#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 3.18 -3.59 4.38 9.92 -1.26 -4.81 116.55 124.37 1gh1 n ASP 2 Ca 0.00 1.11 -0.40 0.00 -0.53 0.00 0.00 54.79 54.97 1gh1 n ASP 2 Cb 0.00 -1.59 -0.02 0.00 -0.64 0.00 0.00 41.12 38.87 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 4.11 -0.47 0.12 0.00 0.00 -1.26 -4.33 105.19 103.35 1gh1 n GLY 4 Ca 0.55 -0.18 -0.15 0.00 0.00 0.00 0.00 46.02 46.24 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 -2.81 0.00 0.23 1.61 -0.00 -1.26 -4.32 115.22 108.67 1gh1 n HIS 5 Ca -0.29 0.00 0.08 0.00 -0.00 0.00 0.00 57.72 57.52 1gh1 n HIS 5 Cb 0.91 -0.96 0.63 0.00 -0.00 0.00 0.00 29.99 30.57 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 0.00 1.00 0.35 3.57 2.07 -1.83 -2.70 116.25 118.71 1gh1 h VAL 6 Ca -0.55 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 66.95 1gh1 h VAL 6 Cb 1.97 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 32.67 1gh1 h VAL 6 CO -0.05 0.01 -0.40 -0.78 0.02 0.00 0.00 177.57 176.37 1gh1 h ASP 7 N 0.04 -1.10 0.02 0.57 1.82 -1.75 -0.74 116.42 115.27 1gh1 h ASP 7 Ca 0.02 0.09 -0.00 0.00 -0.39 0.00 0.00 57.03 56.75 1gh1 h ASP 7 Cb 0.04 0.37 -0.00 0.00 0.68 0.00 0.00 39.33 40.42 1gh1 h ASP 7 CO -0.00 -0.51 -0.01 0.77 -1.61 0.00 0.00 179.24 177.88 1gh1 h SER 8 N -0.76 0.00 -0.18 2.28 4.64 -1.76 -0.62 113.55 117.16 1gh1 h SER 8 Ca -0.04 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.15 1gh1 h SER 8 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 1gh1 h SER 8 CO -0.07 0.01 -0.38 -0.07 -0.87 0.00 0.00 176.83 175.44 1gh1 h LEU 9 N 0.00 0.64 -1.87 5.97 3.38 -1.03 -3.16 115.31 119.24 1gh1 h LEU 9 Ca -0.00 -0.56 0.00 0.00 0.09 0.00 0.00 57.88 57.41 1gh1 h LEU 9 Cb 0.02 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.58 1gh1 h LEU 9 CO 0.00 1.08 0.00 1.33 0.09 0.00 0.00 178.44 180.94 1gh1 n VAL 10 N -4.28 0.62 0.08 1.22 0.24 -0.36 -4.16 118.33 111.70 1gh1 n VAL 10 Ca -0.06 -0.66 -0.11 0.00 -2.04 0.00 0.00 64.34 61.47 1gh1 n VAL 10 Cb 0.52 0.42 -0.06 0.00 -1.47 0.00 0.00 33.84 33.26 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 3.10 0.22 0.00 7.34 9.65 -1.08 -3.32 114.38 130.29 1gh1 h ARG 11 Ca 0.00 -0.28 -0.07 0.00 -1.10 0.00 0.00 59.98 58.53 1gh1 h ARG 11 Cb 0.70 0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 29.36 1gh1 h ARG 11 CO 0.00 1.04 -0.32 -1.00 2.80 0.00 0.00 179.97 182.49 1gh1 h PRO 12 N 0.10 0.00 -0.00 0.20 0.13 -1.74 -2.94 132.00 127.75 1gh1 h PRO 12 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 1gh1 h PRO 12 Cb 1.65 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.78 1gh1 h PRO 12 CO 0.15 0.32 -0.21 0.00 -0.23 0.00 0.00 178.00 178.03 1gh1 h LEU 14 N 0.03 0.16 -1.81 0.00 3.38 -1.65 -2.65 115.31 112.78 1gh1 h LEU 14 Ca 0.00 -0.03 0.18 0.00 0.09 0.00 0.00 57.88 58.11 1gh1 h LEU 14 Cb 0.49 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 1gh1 h LEU 14 CO 0.00 0.35 0.49 -1.28 0.09 0.00 0.00 178.44 178.09 1gh1 h SER 15 N 0.16 0.17 0.09 -0.43 0.87 -1.74 -1.64 113.55 111.04 1gh1 h SER 15 Ca 0.03 0.01 -0.28 0.00 -1.23 0.00 0.00 61.79 60.33 1gh1 h SER 15 Cb 0.40 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.33 1gh1 h SER 15 CO 0.03 0.08 -1.46 0.22 -0.53 0.00 0.00 176.83 175.17 1gh1 h TYR 16 N 0.18 0.35 -0.78 2.24 3.20 -1.67 -2.97 116.97 117.51 1gh1 h TYR 16 Ca 0.34 -0.25 0.14 0.00 3.14 0.00 0.00 58.73 62.10 1gh1 h TYR 16 Cb 1.09 -0.01 -0.05 0.00 1.54 0.00 0.00 36.73 39.30 1gh1 h TYR 16 CO -0.00 1.57 0.52 0.28 -1.64 0.00 0.00 178.16 178.89 1gh1 h VAL 17 N -0.40 0.83 0.00 1.81 2.07 -1.29 0.58 116.25 119.84 1gh1 h VAL 17 Ca -0.33 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.01 1gh1 h VAL 17 Cb 1.70 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 31.74 1gh1 h VAL 17 CO 0.01 0.09 -0.02 0.06 0.02 0.00 0.00 177.57 177.73 1gh1 h GLN 18 N 0.51 0.00 0.00 1.57 3.07 -1.46 0.08 115.11 118.88 1gh1 h GLN 18 Ca 0.38 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.12 1gh1 h GLN 18 Cb 0.75 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.31 1gh1 h GLN 18 CO -0.14 0.02 0.00 0.41 0.09 0.00 0.00 178.83 179.22 1gh1 n GLY 19 N -0.03 0.92 1.49 0.06 0.00 0.19 -4.53 105.19 103.30 1gh1 n GLY 19 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 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 3.66 3.77 -0.02 0.00 -1.12 -5.05 105.19 106.42 1gh1 n GLY 20 Ca 0.00 -1.93 -0.39 0.00 0.00 0.00 0.00 46.02 43.69 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 -2.67 4.19 0.00 1.61 0.04 -1.26 -4.44 135.00 132.46 1gh1 s PRO 21 Ca 0.12 1.93 0.00 0.00 0.04 0.00 0.00 61.00 63.09 1gh1 s PRO 21 Cb 0.01 -2.83 0.00 0.00 0.04 0.00 0.00 34.50 31.71 1gh1 s PRO 21 CO 0.08 -0.23 0.00 0.41 0.04 0.00 0.00 177.00 177.30 1gh1 n GLY 22 N 0.75 0.15 0.08 0.56 0.00 -1.26 -4.37 105.19 101.10 1gh1 n GLY 22 Ca 0.03 -1.42 -0.03 0.00 0.00 0.00 0.00 46.02 44.60 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 -0.19 0.00 1.61 0.13 -1.88 -3.47 132.00 128.21 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 0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.17 1gh1 h PRO 23 CO 0.00 -0.12 0.00 -1.13 -0.23 0.00 0.00 178.00 176.52 1gh1 n SER 24 N -2.89 0.00 0.00 1.44 3.41 -1.26 -4.72 113.62 109.59 1gh1 n SER 24 Ca -0.02 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.68 1gh1 n SER 24 Cb 0.08 0.00 0.47 0.00 -0.26 0.00 0.00 64.21 64.49 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 -0.39 -0.89 0.09 5.00 0.00 -1.26 -2.24 105.19 105.50 1gh1 n GLY 25 Ca 0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.28 0.63 0.27 1.61 6.02 -1.26 -4.33 117.38 119.04 1gh1 n GLN 26 Ca 0.09 0.17 -0.16 0.00 -0.01 0.00 0.00 57.00 57.08 1gh1 n GLN 26 Cb 0.15 -1.76 -0.08 0.00 1.02 0.00 0.00 30.24 29.57 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 -2.75 1.93 -0.01 0.00 2.03 -0.74 -2.84 116.55 114.17 1gh1 n ASP 29 Ca -0.02 0.35 -0.10 0.00 0.52 0.00 0.00 54.79 55.54 1gh1 n ASP 29 Cb 0.23 -0.90 0.05 0.00 -0.72 0.00 0.00 41.12 39.78 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 -0.54 0.67 0.69 0.27 0.00 -0.15 -2.32 103.07 101.69 1gh1 h GLY 30 Ca -0.44 -0.76 -0.18 0.00 0.00 0.00 0.00 47.33 45.95 1gh1 h GLY 30 CO -0.20 0.68 -0.79 -2.08 0.00 0.00 0.00 176.54 174.15 1gh1 h VAL 31 N 0.48 1.51 -0.56 4.60 2.07 -0.26 -2.80 116.25 121.29 1gh1 h VAL 31 Ca 0.02 -2.50 0.02 0.00 0.82 0.00 0.00 66.70 65.06 1gh1 h VAL 31 Cb 1.06 3.16 -0.04 0.00 -1.52 0.00 0.00 31.29 33.95 1gh1 h VAL 31 CO 0.10 0.71 0.34 0.50 0.02 0.00 0.00 177.57 179.24 1gh1 h LYS 32 N -0.35 0.66 0.31 1.57 3.64 -1.59 -0.20 116.57 120.61 1gh1 h LYS 32 Ca -0.14 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.20 1gh1 h LYS 32 Cb 1.61 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 33.25 1gh1 h LYS 32 CO 0.15 0.44 -0.45 -0.91 -2.27 0.00 0.00 179.45 176.40 1gh1 h ASN 33 N 0.68 -1.29 -0.40 4.20 2.35 -1.48 0.56 115.58 120.20 1gh1 h ASN 33 Ca 0.22 0.12 0.06 0.00 -0.55 0.00 0.00 56.30 56.15 1gh1 h ASN 33 Cb 0.01 0.45 -0.09 0.00 0.05 0.00 0.00 38.32 38.74 1gh1 h ASN 33 CO -0.09 -0.55 -0.47 0.25 -1.65 0.00 0.00 177.43 174.92 1gh1 h LEU 34 N -0.79 -1.58 -0.59 1.61 5.85 -1.24 0.55 115.31 119.12 1gh1 h LEU 34 Ca -0.04 0.23 0.12 0.00 0.84 0.00 0.00 57.88 59.03 1gh1 h LEU 34 Cb 0.72 0.67 -0.11 0.00 0.37 0.00 0.00 40.66 42.32 1gh1 h LEU 34 CO -0.13 -0.38 -0.11 -0.74 -0.34 0.00 0.00 178.44 176.73 1gh1 h HIS 35 N -0.36 -0.24 -0.00 1.25 2.76 -0.74 0.61 115.15 118.43 1gh1 h HIS 35 Ca 0.12 0.05 -0.13 0.00 -2.20 0.00 0.00 60.37 58.20 1gh1 h HIS 35 Cb 0.59 0.20 -0.02 0.00 1.55 0.00 0.00 27.41 29.73 1gh1 h HIS 35 CO -0.66 -0.23 -0.63 -0.97 -1.30 0.00 0.00 177.93 174.15 1gh1 h ASN 36 N 0.03 0.02 0.01 3.26 -1.24 0.13 -3.12 115.58 114.66 1gh1 h ASN 36 Ca 0.29 -0.01 -0.16 0.00 0.71 0.00 0.00 56.30 57.13 1gh1 h ASN 36 Cb 0.45 -0.01 -0.01 0.00 0.73 0.00 0.00 38.32 39.49 1gh1 h ASN 36 CO -0.58 0.64 -0.54 -0.61 -1.29 0.00 0.00 177.43 175.05 1gh1 h GLN 37 N 0.01 0.57 -5.65 6.67 4.15 0.16 -3.38 115.11 117.64 1gh1 h GLN 37 Ca -0.01 -0.36 -0.46 0.00 0.77 0.00 0.00 58.65 58.60 1gh1 h GLN 37 Cb 1.11 0.04 -0.06 0.00 0.21 0.00 0.00 27.48 28.78 1gh1 h GLN 37 CO 0.08 0.96 1.43 0.00 -1.93 0.00 0.00 178.83 179.38 1gh1 s ALA 38 N -4.02 2.33 -1.06 3.38 0.00 0.05 -4.66 121.76 117.79 1gh1 s ALA 38 Ca -0.07 -2.35 0.24 0.00 0.00 0.00 0.00 51.96 49.77 1gh1 s ALA 38 Cb 0.11 -4.65 0.29 0.00 0.00 0.00 0.00 23.12 18.87 1gh1 s ALA 38 CO 0.84 -4.48 1.26 -2.13 0.00 0.00 0.00 175.76 171.26 1gh1 n ARG 39 N 8.41 0.07 -2.59 0.00 0.63 -1.26 -4.75 116.66 117.16 1gh1 n ARG 39 Ca 0.45 -0.05 -0.13 0.00 -0.92 0.00 0.00 57.85 57.20 1gh1 n ARG 39 Cb 0.47 -1.50 0.01 0.00 0.45 0.00 0.00 32.46 31.89 1gh1 n ARG 39 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1gh1 n SER 40 N -1.42 1.75 0.04 6.15 7.64 -1.26 -5.04 113.62 121.48 1gh1 n SER 40 Ca 0.05 -1.98 -0.05 0.00 1.01 0.00 0.00 58.87 57.90 1gh1 n SER 40 Cb 0.34 -0.07 -0.10 0.00 -1.01 0.00 0.00 64.21 63.36 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 0.00 -0.21 1.43 4.15 -2.00 -3.31 115.11 115.16 1gh1 h GLN 41 Ca -0.18 0.00 -0.21 0.00 0.77 0.00 0.00 58.65 59.03 1gh1 h GLN 41 Cb 0.68 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.38 1gh1 h GLN 41 CO 0.27 0.66 -0.68 1.03 -1.93 0.00 0.00 178.83 178.18 1gh1 h SER 42 N 0.00 0.97 0.52 -0.69 0.87 -1.98 -2.23 113.55 111.01 1gh1 h SER 42 Ca -0.13 -0.59 -0.05 0.00 -1.23 0.00 0.00 61.79 59.80 1gh1 h SER 42 Cb 1.79 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 63.46 1gh1 h SER 42 CO 0.09 1.39 -0.22 -0.78 -0.53 0.00 0.00 176.83 176.78 1gh1 h ASP 43 N 0.60 0.00 0.15 6.23 3.58 -1.93 -1.27 116.42 123.77 1gh1 h ASP 43 Ca -0.02 0.00 -0.28 0.00 0.42 0.00 0.00 57.03 57.14 1gh1 h ASP 43 Cb 1.31 0.00 0.01 0.00 1.72 0.00 0.00 39.33 42.36 1gh1 h ASP 43 CO 0.15 0.22 -1.39 -0.09 -2.88 0.00 0.00 179.24 175.24 1gh1 h ARG 44 N 0.00 0.31 -0.80 0.28 2.43 -1.63 -2.86 114.38 112.12 1gh1 h ARG 44 Ca -0.00 -0.53 -0.03 0.00 -0.81 0.00 0.00 59.98 58.61 1gh1 h ARG 44 Cb 0.54 0.20 -0.04 0.00 -0.42 0.00 0.00 29.97 30.25 1gh1 h ARG 44 CO 0.03 1.25 0.38 0.37 -1.51 0.00 0.00 179.97 180.49 1gh1 h GLN 45 N -0.19 1.14 0.66 0.20 4.15 -1.22 0.46 115.11 120.31 1gh1 h GLN 45 Ca -0.28 -0.16 -0.03 0.00 0.77 0.00 0.00 58.65 58.94 1gh1 h GLN 45 Cb 1.85 -0.21 0.01 0.00 0.21 0.00 0.00 27.48 29.33 1gh1 h GLN 45 CO 0.12 0.88 -0.32 0.77 -1.93 0.00 0.00 178.83 178.35 1gh1 h SER 46 N 1.13 -0.76 -0.98 -0.69 0.02 -1.34 -2.64 113.55 108.29 1gh1 h SER 46 Ca 0.27 -0.01 0.10 0.00 -0.84 0.00 0.00 61.79 61.32 1gh1 h SER 46 Cb 0.11 0.20 -0.08 0.00 0.14 0.00 0.00 62.40 62.77 1gh1 h SER 46 CO -0.03 -0.40 0.62 0.00 -1.14 0.00 0.00 176.83 175.88 1gh1 h ALA 47 N -1.03 1.44 -0.95 3.77 0.00 -1.43 0.07 119.26 121.13 1gh1 h ALA 47 Ca -0.09 0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.91 1gh1 h ALA 47 Cb 0.72 -0.23 -0.07 0.00 0.00 0.00 0.00 17.79 18.21 1gh1 h ALA 47 CO 0.15 0.28 0.61 0.00 0.00 0.00 0.00 179.25 180.29 1gh1 h ASN 49 N 1.04 0.35 0.88 0.00 2.35 -0.60 -0.43 115.58 119.16 1gh1 h ASN 49 Ca 0.42 -0.06 -0.04 0.00 -0.55 0.00 0.00 56.30 56.07 1gh1 h ASN 49 Cb 0.27 -0.09 0.01 0.00 0.05 0.00 0.00 38.32 38.56 1gh1 h ASN 49 CO -0.18 0.44 -0.45 0.00 -1.65 0.00 0.00 177.43 175.60 1gh1 h LEU 51 N -1.21 0.26 0.02 0.00 3.38 -1.43 -1.70 115.31 114.63 1gh1 h LEU 51 Ca -0.12 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.65 1gh1 h LEU 51 Cb 0.94 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.62 1gh1 h LEU 51 CO 0.18 0.39 -0.01 0.50 0.09 0.00 0.00 178.44 179.59 1gh1 h LYS 52 N 0.11 -0.03 -0.59 1.13 3.64 -1.09 -2.05 116.57 117.68 1gh1 h LYS 52 Ca 0.06 0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.55 1gh1 h LYS 52 Cb 0.23 0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 31.97 1gh1 h LYS 52 CO -0.00 0.22 0.10 0.78 -2.27 0.00 0.00 179.45 178.29 1gh1 h GLY 53 N -0.29 0.74 0.20 5.01 0.00 0.52 -0.03 103.07 109.22 1gh1 h GLY 53 Ca -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 1gh1 h GLY 53 CO 0.01 -0.13 -0.11 -2.22 0.00 0.00 0.00 176.54 174.09 1gh1 h ILE 54 N 0.23 0.00 -0.88 2.60 2.04 -1.18 -3.10 117.51 117.22 1gh1 h ILE 54 Ca 0.31 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.38 1gh1 h ILE 54 Cb 0.47 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.39 1gh1 h ILE 54 CO -0.42 0.00 -0.07 0.00 0.00 0.00 0.00 178.15 177.66 1gh1 h ALA 55 N -1.79 0.83 -1.04 1.87 0.00 -1.16 0.32 119.26 118.29 1gh1 h ALA 55 Ca -0.03 0.31 0.28 0.00 0.00 0.00 0.00 54.91 55.47 1gh1 h ALA 55 Cb 0.23 0.57 -0.08 0.00 0.00 0.00 0.00 17.79 18.51 1gh1 h ALA 55 CO 0.04 -0.46 0.70 -0.09 0.00 0.00 0.00 179.25 179.44 1gh1 h ARG 56 N 0.04 0.26 0.00 0.00 1.12 -0.95 0.15 114.38 115.01 1gh1 h ARG 56 Ca 0.48 -0.02 -0.18 0.00 -1.11 0.00 0.00 59.98 59.15 1gh1 h ARG 56 Cb 0.85 -0.06 -0.03 0.00 -0.01 0.00 0.00 29.97 30.73 1gh1 h ARG 56 CO -0.84 0.17 -1.17 0.78 -3.11 0.00 0.00 179.97 175.80 1gh1 h GLY 57 N 0.27 0.00 -2.82 2.80 0.00 -0.32 -3.46 103.07 99.54 1gh1 h GLY 57 Ca 0.56 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 47.41 1gh1 h GLY 57 CO -0.19 0.00 0.39 -0.42 0.00 0.00 0.00 176.54 176.31 1gh1 s ILE 58 N -2.84 3.93 -0.15 2.60 1.01 0.53 -4.98 121.20 121.29 1gh1 s ILE 58 Ca -0.01 1.50 -0.05 0.00 0.00 0.00 0.00 60.65 62.09 1gh1 s ILE 58 Cb 0.08 -3.79 -0.07 0.00 0.01 0.00 0.00 42.46 38.69 1gh1 s ILE 58 CO 0.80 0.04 -0.18 1.57 0.00 0.00 0.00 174.94 177.17 1gh1 n HIS 59 N 0.13 0.00 -2.44 3.97 -0.00 -1.26 -4.73 115.22 110.89 1gh1 n HIS 59 Ca 0.04 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.34 1gh1 n HIS 59 Cb 0.50 -0.54 0.01 0.00 -0.00 0.00 0.00 29.99 29.95 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 -3.47 5.55 -4.81 0.26 5.15 -1.26 -4.97 115.26 111.72 1gh1 n ASN 60 Ca -0.29 -3.18 -0.27 0.00 -0.60 0.00 0.00 54.58 50.25 1gh1 n ASN 60 Cb 0.73 -1.43 -0.05 0.00 -0.53 0.00 0.00 39.78 38.50 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 -0.84 3.86 -0.22 1.20 2.96 -1.26 -4.85 118.68 119.53 1gh1 s LEU 61 Ca 0.39 -0.08 -0.02 0.00 -0.22 0.00 0.00 54.13 54.19 1gh1 s LEU 61 Cb 0.09 -2.47 0.01 0.00 0.50 0.00 0.00 46.19 44.32 1gh1 s LEU 61 CO 0.02 0.08 -0.08 0.21 -1.32 0.00 0.00 176.35 175.25 1gh1 s ASN 62 N -3.03 4.02 0.19 3.68 3.84 0.01 -4.99 114.94 118.66 1gh1 s ASN 62 Ca 0.31 -0.56 -0.00 0.00 0.21 0.00 0.00 52.86 52.82 1gh1 s ASN 62 Cb -0.10 -1.66 0.08 0.00 -0.55 0.00 0.00 41.25 39.02 1gh1 s ASN 62 CO 0.24 -0.04 1.45 -0.33 -2.79 0.00 0.00 177.10 175.63 1gh1 h GLU 63 N 8.05 0.35 -0.55 0.43 3.07 -1.91 -2.85 114.58 121.18 1gh1 h GLU 63 Ca -0.41 -0.29 0.10 0.00 -0.50 0.00 0.00 59.36 58.26 1gh1 h GLU 63 Cb 1.14 0.06 -0.08 0.00 -0.84 0.00 0.00 28.75 29.04 1gh1 h GLU 63 CO 0.61 0.93 0.11 0.22 -1.40 0.00 0.00 179.01 179.48 1gh1 h ASP 64 N 0.24 0.00 0.13 1.42 1.82 -1.94 0.48 116.42 118.57 1gh1 h ASP 64 Ca -0.03 0.10 -0.01 0.00 -0.39 0.00 0.00 57.03 56.71 1gh1 h ASP 64 Cb 1.29 0.14 0.00 0.00 0.68 0.00 0.00 39.33 41.44 1gh1 h ASP 64 CO 0.12 0.02 -0.06 0.78 -1.61 0.00 0.00 179.24 178.49 1gh1 h ASN 65 N 0.25 -0.15 -0.88 2.28 2.35 -1.84 0.14 115.58 117.74 1gh1 h ASN 65 Ca 0.28 -0.39 0.23 0.00 -0.55 0.00 0.00 56.30 55.87 1gh1 h ASN 65 Cb 0.39 0.04 -0.13 0.00 0.05 0.00 0.00 38.32 38.67 1gh1 h ASN 65 CO -0.36 0.37 0.31 0.00 -1.65 0.00 0.00 177.43 176.10 1gh1 h ALA 66 N -0.04 1.34 -0.00 -0.83 0.00 -1.24 0.47 119.26 118.97 1gh1 h ALA 66 Ca -0.02 0.19 -0.16 0.00 0.00 0.00 0.00 54.91 54.92 1gh1 h ALA 66 Cb 0.53 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1gh1 h ALA 66 CO 0.03 -0.41 -0.77 -0.09 0.00 0.00 0.00 179.25 178.01 1gh1 h ARG 67 N 0.30 0.01 -0.01 0.00 2.43 -0.88 -3.16 114.38 113.06 1gh1 h ARG 67 Ca 0.55 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.72 1gh1 h ARG 67 Cb 1.08 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 1gh1 h ARG 67 CO -0.59 0.78 0.00 0.43 -1.51 0.00 0.00 179.97 179.08 1gh1 n SER 68 N -3.62 0.10 -0.05 -3.80 7.64 0.16 -3.98 113.62 110.07 1gh1 n SER 68 Ca -0.01 -1.26 -0.00 0.00 1.01 0.00 0.00 58.87 58.61 1gh1 n SER 68 Cb 0.75 -0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.94 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 0.14 0.00 -0.89 0.44 2.04 -1.31 -3.36 117.51 114.57 1gh1 h ILE 69 Ca 0.00 -0.93 0.03 0.00 1.00 0.00 0.00 64.86 64.96 1gh1 h ILE 69 Cb 0.03 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.06 1gh1 h ILE 69 CO 0.00 0.00 0.58 1.55 0.00 0.00 0.00 178.15 180.28 1gh1 h PRO 70 N -0.93 1.11 0.00 2.37 0.13 -1.76 -1.57 132.00 131.35 1gh1 h PRO 70 Ca -0.00 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 1gh1 h PRO 70 Cb 0.00 -0.25 0.00 0.00 0.13 0.00 0.00 31.00 30.88 1gh1 h PRO 70 CO 0.00 0.74 0.00 -0.35 -0.23 0.00 0.00 178.00 178.16 1gh1 n PRO 71 N -4.51 0.14 -0.08 1.56 -0.04 -1.26 -3.16 135.00 127.67 1gh1 n PRO 71 Ca 0.11 0.48 -0.10 0.00 -0.04 0.00 0.00 63.50 63.95 1gh1 n PRO 71 Cb 0.07 -1.83 -0.08 0.00 -0.04 0.00 0.00 33.50 31.62 1gh1 n PRO 71 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1gh1 n LYS 72 N -2.11 0.65 0.02 0.54 2.85 -1.01 -4.67 118.16 114.44 1gh1 n LYS 72 Ca 0.01 0.07 -0.10 0.00 -1.05 0.00 0.00 58.31 57.24 1gh1 n LYS 72 Cb 0.14 -1.31 -0.04 0.00 -0.65 0.00 0.00 35.03 33.17 1gh1 n LYS 72 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1gh1 n GLY 74 N -1.26 1.28 0.00 0.00 0.00 -1.19 -4.99 105.19 99.03 1gh1 n GLY 74 Ca -0.04 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.58 0.00 -3.38 1.61 0.24 -1.26 -5.08 118.33 109.88 1gh1 n VAL 75 Ca 0.00 -0.17 -0.29 0.00 -2.04 0.00 0.00 64.34 61.84 1gh1 n VAL 75 Cb 0.00 0.53 0.03 0.00 -1.47 0.00 0.00 33.84 32.93 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 -1.54 -6.07 -4.75 -1.34 2.85 -1.24 -4.91 115.26 98.27 1gh1 n ASN 76 Ca -0.00 -0.11 -0.36 0.00 -0.11 0.00 0.00 54.58 54.00 1gh1 n ASN 76 Cb 0.11 -2.65 0.05 0.00 1.24 0.00 0.00 39.78 38.53 1gh1 n ASN 76 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1gh1 s LEU 77 N -2.88 3.60 0.00 1.20 1.02 -1.26 -4.90 118.68 115.45 1gh1 s LEU 77 Ca 0.29 2.41 0.31 0.00 0.02 0.00 0.00 54.13 57.16 1gh1 s LEU 77 Cb -0.04 -4.60 1.65 0.00 0.02 0.00 0.00 46.19 43.22 1gh1 s LEU 77 CO 0.85 -1.75 2.09 -2.65 0.02 0.00 0.00 176.35 174.91 1gh1 n PRO 78 N -1.82 1.14 -3.60 1.29 -0.02 -1.26 -4.86 135.00 125.88 1gh1 n PRO 78 Ca 0.14 -0.25 -0.09 0.00 -2.02 0.00 0.00 63.50 61.27 1gh1 n PRO 78 Cb 0.49 -1.49 -0.05 0.00 -0.02 0.00 0.00 33.50 32.43 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 -2.03 -0.35 0.00 6.00 1.13 -1.26 -4.73 117.35 116.10 1gh1 s TYR 79 Ca 0.44 0.66 0.00 0.00 -1.41 0.00 0.00 57.07 56.76 1gh1 s TYR 79 Cb 0.22 0.44 0.00 0.00 -1.10 0.00 0.00 41.96 41.51 1gh1 s TYR 79 CO 0.37 -0.28 0.00 -2.37 -2.51 0.00 0.00 175.55 170.75 1gh1 n THR 80 N 1.01 0.00 -2.65 -3.49 5.66 -1.26 -5.04 114.28 108.51 1gh1 n THR 80 Ca -0.10 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.47 1gh1 n THR 80 Cb 0.58 0.00 -0.00 0.00 -1.55 0.00 0.00 70.33 69.35 1gh1 n THR 80 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 1gh1 s ILE 81 N -0.53 4.29 0.05 1.09 1.09 -1.26 -4.09 121.20 121.84 1gh1 s ILE 81 Ca 0.00 -2.01 -0.03 0.00 -1.10 0.00 0.00 60.65 57.51 1gh1 s ILE 81 Cb 0.00 -5.14 0.01 0.00 -1.06 0.00 0.00 42.46 36.27 1gh1 s ILE 81 CO 0.00 -1.94 0.13 -1.20 -0.10 0.00 0.00 174.94 171.83 1gh1 n SER 82 N 7.88 -0.31 -1.31 3.58 7.64 -1.26 -4.78 113.62 125.06 1gh1 n SER 82 Ca 0.46 -1.20 0.03 0.00 1.01 0.00 0.00 58.87 59.17 1gh1 n SER 82 Cb 0.46 0.51 0.09 0.00 -1.01 0.00 0.00 64.21 64.25 1gh1 n SER 82 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1gh1 n LEU 83 N 0.00 1.86 -0.94 -3.43 4.77 -1.26 -4.66 117.00 113.34 1gh1 n LEU 83 Ca -0.01 -2.91 0.05 0.00 -0.03 0.00 0.00 56.01 53.12 1gh1 n LEU 83 Cb 0.09 -0.17 0.13 0.00 -2.33 0.00 0.00 43.42 41.14 1gh1 n LEU 83 CO 0.04 0.95 0.25 -3.20 -1.33 0.00 0.00 177.39 174.09 1gh1 n ASN 84 N -0.23 1.42 -3.62 -1.43 4.05 -1.26 -4.93 115.26 109.26 1gh1 n ASN 84 Ca 0.13 -3.13 -0.29 0.00 0.45 0.00 0.00 54.58 51.74 1gh1 n ASN 84 Cb 0.95 -0.44 -0.12 0.00 1.23 0.00 0.00 39.78 41.40 1gh1 n ASN 84 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 177.26 174.48 1gh1 s ILE 85 N -1.94 1.18 -1.01 -1.44 -0.00 -1.26 -5.06 121.20 111.68 1gh1 s ILE 85 Ca 0.36 -2.72 -0.24 0.00 -0.00 0.00 0.00 60.65 58.05 1gh1 s ILE 85 Cb 0.37 -1.81 -0.04 0.00 -0.00 0.00 0.00 42.46 40.98 1gh1 s ILE 85 CO -0.11 -1.01 1.88 -1.81 -0.00 0.00 0.00 174.94 173.89 1gh1 s ASP 86 N 0.10 5.34 0.13 4.36 1.11 -1.26 -4.83 116.67 121.62 1gh1 s ASP 86 Ca 0.23 -1.11 -0.31 0.00 0.18 0.00 0.00 52.55 51.54 1gh1 s ASP 86 Cb -0.14 -2.57 -0.08 0.00 1.07 0.00 0.00 42.92 41.20 1gh1 s ASP 86 CO -0.07 -2.62 1.56 0.00 1.18 0.00 0.00 175.17 175.22 1gh1 n SER 88 N -5.42 0.00 -1.93 0.00 7.64 -1.26 -4.97 113.62 107.68 1gh1 n SER 88 Ca -0.04 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.81 1gh1 n SER 88 Cb 0.36 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.60 1gh1 n SER 88 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1gh1 n ARG 89 N 0.00 0.76 0.00 1.43 3.00 -1.26 -5.19 116.66 115.40 1gh1 n ARG 89 Ca 0.00 -1.31 0.09 0.00 -0.00 0.00 0.00 57.85 56.64 1gh1 n ARG 89 Cb 0.00 0.31 0.56 0.00 0.00 0.00 0.00 32.46 33.33 1gh1 n ARG 89 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.63 179.18