#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 2.72 -3.47 9.51 5.68 -1.26 -4.94 116.55 124.79 1gh1 n ASP 2 Ca 0.00 -2.70 -0.25 0.00 -0.50 0.00 0.00 54.79 51.35 1gh1 n ASP 2 Cb 0.00 -0.44 -0.00 0.00 -1.14 0.00 0.00 41.12 39.53 1gh1 n ASP 2 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1gh1 h GLY 4 N -1.08 0.03 0.00 0.00 0.00 -1.99 -3.31 103.07 96.72 1gh1 h GLY 4 Ca -0.45 -0.09 -0.10 0.00 0.00 0.00 0.00 47.33 46.69 1gh1 h GLY 4 CO 0.56 0.08 -1.38 1.57 0.00 0.00 0.00 176.54 177.37 1gh1 n HIS 5 N -3.28 0.00 -0.36 5.60 -0.00 -1.26 -4.65 115.22 111.27 1gh1 n HIS 5 Ca -0.06 0.00 0.02 0.00 0.46 0.00 0.00 57.72 58.14 1gh1 n HIS 5 Cb 0.98 -0.26 0.17 0.00 -0.12 0.00 0.00 29.99 30.76 1gh1 n HIS 5 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 1gh1 h VAL 6 N 0.00 1.08 -0.82 3.57 2.07 -1.96 -2.09 116.25 118.09 1gh1 h VAL 6 Ca -0.15 -0.39 0.17 0.00 0.82 0.00 0.00 66.70 67.15 1gh1 h VAL 6 Cb 1.27 -0.16 -0.11 0.00 -1.52 0.00 0.00 31.29 30.78 1gh1 h VAL 6 CO -0.01 0.21 0.35 -0.78 0.02 0.00 0.00 177.57 177.36 1gh1 h ASP 7 N 1.14 0.33 1.93 0.57 3.58 -1.83 0.95 116.42 123.09 1gh1 h ASP 7 Ca 0.42 0.12 0.00 0.00 0.42 0.00 0.00 57.03 58.00 1gh1 h ASP 7 Cb 0.17 0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.32 1gh1 h ASP 7 CO -0.18 0.09 0.00 -1.28 -2.88 0.00 0.00 179.24 174.99 1gh1 h SER 8 N 0.46 0.00 0.49 2.28 0.87 -1.67 -2.50 113.55 113.48 1gh1 h SER 8 Ca 0.47 0.00 -0.30 0.00 -1.23 0.00 0.00 61.79 60.73 1gh1 h SER 8 Cb 0.77 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.75 1gh1 h SER 8 CO -0.44 0.00 -1.33 -0.07 -0.53 0.00 0.00 176.83 174.46 1gh1 h LEU 9 N 0.00 0.59 0.00 2.23 3.38 -0.37 -3.32 115.31 117.83 1gh1 h LEU 9 Ca 0.00 -0.63 -0.06 0.00 0.09 0.00 0.00 57.88 57.29 1gh1 h LEU 9 Cb 0.97 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 1gh1 h LEU 9 CO 0.00 1.49 -0.65 -0.37 0.09 0.00 0.00 178.44 179.00 1gh1 h VAL 10 N 0.11 0.31 -0.34 1.22 -1.51 -1.17 -3.38 116.25 111.49 1gh1 h VAL 10 Ca -0.18 -1.49 0.06 0.00 -1.23 0.00 0.00 66.70 63.87 1gh1 h VAL 10 Cb 2.04 1.98 -0.06 0.00 -2.13 0.00 0.00 31.29 33.12 1gh1 h VAL 10 CO 0.23 0.18 -0.03 -0.09 -1.23 0.00 0.00 177.57 176.62 1gh1 h ARG 11 N 0.00 0.05 0.00 5.19 9.65 -1.54 -2.71 114.38 125.02 1gh1 h ARG 11 Ca -0.03 -0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.84 1gh1 h ARG 11 Cb 1.20 -0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 29.77 1gh1 h ARG 11 CO 0.02 0.03 -0.01 -1.00 2.80 0.00 0.00 179.97 181.82 1gh1 h PRO 12 N 0.05 0.00 0.00 0.20 0.13 -1.73 -2.40 132.00 128.25 1gh1 h PRO 12 Ca 0.16 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.26 1gh1 h PRO 12 Cb 0.24 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.36 1gh1 h PRO 12 CO -0.31 0.01 -0.16 0.00 -0.23 0.00 0.00 178.00 177.32 1gh1 h LEU 14 N 0.00 0.11 -1.95 0.00 4.07 -1.40 -2.58 115.31 113.56 1gh1 h LEU 14 Ca -0.00 -0.02 0.07 0.00 0.08 0.00 0.00 57.88 58.01 1gh1 h LEU 14 Cb 0.93 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 42.63 1gh1 h LEU 14 CO 0.02 0.25 0.41 0.28 -1.08 0.00 0.00 178.44 178.33 1gh1 h SER 15 N 0.12 0.00 0.03 -0.43 0.02 -1.65 -0.89 113.55 110.74 1gh1 h SER 15 Ca 0.03 0.00 -0.37 0.00 -0.84 0.00 0.00 61.79 60.60 1gh1 h SER 15 Cb 0.30 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.79 1gh1 h SER 15 CO 0.02 0.00 -2.11 0.00 -1.14 0.00 0.00 176.83 173.60 1gh1 n TYR 16 N -3.35 0.51 -0.18 3.45 9.36 -0.98 -3.94 117.16 122.03 1gh1 n TYR 16 Ca 0.03 0.16 0.21 0.00 3.32 0.00 0.00 57.90 61.62 1gh1 n TYR 16 Cb 0.53 -1.06 0.59 0.00 -0.63 0.00 0.00 39.34 38.77 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 -0.53 0.68 0.00 2.97 2.07 -1.21 0.43 116.25 120.66 1gh1 h VAL 17 Ca -0.53 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 66.89 1gh1 h VAL 17 Cb 1.70 0.40 -0.00 0.00 -1.52 0.00 0.00 31.29 31.87 1gh1 h VAL 17 CO -0.19 0.05 -0.06 0.06 0.02 0.00 0.00 177.57 177.45 1gh1 h GLN 18 N 0.25 0.00 0.00 1.57 3.07 -1.39 -1.70 115.11 116.92 1gh1 h GLN 18 Ca 0.41 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.15 1gh1 h GLN 18 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.77 1gh1 h GLN 18 CO -0.10 0.06 0.00 0.41 0.09 0.00 0.00 178.83 179.29 1gh1 n GLY 19 N -0.46 1.06 0.00 0.06 0.00 0.14 -4.68 105.19 101.31 1gh1 n GLY 19 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.06 4.76 3.69 -0.02 0.00 -1.25 -5.10 105.19 107.21 1gh1 n GLY 20 Ca 0.00 -1.68 -0.42 0.00 0.00 0.00 0.00 46.02 43.92 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 -0.75 4.27 0.00 1.61 0.04 -1.26 -4.65 135.00 134.27 1gh1 s PRO 21 Ca 0.00 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.05 1gh1 s PRO 21 Cb 0.00 -3.57 0.00 0.00 0.04 0.00 0.00 34.50 30.97 1gh1 s PRO 21 CO 0.00 -0.59 0.00 0.41 0.04 0.00 0.00 177.00 176.86 1gh1 n GLY 22 N 3.68 -0.74 0.15 0.56 0.00 -1.26 -4.62 105.19 102.97 1gh1 n GLY 22 Ca 0.13 -0.87 -0.05 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.32 0.00 1.61 0.13 -1.86 -3.45 132.00 128.11 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 -4.17 0.00 0.00 1.44 3.41 -1.26 -4.60 113.62 108.44 1gh1 n SER 24 Ca -0.04 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.66 1gh1 n SER 24 Cb 0.13 0.00 0.46 0.00 -0.26 0.00 0.00 64.21 64.54 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 -0.40 -0.99 0.01 5.00 0.00 -1.26 -2.10 105.19 105.46 1gh1 n GLY 25 Ca 0.00 -0.08 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 0.41 -0.35 1.61 1.13 -1.26 -4.01 117.38 113.56 1gh1 n GLN 26 Ca 0.08 -0.10 -0.02 0.00 -1.94 0.00 0.00 57.00 55.02 1gh1 n GLN 26 Cb 0.17 -1.54 0.11 0.00 0.11 0.00 0.00 30.24 29.10 1gh1 n GLN 26 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1gh1 h ASP 29 N -1.00 0.16 0.14 0.00 3.58 -1.69 0.40 116.42 118.01 1gh1 h ASP 29 Ca -0.00 0.07 -0.01 0.00 0.42 0.00 0.00 57.03 57.52 1gh1 h ASP 29 Cb 0.04 0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.16 1gh1 h ASP 29 CO -0.00 0.11 -0.07 1.23 -2.88 0.00 0.00 179.24 177.64 1gh1 h GLY 30 N 0.35 -0.19 1.68 -0.78 0.00 0.27 -2.37 103.07 102.04 1gh1 h GLY 30 Ca 0.27 0.07 -0.22 0.00 0.00 0.00 0.00 47.33 47.45 1gh1 h GLY 30 CO -0.28 -0.07 -0.98 -2.08 0.00 0.00 0.00 176.54 173.13 1gh1 h VAL 31 N -0.38 1.47 -0.69 4.60 2.07 -1.21 -2.38 116.25 119.73 1gh1 h VAL 31 Ca -0.02 -2.68 0.06 0.00 0.82 0.00 0.00 66.70 64.88 1gh1 h VAL 31 Cb 0.31 2.56 -0.06 0.00 -1.52 0.00 0.00 31.29 32.58 1gh1 h VAL 31 CO 0.03 0.79 0.39 0.50 0.02 0.00 0.00 177.57 179.30 1gh1 h LYS 32 N 0.14 0.69 -0.12 1.57 3.64 -0.23 -0.16 116.57 122.10 1gh1 h LYS 32 Ca -0.07 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.25 1gh1 h LYS 32 Cb 1.63 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 33.29 1gh1 h LYS 32 CO 0.16 0.46 0.02 -0.91 -2.27 0.00 0.00 179.45 176.91 1gh1 h ASN 33 N 0.72 0.19 -0.03 4.20 2.35 -1.38 -2.63 115.58 118.99 1gh1 h ASN 33 Ca 0.31 -0.26 0.02 0.00 -0.55 0.00 0.00 56.30 55.82 1gh1 h ASN 33 Cb 0.19 -0.05 -0.05 0.00 0.05 0.00 0.00 38.32 38.46 1gh1 h ASN 33 CO -0.18 0.40 -0.44 0.25 -1.65 0.00 0.00 177.43 175.81 1gh1 h LEU 34 N -0.03 -1.36 -0.44 1.61 6.46 -0.76 0.37 115.31 121.17 1gh1 h LEU 34 Ca 0.04 0.15 0.09 0.00 -0.12 0.00 0.00 57.88 58.04 1gh1 h LEU 34 Cb 0.29 0.52 -0.10 0.00 -0.73 0.00 0.00 40.66 40.64 1gh1 h LEU 34 CO 0.00 -0.41 -0.28 -0.74 -0.62 0.00 0.00 178.44 176.39 1gh1 h HIS 35 N -0.52 -0.75 -1.00 1.25 2.76 -1.09 0.19 115.15 115.99 1gh1 h HIS 35 Ca 0.01 0.06 0.09 0.00 -2.20 0.00 0.00 60.37 58.33 1gh1 h HIS 35 Cb 0.57 0.40 -0.08 0.00 1.55 0.00 0.00 27.41 29.85 1gh1 h HIS 35 CO -0.51 -0.35 0.64 -0.97 -1.30 0.00 0.00 177.93 175.44 1gh1 h ASN 36 N -0.19 0.98 -0.09 3.26 -1.24 -1.07 -2.49 115.58 114.72 1gh1 h ASN 36 Ca 0.20 0.03 -0.02 0.00 0.71 0.00 0.00 56.30 57.21 1gh1 h ASN 36 Cb 0.51 -0.17 -0.00 0.00 0.73 0.00 0.00 38.32 39.38 1gh1 h ASN 36 CO -0.55 0.57 -0.03 -0.61 -1.29 0.00 0.00 177.43 175.52 1gh1 h GLN 37 N 1.08 0.19 -4.30 6.67 5.75 0.10 -3.35 115.11 121.24 1gh1 h GLN 37 Ca 0.46 -0.08 -0.68 0.00 -0.15 0.00 0.00 58.65 58.21 1gh1 h GLN 37 Cb 0.34 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.87 1gh1 h GLN 37 CO -0.22 0.53 2.73 0.00 -2.65 0.00 0.00 178.83 179.22 1gh1 n ALA 38 N -2.34 4.54 1.09 3.38 0.00 0.47 -4.59 120.51 123.06 1gh1 n ALA 38 Ca -0.07 -3.65 0.12 0.00 0.00 0.00 0.00 53.44 49.85 1gh1 n ALA 38 Cb 0.25 -3.58 0.30 0.00 0.00 0.00 0.00 19.45 16.42 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 6.60 2.05 -4.26 0.00 0.63 -1.26 -4.70 116.66 115.72 1gh1 n ARG 39 Ca 0.51 -1.55 -0.25 0.00 -0.92 0.00 0.00 57.85 55.64 1gh1 n ARG 39 Cb 0.40 -1.47 -0.08 0.00 0.45 0.00 0.00 32.46 31.77 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 -1.86 4.57 0.22 6.15 0.01 -1.26 -5.01 113.70 116.52 1gh1 s SER 40 Ca 0.34 -0.55 0.20 0.00 1.31 0.00 0.00 55.95 57.25 1gh1 s SER 40 Cb 0.20 -0.88 0.90 0.00 0.21 0.00 0.00 66.02 66.46 1gh1 s SER 40 CO 0.31 0.05 1.62 0.00 0.41 0.00 0.00 173.24 175.62 1gh1 n GLN 41 N -0.49 0.14 0.05 12.44 6.02 -1.26 -1.96 117.38 132.32 1gh1 n GLN 41 Ca -0.08 0.45 -0.01 0.00 -0.01 0.00 0.00 57.00 57.34 1gh1 n GLN 41 Cb 0.57 -1.81 -0.07 0.00 1.02 0.00 0.00 30.24 29.95 1gh1 n GLN 41 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1gh1 h SER 42 N 0.00 0.00 1.73 1.08 0.87 -1.95 -3.17 113.55 112.10 1gh1 h SER 42 Ca 0.00 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.50 1gh1 h SER 42 Cb 0.25 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.20 1gh1 h SER 42 CO 0.00 0.65 -0.27 -0.78 -0.53 0.00 0.00 176.83 175.91 1gh1 h ASP 43 N 0.00 0.00 0.05 6.23 3.58 -1.74 -3.04 116.42 121.50 1gh1 h ASP 43 Ca -0.14 0.00 -0.14 0.00 0.42 0.00 0.00 57.03 57.17 1gh1 h ASP 43 Cb 1.62 0.00 0.01 0.00 1.72 0.00 0.00 39.33 42.69 1gh1 h ASP 43 CO 0.06 0.27 -0.56 0.03 -2.88 0.00 0.00 179.24 176.15 1gh1 h ARG 44 N 0.00 0.28 -0.93 0.28 3.08 -1.63 -1.86 114.38 113.60 1gh1 h ARG 44 Ca -0.00 -0.38 0.03 0.00 0.07 0.00 0.00 59.98 59.70 1gh1 h ARG 44 Cb 1.20 0.13 -0.05 0.00 0.08 0.00 0.00 29.97 31.33 1gh1 h ARG 44 CO 0.03 1.11 0.61 1.96 -1.07 0.00 0.00 179.97 182.62 1gh1 h GLN 45 N -0.37 1.16 0.27 0.04 4.20 -1.61 0.21 115.11 119.02 1gh1 h GLN 45 Ca -0.09 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.54 1gh1 h GLN 45 Cb 1.36 -0.26 0.00 0.00 0.30 0.00 0.00 27.48 28.88 1gh1 h GLN 45 CO 0.11 0.77 -0.13 0.77 -0.67 0.00 0.00 178.83 179.68 1gh1 h SER 46 N 1.20 -0.30 -0.95 1.46 0.02 -1.57 -2.87 113.55 110.53 1gh1 h SER 46 Ca 0.36 -0.21 0.15 0.00 -0.84 0.00 0.00 61.79 61.24 1gh1 h SER 46 Cb -0.04 0.08 -0.08 0.00 0.14 0.00 0.00 62.40 62.50 1gh1 h SER 46 CO -0.10 0.18 0.60 0.00 -1.14 0.00 0.00 176.83 176.37 1gh1 h ALA 47 N -0.53 1.73 -0.18 3.77 0.00 -1.16 -0.96 119.26 121.93 1gh1 h ALA 47 Ca -0.04 0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.95 1gh1 h ALA 47 Cb 0.50 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 1gh1 h ALA 47 CO 0.06 -0.00 -0.11 0.00 0.00 0.00 0.00 179.25 179.19 1gh1 h ASN 49 N -0.10 0.63 0.46 0.00 2.35 -0.94 0.81 115.58 118.78 1gh1 h ASN 49 Ca 0.11 0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.91 1gh1 h ASN 49 Cb 0.26 -0.05 -0.03 0.00 0.05 0.00 0.00 38.32 38.55 1gh1 h ASN 49 CO -0.25 0.26 -0.50 0.00 -1.65 0.00 0.00 177.43 175.29 1gh1 h LEU 51 N -0.97 -0.25 -0.04 0.00 3.38 -1.20 -1.42 115.31 114.80 1gh1 h LEU 51 Ca -0.05 -0.04 0.04 0.00 0.09 0.00 0.00 57.88 57.91 1gh1 h LEU 51 Cb 0.86 0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.63 1gh1 h LEU 51 CO -0.09 -0.12 -0.26 0.11 0.09 0.00 0.00 178.44 178.17 1gh1 h LYS 52 N -0.37 -0.37 -0.83 1.13 1.57 -0.79 0.30 116.57 117.22 1gh1 h LYS 52 Ca -0.03 0.03 0.09 0.00 -1.87 0.00 0.00 60.65 58.86 1gh1 h LYS 52 Cb 0.28 0.08 -0.07 0.00 0.08 0.00 0.00 32.23 32.61 1gh1 h LYS 52 CO 0.05 -0.25 0.48 0.78 -0.57 0.00 0.00 179.45 179.94 1gh1 h GLY 53 N -0.38 1.28 0.48 3.86 0.00 -0.24 -0.82 103.07 107.24 1gh1 h GLY 53 Ca 0.07 -0.32 -0.02 0.00 0.00 0.00 0.00 47.33 47.06 1gh1 h GLY 53 CO -0.25 0.15 -0.23 -2.22 0.00 0.00 0.00 176.54 173.98 1gh1 h ILE 54 N 0.81 0.00 -0.81 2.60 2.04 -0.36 -3.13 117.51 118.66 1gh1 h ILE 54 Ca 0.39 -0.24 0.20 0.00 1.00 0.00 0.00 64.86 66.21 1gh1 h ILE 54 Cb 0.34 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.28 1gh1 h ILE 54 CO -0.24 0.00 0.04 0.00 0.00 0.00 0.00 178.15 177.96 1gh1 h ALA 55 N -1.47 0.92 -0.51 1.87 0.00 -0.31 0.41 119.26 120.17 1gh1 h ALA 55 Ca -0.07 0.25 0.15 0.00 0.00 0.00 0.00 54.91 55.25 1gh1 h ALA 55 Cb 0.49 0.43 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1gh1 h ALA 55 CO 0.11 -0.45 0.39 -0.09 0.00 0.00 0.00 179.25 179.21 1gh1 h ARG 56 N 0.11 0.00 0.00 0.00 2.43 -1.19 0.14 114.38 115.88 1gh1 h ARG 56 Ca 0.46 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.63 1gh1 h ARG 56 Cb 0.86 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.41 1gh1 h ARG 56 CO -0.70 0.00 0.00 0.78 -1.51 0.00 0.00 179.97 178.54 1gh1 h GLY 57 N 0.00 0.00 -1.23 2.80 0.00 -0.12 -3.45 103.07 101.07 1gh1 h GLY 57 Ca 0.24 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 47.08 1gh1 h GLY 57 CO -0.00 0.00 0.34 -0.42 0.00 0.00 0.00 176.54 176.46 1gh1 s ILE 58 N -3.21 3.68 -0.18 2.60 1.01 0.50 -5.03 121.20 120.56 1gh1 s ILE 58 Ca 0.08 0.38 -0.15 0.00 0.00 0.00 0.00 60.65 60.96 1gh1 s ILE 58 Cb 0.08 -3.52 -0.06 0.00 0.01 0.00 0.00 42.46 38.97 1gh1 s ILE 58 CO 0.63 -0.64 -0.27 1.57 0.00 0.00 0.00 174.94 176.23 1gh1 n HIS 59 N -2.85 0.35 -3.35 3.97 -0.00 -1.26 -4.85 115.22 107.22 1gh1 n HIS 59 Ca 0.06 0.15 -0.26 0.00 -0.00 0.00 0.00 57.72 57.67 1gh1 n HIS 59 Cb 0.57 -0.65 -0.09 0.00 -0.00 0.00 0.00 29.99 29.82 1gh1 n HIS 59 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.34 174.63 1gh1 n ASN 60 N -4.49 0.18 -2.70 0.26 2.85 -1.26 -5.12 115.26 104.97 1gh1 n ASN 60 Ca -0.16 -2.59 0.00 0.00 -0.11 0.00 0.00 54.58 51.72 1gh1 n ASN 60 Cb 0.47 -0.60 0.00 0.00 1.24 0.00 0.00 39.78 40.89 1gh1 n ASN 60 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1gh1 n LEU 61 N 2.17 0.00 -4.21 1.20 -0.00 -1.26 -5.04 117.00 109.85 1gh1 n LEU 61 Ca 0.26 0.00 -0.33 0.00 -0.00 0.00 0.00 56.01 55.94 1gh1 n LEU 61 Cb 0.49 0.00 -0.16 0.00 -0.00 0.00 0.00 43.42 43.75 1gh1 n LEU 61 CO 0.14 -0.77 -0.52 0.21 -0.00 0.00 0.00 177.39 176.45 1gh1 s ASN 62 N -1.45 3.31 0.03 1.45 3.84 -0.64 -5.00 114.94 116.48 1gh1 s ASN 62 Ca 0.00 -0.55 -0.01 0.00 0.21 0.00 0.00 52.86 52.51 1gh1 s ASN 62 Cb 0.00 -1.48 -0.27 0.00 -0.55 0.00 0.00 41.25 38.95 1gh1 s ASN 62 CO 0.00 0.10 0.95 -0.08 -2.79 0.00 0.00 177.10 175.28 1gh1 h GLU 63 N 7.20 0.21 -0.62 0.43 4.81 -1.89 -3.05 114.58 121.67 1gh1 h GLU 63 Ca -0.30 -0.35 0.02 0.00 -0.13 0.00 0.00 59.36 58.59 1gh1 h GLU 63 Cb 1.20 0.13 -0.03 0.00 0.63 0.00 0.00 28.75 30.68 1gh1 h GLU 63 CO 0.55 1.08 0.40 0.22 -0.73 0.00 0.00 179.01 180.52 1gh1 h ASP 64 N 0.06 0.67 0.10 1.04 3.58 -1.94 -1.90 116.42 118.02 1gh1 h ASP 64 Ca -0.20 -0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.24 1gh1 h ASP 64 Cb 1.98 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 42.87 1gh1 h ASP 64 CO 0.16 0.48 -0.05 0.78 -2.88 0.00 0.00 179.24 177.73 1gh1 h ASN 65 N 0.80 -0.11 -0.87 2.28 2.35 -1.88 -1.24 115.58 116.91 1gh1 h ASN 65 Ca 0.24 -0.37 0.22 0.00 -0.55 0.00 0.00 56.30 55.84 1gh1 h ASN 65 Cb -0.05 0.03 -0.13 0.00 0.05 0.00 0.00 38.32 38.22 1gh1 h ASN 65 CO -0.07 0.33 0.33 0.00 -1.65 0.00 0.00 177.43 176.37 1gh1 h ALA 66 N 0.26 1.34 0.00 -0.83 0.00 -1.40 0.51 119.26 119.13 1gh1 h ALA 66 Ca -0.01 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1gh1 h ALA 66 Cb 0.47 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1gh1 h ALA 66 CO 0.02 -0.38 -0.04 -0.09 0.00 0.00 0.00 179.25 178.76 1gh1 h ARG 67 N 0.33 0.00 0.00 0.00 2.43 -1.32 -3.22 114.38 112.61 1gh1 h ARG 67 Ca 0.54 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.71 1gh1 h ARG 67 Cb 1.04 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.59 1gh1 h ARG 67 CO -0.56 0.04 0.00 1.03 -1.51 0.00 0.00 179.97 178.97 1gh1 h SER 68 N 0.00 0.00 0.71 -3.80 0.87 0.13 -3.36 113.55 108.10 1gh1 h SER 68 Ca -0.00 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.52 1gh1 h SER 68 Cb 0.99 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.96 1gh1 h SER 68 CO 0.01 0.00 -0.34 0.40 -0.53 0.00 0.00 176.83 176.37 1gh1 h ILE 69 N 0.00 0.00 -0.68 2.23 2.04 -1.36 -3.21 117.51 116.52 1gh1 h ILE 69 Ca 0.00 -0.20 0.07 0.00 1.00 0.00 0.00 64.86 65.73 1gh1 h ILE 69 Cb 0.70 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.72 1gh1 h ILE 69 CO 0.00 0.00 0.36 1.55 0.00 0.00 0.00 178.15 180.06 1gh1 h PRO 70 N -1.15 0.63 0.53 2.37 0.13 -1.79 -2.32 132.00 130.41 1gh1 h PRO 70 Ca -0.10 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 64.97 1gh1 h PRO 70 Cb 0.73 -0.14 0.01 0.00 0.13 0.00 0.00 31.00 31.72 1gh1 h PRO 70 CO 0.16 0.41 -0.26 -1.00 -0.23 0.00 0.00 178.00 177.09 1gh1 h PRO 71 N 0.64 -0.69 -1.00 1.56 0.13 -1.74 -0.04 132.00 130.86 1gh1 h PRO 71 Ca 0.32 0.05 0.04 0.00 -0.87 0.00 0.00 66.00 65.54 1gh1 h PRO 71 Cb 0.26 0.16 -0.06 0.00 0.13 0.00 0.00 31.00 31.49 1gh1 h PRO 71 CO -0.22 -0.41 0.66 1.57 -0.23 0.00 0.00 178.00 179.37 1gh1 h LYS 72 N -0.84 1.22 0.55 0.86 2.10 -1.57 -3.06 116.57 115.83 1gh1 h LYS 72 Ca -0.07 -0.07 -0.03 0.00 -2.00 0.00 0.00 60.65 58.48 1gh1 h LYS 72 Cb 0.60 -0.28 0.01 0.00 -0.90 0.00 0.00 32.23 31.66 1gh1 h LYS 72 CO 0.12 0.81 -0.26 0.00 -2.00 0.00 0.00 179.45 178.12 1gh1 n GLY 74 N -0.58 1.78 0.01 0.00 0.00 -0.04 -5.01 105.19 101.35 1gh1 n GLY 74 Ca -0.11 0.00 0.02 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 -0.81 0.07 -2.96 1.61 0.24 -1.18 -5.08 118.33 110.22 1gh1 n VAL 75 Ca 0.00 -0.14 -0.01 0.00 -2.04 0.00 0.00 64.34 62.15 1gh1 n VAL 75 Cb 0.00 0.12 -0.01 0.00 -1.47 0.00 0.00 33.84 32.48 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 -1.79 -5.82 -4.90 -1.34 5.15 -1.23 -4.97 115.26 100.35 1gh1 n ASN 76 Ca -0.02 0.97 -0.28 0.00 -0.60 0.00 0.00 54.58 54.65 1gh1 n ASN 76 Cb 0.25 -2.83 -0.02 0.00 -0.53 0.00 0.00 39.78 36.65 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 -0.58 3.83 0.00 1.20 1.02 -1.26 -4.96 118.68 117.93 1gh1 s LEU 77 Ca -0.07 0.85 0.30 0.00 0.02 0.00 0.00 54.13 55.23 1gh1 s LEU 77 Cb 0.00 -3.75 1.39 0.00 0.02 0.00 0.00 46.19 43.86 1gh1 s LEU 77 CO 0.27 -0.41 1.97 -2.65 0.02 0.00 0.00 176.35 175.55 1gh1 n PRO 78 N -1.69 0.48 -3.56 1.29 -0.02 -1.26 -4.88 135.00 125.36 1gh1 n PRO 78 Ca -0.00 -0.07 -0.10 0.00 -2.02 0.00 0.00 63.50 61.31 1gh1 n PRO 78 Cb 0.55 -1.50 -0.04 0.00 -0.02 0.00 0.00 33.50 32.49 1gh1 n PRO 78 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 1gh1 s TYR 79 N -2.57 -0.35 0.00 6.00 -0.85 -1.26 -4.99 117.35 113.33 1gh1 s TYR 79 Ca 0.28 0.49 0.00 0.00 -0.52 0.00 0.00 57.07 57.31 1gh1 s TYR 79 Cb 0.20 0.48 0.00 0.00 0.38 0.00 0.00 41.96 43.02 1gh1 s TYR 79 CO 0.48 -0.38 0.00 -2.37 -1.52 0.00 0.00 175.55 171.75 1gh1 n THR 80 N 0.43 0.00 -2.57 -3.49 5.66 -1.26 -5.04 114.28 108.01 1gh1 n THR 80 Ca -0.09 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.48 1gh1 n THR 80 Cb 0.59 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.37 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 3.96 -3.85 1.09 -0.00 -1.26 -4.74 119.36 114.55 1gh1 n ILE 81 Ca 0.00 -4.12 -0.09 0.00 -0.00 0.00 0.00 62.75 58.54 1gh1 n ILE 81 Cb 0.00 -2.37 -0.04 0.00 -0.00 0.00 0.00 39.64 37.23 1gh1 n ILE 81 CO 0.00 0.00 0.00 -0.55 -0.00 0.00 0.00 176.55 176.00 1gh1 s SER 82 N 4.06 -0.19 -0.33 4.38 0.15 -1.26 -4.84 113.70 115.68 1gh1 s SER 82 Ca 0.53 -0.67 0.07 0.00 0.70 0.00 0.00 55.95 56.58 1gh1 s SER 82 Cb 0.04 0.59 0.47 0.00 -1.71 0.00 0.00 66.02 65.41 1gh1 s SER 82 CO 0.07 -1.11 1.38 0.18 1.20 0.00 0.00 173.24 174.95 1gh1 n LEU 83 N -0.36 4.70 -0.00 3.45 4.77 -1.26 -4.57 117.00 123.73 1gh1 n LEU 83 Ca -0.06 -4.29 0.03 0.00 -0.03 0.00 0.00 56.01 51.66 1gh1 n LEU 83 Cb 0.62 -0.53 -0.04 0.00 -2.33 0.00 0.00 43.42 41.13 1gh1 n LEU 83 CO 0.19 1.69 -0.03 -3.20 -1.33 0.00 0.00 177.39 174.70 1gh1 n ASN 84 N -0.92 0.42 -4.84 -1.43 4.05 -1.26 -5.01 115.26 106.27 1gh1 n ASN 84 Ca 0.39 -0.65 -0.32 0.00 0.45 0.00 0.00 54.58 54.45 1gh1 n ASN 84 Cb 0.91 1.01 -0.06 0.00 1.23 0.00 0.00 39.78 42.86 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 -1.70 4.60 -0.12 -1.44 1.09 -1.26 -5.00 121.20 117.37 1gh1 s ILE 85 Ca 0.03 1.08 -0.00 0.00 -1.10 0.00 0.00 60.65 60.65 1gh1 s ILE 85 Cb 0.05 -3.62 -0.24 0.00 -1.06 0.00 0.00 42.46 37.60 1gh1 s ILE 85 CO 0.30 -0.25 0.34 0.47 -0.10 0.00 0.00 174.94 175.70 1gh1 n ASP 86 N -0.52 1.75 -1.79 3.58 9.92 -1.26 -4.96 116.55 123.27 1gh1 n ASP 86 Ca 0.04 0.20 -0.12 0.00 -0.53 0.00 0.00 54.79 54.38 1gh1 n ASP 86 Cb 0.53 -0.55 -0.03 0.00 -0.64 0.00 0.00 41.12 40.43 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 -0.97 1.29 -2.00 0.00 2.88 -1.26 -4.61 113.62 108.95 1gh1 n SER 88 Ca -0.13 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.41 1gh1 n SER 88 Cb 0.49 1.45 0.05 0.00 -0.75 0.00 0.00 64.21 65.44 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 -2.23 1.04 0.00 -1.46 0.63 -1.26 -5.14 116.66 108.24 1gh1 n ARG 89 Ca -0.10 -2.84 0.09 0.00 -0.92 0.00 0.00 57.85 54.08 1gh1 n ARG 89 Cb 0.61 -0.91 0.08 0.00 0.45 0.00 0.00 32.46 32.69 1gh1 n ARG 89 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40