#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 6.94 0.63 4.38 -1.08 -1.26 -4.79 116.67 121.49 1gh1 s ASP 2 Ca 0.00 1.13 0.42 0.00 -0.52 0.00 0.00 52.55 53.57 1gh1 s ASP 2 Cb 0.00 -2.38 2.19 0.00 -1.46 0.00 0.00 42.92 41.28 1gh1 s ASP 2 CO 0.00 -0.01 2.27 0.00 0.52 0.00 0.00 175.17 177.95 1gh1 h GLY 4 N 0.35 0.53 0.52 0.00 0.00 -1.99 0.28 103.07 102.76 1gh1 h GLY 4 Ca 0.00 -0.16 -0.35 0.00 0.00 0.00 0.00 47.33 46.82 1gh1 h GLY 4 CO 0.00 0.11 -1.92 1.57 0.00 0.00 0.00 176.54 176.29 1gh1 n HIS 5 N -4.47 1.20 0.09 5.60 -0.00 -0.81 -4.09 115.22 112.74 1gh1 n HIS 5 Ca 0.08 0.28 0.03 0.00 -0.00 0.00 0.00 57.72 58.11 1gh1 n HIS 5 Cb 0.33 -1.15 0.40 0.00 -0.00 0.00 0.00 29.99 29.57 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 -0.07 1.15 -0.97 3.57 2.07 -1.35 -2.36 116.25 118.29 1gh1 h VAL 6 Ca -0.42 -0.61 0.13 0.00 0.82 0.00 0.00 66.70 66.61 1gh1 h VAL 6 Cb 1.94 1.04 -0.09 0.00 -1.52 0.00 0.00 31.29 32.66 1gh1 h VAL 6 CO 0.04 0.20 0.60 -0.78 0.02 0.00 0.00 177.57 177.65 1gh1 h ASP 7 N 0.30 0.86 1.39 0.57 3.58 -0.60 -0.90 116.42 121.62 1gh1 h ASP 7 Ca 0.07 0.06 -0.10 0.00 0.42 0.00 0.00 57.03 57.47 1gh1 h ASP 7 Cb 0.26 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.19 1gh1 h ASP 7 CO 0.01 0.44 -0.47 -1.28 -2.88 0.00 0.00 179.24 175.06 1gh1 h SER 8 N 0.92 0.00 -0.14 2.28 0.87 -1.60 -1.93 113.55 113.95 1gh1 h SER 8 Ca 0.49 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.89 1gh1 h SER 8 Cb 0.52 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.49 1gh1 h SER 8 CO -0.28 0.47 -0.53 -0.07 -0.53 0.00 0.00 176.83 175.89 1gh1 h LEU 9 N 0.00 0.72 0.00 2.23 3.38 -0.94 -3.20 115.31 117.50 1gh1 h LEU 9 Ca -0.00 -0.61 0.00 0.00 0.09 0.00 0.00 57.88 57.35 1gh1 h LEU 9 Cb 1.30 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1gh1 h LEU 9 CO 0.06 1.21 -0.53 0.58 0.09 0.00 0.00 178.44 179.85 1gh1 h VAL 10 N 0.27 0.00 -0.59 1.22 2.07 -1.44 -3.37 116.25 114.40 1gh1 h VAL 10 Ca -0.03 -0.73 0.12 0.00 0.82 0.00 0.00 66.70 66.88 1gh1 h VAL 10 Cb 1.16 1.43 -0.11 0.00 -1.52 0.00 0.00 31.29 32.25 1gh1 h VAL 10 CO 0.11 0.00 -0.16 -0.09 0.02 0.00 0.00 177.57 177.45 1gh1 h ARG 11 N 0.00 -0.01 -0.17 1.57 9.65 -1.34 0.47 114.38 124.55 1gh1 h ARG 11 Ca 0.00 0.00 0.05 0.00 -1.10 0.00 0.00 59.98 58.93 1gh1 h ARG 11 Cb 0.87 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.44 1gh1 h ARG 11 CO 0.00 -0.01 0.16 -1.00 2.80 0.00 0.00 179.97 181.92 1gh1 h PRO 12 N -0.01 0.00 0.00 0.20 0.13 -1.72 -1.47 132.00 129.12 1gh1 h PRO 12 Ca 0.28 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.34 1gh1 h PRO 12 Cb 0.44 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.56 1gh1 h PRO 12 CO -0.61 0.00 -0.52 0.00 -0.23 0.00 0.00 178.00 176.64 1gh1 h LEU 14 N 0.00 0.00 -2.04 0.00 4.07 -0.90 -2.46 115.31 113.98 1gh1 h LEU 14 Ca -0.02 0.00 0.07 0.00 0.08 0.00 0.00 57.88 58.00 1gh1 h LEU 14 Cb 1.27 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.00 1gh1 h LEU 14 CO 0.04 0.14 0.36 0.77 -1.08 0.00 0.00 178.44 178.67 1gh1 h SER 15 N 0.00 0.00 0.02 -0.43 4.64 -1.61 -0.95 113.55 115.22 1gh1 h SER 15 Ca -0.00 0.00 -0.39 0.00 -0.47 0.00 0.00 61.79 60.92 1gh1 h SER 15 Cb 0.25 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.28 1gh1 h SER 15 CO 0.02 0.00 -2.33 0.00 -0.87 0.00 0.00 176.83 173.65 1gh1 n TYR 16 N -3.43 0.28 0.04 4.77 9.36 -0.94 -4.00 117.16 123.24 1gh1 n TYR 16 Ca 0.03 0.08 0.19 0.00 3.32 0.00 0.00 57.90 61.51 1gh1 n TYR 16 Cb 0.48 -1.03 0.69 0.00 -0.63 0.00 0.00 39.34 38.85 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 -0.33 0.75 0.00 2.97 2.07 -1.18 -0.17 116.25 120.37 1gh1 h VAL 17 Ca -0.57 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 66.93 1gh1 h VAL 17 Cb 1.80 0.77 -0.00 0.00 -1.52 0.00 0.00 31.29 32.34 1gh1 h VAL 17 CO -0.16 0.00 -0.11 0.06 0.02 0.00 0.00 177.57 177.38 1gh1 h GLN 18 N 0.00 0.00 0.00 1.57 3.07 -1.39 -2.50 115.11 115.85 1gh1 h GLN 18 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.96 1gh1 h GLN 18 Cb 0.88 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.44 1gh1 h GLN 18 CO -0.00 0.11 0.00 0.41 0.09 0.00 0.00 178.83 179.44 1gh1 n GLY 19 N -0.55 0.91 0.04 0.06 0.00 -0.08 -4.71 105.19 100.87 1gh1 n GLY 19 Ca -0.01 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 0.00 3.97 3.77 -0.02 0.00 -1.23 -5.09 105.19 106.59 1gh1 n GLY 20 Ca 0.00 -1.65 -0.39 0.00 0.00 0.00 0.00 46.02 43.98 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 -2.02 4.23 0.00 1.61 0.04 -1.26 -4.60 135.00 132.99 1gh1 s PRO 21 Ca 0.01 1.91 0.00 0.00 0.04 0.00 0.00 61.00 62.96 1gh1 s PRO 21 Cb 0.00 -2.85 0.00 0.00 0.04 0.00 0.00 34.50 31.69 1gh1 s PRO 21 CO 0.00 -0.19 0.00 0.41 0.04 0.00 0.00 177.00 177.26 1gh1 n GLY 22 N 0.77 0.09 0.10 0.56 0.00 -1.26 -4.47 105.19 100.97 1gh1 n GLY 22 Ca 0.02 -1.40 -0.03 0.00 0.00 0.00 0.00 46.02 44.61 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 -0.21 0.00 1.61 0.13 -1.87 -3.46 132.00 128.20 1gh1 h PRO 23 Ca 0.00 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1gh1 h PRO 23 Cb 0.00 0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.18 1gh1 h PRO 23 CO 0.00 -0.14 0.00 -1.13 -0.23 0.00 0.00 178.00 176.50 1gh1 n SER 24 N -3.21 0.00 0.00 1.44 3.41 -1.26 -4.66 113.62 109.34 1gh1 n SER 24 Ca -0.03 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.70 1gh1 n SER 24 Cb 0.09 0.00 0.67 0.00 -0.26 0.00 0.00 64.21 64.70 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 -0.24 -0.98 0.05 5.00 0.00 -1.26 -2.38 105.19 105.38 1gh1 n GLY 25 Ca 0.00 -0.13 0.03 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.18 0.66 -0.21 1.61 -0.06 -1.26 -4.09 117.38 112.86 1gh1 n GLN 26 Ca 0.14 -0.09 0.12 0.00 -2.00 0.00 0.00 57.00 55.18 1gh1 n GLN 26 Cb 0.15 -1.56 0.42 0.00 -4.06 0.00 0.00 30.24 25.20 1gh1 n GLN 26 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1gh1 h ASP 29 N -1.00 1.03 0.00 0.00 3.58 -1.69 0.41 116.42 118.74 1gh1 h ASP 29 Ca -0.00 -0.04 -0.00 0.00 0.42 0.00 0.00 57.03 57.41 1gh1 h ASP 29 Cb 0.18 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 40.97 1gh1 h ASP 29 CO -0.00 0.77 -0.00 1.23 -2.88 0.00 0.00 179.24 178.36 1gh1 h GLY 30 N 1.21 -0.00 1.34 -0.78 0.00 0.29 -2.53 103.07 102.60 1gh1 h GLY 30 Ca 0.32 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.37 1gh1 h GLY 30 CO -0.06 -0.00 -1.18 -2.08 0.00 0.00 0.00 176.54 173.22 1gh1 h VAL 31 N -0.28 1.33 -0.77 4.60 2.07 -1.32 -2.90 116.25 118.98 1gh1 h VAL 31 Ca -0.00 -2.52 0.11 0.00 0.82 0.00 0.00 66.70 65.11 1gh1 h VAL 31 Cb 0.28 2.65 -0.08 0.00 -1.52 0.00 0.00 31.29 32.62 1gh1 h VAL 31 CO 0.00 0.76 0.38 0.50 0.02 0.00 0.00 177.57 179.23 1gh1 h LYS 32 N 0.25 0.59 0.69 1.57 3.64 -0.25 0.13 116.57 123.20 1gh1 h LYS 32 Ca -0.16 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.15 1gh1 h LYS 32 Cb 1.85 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 33.54 1gh1 h LYS 32 CO 0.22 0.39 -0.37 -0.91 -2.27 0.00 0.00 179.45 176.51 1gh1 h ASN 33 N 0.61 -0.89 -0.38 4.20 2.35 -1.45 -1.56 115.58 118.47 1gh1 h ASN 33 Ca 0.39 0.04 0.07 0.00 -0.55 0.00 0.00 56.30 56.25 1gh1 h ASN 33 Cb 0.47 0.24 -0.09 0.00 0.05 0.00 0.00 38.32 39.00 1gh1 h ASN 33 CO -0.31 -0.60 -0.39 0.25 -1.65 0.00 0.00 177.43 174.73 1gh1 h LEU 34 N -0.97 -1.29 -0.11 1.61 5.85 -1.11 0.40 115.31 119.69 1gh1 h LEU 34 Ca -0.09 0.20 0.04 0.00 0.84 0.00 0.00 57.88 58.87 1gh1 h LEU 34 Cb 0.76 0.57 -0.06 0.00 0.37 0.00 0.00 40.66 42.30 1gh1 h LEU 34 CO 0.13 -0.36 -0.40 -0.74 -0.34 0.00 0.00 178.44 176.73 1gh1 h HIS 35 N -0.32 -1.13 -0.55 1.25 2.76 -0.70 0.05 115.15 116.50 1gh1 h HIS 35 Ca 0.14 0.04 0.11 0.00 -2.20 0.00 0.00 60.37 58.47 1gh1 h HIS 35 Cb 0.57 0.51 -0.03 0.00 1.55 0.00 0.00 27.41 30.01 1gh1 h HIS 35 CO -0.58 -0.46 0.38 -0.97 -1.30 0.00 0.00 177.93 174.99 1gh1 h ASN 36 N -0.49 0.26 1.02 3.26 -1.24 -0.57 0.49 115.58 118.30 1gh1 h ASN 36 Ca 0.07 0.01 -0.06 0.00 0.71 0.00 0.00 56.30 57.03 1gh1 h ASN 36 Cb 0.62 -0.05 -0.01 0.00 0.73 0.00 0.00 38.32 39.61 1gh1 h ASN 36 CO -0.37 0.15 -0.28 -0.61 -1.29 0.00 0.00 177.43 175.03 1gh1 h GLN 37 N 0.29 0.00 -5.25 6.67 4.15 0.91 -3.37 115.11 118.50 1gh1 h GLN 37 Ca 0.26 0.00 -0.62 0.00 0.77 0.00 0.00 58.65 59.06 1gh1 h GLN 37 Cb 0.63 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.27 1gh1 h GLN 37 CO -0.06 0.28 2.19 0.00 -1.93 0.00 0.00 178.83 179.32 1gh1 n ALA 38 N -2.23 3.61 -0.03 3.38 0.00 0.16 -4.44 120.51 120.96 1gh1 n ALA 38 Ca 0.00 -3.64 -0.01 0.00 0.00 0.00 0.00 53.44 49.79 1gh1 n ALA 38 Cb 0.49 -3.57 -0.14 0.00 0.00 0.00 0.00 19.45 16.23 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 7.75 0.66 -4.07 0.00 0.63 -1.26 -4.75 116.66 115.61 1gh1 n ARG 39 Ca 0.49 0.03 -0.32 0.00 -0.92 0.00 0.00 57.85 57.13 1gh1 n ARG 39 Cb 0.44 -1.63 -0.07 0.00 0.45 0.00 0.00 32.46 31.66 1gh1 n ARG 39 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 1gh1 s SER 40 N -5.37 5.67 0.41 6.15 0.01 -1.26 -4.98 113.70 114.31 1gh1 s SER 40 Ca -0.07 0.10 0.17 0.00 1.31 0.00 0.00 55.95 57.46 1gh1 s SER 40 Cb 0.09 -1.60 1.06 0.00 0.21 0.00 0.00 66.02 65.78 1gh1 s SER 40 CO 0.84 0.23 1.84 -0.61 0.41 0.00 0.00 173.24 175.95 1gh1 h GLN 41 N 3.77 0.42 0.00 12.44 4.15 -1.95 0.22 115.11 134.16 1gh1 h GLN 41 Ca -0.48 -0.03 -0.13 0.00 0.77 0.00 0.00 58.65 58.78 1gh1 h GLN 41 Cb 1.17 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 28.75 1gh1 h GLN 41 CO 0.64 0.28 -0.62 1.03 -1.93 0.00 0.00 178.83 178.23 1gh1 h SER 42 N 0.44 0.00 0.48 -0.69 0.87 -1.94 -2.41 113.55 110.30 1gh1 h SER 42 Ca 0.50 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.90 1gh1 h SER 42 Cb 1.21 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.15 1gh1 h SER 42 CO -0.21 0.62 -0.69 0.44 -0.53 0.00 0.00 176.83 176.46 1gh1 h ASP 43 N 0.00 0.21 0.08 6.23 3.32 -0.96 -2.20 116.42 123.10 1gh1 h ASP 43 Ca -0.01 -0.13 -0.00 0.00 0.02 0.00 0.00 57.03 56.91 1gh1 h ASP 43 Cb 1.17 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.66 1gh1 h ASP 43 CO 0.08 0.83 -0.04 0.03 -1.72 0.00 0.00 179.24 178.42 1gh1 h ARG 44 N 0.12 -0.10 -0.82 3.56 -0.00 -1.36 -3.07 114.38 112.71 1gh1 h ARG 44 Ca -0.02 0.01 0.17 0.00 -0.50 0.00 0.00 59.98 59.64 1gh1 h ARG 44 Cb 1.22 0.02 -0.11 0.00 0.00 0.00 0.00 29.97 31.11 1gh1 h ARG 44 CO 0.10 0.46 0.34 1.96 0.00 0.00 0.00 179.97 182.83 1gh1 h GLN 45 N -0.85 0.42 0.62 0.04 4.20 -1.42 0.12 115.11 118.24 1gh1 h GLN 45 Ca -0.01 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.65 1gh1 h GLN 45 Cb 0.60 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.29 1gh1 h GLN 45 CO 0.02 0.28 -0.39 0.77 -0.67 0.00 0.00 178.83 178.83 1gh1 h SER 46 N 0.43 -1.00 -0.83 1.46 0.02 -1.43 -1.35 113.55 110.84 1gh1 h SER 46 Ca 0.47 0.06 0.04 0.00 -0.84 0.00 0.00 61.79 61.52 1gh1 h SER 46 Cb 0.80 0.29 -0.05 0.00 0.14 0.00 0.00 62.40 63.58 1gh1 h SER 46 CO -0.46 -0.60 0.53 0.00 -1.14 0.00 0.00 176.83 175.16 1gh1 h ALA 47 N -1.31 1.12 -0.90 3.77 0.00 -1.33 -1.15 119.26 119.44 1gh1 h ALA 47 Ca -0.08 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 54.91 1gh1 h ALA 47 Cb 0.77 -0.26 -0.08 0.00 0.00 0.00 0.00 17.79 18.22 1gh1 h ALA 47 CO 0.08 0.33 0.54 0.00 0.00 0.00 0.00 179.25 180.20 1gh1 h ASN 49 N 0.89 1.13 0.02 0.00 2.35 -0.04 -2.15 115.58 117.79 1gh1 h ASN 49 Ca 0.44 -0.03 0.03 0.00 -0.55 0.00 0.00 56.30 56.19 1gh1 h ASN 49 Cb 0.40 -0.28 -0.05 0.00 0.05 0.00 0.00 38.32 38.44 1gh1 h ASN 49 CO -0.25 0.81 -0.33 0.00 -1.65 0.00 0.00 177.43 176.00 1gh1 h LEU 51 N -0.50 0.61 0.63 0.00 4.07 -1.40 -0.56 115.31 118.16 1gh1 h LEU 51 Ca 0.05 -0.03 -0.02 0.00 0.08 0.00 0.00 57.88 57.96 1gh1 h LEU 51 Cb 0.57 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 42.15 1gh1 h LEU 51 CO -0.26 0.45 -0.43 0.50 -1.08 0.00 0.00 178.44 177.63 1gh1 h LYS 52 N 0.71 -0.97 -0.45 1.13 3.11 -0.85 0.78 116.57 120.03 1gh1 h LYS 52 Ca 0.19 0.07 0.08 0.00 -2.81 0.00 0.00 60.65 58.18 1gh1 h LYS 52 Cb -0.07 0.22 -0.07 0.00 -1.00 0.00 0.00 32.23 31.31 1gh1 h LYS 52 CO -0.04 -0.65 0.01 0.78 -2.81 0.00 0.00 179.45 176.74 1gh1 h GLY 53 N -1.01 0.47 0.21 5.01 0.00 -0.45 -1.14 103.07 106.16 1gh1 h GLY 53 Ca -0.08 0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 1gh1 h GLY 53 CO 0.05 -0.11 -0.22 -2.22 0.00 0.00 0.00 176.54 174.04 1gh1 h ILE 54 N 0.12 0.00 -1.07 2.60 2.04 -0.82 -2.55 117.51 117.83 1gh1 h ILE 54 Ca 0.23 0.00 0.29 0.00 1.00 0.00 0.00 64.86 66.38 1gh1 h ILE 54 Cb 0.33 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.33 1gh1 h ILE 54 CO -0.37 0.00 0.72 0.00 0.00 0.00 0.00 178.15 178.50 1gh1 h ALA 55 N -1.39 2.50 -0.10 1.87 0.00 -0.66 0.38 119.26 121.85 1gh1 h ALA 55 Ca -0.03 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1gh1 h ALA 55 Cb 0.37 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1gh1 h ALA 55 CO -0.03 -0.89 -0.21 -0.09 0.00 0.00 0.00 179.25 178.04 1gh1 h ARG 56 N 0.26 0.16 0.00 0.00 2.43 -0.81 -2.86 114.38 113.57 1gh1 h ARG 56 Ca 0.58 -0.04 -0.22 0.00 -0.81 0.00 0.00 59.98 59.49 1gh1 h ARG 56 Cb 1.73 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 31.23 1gh1 h ARG 56 CO -0.21 0.38 -1.33 0.78 -1.51 0.00 0.00 179.97 178.08 1gh1 h GLY 57 N 0.83 0.00 -3.32 2.80 0.00 0.01 -3.46 103.07 99.93 1gh1 h GLY 57 Ca 0.03 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.86 1gh1 h GLY 57 CO 0.03 0.00 0.45 -0.42 0.00 0.00 0.00 176.54 176.61 1gh1 s ILE 58 N -2.75 3.53 -0.21 2.60 1.01 -0.60 -4.97 121.20 119.80 1gh1 s ILE 58 Ca -0.02 1.36 -0.04 0.00 0.00 0.00 0.00 60.65 61.95 1gh1 s ILE 58 Cb 0.09 -3.79 -0.12 0.00 0.01 0.00 0.00 42.46 38.64 1gh1 s ILE 58 CO 0.81 0.19 -0.22 1.57 0.00 0.00 0.00 174.94 177.29 1gh1 n HIS 59 N 0.56 0.00 -2.53 3.97 -0.00 -1.26 -4.63 115.22 111.33 1gh1 n HIS 59 Ca 0.02 0.00 -0.42 0.00 0.46 0.00 0.00 57.72 57.78 1gh1 n HIS 59 Cb 0.47 -0.79 0.01 0.00 -0.12 0.00 0.00 29.99 29.56 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 -3.47 6.15 -4.79 0.26 5.15 -1.26 -4.97 115.26 112.32 1gh1 n ASN 60 Ca -0.39 -3.27 -0.39 0.00 -0.60 0.00 0.00 54.58 49.93 1gh1 n ASN 60 Cb 0.85 -1.37 -0.06 0.00 -0.53 0.00 0.00 39.78 38.68 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 -1.68 4.46 -0.40 1.20 0.20 -1.26 -4.75 118.68 116.46 1gh1 s LEU 61 Ca 0.39 1.15 -0.01 0.00 0.69 0.00 0.00 54.13 56.35 1gh1 s LEU 61 Cb 0.10 -2.85 0.11 0.00 -0.43 0.00 0.00 46.19 43.12 1gh1 s LEU 61 CO 0.01 0.20 0.17 0.21 -0.29 0.00 0.00 176.35 176.66 1gh1 s ASN 62 N -0.65 5.13 0.41 3.68 2.47 -0.94 -4.95 114.94 120.08 1gh1 s ASN 62 Ca 0.29 -2.08 0.10 0.00 0.42 0.00 0.00 52.86 51.58 1gh1 s ASN 62 Cb -0.18 -1.78 0.91 0.00 -1.45 0.00 0.00 41.25 38.75 1gh1 s ASN 62 CO 0.17 -0.50 2.00 1.05 -3.72 0.00 0.00 177.10 176.10 1gh1 h GLU 63 N 7.91 0.51 -0.41 0.43 -0.00 -1.87 -2.34 114.58 118.82 1gh1 h GLU 63 Ca -0.11 -0.03 0.09 0.00 -0.00 0.00 0.00 59.36 59.31 1gh1 h GLU 63 Cb 1.04 -0.12 -0.09 0.00 -0.00 0.00 0.00 28.75 29.59 1gh1 h GLU 63 CO 0.66 0.34 -0.17 0.22 -0.00 0.00 0.00 179.01 180.06 1gh1 h ASP 64 N 0.53 -0.58 -0.09 3.06 3.58 -1.93 -0.02 116.42 120.96 1gh1 h ASP 64 Ca 0.24 0.15 -0.16 0.00 0.42 0.00 0.00 57.03 57.68 1gh1 h ASP 64 Cb 0.28 0.33 0.01 0.00 1.72 0.00 0.00 39.33 41.67 1gh1 h ASP 64 CO -0.07 -0.20 -0.58 0.78 -2.88 0.00 0.00 179.24 176.29 1gh1 h ASN 65 N -0.08 0.67 -0.97 2.28 2.35 -1.75 -2.07 115.58 116.01 1gh1 h ASN 65 Ca 0.20 -0.66 0.23 0.00 -0.55 0.00 0.00 56.30 55.52 1gh1 h ASN 65 Cb 0.39 -0.20 -0.12 0.00 0.05 0.00 0.00 38.32 38.44 1gh1 h ASN 65 CO -0.47 1.23 0.54 0.00 -1.65 0.00 0.00 177.43 177.08 1gh1 h ALA 66 N 0.46 1.68 0.00 -0.83 0.00 -0.90 0.38 119.26 120.05 1gh1 h ALA 66 Ca -0.05 0.13 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 1gh1 h ALA 66 Cb 1.23 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 1gh1 h ALA 66 CO 0.12 -0.26 -0.71 -0.09 0.00 0.00 0.00 179.25 178.31 1gh1 h ARG 67 N 0.55 0.00 0.00 0.00 2.43 -0.99 -3.25 114.38 113.12 1gh1 h ARG 67 Ca 0.61 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.78 1gh1 h ARG 67 Cb 1.14 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.69 1gh1 h ARG 67 CO -0.48 0.71 0.00 1.03 -1.51 0.00 0.00 179.97 179.72 1gh1 h SER 68 N 0.00 0.00 0.56 -3.80 0.87 0.47 -3.34 113.55 108.30 1gh1 h SER 68 Ca -0.01 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.53 1gh1 h SER 68 Cb 1.41 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.38 1gh1 h SER 68 CO 0.09 0.00 -0.27 0.40 -0.53 0.00 0.00 176.83 176.52 1gh1 h ILE 69 N 0.00 0.00 -0.74 2.23 2.04 -1.38 -3.26 117.51 116.41 1gh1 h ILE 69 Ca 0.00 -0.17 0.07 0.00 1.00 0.00 0.00 64.86 65.77 1gh1 h ILE 69 Cb 0.60 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.61 1gh1 h ILE 69 CO 0.00 0.00 0.41 1.55 0.00 0.00 0.00 178.15 180.11 1gh1 h PRO 70 N -0.92 0.71 0.63 2.37 0.13 -1.78 -2.54 132.00 130.59 1gh1 h PRO 70 Ca -0.08 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 64.98 1gh1 h PRO 70 Cb 0.58 -0.16 0.01 0.00 0.13 0.00 0.00 31.00 31.56 1gh1 h PRO 70 CO 0.13 0.47 -0.30 -1.00 -0.23 0.00 0.00 178.00 177.07 1gh1 h PRO 71 N 0.73 -0.81 -0.53 1.56 0.13 -1.72 -0.49 132.00 130.87 1gh1 h PRO 71 Ca 0.34 0.06 0.01 0.00 -0.87 0.00 0.00 66.00 65.54 1gh1 h PRO 71 Cb 0.26 0.18 -0.03 0.00 0.13 0.00 0.00 31.00 31.54 1gh1 h PRO 71 CO -0.21 -0.53 0.35 1.57 -0.23 0.00 0.00 178.00 178.95 1gh1 h LYS 72 N -0.88 0.65 0.34 0.86 2.10 -1.59 -3.05 116.57 115.00 1gh1 h LYS 72 Ca -0.09 -0.04 -0.02 0.00 -2.00 0.00 0.00 60.65 58.51 1gh1 h LYS 72 Cb 0.66 -0.15 0.00 0.00 -0.90 0.00 0.00 32.23 31.84 1gh1 h LYS 72 CO 0.14 0.43 -0.16 0.00 -2.00 0.00 0.00 179.45 177.86 1gh1 n GLY 74 N -0.01 1.39 0.02 0.00 0.00 -0.21 -5.00 105.19 101.39 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 -1.15 0.28 -2.79 1.61 0.24 -1.23 -5.08 118.33 110.21 1gh1 n VAL 75 Ca 0.00 -0.27 -0.02 0.00 -2.04 0.00 0.00 64.34 62.02 1gh1 n VAL 75 Cb 0.00 -0.27 -0.01 0.00 -1.47 0.00 0.00 33.84 32.09 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 -5.66 -4.86 -1.34 5.15 -1.24 -4.98 115.26 100.27 1gh1 n ASN 76 Ca -0.07 1.22 -0.31 0.00 -0.60 0.00 0.00 54.58 54.82 1gh1 n ASN 76 Cb 0.50 -4.44 -0.04 0.00 -0.53 0.00 0.00 39.78 35.27 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 -1.14 3.84 0.03 1.20 1.02 -1.26 -4.95 118.68 117.41 1gh1 s LEU 77 Ca -0.08 1.23 0.23 0.00 0.02 0.00 0.00 54.13 55.53 1gh1 s LEU 77 Cb 0.01 -4.11 0.97 0.00 0.02 0.00 0.00 46.19 43.08 1gh1 s LEU 77 CO 0.61 -0.40 1.74 -0.81 0.02 0.00 0.00 176.35 177.51 1gh1 n PRO 78 N -1.18 0.03 -3.54 1.29 -0.04 -1.26 -4.87 135.00 125.43 1gh1 n PRO 78 Ca 0.03 0.13 -0.10 0.00 -0.04 0.00 0.00 63.50 63.51 1gh1 n PRO 78 Cb 0.54 -1.54 -0.02 0.00 -0.04 0.00 0.00 33.50 32.44 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 -3.02 -0.44 0.00 0.54 -0.85 -1.26 -5.00 117.35 107.32 1gh1 s TYR 79 Ca 0.11 0.16 0.00 0.00 -0.52 0.00 0.00 57.07 56.82 1gh1 s TYR 79 Cb 0.15 0.60 0.00 0.00 0.38 0.00 0.00 41.96 43.09 1gh1 s TYR 79 CO 0.43 -0.95 0.00 -2.37 -1.52 0.00 0.00 175.55 171.14 1gh1 n THR 80 N -0.40 0.00 -2.38 -3.49 5.66 -1.26 -5.04 114.28 107.37 1gh1 n THR 80 Ca -0.13 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.44 1gh1 n THR 80 Cb 0.63 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.41 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 4.00 -4.11 1.09 2.08 -1.26 -4.63 119.36 116.53 1gh1 n ILE 81 Ca 0.00 -4.05 -0.15 0.00 0.56 0.00 0.00 62.75 59.11 1gh1 n ILE 81 Cb 0.00 -2.45 -0.05 0.00 -0.75 0.00 0.00 39.64 36.39 1gh1 n ILE 81 CO 0.00 0.00 0.00 -0.55 0.56 0.00 0.00 176.55 176.56 1gh1 s SER 82 N 2.73 0.89 -0.45 4.38 0.15 -1.26 -4.81 113.70 115.33 1gh1 s SER 82 Ca 0.46 -1.47 0.04 0.00 0.70 0.00 0.00 55.95 55.68 1gh1 s SER 82 Cb 0.06 0.63 0.44 0.00 -1.71 0.00 0.00 66.02 65.44 1gh1 s SER 82 CO -0.00 -1.24 1.37 0.18 1.20 0.00 0.00 173.24 174.75 1gh1 n LEU 83 N -0.54 5.51 -0.04 3.45 4.32 -1.26 -4.59 117.00 123.84 1gh1 n LEU 83 Ca 0.02 -4.84 -0.03 0.00 -0.02 0.00 0.00 56.01 51.13 1gh1 n LEU 83 Cb 0.62 -0.54 -0.07 0.00 -1.62 0.00 0.00 43.42 41.81 1gh1 n LEU 83 CO 0.30 2.03 -0.76 0.59 -1.22 0.00 0.00 177.39 178.32 1gh1 n ASN 84 N -0.65 2.80 -4.93 -1.43 4.13 -1.26 -5.02 115.26 108.90 1gh1 n ASN 84 Ca 0.46 0.00 -0.25 0.00 1.68 0.00 0.00 54.58 56.47 1gh1 n ASN 84 Cb 0.76 0.84 0.01 0.00 -1.54 0.00 0.00 39.78 39.85 1gh1 n ASN 84 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1gh1 s ILE 85 N -2.29 4.15 -0.08 2.41 1.09 -1.26 -5.02 121.20 120.19 1gh1 s ILE 85 Ca -0.04 -0.15 0.16 0.00 -1.10 0.00 0.00 60.65 59.52 1gh1 s ILE 85 Cb 0.03 -3.58 -0.23 0.00 -1.06 0.00 0.00 42.46 37.62 1gh1 s ILE 85 CO 0.37 -0.52 0.23 0.47 -0.10 0.00 0.00 174.94 175.39 1gh1 n ASP 86 N -2.29 1.10 -1.00 3.58 9.92 -1.26 -4.99 116.55 121.62 1gh1 n ASP 86 Ca 0.02 0.00 -0.11 0.00 -0.53 0.00 0.00 54.79 54.17 1gh1 n ASP 86 Cb 0.57 1.37 -0.05 0.00 -0.64 0.00 0.00 41.12 42.37 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 -0.58 0.43 -0.10 0.00 3.41 -1.26 -4.70 113.62 110.83 1gh1 n SER 88 Ca -0.11 -0.02 -0.16 0.00 -0.26 0.00 0.00 58.87 58.32 1gh1 n SER 88 Cb 0.48 0.68 -0.08 0.00 -0.26 0.00 0.00 64.21 65.03 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 -2.86 0.44 0.00 4.33 0.63 -1.26 -5.06 116.66 112.88 1gh1 n ARG 89 Ca -0.35 0.14 0.04 0.00 -0.92 0.00 0.00 57.85 56.76 1gh1 n ARG 89 Cb 1.12 -1.30 0.23 0.00 0.45 0.00 0.00 32.46 32.96 1gh1 n ARG 89 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45