0.38 -0.00 -0.18 0.00 4.07 -1.06 -2.65 115.31 115.87 1gh1 h LEU 51 Ca 0.13 -0.82 0.04 0.00 0.08 0.00 0.00 57.88 57.31 1gh1 h LEU 51 Cb 0.01 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 41.70 1gh1 h LEU 51 CO -0.06 0.82 -0.09 0.50 -1.08 0.00 0.00 178.44 178.53 1gh1 h LYS 52 N -0.83 -0.07 -0.70 1.13 3.64 -0.79 0.12 116.57 119.07 1gh1 h LYS 52 Ca -0.00 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.42 1gh1 h LYS 52 Cb 0.82 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.61 1gh1 h LYS 52 CO 0.00 -0.05 0.43 0.78 -2.27 0.00 0.00 179.45 178.34 1gh1 h GLY 53 N -0.07 1.01 0.47 5.01 0.00 0.09 -1.17 103.07 108.41 1gh1 h GLY 53 Ca 0.10 -0.32 -0.02 0.00 0.00 0.00 0.00 47.33 47.08 1gh1 h GLY 53 CO -0.22 0.26 -0.23 -2.22 0.00 0.00 0.00 176.54 174.13 1gh1 h ILE 54 N 0.83 0.00 -0.98 2.60 2.04 -1.00 -3.18 117.51 117.83 1gh1 h ILE 54 Ca 0.29 -0.20 0.33 0.00 1.00 0.00 0.00 64.86 66.27 1gh1 h ILE 54 Cb 0.05 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 35.97 1gh1 h ILE 54 CO -0.12 0.00 0.48 0.00 0.00 0.00 0.00 178.15 178.51 1gh1 h ALA 55 N -1.50 1.85 -0.28 1.87 0.00 -0.74 0.32 119.26 120.77 1gh1 h ALA 55 Ca -0.06 0.22 0.08 0.00 0.00 0.00 0.00 54.91 55.15 1gh1 h ALA 55 Cb 0.49 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1gh1 h ALA 55 CO 0.11 -0.64 0.30 -0.09 0.00 0.00 0.00 179.25 178.93 1gh1 h ARG 56 N 0.22 0.00 -0.66 0.00 9.65 -1.19 -0.38 114.38 122.01 1gh1 h ARG 56 Ca 0.72 0.00 -0.23 0.00 -1.10 0.00 0.00 59.98 59.37 1gh1 h ARG 56 Cb 1.68 0.00 -0.14 0.00 -1.39 0.00 0.00 29.97 30.13 1gh1 h ARG 56 CO -0.67 0.00 0.24 0.41 2.80 0.00 0.00 179.97 182.75 1gh1 n GLY 57 N -1.45 4.01 0.11 2.80 0.00 0.11 -4.39 105.19 106.38 1gh1 n GLY 57 Ca 0.04 -1.05 -0.02 0.00 0.00 0.00 0.00 46.02 44.99 1gh1 n GLY 57 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1gh1 n ILE 58 N -0.48 0.15 0.00 -0.61 5.41 -0.16 -5.02 119.36 118.65 1gh1 n ILE 58 Ca 0.40 -0.06 0.00 0.00 1.00 0.00 0.00 62.75 64.10 1gh1 n ILE 58 Cb 1.32 -0.69 0.00 0.00 -0.71 0.00 0.00 39.64 39.56 1gh1 n ILE 58 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 176.55 178.12 1gh1 n HIS 59 N -2.64 0.00 -2.88 1.39 -0.00 -1.20 -4.66 115.22 105.23 1gh1 n HIS 59 Ca -0.05 0.00 -0.44 0.00 -0.00 0.00 0.00 57.72 57.23 1gh1 n HIS 59 Cb 0.55 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 30.53 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 0.00 6.90 0.46 0.26 2.47 -1.26 -4.98 114.94 118.79 1gh1 s ASN 60 Ca 0.00 -2.61 0.07 0.00 0.42 0.00 0.00 52.86 50.74 1gh1 s ASN 60 Cb 0.00 -2.43 -0.00 0.00 -1.45 0.00 0.00 41.25 37.37 1gh1 s ASN 60 CO 0.00 -0.92 0.37 -0.76 -3.72 0.00 0.00 177.10 172.08 1gh1 s LEU 61 N 2.35 3.11 -0.25 3.21 1.43 -1.26 -5.02 118.68 122.24 1gh1 s LEU 61 Ca 0.42 -0.96 0.03 0.00 -1.03 0.00 0.00 54.13 52.58 1gh1 s LEU 61 Cb -0.02 -1.66 0.06 0.00 0.03 0.00 0.00 46.19 44.59 1gh1 s LEU 61 CO -0.02 -0.81 -0.11 0.21 0.23 0.00 0.00 176.35 175.85 1gh1 s ASN 62 N -4.16 4.35 0.17 2.29 3.84 -1.17 -4.98 114.94 115.27 1gh1 s ASN 62 Ca 0.43 -1.35 -0.01 0.00 0.21 0.00 0.00 52.86 52.13 1gh1 s ASN 62 Cb -0.02 -1.52 0.03 0.00 -0.55 0.00 0.00 41.25 39.19 1gh1 s ASN 62 CO 0.25 -0.19 1.41 -0.33 -2.79 0.00 0.00 177.10 175.45 1gh1 h GLU 63 N 7.79 0.38 -0.50 0.43 4.39 -1.91 -2.67 114.58 122.49 1gh1 h GLU 63 Ca -0.20 -0.34 0.09 0.00 0.34 0.00 0.00 59.36 59.25 1gh1 h GLU 63 Cb 1.05 0.08 -0.07 0.00 -0.10 0.00 0.00 28.75 29.70 1gh1 h GLU 63 CO 0.46 0.99 0.08 0.22 -1.16 0.00 0.00 179.01 179.60 1gh1 h ASP 64 N 0.25 -0.04 -0.04 1.42 3.58 -1.95 -0.41 116.42 119.23 1gh1 h ASP 64 Ca -0.04 0.10 -0.09 0.00 0.42 0.00 0.00 57.03 57.41 1gh1 h ASP 64 Cb 1.37 0.14 0.01 0.00 1.72 0.00 0.00 39.33 42.57 1gh1 h ASP 64 CO 0.13 0.01 -0.34 0.78 -2.88 0.00 0.00 179.24 176.94 1gh1 h ASN 65 N 0.21 0.38 -0.77 2.28 2.35 -1.87 -2.30 115.58 115.85 1gh1 h ASN 65 Ca 0.25 -0.69 0.18 0.00 -0.55 0.00 0.00 56.30 55.49 1gh1 h ASN 65 Cb 0.35 -0.11 -0.12 0.00 0.05 0.00 0.00 38.32 38.49 1gh1 h ASN 65 CO -0.35 1.01 0.17 0.00 -1.65 0.00 0.00 177.43 176.62 1gh1 h ALA 66 N 0.38 1.01 0.00 -0.83 0.00 -1.08 0.47 119.26 119.21 1gh1 h ALA 66 Ca -0.03 0.19 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1gh1 h ALA 66 Cb 1.02 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 1gh1 h ALA 66 CO 0.07 -0.37 -0.19 -0.09 0.00 0.00 0.00 179.25 178.67 1gh1 h ARG 67 N 0.24 0.00 -0.00 0.00 9.65 -1.13 -3.17 114.38 119.97 1gh1 h ARG 67 Ca 0.45 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.33 1gh1 h ARG 67 Cb 0.80 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.38 1gh1 h ARG 67 CO -0.56 0.19 -0.05 0.43 2.80 0.00 0.00 179.97 182.78 1gh1 n SER 68 N -3.19 0.31 0.14 -3.80 7.64 0.16 -4.05 113.62 110.82 1gh1 n SER 68 Ca 0.02 -0.58 -0.07 0.00 1.01 0.00 0.00 58.87 59.25 1gh1 n SER 68 Cb 0.54 -0.11 -0.03 0.00 -1.01 0.00 0.00 64.21 63.59 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 0.40 0.03 -0.80 0.44 2.04 -1.31 -3.27 117.51 115.03 1gh1 h ILE 69 Ca 0.00 -0.68 0.03 0.00 1.00 0.00 0.00 64.86 65.21 1gh1 h ILE 69 Cb 0.28 0.04 -0.05 0.00 -0.74 0.00 0.00 36.82 36.35 1gh1 h ILE 69 CO 0.00 0.01 0.51 1.55 0.00 0.00 0.00 178.15 180.22 1gh1 h PRO 70 N -1.12 0.97 0.73 2.37 0.13 -1.78 -2.51 132.00 130.79 1gh1 h PRO 70 Ca -0.05 -0.06 -0.04 0.00 -0.87 0.00 0.00 66.00 64.99 1gh1 h PRO 70 Cb 0.35 -0.22 0.01 0.00 0.13 0.00 0.00 31.00 31.27 1gh1 h PRO 70 CO 0.08 0.64 -0.35 -1.00 -0.23 0.00 0.00 178.00 177.14 1gh1 h PRO 71 N 1.00 -0.94 -0.52 1.56 0.13 -1.73 0.17 132.00 131.67 1gh1 h PRO 71 Ca 0.32 0.06 0.10 0.00 -0.87 0.00 0.00 66.00 65.62 1gh1 h PRO 71 Cb 0.02 0.21 -0.03 0.00 0.13 0.00 0.00 31.00 31.33 1gh1 h PRO 71 CO -0.12 -0.61 0.36 1.57 -0.23 0.00 0.00 178.00 178.97 1gh1 h LYS 72 N -1.03 0.27 0.01 0.86 5.09 -1.60 -2.54 116.57 117.63 1gh1 h LYS 72 Ca -0.10 -0.02 -0.00 0.00 0.09 0.00 0.00 60.65 60.62 1gh1 h LYS 72 Cb 0.76 -0.06 0.00 0.00 0.10 0.00 0.00 32.23 33.03 1gh1 h LYS 72 CO 0.16 0.18 -0.00 0.00 -2.09 0.00 0.00 179.45 177.70 1gh1 n GLY 74 N 1.03 1.07 0.01 0.00 0.00 0.57 -5.01 105.19 102.86 1gh1 n GLY 74 Ca -0.09 -0.07 -0.01 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.34 0.12 -2.99 1.61 0.31 -0.99 -5.07 118.33 110.99 1gh1 n VAL 75 Ca 0.00 -0.05 -0.13 0.00 -0.01 0.00 0.00 64.34 64.15 1gh1 n VAL 75 Cb 0.05 -0.64 0.01 0.00 -0.91 0.00 0.00 33.84 32.35 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 -2.47 -7.50 -4.83 4.52 5.15 -1.22 -4.97 115.26 103.94 1gh1 n ASN 76 Ca -0.04 0.36 -0.33 0.00 -0.60 0.00 0.00 54.58 53.98 1gh1 n ASN 76 Cb 0.54 -4.71 -0.06 0.00 -0.53 0.00 0.00 39.78 35.02 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 -2.70 3.84 0.10 1.20 1.02 -1.26 -4.94 118.68 115.93 1gh1 s LEU 77 Ca 0.25 1.65 0.18 0.00 0.02 0.00 0.00 54.13 56.23 1gh1 s LEU 77 Cb -0.06 -4.53 0.75 0.00 0.02 0.00 0.00 46.19 42.37 1gh1 s LEU 77 CO 0.79 -0.44 1.55 -0.81 0.02 0.00 0.00 176.35 177.47 1gh1 n PRO 78 N -0.95 0.07 -3.71 1.29 -0.04 -1.26 -4.86 135.00 125.55 1gh1 n PRO 78 Ca 0.07 0.32 -0.06 0.00 -0.04 0.00 0.00 63.50 63.79 1gh1 n PRO 78 Cb 0.54 -1.64 -0.02 0.00 -0.04 0.00 0.00 33.50 32.34 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 -3.12 -0.21 0.00 0.54 -0.85 -1.26 -4.94 117.35 107.51 1gh1 s TYR 79 Ca 0.06 -0.09 0.00 0.00 -0.52 0.00 0.00 57.07 56.52 1gh1 s TYR 79 Cb 0.09 0.63 0.00 0.00 0.38 0.00 0.00 41.96 43.06 1gh1 s TYR 79 CO 0.31 -0.87 0.00 -2.37 -1.52 0.00 0.00 175.55 171.10 1gh1 n THR 80 N -0.42 0.00 -2.30 -3.49 5.66 -1.26 -5.05 114.28 107.42 1gh1 n THR 80 Ca -0.07 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.50 1gh1 n THR 80 Cb 0.61 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.39 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 3.95 -3.11 1.09 -0.00 -1.26 -4.48 119.36 115.55 1gh1 n ILE 81 Ca 0.00 -3.94 0.00 0.00 -0.00 0.00 0.00 62.75 58.81 1gh1 n ILE 81 Cb 0.00 -2.46 0.00 0.00 -0.00 0.00 0.00 39.64 37.18 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 5.89 0.00 -2.74 4.38 2.88 -1.26 -4.90 113.62 117.86 1gh1 n SER 82 Ca 0.45 -0.85 -0.04 0.00 -1.33 0.00 0.00 58.87 57.10 1gh1 n SER 82 Cb 0.40 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.91 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 1.75 -0.04 2.46 4.77 -1.26 -4.39 117.00 120.29 1gh1 n LEU 83 Ca 0.00 -3.35 -0.05 0.00 -0.03 0.00 0.00 56.01 52.58 1gh1 n LEU 83 Cb 0.00 0.41 -0.06 0.00 -2.33 0.00 0.00 43.42 41.44 1gh1 n LEU 83 CO 0.00 1.26 -0.79 -3.20 -1.33 0.00 0.00 177.39 173.33 1gh1 n ASN 84 N -0.44 3.05 -4.75 -1.43 4.05 -1.26 -5.03 115.26 109.45 1gh1 n ASN 84 Ca 0.10 -0.02 -0.32 0.00 0.45 0.00 0.00 54.58 54.79 1gh1 n ASN 84 Cb 0.81 0.39 0.09 0.00 1.23 0.00 0.00 39.78 42.30 1gh1 n ASN 84 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 1gh1 s ILE 85 N -2.20 3.05 -0.12 -1.44 1.09 -1.26 -4.98 121.20 115.33 1gh1 s ILE 85 Ca -0.08 0.40 -0.08 0.00 -1.10 0.00 0.00 60.65 59.79 1gh1 s ILE 85 Cb 0.03 -2.84 -0.26 0.00 -1.06 0.00 0.00 42.46 38.33 1gh1 s ILE 85 CO 0.30 -0.39 0.38 0.44 -0.10 0.00 0.00 174.94 175.58 1gh1 h ASP 86 N -0.80 0.41 -1.49 3.58 5.19 -1.96 -3.48 116.42 117.87 1gh1 h ASP 86 Ca -0.45 -0.94 -0.36 0.00 -0.62 0.00 0.00 57.03 54.67 1gh1 h ASP 86 Cb 1.25 -0.13 -0.12 0.00 0.18 0.00 0.00 39.33 40.50 1gh1 h ASP 86 CO 0.51 1.84 -0.34 0.00 -3.12 0.00 0.00 179.24 178.12 1gh1 n SER 88 N -1.13 2.01 -2.80 0.00 2.88 -1.26 -4.67 113.62 108.66 1gh1 n SER 88 Ca -0.18 0.11 -0.15 0.00 -1.33 0.00 0.00 58.87 57.32 1gh1 n SER 88 Cb 0.59 -0.69 0.00 0.00 -0.75 0.00 0.00 64.21 63.36 1gh1 n SER 88 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1gh1 n ARG 89 N -3.61 1.55 0.00 -1.46 0.63 -1.26 -5.07 116.66 107.43 1gh1 n ARG 89 Ca -0.41 -3.57 0.07 0.00 -0.92 0.00 0.00 57.85 53.02 1gh1 n ARG 89 Cb 0.96 -1.58 0.06 0.00 0.45 0.00 0.00 32.46 32.35 1gh1 n ARG 89 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45