#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 7.03 0.43 4.38 1.11 -1.26 -4.77 116.67 123.60 1gh1 s ASP 2 Ca 0.00 1.23 0.30 0.00 0.18 0.00 0.00 52.55 54.26 1gh1 s ASP 2 Cb 0.00 -2.36 1.37 0.00 1.07 0.00 0.00 42.92 43.00 1gh1 s ASP 2 CO 0.00 0.24 1.90 0.00 1.18 0.00 0.00 175.17 178.49 1gh1 h GLY 4 N 1.50 0.81 0.39 0.00 0.00 -1.99 0.19 103.07 103.99 1gh1 h GLY 4 Ca 0.00 -0.25 -0.33 0.00 0.00 0.00 0.00 47.33 46.75 1gh1 h GLY 4 CO 0.00 0.16 -1.82 1.57 0.00 0.00 0.00 176.54 176.45 1gh1 n HIS 5 N -4.48 1.11 0.06 5.60 -0.00 -1.08 -4.13 115.22 112.29 1gh1 n HIS 5 Ca 0.11 0.30 0.05 0.00 -0.00 0.00 0.00 57.72 58.17 1gh1 n HIS 5 Cb 0.30 -1.13 0.47 0.00 -0.00 0.00 0.00 29.99 29.62 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 -0.27 1.09 -0.63 3.57 2.07 -1.40 -2.35 116.25 118.31 1gh1 h VAL 6 Ca -0.42 -0.18 0.09 0.00 0.82 0.00 0.00 66.70 67.01 1gh1 h VAL 6 Cb 1.81 0.64 -0.07 0.00 -1.52 0.00 0.00 31.29 32.14 1gh1 h VAL 6 CO -0.02 0.09 0.27 -0.78 0.02 0.00 0.00 177.57 177.15 1gh1 h ASP 7 N 0.43 0.30 0.69 0.57 3.58 -0.77 0.05 116.42 121.27 1gh1 h ASP 7 Ca 0.11 0.07 -0.07 0.00 0.42 0.00 0.00 57.03 57.57 1gh1 h ASP 7 Cb -0.03 0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 1gh1 h ASP 7 CO -0.02 0.18 -0.32 0.77 -2.88 0.00 0.00 179.24 176.96 1gh1 h SER 8 N 0.47 0.00 0.02 2.28 4.64 -1.61 -0.90 113.55 118.45 1gh1 h SER 8 Ca 0.32 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.42 1gh1 h SER 8 Cb 0.37 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.46 1gh1 h SER 8 CO -0.29 0.32 -0.81 -0.07 -0.87 0.00 0.00 176.83 175.12 1gh1 h LEU 9 N 0.00 0.78 0.00 5.97 3.38 -0.85 -3.22 115.31 121.38 1gh1 h LEU 9 Ca -0.00 -0.53 0.00 0.00 0.09 0.00 0.00 57.88 57.43 1gh1 h LEU 9 Cb 0.75 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1gh1 h LEU 9 CO 0.04 1.32 -0.52 1.33 0.09 0.00 0.00 178.44 180.70 1gh1 n VAL 10 N -3.89 0.10 -0.23 1.22 0.24 -0.36 -4.19 118.33 111.23 1gh1 n VAL 10 Ca -0.07 -0.08 -0.07 0.00 -2.04 0.00 0.00 64.34 62.08 1gh1 n VAL 10 Cb 0.76 0.11 0.04 0.00 -1.47 0.00 0.00 33.84 33.27 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 0.93 -0.26 7.34 9.65 -1.17 -3.04 114.38 127.84 1gh1 h ARG 11 Ca 0.00 -0.16 0.01 0.00 -1.10 0.00 0.00 59.98 58.73 1gh1 h ARG 11 Cb 0.57 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 28.98 1gh1 h ARG 11 CO 0.00 0.78 0.17 -1.00 2.80 0.00 0.00 179.97 182.72 1gh1 h PRO 12 N 0.88 0.32 0.00 0.20 0.13 -1.74 -2.38 132.00 129.40 1gh1 h PRO 12 Ca 0.21 -0.02 -0.06 0.00 -0.87 0.00 0.00 66.00 65.26 1gh1 h PRO 12 Cb 0.18 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 31.23 1gh1 h PRO 12 CO -0.02 0.21 -0.31 0.00 -0.23 0.00 0.00 178.00 177.66 1gh1 h LEU 14 N 0.00 0.21 -1.88 0.00 3.38 -1.44 -2.44 115.31 113.14 1gh1 h LEU 14 Ca -0.00 -0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.04 1gh1 h LEU 14 Cb 0.90 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 1gh1 h LEU 14 CO 0.04 0.24 0.48 0.28 0.09 0.00 0.00 178.44 179.56 1gh1 h SER 15 N 0.24 0.00 0.03 -0.43 0.02 -1.60 -1.46 113.55 110.35 1gh1 h SER 15 Ca 0.06 0.00 -0.38 0.00 -0.84 0.00 0.00 61.79 60.63 1gh1 h SER 15 Cb 0.12 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.61 1gh1 h SER 15 CO -0.00 0.00 -2.21 0.00 -1.14 0.00 0.00 176.83 173.48 1gh1 n TYR 16 N -3.45 0.45 0.00 3.45 9.36 -0.93 -4.26 117.16 121.79 1gh1 n TYR 16 Ca 0.06 0.13 0.21 0.00 3.32 0.00 0.00 57.90 61.62 1gh1 n TYR 16 Cb 0.62 -1.05 0.72 0.00 -0.63 0.00 0.00 39.34 38.99 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 -0.34 0.61 -0.15 2.97 2.07 -1.22 -0.72 116.25 119.47 1gh1 h VAL 17 Ca -0.54 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 1gh1 h VAL 17 Cb 1.79 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 32.24 1gh1 h VAL 17 CO -0.14 0.00 0.06 0.06 0.02 0.00 0.00 177.57 177.57 1gh1 h GLN 18 N 0.00 0.20 0.00 1.57 3.07 -1.51 -2.65 115.11 115.79 1gh1 h GLN 18 Ca 0.26 -0.02 0.00 0.00 0.09 0.00 0.00 58.65 58.98 1gh1 h GLN 18 Cb 1.11 -0.04 0.00 0.00 0.08 0.00 0.00 27.48 28.63 1gh1 h GLN 18 CO -0.00 0.17 0.00 0.41 0.09 0.00 0.00 178.83 179.50 1gh1 n GLY 19 N -1.40 1.35 0.00 0.06 0.00 -0.28 -4.74 105.19 100.18 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 -0.14 4.67 3.76 -0.02 0.00 -1.24 -5.12 105.19 107.11 1gh1 n GLY 20 Ca 0.00 -1.63 -0.40 0.00 0.00 0.00 0.00 46.02 43.99 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 -0.73 4.57 0.00 1.61 0.04 -1.26 -4.70 135.00 134.52 1gh1 s PRO 21 Ca 0.00 1.91 0.00 0.00 0.04 0.00 0.00 61.00 62.95 1gh1 s PRO 21 Cb 0.00 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 31.38 1gh1 s PRO 21 CO 0.00 0.11 0.00 0.41 0.04 0.00 0.00 177.00 177.56 1gh1 n GLY 22 N 1.13 -0.64 0.14 0.56 0.00 -1.26 -4.57 105.19 100.55 1gh1 n GLY 22 Ca -0.01 -1.14 -0.04 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 0.00 -0.26 0.00 1.61 0.13 -1.87 -3.46 132.00 128.16 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 0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.19 1gh1 h PRO 23 CO 0.00 -0.17 0.00 -1.13 -0.23 0.00 0.00 178.00 176.47 1gh1 n SER 24 N -4.86 0.00 0.00 1.44 3.41 -1.26 -4.63 113.62 107.72 1gh1 n SER 24 Ca -0.03 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.68 1gh1 n SER 24 Cb 0.10 0.00 0.52 0.00 -0.26 0.00 0.00 64.21 64.58 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 -0.42 -0.87 0.07 5.00 0.00 -1.26 -2.06 105.19 105.65 1gh1 n GLY 25 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.22 0.66 -0.12 1.61 1.13 -1.26 -4.00 117.38 114.18 1gh1 n GLN 26 Ca 0.11 0.00 -0.05 0.00 -1.94 0.00 0.00 57.00 55.13 1gh1 n GLN 26 Cb 0.14 -1.62 0.03 0.00 0.11 0.00 0.00 30.24 28.90 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 -0.97 0.85 0.11 0.00 1.82 -1.69 0.40 116.42 116.94 1gh1 h ASP 29 Ca -0.03 -0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.60 1gh1 h ASP 29 Cb 0.21 -0.19 0.00 0.00 0.68 0.00 0.00 39.33 40.04 1gh1 h ASP 29 CO 0.05 0.57 -0.05 1.23 -1.61 0.00 0.00 179.24 179.43 1gh1 h GLY 30 N 0.98 -0.15 1.58 -0.78 0.00 1.00 -2.31 103.07 103.38 1gh1 h GLY 30 Ca 0.34 0.06 -0.23 0.00 0.00 0.00 0.00 47.33 47.50 1gh1 h GLY 30 CO -0.11 -0.06 -0.96 -2.08 0.00 0.00 0.00 176.54 173.34 1gh1 h VAL 31 N -0.55 1.42 -0.55 4.60 2.07 -0.94 -2.73 116.25 119.57 1gh1 h VAL 31 Ca -0.01 -2.51 0.05 0.00 0.82 0.00 0.00 66.70 65.04 1gh1 h VAL 31 Cb 0.44 2.47 -0.05 0.00 -1.52 0.00 0.00 31.29 32.63 1gh1 h VAL 31 CO 0.02 0.75 0.27 0.50 0.02 0.00 0.00 177.57 179.13 1gh1 h LYS 32 N 0.20 0.50 0.41 1.57 3.64 -0.27 0.17 116.57 122.79 1gh1 h LYS 32 Ca -0.08 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.25 1gh1 h LYS 32 Cb 1.60 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 33.31 1gh1 h LYS 32 CO 0.16 0.33 -0.23 -0.91 -2.27 0.00 0.00 179.45 176.53 1gh1 h ASN 33 N 0.51 -0.57 -0.15 4.20 2.35 -1.38 0.68 115.58 121.22 1gh1 h ASN 33 Ca 0.25 0.03 0.05 0.00 -0.55 0.00 0.00 56.30 56.08 1gh1 h ASN 33 Cb 0.18 0.16 -0.06 0.00 0.05 0.00 0.00 38.32 38.65 1gh1 h ASN 33 CO -0.18 -0.38 -0.31 0.25 -1.65 0.00 0.00 177.43 175.16 1gh1 h LEU 34 N -0.60 -0.97 0.12 1.61 5.85 -1.10 -0.42 115.31 119.80 1gh1 h LEU 34 Ca -0.05 0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.83 1gh1 h LEU 34 Cb 0.49 0.42 -0.03 0.00 0.37 0.00 0.00 40.66 41.90 1gh1 h LEU 34 CO 0.06 -0.35 -0.25 -0.74 -0.34 0.00 0.00 178.44 176.82 1gh1 h HIS 35 N -0.37 -0.67 -0.94 1.25 2.76 -0.53 -1.46 115.15 115.19 1gh1 h HIS 35 Ca 0.10 0.01 0.20 0.00 -2.20 0.00 0.00 60.37 58.49 1gh1 h HIS 35 Cb 0.53 0.28 -0.08 0.00 1.55 0.00 0.00 27.41 29.70 1gh1 h HIS 35 CO -0.41 -0.35 0.61 -0.97 -1.30 0.00 0.00 177.93 175.51 1gh1 h ASN 36 N -0.46 0.49 -0.49 3.26 -1.24 -0.43 0.12 115.58 116.83 1gh1 h ASN 36 Ca 0.03 0.05 -0.19 0.00 0.71 0.00 0.00 56.30 56.90 1gh1 h ASN 36 Cb 0.48 -0.03 -0.11 0.00 0.73 0.00 0.00 38.32 39.38 1gh1 h ASN 36 CO -0.14 0.19 0.24 1.67 -1.29 0.00 0.00 177.43 178.10 1gh1 n GLN 37 N -4.56 2.29 -2.82 6.67 7.27 -0.21 -4.41 117.38 121.61 1gh1 n GLN 37 Ca 0.20 -1.78 -0.26 0.00 0.07 0.00 0.00 57.00 55.24 1gh1 n GLN 37 Cb 0.68 -1.78 -0.03 0.00 2.41 0.00 0.00 30.24 31.52 1gh1 n GLN 37 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1gh1 n ALA 38 N -0.16 4.61 0.82 1.69 0.00 0.40 -4.75 120.51 123.11 1gh1 n ALA 38 Ca 0.28 -4.49 0.12 0.00 0.00 0.00 0.00 53.44 49.35 1gh1 n ALA 38 Cb 1.05 -0.70 0.17 0.00 0.00 0.00 0.00 19.45 19.97 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 -0.28 0.12 -3.85 0.00 0.63 -1.26 -4.41 116.66 107.61 1gh1 n ARG 39 Ca 0.32 0.02 -0.35 0.00 -0.92 0.00 0.00 57.85 56.92 1gh1 n ARG 39 Cb 0.49 -1.56 -0.05 0.00 0.45 0.00 0.00 32.46 31.78 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 -3.47 6.42 0.32 6.15 0.01 -1.26 -4.98 113.70 116.89 1gh1 s SER 40 Ca 0.08 0.46 0.09 0.00 1.31 0.00 0.00 55.95 57.89 1gh1 s SER 40 Cb 0.16 -2.05 0.89 0.00 0.21 0.00 0.00 66.02 65.23 1gh1 s SER 40 CO 0.73 0.32 1.70 -0.61 0.41 0.00 0.00 173.24 175.80 1gh1 h GLN 41 N 4.34 0.45 0.00 12.44 4.15 -2.01 0.18 115.11 134.66 1gh1 h GLN 41 Ca -0.52 -0.03 -0.17 0.00 0.77 0.00 0.00 58.65 58.70 1gh1 h GLN 41 Cb 1.21 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 28.77 1gh1 h GLN 41 CO 0.64 0.30 -0.82 1.03 -1.93 0.00 0.00 178.83 178.05 1gh1 h SER 42 N 0.47 0.00 0.42 -0.69 0.87 -1.97 -2.83 113.55 109.81 1gh1 h SER 42 Ca 0.64 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 61.05 1gh1 h SER 42 Cb 1.29 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.24 1gh1 h SER 42 CO -0.53 0.82 -0.67 0.44 -0.53 0.00 0.00 176.83 176.37 1gh1 h ASP 43 N 0.00 0.26 0.05 6.23 3.32 -1.05 -1.53 116.42 123.70 1gh1 h ASP 43 Ca -0.01 -0.16 -0.00 0.00 0.02 0.00 0.00 57.03 56.88 1gh1 h ASP 43 Cb 1.53 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 41.00 1gh1 h ASP 43 CO 0.11 0.85 -0.02 -0.09 -1.72 0.00 0.00 179.24 178.36 1gh1 h ARG 44 N 0.15 -0.06 -0.71 3.56 2.43 -1.34 -3.11 114.38 115.31 1gh1 h ARG 44 Ca -0.01 0.00 0.14 0.00 -0.81 0.00 0.00 59.98 59.30 1gh1 h ARG 44 Cb 1.20 0.01 -0.10 0.00 -0.42 0.00 0.00 29.97 30.66 1gh1 h ARG 44 CO 0.10 0.54 0.21 0.37 -1.51 0.00 0.00 179.97 179.68 1gh1 h GLN 45 N -0.92 0.32 0.15 0.20 5.75 -1.54 0.98 115.11 120.04 1gh1 h GLN 45 Ca -0.01 -0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.47 1gh1 h GLN 45 Cb 0.63 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 29.09 1gh1 h GLN 45 CO 0.01 0.21 -0.25 0.77 -2.65 0.00 0.00 178.83 176.92 1gh1 h SER 46 N 0.33 -0.72 -1.01 -0.69 0.02 -1.35 0.16 113.55 110.28 1gh1 h SER 46 Ca 0.39 0.07 0.10 0.00 -0.84 0.00 0.00 61.79 61.50 1gh1 h SER 46 Cb 0.62 0.25 -0.08 0.00 0.14 0.00 0.00 62.40 63.33 1gh1 h SER 46 CO -0.44 -0.30 0.64 0.00 -1.14 0.00 0.00 176.83 175.59 1gh1 h ALA 47 N -1.20 1.47 -0.93 3.77 0.00 -1.39 -0.52 119.26 120.45 1gh1 h ALA 47 Ca -0.02 0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.00 1gh1 h ALA 47 Cb 0.39 -0.25 -0.08 0.00 0.00 0.00 0.00 17.79 17.85 1gh1 h ALA 47 CO -0.09 0.32 0.57 0.00 0.00 0.00 0.00 179.25 180.06 1gh1 h ASN 49 N 0.95 0.00 0.24 0.00 2.35 0.71 -2.73 115.58 117.10 1gh1 h ASN 49 Ca 0.45 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.19 1gh1 h ASN 49 Cb 0.38 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.76 1gh1 h ASN 49 CO -0.24 0.42 -0.12 0.00 -1.65 0.00 0.00 177.43 175.84 1gh1 h LEU 51 N -0.32 1.04 0.64 0.00 4.07 -1.41 -1.91 115.31 117.42 1gh1 h LEU 51 Ca -0.03 -0.02 -0.02 0.00 0.08 0.00 0.00 57.88 57.89 1gh1 h LEU 51 Cb 0.25 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 41.73 1gh1 h LEU 51 CO 0.05 0.73 -0.46 0.50 -1.08 0.00 0.00 178.44 178.18 1gh1 h LYS 52 N 1.22 -1.02 -0.93 1.13 3.64 -1.15 -0.14 116.57 119.32 1gh1 h LYS 52 Ca 0.37 0.07 0.16 0.00 -1.27 0.00 0.00 60.65 59.97 1gh1 h LYS 52 Cb -0.05 0.23 -0.10 0.00 -0.41 0.00 0.00 32.23 31.91 1gh1 h LYS 52 CO -0.11 -0.68 0.53 0.78 -2.27 0.00 0.00 179.45 177.70 1gh1 h GLY 53 N -1.06 1.56 0.43 5.01 0.00 -1.06 -1.52 103.07 106.44 1gh1 h GLY 53 Ca -0.08 -0.32 -0.02 0.00 0.00 0.00 0.00 47.33 46.91 1gh1 h GLY 53 CO 0.03 -0.01 -0.21 -2.22 0.00 0.00 0.00 176.54 174.14 1gh1 h ILE 54 N 0.74 0.00 -1.13 2.60 2.04 -0.95 -3.04 117.51 117.77 1gh1 h ILE 54 Ca 0.51 -0.05 0.32 0.00 1.00 0.00 0.00 64.86 66.64 1gh1 h ILE 54 Cb 0.70 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.68 1gh1 h ILE 54 CO -0.35 0.00 0.74 0.00 0.00 0.00 0.00 178.15 178.54 1gh1 h ALA 55 N -1.68 2.45 0.00 1.87 0.00 -0.78 0.35 119.26 121.47 1gh1 h ALA 55 Ca -0.06 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1gh1 h ALA 55 Cb 0.45 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1gh1 h ALA 55 CO 0.10 -0.91 0.00 -2.13 0.00 0.00 0.00 179.25 176.31 1gh1 n ARG 56 N -4.60 0.02 -1.35 0.00 3.00 -0.59 -2.96 116.66 110.18 1gh1 n ARG 56 Ca 0.28 0.30 -0.01 0.00 -0.00 0.00 0.00 57.85 58.43 1gh1 n ARG 56 Cb 1.06 -1.50 0.11 0.00 0.00 0.00 0.00 32.46 32.13 1gh1 n ARG 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1gh1 n GLY 57 N -0.43 3.93 3.55 5.14 0.00 0.12 -5.03 105.19 112.47 1gh1 n GLY 57 Ca 0.03 -1.42 -0.35 0.00 0.00 0.00 0.00 46.02 44.28 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 -2.72 4.38 0.14 -0.61 -1.09 -1.16 -4.99 121.20 115.16 1gh1 s ILE 58 Ca 0.38 -0.17 -0.08 0.00 -2.23 0.00 0.00 60.65 58.55 1gh1 s ILE 58 Cb 0.38 -2.97 -0.11 0.00 -1.58 0.00 0.00 42.46 38.17 1gh1 s ILE 58 CO -0.07 0.45 1.39 -0.74 -1.23 0.00 0.00 174.94 174.74 1gh1 h HIS 59 N 6.99 0.89 -2.17 3.97 2.76 -1.96 -3.37 115.15 122.26 1gh1 h HIS 59 Ca -0.35 -0.36 -0.58 0.00 -2.20 0.00 0.00 60.37 56.88 1gh1 h HIS 59 Cb 1.18 -0.15 -0.40 0.00 1.55 0.00 0.00 27.41 29.59 1gh1 h HIS 59 CO 0.57 1.16 -0.90 0.27 -1.30 0.00 0.00 177.93 177.73 1gh1 n ASN 60 N -3.93 1.37 -4.76 3.26 6.94 -1.26 -5.11 115.26 111.77 1gh1 n ASN 60 Ca -0.05 -2.92 -0.39 0.00 -0.02 0.00 0.00 54.58 51.20 1gh1 n ASN 60 Cb 0.69 -0.65 -0.04 0.00 -2.36 0.00 0.00 39.78 37.42 1gh1 n ASN 60 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 1gh1 s LEU 61 N -1.45 4.48 -0.38 -4.53 0.20 -1.26 -4.71 118.68 111.03 1gh1 s LEU 61 Ca 0.36 2.18 0.01 0.00 0.69 0.00 0.00 54.13 57.36 1gh1 s LEU 61 Cb 0.13 -3.75 0.11 0.00 -0.43 0.00 0.00 46.19 42.25 1gh1 s LEU 61 CO -0.09 -0.18 0.13 0.21 -0.29 0.00 0.00 176.35 176.12 1gh1 s ASN 62 N -1.07 4.99 0.54 3.68 3.84 -1.00 -4.95 114.94 120.98 1gh1 s ASN 62 Ca 0.47 -2.12 0.21 0.00 0.21 0.00 0.00 52.86 51.63 1gh1 s ASN 62 Cb -0.29 -1.72 1.46 0.00 -0.55 0.00 0.00 41.25 40.14 1gh1 s ASN 62 CO 0.37 -0.45 2.18 1.05 -2.79 0.00 0.00 177.10 177.45 1gh1 h GLU 63 N 7.79 0.00 -0.50 0.43 4.11 -1.93 -0.63 114.58 123.85 1gh1 h GLU 63 Ca -0.08 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.25 1gh1 h GLU 63 Cb 1.03 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.26 1gh1 h GLU 63 CO 0.61 0.01 -0.09 0.22 0.07 0.00 0.00 179.01 179.83 1gh1 h ASP 64 N 0.00 0.94 0.00 3.06 1.82 -1.94 -1.98 116.42 118.32 1gh1 h ASP 64 Ca -0.00 -0.35 -0.00 0.00 -0.39 0.00 0.00 57.03 56.29 1gh1 h ASP 64 Cb 0.03 -0.26 0.00 0.00 0.68 0.00 0.00 39.33 39.78 1gh1 h ASP 64 CO 0.00 1.07 -0.01 0.78 -1.61 0.00 0.00 179.24 179.47 1gh1 h ASN 65 N 0.80 0.01 -1.01 2.28 4.21 -1.70 -2.09 115.58 118.08 1gh1 h ASN 65 Ca 0.13 -0.82 0.23 0.00 1.21 0.00 0.00 56.30 57.05 1gh1 h ASN 65 Cb 0.64 -0.00 -0.11 0.00 -1.12 0.00 0.00 38.32 37.73 1gh1 h ASN 65 CO 0.04 0.83 0.62 0.00 -1.29 0.00 0.00 177.43 177.63 1gh1 h ALA 66 N 0.18 1.90 0.00 -0.83 0.00 -1.16 0.52 119.26 119.87 1gh1 h ALA 66 Ca -0.00 0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 1gh1 h ALA 66 Cb 0.83 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1gh1 h ALA 66 CO 0.00 -0.31 -0.63 -0.09 0.00 0.00 0.00 179.25 178.22 1gh1 h ARG 67 N 0.58 0.00 -0.00 0.00 2.43 -1.40 -3.22 114.38 112.77 1gh1 h ARG 67 Ca 0.60 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.77 1gh1 h ARG 67 Cb 1.20 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 1gh1 h ARG 67 CO -0.38 0.63 -0.08 0.45 -1.51 0.00 0.00 179.97 179.08 1gh1 n SER 68 N -3.39 0.16 0.06 -3.80 2.88 0.17 -4.09 113.62 105.61 1gh1 n SER 68 Ca 0.01 -0.06 -0.09 0.00 -1.33 0.00 0.00 58.87 57.39 1gh1 n SER 68 Cb 0.73 -0.25 -0.06 0.00 -0.75 0.00 0.00 64.21 63.89 1gh1 n SER 68 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 1gh1 h ILE 69 N 0.14 0.57 -0.72 2.46 2.04 -1.35 -3.31 117.51 117.34 1gh1 h ILE 69 Ca 0.00 -1.06 0.06 0.00 1.00 0.00 0.00 64.86 64.86 1gh1 h ILE 69 Cb 0.39 0.98 -0.06 0.00 -0.74 0.00 0.00 36.82 37.40 1gh1 h ILE 69 CO 0.00 0.16 0.42 1.55 0.00 0.00 0.00 178.15 180.27 1gh1 h PRO 70 N -0.96 0.74 0.80 2.37 0.13 -1.77 -2.81 132.00 130.49 1gh1 h PRO 70 Ca -0.03 -0.04 -0.04 0.00 -0.87 0.00 0.00 66.00 65.02 1gh1 h PRO 70 Cb 0.45 -0.17 0.01 0.00 0.13 0.00 0.00 31.00 31.42 1gh1 h PRO 70 CO 0.04 0.49 -0.38 -1.00 -0.23 0.00 0.00 178.00 176.92 1gh1 h PRO 71 N 0.76 -1.04 -0.86 1.56 0.13 -1.73 -2.23 132.00 128.59 1gh1 h PRO 71 Ca 0.32 0.07 0.11 0.00 -0.87 0.00 0.00 66.00 65.63 1gh1 h PRO 71 Cb 0.19 0.24 -0.06 0.00 0.13 0.00 0.00 31.00 31.49 1gh1 h PRO 71 CO -0.18 -0.68 0.56 1.57 -0.23 0.00 0.00 178.00 179.04 1gh1 h LYS 72 N -1.17 0.76 0.80 0.86 2.10 -1.64 -2.87 116.57 115.40 1gh1 h LYS 72 Ca -0.11 -0.05 -0.04 0.00 -2.00 0.00 0.00 60.65 58.46 1gh1 h LYS 72 Cb 0.84 -0.17 0.01 0.00 -0.90 0.00 0.00 32.23 32.00 1gh1 h LYS 72 CO 0.18 0.50 -0.38 0.00 -2.00 0.00 0.00 179.45 177.75 1gh1 n GLY 74 N -1.50 1.47 0.03 0.00 0.00 -0.85 -4.99 105.19 99.35 1gh1 n GLY 74 Ca -0.15 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.70 0.35 -3.09 1.61 0.24 -1.24 -5.09 118.33 110.41 1gh1 n VAL 75 Ca 0.00 -0.26 -0.19 0.00 -2.04 0.00 0.00 64.34 61.85 1gh1 n VAL 75 Cb 0.00 -0.54 0.02 0.00 -1.47 0.00 0.00 33.84 31.85 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 -2.13 -7.09 -4.72 -1.34 5.15 -1.21 -4.94 115.26 98.99 1gh1 n ASN 76 Ca -0.09 0.29 -0.33 0.00 -0.60 0.00 0.00 54.58 53.86 1gh1 n ASN 76 Cb 0.59 -4.06 0.11 0.00 -0.53 0.00 0.00 39.78 35.89 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 -2.55 3.15 0.00 1.20 1.02 -1.26 -4.90 118.68 115.34 1gh1 s LEU 77 Ca 0.30 2.22 0.22 0.00 0.02 0.00 0.00 54.13 56.89 1gh1 s LEU 77 Cb -0.06 -4.57 0.98 0.00 0.02 0.00 0.00 46.19 42.56 1gh1 s LEU 77 CO 0.81 -2.44 1.67 -0.81 0.02 0.00 0.00 176.35 175.60 1gh1 n PRO 78 N -3.24 1.49 -3.64 1.29 -0.05 -1.26 -4.85 135.00 124.74 1gh1 n PRO 78 Ca 0.12 -0.73 -0.04 0.00 -0.05 0.00 0.00 63.50 62.80 1gh1 n PRO 78 Cb 0.51 -1.39 -0.07 0.00 -0.05 0.00 0.00 33.50 32.50 1gh1 n PRO 78 CO 0.00 0.00 0.00 1.52 -0.05 0.00 0.00 175.50 176.97 1gh1 s TYR 79 N -1.89 -0.40 0.43 0.54 -0.85 -1.26 -4.72 117.35 109.19 1gh1 s TYR 79 Ca 0.33 0.87 0.04 0.00 -0.52 0.00 0.00 57.07 57.80 1gh1 s TYR 79 Cb 0.17 0.33 -0.05 0.00 0.38 0.00 0.00 41.96 42.79 1gh1 s TYR 79 CO 0.27 -0.20 0.03 -0.08 -1.52 0.00 0.00 175.55 174.05 1gh1 s THR 80 N 0.80 1.44 -0.88 -3.49 -1.32 -1.26 -5.03 115.64 105.90 1gh1 s THR 80 Ca -0.03 -2.00 -0.08 0.00 -1.21 0.00 0.00 61.69 58.37 1gh1 s THR 80 Cb -0.04 -2.63 -0.15 0.00 -1.51 0.00 0.00 72.50 68.18 1gh1 s THR 80 CO -0.12 0.00 3.00 2.30 -2.21 0.00 0.00 174.62 177.59 1gh1 n ILE 81 N -1.01 3.42 -2.18 5.08 -5.35 -1.26 -4.20 119.36 113.87 1gh1 n ILE 81 Ca -0.09 -1.94 0.04 0.00 -0.27 0.00 0.00 62.75 60.49 1gh1 n ILE 81 Cb 0.67 -2.29 0.09 0.00 -1.74 0.00 0.00 39.64 36.37 1gh1 n ILE 81 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1gh1 n SER 82 N 3.25 1.38 -3.02 7.28 7.64 -1.26 -4.67 113.62 124.22 1gh1 n SER 82 Ca 0.58 -2.73 -0.16 0.00 1.01 0.00 0.00 58.87 57.57 1gh1 n SER 82 Cb 0.46 -0.39 -0.03 0.00 -1.01 0.00 0.00 64.21 63.24 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 -0.16 -0.31 -0.32 -3.43 4.77 -1.26 -4.72 117.00 111.56 1gh1 n LEU 83 Ca 0.12 -0.24 0.08 0.00 -0.03 0.00 0.00 56.01 55.94 1gh1 n LEU 83 Cb 0.97 -1.06 0.17 0.00 -2.33 0.00 0.00 43.42 41.17 1gh1 n LEU 83 CO -0.02 0.04 0.55 -3.20 -1.33 0.00 0.00 177.39 173.42 1gh1 n ASN 84 N -1.55 2.39 -3.77 -1.43 4.05 -1.26 -5.03 115.26 108.66 1gh1 n ASN 84 Ca 0.05 -3.28 -0.11 0.00 0.45 0.00 0.00 54.58 51.68 1gh1 n ASN 84 Cb 0.40 -0.47 -0.07 0.00 1.23 0.00 0.00 39.78 40.86 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 -2.97 0.10 0.00 -1.44 -5.25 -1.26 -4.99 121.20 105.39 1gh1 s ILE 85 Ca 0.35 -0.79 0.00 0.00 -0.99 0.00 0.00 60.65 59.22 1gh1 s ILE 85 Cb 0.31 -1.02 0.00 0.00 2.95 0.00 0.00 42.46 44.70 1gh1 s ILE 85 CO 0.01 -0.43 0.00 -0.67 -1.79 0.00 0.00 174.94 172.06 1gh1 n ASP 86 N 0.41 4.10 0.00 4.36 2.03 -1.26 -5.03 116.55 121.16 1gh1 n ASP 86 Ca -0.18 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.13 1gh1 n ASP 86 Cb 0.60 0.82 0.00 0.00 -0.72 0.00 0.00 41.12 41.82 1gh1 n ASP 86 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1gh1 n SER 88 N 1.57 0.00 -2.57 0.00 2.88 -1.26 -4.96 113.62 109.28 1gh1 n SER 88 Ca 0.00 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.52 1gh1 n SER 88 Cb 0.00 0.00 0.12 0.00 -0.75 0.00 0.00 64.21 63.58 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 0.00 1.23 0.00 -1.46 0.63 -1.22 -5.19 116.66 110.64 1gh1 n ARG 89 Ca 0.00 -1.15 0.08 0.00 -0.92 0.00 0.00 57.85 55.86 1gh1 n ARG 89 Cb 0.00 0.35 0.50 0.00 0.45 0.00 0.00 32.46 33.76 1gh1 n ARG 89 CO 0.00 0.00 0.00 1.55 -2.51 0.00 0.00 177.63 176.67