#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gh4 h LEU 2 N 0.00 0.82 -1.35 0.00 6.46 -1.43 0.48 115.31 120.29 1gh4 h LEU 2 Ca 0.00 0.06 0.00 0.00 -0.12 0.00 0.00 57.88 57.82 1gh4 h LEU 2 Cb 0.00 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 39.83 1gh4 h LEU 2 CO 0.00 0.38 0.00 4.11 -0.62 0.00 0.00 178.44 182.31 1gh4 h TRP 3 N 0.85 0.00 0.02 1.25 0.09 -1.97 -0.30 115.95 115.89 1gh4 h TRP 3 Ca 0.51 0.00 -0.29 0.00 0.09 0.00 0.00 58.89 59.21 1gh4 h TRP 3 Cb 0.69 0.00 -0.04 0.00 0.08 0.00 0.00 29.16 29.89 1gh4 h TRP 3 CO -0.00 0.00 -1.64 1.96 0.09 0.00 0.00 178.44 178.85 1gh4 h GLN 4 N 0.00 0.04 -0.31 0.12 4.20 -1.35 -3.01 115.11 114.80 1gh4 h GLN 4 Ca 0.00 -0.06 -0.12 0.00 0.06 0.00 0.00 58.65 58.53 1gh4 h GLN 4 Cb 0.39 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 1gh4 h GLN 4 CO 0.00 0.65 -0.31 0.35 -0.67 0.00 0.00 178.83 178.85 1gh4 h PHE 5 N 0.01 0.76 -0.60 2.96 3.57 -0.61 -1.21 116.94 121.81 1gh4 h PHE 5 Ca -0.26 -0.19 -0.04 0.00 3.53 0.00 0.00 57.97 61.00 1gh4 h PHE 5 Cb 1.99 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 40.53 1gh4 h PHE 5 CO 0.01 0.89 0.20 -0.97 -2.23 0.00 0.00 178.31 176.21 1gh4 h ASN 6 N 0.56 0.86 -0.50 0.41 -0.73 -1.15 -1.87 115.58 113.17 1gh4 h ASN 6 Ca 0.07 -0.20 -0.03 0.00 1.87 0.00 0.00 56.30 58.01 1gh4 h ASN 6 Cb 0.81 -0.22 -0.03 0.00 0.27 0.00 0.00 38.32 39.15 1gh4 h ASN 6 CO 0.07 0.83 0.22 1.23 -0.37 0.00 0.00 177.43 179.40 1gh4 h GLY 7 N 0.85 0.83 0.89 1.57 0.00 -1.30 -2.01 103.07 103.89 1gh4 h GLY 7 Ca 0.20 -0.41 -0.06 0.00 0.00 0.00 0.00 47.33 47.06 1gh4 h GLY 7 CO -0.01 0.39 -0.03 -0.33 0.00 0.00 0.00 176.54 176.56 1gh4 h MET 8 N 0.77 0.55 -0.97 4.80 2.86 -0.77 -1.36 114.93 120.81 1gh4 h MET 8 Ca 0.19 -0.19 0.02 0.00 -2.06 0.00 0.00 59.70 57.65 1gh4 h MET 8 Cb 0.14 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 31.71 1gh4 h MET 8 CO -0.02 0.72 0.64 0.82 1.06 0.00 0.00 176.91 180.13 1gh4 h ILE 9 N 0.33 1.23 -0.71 -1.22 2.04 -1.05 -1.56 117.51 116.57 1gh4 h ILE 9 Ca 0.08 -0.44 -0.07 0.00 1.00 0.00 0.00 64.86 65.43 1gh4 h ILE 9 Cb 0.49 -0.18 -0.03 0.00 -0.74 0.00 0.00 36.82 36.36 1gh4 h ILE 9 CO 0.02 0.24 0.17 0.11 0.00 0.00 0.00 178.15 178.69 1gh4 h LYS 10 N 1.29 1.13 -1.00 2.37 1.79 -1.23 0.64 116.57 121.56 1gh4 h LYS 10 Ca 0.36 -0.27 0.09 0.00 -2.18 0.00 0.00 60.65 58.65 1gh4 h LYS 10 Cb -0.12 -0.15 -0.07 0.00 -1.58 0.00 0.00 32.23 30.31 1gh4 h LYS 10 CO -0.09 1.00 0.64 0.00 -1.08 0.00 0.00 179.45 179.92 1gh4 h LYS 12 N 1.10 0.15 -2.76 0.00 1.79 -1.03 -3.39 116.57 112.44 1gh4 h LYS 12 Ca 0.45 -0.25 -0.61 0.00 -2.18 0.00 0.00 60.65 58.06 1gh4 h LYS 12 Cb 0.28 0.09 -0.40 0.00 -1.58 0.00 0.00 32.23 30.63 1gh4 h LYS 12 CO -0.21 0.89 -0.76 0.42 -1.08 0.00 0.00 179.45 178.71 1gh4 s ILE 13 N -2.58 1.63 0.43 1.86 1.01 0.22 -4.99 121.20 118.77 1gh4 s ILE 13 Ca -0.13 -3.39 0.17 0.00 0.00 0.00 0.00 60.65 57.31 1gh4 s ILE 13 Cb 0.07 -2.09 0.37 0.00 0.01 0.00 0.00 42.46 40.83 1gh4 s ILE 13 CO 0.80 -1.09 1.88 -0.65 0.00 0.00 0.00 174.94 175.89 1gh4 h PRO 14 N 5.65 0.38 -0.02 2.79 0.11 -1.65 -2.30 132.00 136.96 1gh4 h PRO 14 Ca 0.18 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1gh4 h PRO 14 Cb 0.84 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.86 1gh4 h PRO 14 CO 0.54 0.25 0.00 -1.13 -0.21 0.00 0.00 178.00 177.45 1gh4 n SER 15 N -4.49 0.49 -4.97 -2.05 3.41 -1.26 -4.90 113.62 99.85 1gh4 n SER 15 Ca 0.17 -1.31 -0.21 0.00 -0.26 0.00 0.00 58.87 57.26 1gh4 n SER 15 Cb 0.64 -0.01 0.01 0.00 -0.26 0.00 0.00 64.21 64.58 1gh4 n SER 15 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1gh4 s SER 16 N -1.82 5.83 -0.56 4.04 1.04 -0.86 -5.05 113.70 116.31 1gh4 s SER 16 Ca 0.38 0.06 0.04 0.00 0.48 0.00 0.00 55.95 56.91 1gh4 s SER 16 Cb 0.19 -1.33 0.16 0.00 0.10 0.00 0.00 66.02 65.13 1gh4 s SER 16 CO 0.30 -0.64 0.38 -1.61 0.98 0.00 0.00 173.24 172.65 1gh4 s GLU 17 N -4.42 1.83 0.02 4.02 0.41 -1.26 -4.96 118.70 114.33 1gh4 s GLU 17 Ca 0.48 -2.71 -0.04 0.00 -0.41 0.00 0.00 54.97 52.29 1gh4 s GLU 17 Cb -0.10 -2.77 -0.01 0.00 -1.78 0.00 0.00 34.13 29.48 1gh4 s GLU 17 CO 0.35 -1.26 0.76 -2.30 -0.49 0.00 0.00 175.26 172.33 1gh4 n PRO 18 N 2.64 -0.05 0.14 0.39 -0.02 -1.26 -0.79 135.00 136.05 1gh4 n PRO 18 Ca 0.17 0.76 0.09 0.00 -2.02 0.00 0.00 63.50 62.50 1gh4 n PRO 18 Cb 0.37 -1.13 0.48 0.00 -0.02 0.00 0.00 33.50 33.20 1gh4 n PRO 18 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1gh4 n LEU 19 N -3.07 0.46 -0.12 2.45 4.77 -1.26 -1.87 117.00 118.36 1gh4 n LEU 19 Ca 0.00 0.70 -0.24 0.00 -0.03 0.00 0.00 56.01 56.44 1gh4 n LEU 19 Cb 0.03 -0.74 -0.09 0.00 -2.33 0.00 0.00 43.42 40.29 1gh4 n LEU 19 CO -0.02 -0.85 -1.29 -0.11 -1.33 0.00 0.00 177.39 173.79 1gh4 n LEU 20 N -2.12 1.83 -0.07 2.23 7.94 -0.35 -4.48 117.00 121.98 1gh4 n LEU 20 Ca -0.01 0.23 -0.09 0.00 -1.11 0.00 0.00 56.01 55.02 1gh4 n LEU 20 Cb 0.07 -0.70 0.06 0.00 0.53 0.00 0.00 43.42 43.38 1gh4 n LEU 20 CO 0.08 0.54 0.61 0.44 -1.11 0.00 0.00 177.39 177.95 1gh4 h ASP 21 N -0.72 0.78 -0.94 1.96 3.32 -0.85 -3.28 116.42 116.69 1gh4 h ASP 21 Ca -0.58 -0.33 -0.60 0.00 0.02 0.00 0.00 57.03 55.53 1gh4 h ASP 21 Cb 1.55 -0.22 -0.30 0.00 0.22 0.00 0.00 39.33 40.59 1gh4 h ASP 21 CO -0.32 1.05 0.63 0.49 -1.72 0.00 0.00 179.24 179.37 1gh4 n PHE 22 N -4.06 3.04 -4.41 4.55 3.72 -0.78 -4.89 117.46 114.63 1gh4 n PHE 22 Ca -0.01 -2.62 -0.19 0.00 -0.05 0.00 0.00 57.45 54.58 1gh4 n PHE 22 Cb 0.50 -1.19 -0.15 0.00 -0.94 0.00 0.00 39.48 37.70 1gh4 n PHE 22 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1gh4 s ASN 23 N -1.90 1.15 -0.98 4.37 2.47 -1.24 -4.26 114.94 114.55 1gh4 s ASN 23 Ca 0.61 -0.18 -0.03 0.00 0.42 0.00 0.00 52.86 53.68 1gh4 s ASN 23 Cb 0.49 -0.13 0.00 0.00 -1.45 0.00 0.00 41.25 40.17 1gh4 s ASN 23 CO 0.02 0.12 0.84 0.59 -3.72 0.00 0.00 177.10 174.95 1gh4 n ASN 24 N 2.82 -3.48 -4.04 -4.21 5.03 -0.63 -4.94 115.26 105.82 1gh4 n ASN 24 Ca -0.14 -0.45 -0.26 0.00 0.87 0.00 0.00 54.58 54.60 1gh4 n ASN 24 Cb 0.57 -4.05 -0.17 0.00 -1.02 0.00 0.00 39.78 35.11 1gh4 n ASN 24 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1gh4 s TYR 25 N -3.27 1.60 0.00 3.10 6.14 -0.88 -1.57 117.35 122.48 1gh4 s TYR 25 Ca 0.20 -0.63 0.00 0.00 0.64 0.00 0.00 57.07 57.27 1gh4 s TYR 25 Cb -0.09 -1.17 0.00 0.00 0.42 0.00 0.00 41.96 41.12 1gh4 s TYR 25 CO 0.57 -0.33 0.00 0.41 0.64 0.00 0.00 175.55 176.84 1gh4 n GLY 26 N 3.91 1.09 0.00 8.97 0.00 -0.20 -1.89 105.19 117.07 1gh4 n GLY 26 Ca -0.21 -0.64 0.10 0.00 0.00 0.00 0.00 46.02 45.27 1gh4 n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gh4 n TYR 28 N -1.49 0.00 -2.38 0.00 4.02 -1.25 -2.95 117.16 113.11 1gh4 n TYR 28 Ca 0.04 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.51 1gh4 n TYR 28 Cb 0.32 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.61 1gh4 n TYR 28 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1gh4 n GLY 30 N 5.28 1.02 3.64 0.00 0.00 -1.26 -1.60 105.19 112.26 1gh4 n GLY 30 Ca 0.12 -1.99 -0.42 0.00 0.00 0.00 0.00 46.02 43.73 1gh4 n GLY 30 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1gh4 s LEU 31 N 0.00 4.16 0.00 0.99 1.98 -1.26 -4.70 118.68 119.85 1gh4 s LEU 31 Ca 0.00 2.38 0.00 0.00 -2.89 0.00 0.00 54.13 53.62 1gh4 s LEU 31 Cb 0.00 -3.53 0.00 0.00 0.66 0.00 0.00 46.19 43.32 1gh4 s LEU 31 CO 0.00 -1.26 0.00 0.61 -1.89 0.00 0.00 176.35 173.81 1gh4 n GLY 32 N 4.79 -1.86 0.00 7.98 0.00 -1.26 -5.10 105.19 109.74 1gh4 n GLY 32 Ca 0.22 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.62 1gh4 n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gh4 n GLY 33 N 0.00 4.76 3.66 -0.02 0.00 -1.26 -4.71 105.19 107.61 1gh4 n GLY 33 Ca 0.00 -1.00 -0.04 0.00 0.00 0.00 0.00 46.02 44.98 1gh4 n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1gh4 s SER 34 N 0.00 -0.21 0.00 1.61 1.04 -1.15 -4.98 113.70 110.01 1gh4 s SER 34 Ca 0.00 -0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.20 1gh4 s SER 34 Cb 0.00 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.51 1gh4 s SER 34 CO 0.00 -0.69 0.00 0.61 0.98 0.00 0.00 173.24 174.14 1gh4 n GLY 35 N -0.39 -1.22 3.68 7.32 0.00 -1.26 -4.83 105.19 108.49 1gh4 n GLY 35 Ca -0.07 -1.84 -0.38 0.00 0.00 0.00 0.00 46.02 43.73 1gh4 n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1gh4 s THR 36 N 0.00 5.19 0.36 2.61 2.01 -0.39 -5.05 115.64 120.37 1gh4 s THR 36 Ca 0.00 0.76 -0.28 0.00 0.31 0.00 0.00 61.69 62.47 1gh4 s THR 36 Cb 0.00 -3.75 -0.11 0.00 0.01 0.00 0.00 72.50 68.66 1gh4 s THR 36 CO 0.00 0.26 1.46 -2.84 -0.69 0.00 0.00 174.62 172.81 1gh4 s PRO 37 N 1.20 4.16 0.26 4.92 0.02 -1.26 -4.81 135.00 139.50 1gh4 s PRO 37 Ca 0.20 2.50 0.21 0.00 0.02 0.00 0.00 61.00 63.93 1gh4 s PRO 37 Cb -0.15 -2.99 0.09 0.00 0.02 0.00 0.00 34.50 31.46 1gh4 s PRO 37 CO 0.08 -0.47 1.22 -0.39 -0.33 0.00 0.00 177.00 177.12 1gh4 h VAL 38 N 3.03 0.18 -2.53 3.83 -1.51 -1.95 -3.49 116.25 113.80 1gh4 h VAL 38 Ca -0.50 -1.29 -0.01 0.00 -1.23 0.00 0.00 66.70 63.66 1gh4 h VAL 38 Cb 1.23 1.84 0.00 0.00 -2.13 0.00 0.00 31.29 32.24 1gh4 h VAL 38 CO 0.66 0.10 0.16 -0.90 -1.23 0.00 0.00 177.57 176.35 1gh4 n ASP 39 N -2.90 -1.26 -0.28 4.19 5.68 -1.26 -5.05 116.55 115.68 1gh4 n ASP 39 Ca -0.00 -1.86 -0.06 0.00 -0.50 0.00 0.00 54.79 52.36 1gh4 n ASP 39 Cb 0.61 2.09 0.06 0.00 -1.14 0.00 0.00 41.12 42.74 1gh4 n ASP 39 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1gh4 h ASP 40 N 1.08 1.10 -0.72 -1.12 3.32 -1.94 -2.47 116.42 115.66 1gh4 h ASP 40 Ca -0.18 -0.19 -0.04 0.00 0.02 0.00 0.00 57.03 56.63 1gh4 h ASP 40 Cb 0.68 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 39.91 1gh4 h ASP 40 CO 0.23 1.00 0.29 0.25 -1.72 0.00 0.00 179.24 179.29 1gh4 h LEU 41 N 1.13 1.00 -1.60 1.55 5.85 -1.94 -1.37 115.31 119.94 1gh4 h LEU 41 Ca 0.25 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 1gh4 h LEU 41 Cb 0.28 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 1gh4 h LEU 41 CO -0.01 0.90 0.13 -0.78 -0.34 0.00 0.00 178.44 178.34 1gh4 h ASP 42 N 1.04 0.35 0.27 1.25 3.58 -1.88 -0.86 116.42 120.17 1gh4 h ASP 42 Ca 0.24 -0.02 -0.13 0.00 0.42 0.00 0.00 57.03 57.54 1gh4 h ASP 42 Cb 0.22 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.17 1gh4 h ASP 42 CO -0.02 0.31 -0.50 0.03 -2.88 0.00 0.00 179.24 176.18 1gh4 h ARG 43 N 0.40 0.27 -0.49 0.28 3.08 -0.81 -1.98 114.38 115.14 1gh4 h ARG 43 Ca 0.10 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 1gh4 h ARG 43 Cb 0.06 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 1gh4 h ARG 43 CO -0.01 0.72 0.25 0.00 -1.07 0.00 0.00 179.97 179.85 1gh4 h GLN 46 N 0.54 0.97 -0.44 0.00 4.15 -1.03 0.33 115.11 119.63 1gh4 h GLN 46 Ca 0.10 -0.17 -0.06 0.00 0.77 0.00 0.00 58.65 59.29 1gh4 h GLN 46 Cb 0.49 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 28.00 1gh4 h GLN 46 CO 0.03 0.81 0.05 1.15 -1.93 0.00 0.00 178.83 178.94 1gh4 h THR 47 N 0.92 1.25 -0.71 2.39 2.02 -0.90 -2.32 112.91 115.57 1gh4 h THR 47 Ca 0.22 -0.94 -0.06 0.00 0.77 0.00 0.00 66.41 66.39 1gh4 h THR 47 Cb 0.19 1.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.58 1gh4 h THR 47 CO -0.02 0.33 0.20 -0.74 0.37 0.00 0.00 175.52 175.65 1gh4 h HIS 48 N 0.60 1.17 -0.38 3.16 -0.00 -0.83 -1.60 115.15 117.27 1gh4 h HIS 48 Ca 0.13 -0.13 0.02 0.00 -0.00 0.00 0.00 60.37 60.40 1gh4 h HIS 48 Cb 0.42 -0.33 -0.03 0.00 -0.00 0.00 0.00 27.41 27.46 1gh4 h HIS 48 CO 0.03 0.94 0.20 -0.44 -0.00 0.00 0.00 177.93 178.66 1gh4 h ASP 49 N 1.06 0.30 -0.42 3.26 5.19 -0.82 -1.83 116.42 123.15 1gh4 h ASP 49 Ca 0.23 0.01 -0.05 0.00 -0.62 0.00 0.00 57.03 56.60 1gh4 h ASP 49 Cb 0.34 -0.05 -0.02 0.00 0.18 0.00 0.00 39.33 39.78 1gh4 h ASP 49 CO -0.00 0.22 0.11 0.78 -3.12 0.00 0.00 179.24 177.22 1gh4 h ASN 50 N 0.41 0.70 -0.39 6.45 2.35 -1.06 -2.17 115.58 121.86 1gh4 h ASN 50 Ca 0.16 -0.12 -0.01 0.00 -0.55 0.00 0.00 56.30 55.77 1gh4 h ASN 50 Cb 0.05 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 1gh4 h ASN 50 CO -0.10 0.70 0.20 0.00 -1.65 0.00 0.00 177.43 176.58 1gh4 h TYR 52 N 0.50 0.79 -0.78 0.00 -1.99 -1.14 -0.95 116.97 113.39 1gh4 h TYR 52 Ca 0.14 -0.06 -0.04 0.00 2.00 0.00 0.00 58.73 60.76 1gh4 h TYR 52 Cb 0.10 -0.24 -0.04 0.00 2.00 0.00 0.00 36.73 38.55 1gh4 h TYR 52 CO -0.02 0.66 0.34 0.87 -0.00 0.00 0.00 178.16 180.01 1gh4 h LYS 53 N 0.75 1.15 -0.44 4.88 1.57 -0.96 -1.91 116.57 121.60 1gh4 h LYS 53 Ca 0.17 -0.19 -0.09 0.00 -1.87 0.00 0.00 60.65 58.68 1gh4 h LYS 53 Cb 0.26 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1gh4 h LYS 53 CO -0.00 0.91 -0.07 1.96 -0.57 0.00 0.00 179.45 181.67 1gh4 h GLN 54 N 1.13 0.83 -0.59 3.15 4.20 -0.68 -3.04 115.11 120.10 1gh4 h GLN 54 Ca 0.27 -0.30 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1gh4 h GLN 54 Cb 0.17 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.86 1gh4 h GLN 54 CO -0.03 0.92 0.38 0.00 -0.67 0.00 0.00 178.83 179.44 1gh4 h ALA 55 N 0.88 1.55 0.00 3.87 0.00 -0.77 -0.82 119.26 123.98 1gh4 h ALA 55 Ca 0.12 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1gh4 h ALA 55 Cb 0.60 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1gh4 h ALA 55 CO 0.04 0.40 0.00 -1.33 0.00 0.00 0.00 179.25 178.36 1gh4 n MET 56 N -4.44 0.02 -0.07 0.00 2.81 -0.76 -2.25 117.12 112.43 1gh4 n MET 56 Ca 0.06 0.21 0.07 0.00 -1.81 0.00 0.00 57.70 56.22 1gh4 n MET 56 Cb 0.05 -1.53 0.10 0.00 -0.71 0.00 0.00 33.22 31.13 1gh4 n MET 56 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1gh4 n LYS 57 N -1.56 1.49 -2.28 0.03 5.02 -0.35 -5.00 118.16 115.51 1gh4 n LYS 57 Ca 0.04 -1.57 -0.41 0.00 -2.02 0.00 0.00 58.31 54.34 1gh4 n LYS 57 Cb 0.22 -1.28 -0.03 0.00 -0.02 0.00 0.00 35.03 33.91 1gh4 n LYS 57 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1gh4 s LEU 58 N -1.09 4.41 0.32 -0.35 1.43 -0.96 -4.94 118.68 117.51 1gh4 s LEU 58 Ca 0.20 2.30 0.05 0.00 -1.03 0.00 0.00 54.13 55.64 1gh4 s LEU 58 Cb 0.12 -3.60 0.53 0.00 0.03 0.00 0.00 46.19 43.27 1gh4 s LEU 58 CO 0.18 -0.49 1.80 -0.78 0.23 0.00 0.00 176.35 177.28 1gh4 h ASP 59 N 5.67 0.42 0.62 2.29 3.58 -1.93 -2.69 116.42 124.38 1gh4 h ASP 59 Ca -0.44 -0.12 0.00 0.00 0.42 0.00 0.00 57.03 56.89 1gh4 h ASP 59 Cb 1.21 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 42.15 1gh4 h ASP 59 CO 0.78 0.61 0.00 -1.54 -2.88 0.00 0.00 179.24 176.21 1gh4 n SER 60 N -4.18 0.00 -4.61 2.28 3.41 -1.26 -4.64 113.62 104.62 1gh4 n SER 60 Ca 0.00 0.49 -0.37 0.00 -0.26 0.00 0.00 58.87 58.74 1gh4 n SER 60 Cb 0.34 -0.50 -0.10 0.00 -0.26 0.00 0.00 64.21 63.69 1gh4 n SER 60 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1gh4 s LYS 62 N 1.19 4.45 -0.32 0.00 1.02 -1.26 -4.85 119.74 119.97 1gh4 s LYS 62 Ca 0.07 2.05 -0.34 0.00 0.02 0.00 0.00 55.97 57.77 1gh4 s LYS 62 Cb -0.14 -3.13 -0.10 0.00 -0.52 0.00 0.00 37.83 33.94 1gh4 s LYS 62 CO 0.05 -0.07 2.19 0.28 -0.92 0.00 0.00 175.35 176.89 1gh4 n VAL 63 N 1.23 0.22 -3.35 3.17 0.31 -1.26 -2.31 118.33 116.33 1gh4 n VAL 63 Ca 0.01 -0.30 -0.24 0.00 -0.01 0.00 0.00 64.34 63.80 1gh4 n VAL 63 Cb 0.43 -1.81 0.02 0.00 -0.91 0.00 0.00 33.84 31.56 1gh4 n VAL 63 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1gh4 n LEU 64 N 10.17 -2.13 -0.07 7.52 4.77 -1.26 -4.34 117.00 131.66 1gh4 n LEU 64 Ca 0.39 -0.43 -0.07 0.00 -0.03 0.00 0.00 56.01 55.87 1gh4 n LEU 64 Cb 0.27 -2.50 -0.10 0.00 -2.33 0.00 0.00 43.42 38.76 1gh4 n LEU 64 CO 0.74 0.25 -0.96 1.33 -1.33 0.00 0.00 177.39 177.42 1gh4 n VAL 65 N -4.28 0.93 -1.09 4.08 0.24 -1.25 -4.32 118.33 112.64 1gh4 n VAL 65 Ca -0.04 -0.54 -0.01 0.00 -2.04 0.00 0.00 64.34 61.71 1gh4 n VAL 65 Cb 0.56 -0.71 0.28 0.00 -1.47 0.00 0.00 33.84 32.51 1gh4 n VAL 65 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1gh4 n ASP 66 N -2.57 4.28 -4.73 -1.34 8.00 -0.98 -4.74 116.55 114.48 1gh4 n ASP 66 Ca -0.23 -3.24 -0.36 0.00 0.71 0.00 0.00 54.79 51.67 1gh4 n ASP 66 Cb 0.92 -0.67 0.08 0.00 -0.02 0.00 0.00 41.12 41.43 1gh4 n ASP 66 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1gh4 s ASN 67 N -1.50 4.42 0.46 -2.24 4.22 -1.26 -4.72 114.94 114.31 1gh4 s ASN 67 Ca 0.50 2.53 0.20 0.00 -2.14 0.00 0.00 52.86 53.96 1gh4 s ASN 67 Cb 0.41 -2.61 1.19 0.00 1.28 0.00 0.00 41.25 41.52 1gh4 s ASN 67 CO 0.10 -2.13 1.91 -0.65 -2.04 0.00 0.00 177.10 174.30 1gh4 h PRO 68 N 0.22 0.26 -0.02 3.55 0.11 -1.93 -2.04 132.00 132.15 1gh4 h PRO 68 Ca -0.50 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 65.45 1gh4 h PRO 68 Cb 1.32 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.36 1gh4 h PRO 68 CO 0.52 0.18 -0.65 1.88 -0.21 0.00 0.00 178.00 179.71 1gh4 h TYR 69 N 0.27 0.12 0.00 0.65 0.05 -1.94 -3.33 116.97 112.78 1gh4 h TYR 69 Ca 0.38 -0.05 0.00 0.00 0.05 0.00 0.00 58.73 59.11 1gh4 h TYR 69 Cb 1.08 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.81 1gh4 h TYR 69 CO -0.00 0.71 0.00 0.25 -1.05 0.00 0.00 178.16 178.07 1gh4 n THR 70 N -3.80 0.14 -2.75 -2.88 -2.24 -1.11 -1.51 114.28 100.15 1gh4 n THR 70 Ca -0.02 -0.54 -0.43 0.00 -2.27 0.00 0.00 64.05 60.80 1gh4 n THR 70 Cb 0.64 0.98 -0.03 0.00 -2.10 0.00 0.00 70.33 69.82 1gh4 n THR 70 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1gh4 s ASN 71 N -0.14 6.71 0.23 3.42 3.84 -0.78 -4.78 114.94 123.44 1gh4 s ASN 71 Ca 0.00 0.62 -0.30 0.00 0.21 0.00 0.00 52.86 53.40 1gh4 s ASN 71 Cb 0.00 -2.49 -0.09 0.00 -0.55 0.00 0.00 41.25 38.12 1gh4 s ASN 71 CO 0.00 -0.93 0.93 0.20 -2.79 0.00 0.00 177.10 174.51 1gh4 s ASN 72 N 1.94 7.62 0.37 -4.21 -0.87 -1.26 0.45 114.94 118.99 1gh4 s ASN 72 Ca 0.41 1.92 0.04 0.00 -1.57 0.00 0.00 52.86 53.65 1gh4 s ASN 72 Cb -0.11 -2.60 -0.04 0.00 -0.02 0.00 0.00 41.25 38.48 1gh4 s ASN 72 CO 0.20 0.16 0.12 -0.72 -2.57 0.00 0.00 177.10 174.29 1gh4 s TYR 73 N -1.15 1.78 -0.19 2.20 -0.85 -1.26 -4.88 117.35 113.00 1gh4 s TYR 73 Ca 0.41 -1.23 -0.08 0.00 -0.52 0.00 0.00 57.07 55.65 1gh4 s TYR 73 Cb -0.26 -1.12 -0.04 0.00 0.38 0.00 0.00 41.96 40.93 1gh4 s TYR 73 CO 0.31 -0.28 0.07 0.45 -1.52 0.00 0.00 175.55 174.59 1gh4 s SER 74 N -3.53 5.70 0.23 -0.18 0.15 -1.26 -4.99 113.70 109.83 1gh4 s SER 74 Ca 0.29 0.09 -0.14 0.00 0.70 0.00 0.00 55.95 56.89 1gh4 s SER 74 Cb 0.04 -1.98 0.00 0.00 -1.71 0.00 0.00 66.02 62.38 1gh4 s SER 74 CO 0.15 0.17 0.49 -0.72 1.20 0.00 0.00 173.24 174.53 1gh4 s TYR 75 N 0.41 0.21 0.02 3.44 1.13 -1.26 -1.50 117.35 119.80 1gh4 s TYR 75 Ca 0.04 -0.58 -0.05 0.00 -1.41 0.00 0.00 57.07 55.07 1gh4 s TYR 75 Cb -0.12 0.26 -0.01 0.00 -1.10 0.00 0.00 41.96 40.99 1gh4 s TYR 75 CO 0.00 -0.98 0.09 -1.54 -2.51 0.00 0.00 175.55 170.62 1gh4 s SER 76 N -2.97 0.11 -0.24 -0.18 1.04 -0.11 -4.91 113.70 106.43 1gh4 s SER 76 Ca 0.18 -0.36 -0.03 0.00 0.48 0.00 0.00 55.95 56.22 1gh4 s SER 76 Cb -0.01 0.19 0.01 0.00 0.10 0.00 0.00 66.02 66.31 1gh4 s SER 76 CO 0.06 -0.40 -0.03 0.00 0.98 0.00 0.00 173.24 173.84 1gh4 s SER 78 N 1.41 4.03 -1.18 0.00 0.15 0.13 -4.81 113.70 113.43 1gh4 s SER 78 Ca 0.03 -1.36 -0.09 0.00 0.70 0.00 0.00 55.95 55.23 1gh4 s SER 78 Cb -0.16 -1.24 -0.02 0.00 -1.71 0.00 0.00 66.02 62.89 1gh4 s SER 78 CO -0.03 -0.26 0.79 0.59 1.20 0.00 0.00 173.24 175.52 1gh4 n ASN 79 N 4.61 -4.05 -1.67 5.45 3.02 -1.26 -1.47 115.26 119.89 1gh4 n ASN 79 Ca -0.09 -0.87 -0.20 0.00 -0.03 0.00 0.00 54.58 53.39 1gh4 n ASN 79 Cb 0.43 -4.09 -0.08 0.00 -0.61 0.00 0.00 39.78 35.44 1gh4 n ASN 79 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1gh4 n ASN 80 N -2.96 -5.27 -4.41 6.41 4.13 -1.26 -4.97 115.26 106.93 1gh4 n ASN 80 Ca -0.17 0.44 -0.31 0.00 1.68 0.00 0.00 54.58 56.22 1gh4 n ASN 80 Cb 0.63 -4.65 -0.14 0.00 -1.54 0.00 0.00 39.78 34.09 1gh4 n ASN 80 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1gh4 s GLU 81 N -3.84 2.08 -0.13 3.52 0.41 -0.54 -4.51 118.70 115.69 1gh4 s GLU 81 Ca 0.00 -0.96 -0.04 0.00 -0.41 0.00 0.00 54.97 53.56 1gh4 s GLU 81 Cb 0.00 -2.14 -0.03 0.00 -1.78 0.00 0.00 34.13 30.17 1gh4 s GLU 81 CO 0.00 0.55 0.00 0.42 -0.49 0.00 0.00 175.26 175.74 1gh4 s ILE 82 N -0.81 4.26 -0.08 -1.63 1.01 -1.26 0.19 121.20 122.88 1gh4 s ILE 82 Ca 0.13 -0.24 0.02 0.00 0.00 0.00 0.00 60.65 60.55 1gh4 s ILE 82 Cb -0.10 -2.85 0.02 0.00 0.01 0.00 0.00 42.46 39.53 1gh4 s ILE 82 CO 0.03 0.53 -0.11 -0.89 0.00 0.00 0.00 174.94 174.50 1gh4 s THR 83 N -0.12 1.09 -0.21 2.92 2.01 -0.23 -5.00 115.64 116.10 1gh4 s THR 83 Ca 0.04 -0.42 -0.19 0.00 0.31 0.00 0.00 61.69 61.43 1gh4 s THR 83 Cb -0.13 -1.02 -0.03 0.00 0.01 0.00 0.00 72.50 71.33 1gh4 s THR 83 CO 0.02 0.35 0.54 0.00 -0.69 0.00 0.00 174.62 174.85 1gh4 s SER 85 N 1.25 5.40 0.00 0.00 0.15 -0.56 -4.94 113.70 115.01 1gh4 s SER 85 Ca 0.24 2.58 0.21 0.00 0.70 0.00 0.00 55.95 59.69 1gh4 s SER 85 Cb -0.16 -2.62 1.14 0.00 -1.71 0.00 0.00 66.02 62.67 1gh4 s SER 85 CO 0.10 -1.47 1.75 -1.20 1.20 0.00 0.00 173.24 173.62 1gh4 n SER 86 N -1.09 0.44 0.00 5.45 7.64 -1.26 -2.94 113.62 121.87 1gh4 n SER 86 Ca 0.11 -1.43 0.12 0.00 1.01 0.00 0.00 58.87 58.68 1gh4 n SER 86 Cb 0.47 -0.02 0.32 0.00 -1.01 0.00 0.00 64.21 63.97 1gh4 n SER 86 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1gh4 n GLU 87 N -0.52 0.00 -2.24 1.43 1.02 -1.26 -4.91 120.64 114.16 1gh4 n GLU 87 Ca 0.16 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.96 1gh4 n GLU 87 Cb 0.14 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.06 1gh4 n GLU 87 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1gh4 s ASN 88 N -3.02 5.84 0.75 1.62 0.02 -1.15 -5.03 114.94 113.96 1gh4 s ASN 88 Ca 0.12 2.01 -0.05 0.00 -1.02 0.00 0.00 52.86 53.91 1gh4 s ASN 88 Cb 0.18 -2.56 0.11 0.00 0.02 0.00 0.00 41.25 39.00 1gh4 s ASN 88 CO 0.67 -1.13 1.05 0.54 0.02 0.00 0.00 177.10 178.24 1gh4 s ASN 89 N -2.13 4.31 0.21 -1.22 2.20 -1.26 -4.80 114.94 112.25 1gh4 s ASN 89 Ca 0.69 0.03 -0.10 0.00 -0.94 0.00 0.00 52.86 52.54 1gh4 s ASN 89 Cb -0.20 -0.47 0.30 0.00 -2.00 0.00 0.00 41.25 38.88 1gh4 s ASN 89 CO 0.29 -1.90 1.71 0.00 -2.94 0.00 0.00 177.10 174.26 1gh4 h ALA 90 N -0.72 0.73 -0.15 3.54 0.00 -1.97 0.13 119.26 120.83 1gh4 h ALA 90 Ca -0.41 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 1gh4 h ALA 90 Cb 1.28 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 1gh4 h ALA 90 CO 0.47 -0.28 -0.02 0.00 0.00 0.00 0.00 179.25 179.41 1gh4 h GLU 92 N -0.00 1.20 -0.68 0.00 5.08 -1.84 -2.74 114.58 115.59 1gh4 h GLU 92 Ca 0.04 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.26 1gh4 h GLU 92 Cb 0.42 -0.27 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 1gh4 h GLU 92 CO 0.01 0.79 0.15 0.00 -1.00 0.00 0.00 179.01 178.97 1gh4 h ALA 93 N 1.40 0.98 -0.51 3.43 0.00 -0.89 -1.59 119.26 122.08 1gh4 h ALA 93 Ca 0.39 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 1gh4 h ALA 93 Cb 0.01 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1gh4 h ALA 93 CO -0.13 0.66 -0.01 0.35 0.00 0.00 0.00 179.25 180.11 1gh4 h PHE 94 N 1.04 1.00 -0.41 0.00 3.04 -1.19 -2.54 116.94 117.87 1gh4 h PHE 94 Ca 0.21 -0.18 -0.11 0.00 3.98 0.00 0.00 57.97 61.88 1gh4 h PHE 94 Cb 0.38 -0.26 -0.01 0.00 2.56 0.00 0.00 35.95 38.62 1gh4 h PHE 94 CO 0.03 0.93 -0.15 0.82 -2.02 0.00 0.00 178.31 177.92 1gh4 h ILE 95 N 0.78 1.28 -0.98 1.41 2.04 -1.41 -2.32 117.51 118.31 1gh4 h ILE 95 Ca 0.14 -1.28 0.08 0.00 1.00 0.00 0.00 64.86 64.81 1gh4 h ILE 95 Cb 0.54 1.23 -0.07 0.00 -0.74 0.00 0.00 36.82 37.78 1gh4 h ILE 95 CO 0.03 0.43 0.63 0.00 0.00 0.00 0.00 178.15 179.24 1gh4 h ASN 97 N 1.09 0.40 -0.35 0.00 -1.24 -1.22 -1.09 115.58 113.17 1gh4 h ASN 97 Ca 0.45 -0.22 0.01 0.00 0.71 0.00 0.00 56.30 57.24 1gh4 h ASN 97 Cb 0.27 -0.11 -0.02 0.00 0.73 0.00 0.00 38.32 39.18 1gh4 h ASN 97 CO -0.20 0.90 0.20 0.00 -1.29 0.00 0.00 177.43 177.04 1gh4 h ASP 99 N 0.42 0.79 -0.37 0.00 3.32 -1.33 -2.69 116.42 116.56 1gh4 h ASP 99 Ca 0.14 -0.27 0.01 0.00 0.02 0.00 0.00 57.03 56.93 1gh4 h ASP 99 Cb -0.00 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 1gh4 h ASP 99 CO -0.06 0.86 0.22 -0.09 -1.72 0.00 0.00 179.24 178.44 1gh4 h ARG 100 N 0.69 0.44 -0.67 3.56 2.43 -0.92 -1.21 114.38 118.70 1gh4 h ARG 100 Ca 0.15 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.26 1gh4 h ARG 100 Cb 0.41 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.83 1gh4 h ARG 100 CO 0.01 0.29 0.29 -0.91 -1.51 0.00 0.00 179.97 178.14 1gh4 h ASN 101 N 0.45 0.88 -0.27 -3.80 2.35 -1.18 -2.29 115.58 111.72 1gh4 h ASN 101 Ca 0.14 -0.11 -0.07 0.00 -0.55 0.00 0.00 56.30 55.71 1gh4 h ASN 101 Cb -0.00 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.13 1gh4 h ASN 101 CO -0.06 0.77 -0.11 0.00 -1.65 0.00 0.00 177.43 176.37 1gh4 h ALA 102 N 1.36 0.38 -1.00 -0.83 0.00 -1.20 -0.81 119.26 117.17 1gh4 h ALA 102 Ca 0.23 -0.31 0.03 0.00 0.00 0.00 0.00 54.91 54.87 1gh4 h ALA 102 Cb 0.15 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.79 1gh4 h ALA 102 CO -0.02 0.24 0.66 0.00 0.00 0.00 0.00 179.25 180.12 1gh4 h ALA 103 N 0.75 1.34 -0.13 0.00 0.00 -1.02 0.05 119.26 120.24 1gh4 h ALA 103 Ca 0.06 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1gh4 h ALA 103 Cb 0.62 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1gh4 h ALA 103 CO 0.04 0.57 -0.16 0.82 0.00 0.00 0.00 179.25 180.52 1gh4 h ILE 104 N 1.28 1.36 -0.40 0.00 2.04 -1.31 -2.89 117.51 117.58 1gh4 h ILE 104 Ca 0.39 -1.35 0.06 0.00 1.00 0.00 0.00 64.86 64.96 1gh4 h ILE 104 Cb -0.03 1.93 -0.05 0.00 -0.74 0.00 0.00 36.82 37.93 1gh4 h ILE 104 CO -0.12 0.39 0.09 0.00 0.00 0.00 0.00 178.15 178.52 1gh4 h PHE 106 N 0.22 1.08 0.00 0.00 -1.00 -1.02 -0.94 116.94 115.27 1gh4 h PHE 106 Ca 0.19 0.03 0.00 0.00 2.81 0.00 0.00 57.97 61.00 1gh4 h PHE 106 Cb 0.22 -0.34 0.00 0.00 3.61 0.00 0.00 35.95 39.44 1gh4 h PHE 106 CO -0.19 0.45 0.00 -1.13 -1.61 0.00 0.00 178.31 175.83 1gh4 n SER 107 N -4.63 0.00 -0.59 2.17 3.41 -0.57 -3.39 113.62 110.02 1gh4 n SER 107 Ca 0.17 0.41 0.05 0.00 -0.26 0.00 0.00 58.87 59.24 1gh4 n SER 107 Cb 0.31 -0.46 0.14 0.00 -0.26 0.00 0.00 64.21 63.93 1gh4 n SER 107 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1gh4 n LYS 108 N -1.46 2.89 -4.28 4.33 5.02 -0.36 -5.03 118.16 119.27 1gh4 n LYS 108 Ca 0.05 -2.01 -0.16 0.00 -2.02 0.00 0.00 58.31 54.17 1gh4 n LYS 108 Cb 0.20 -1.25 -0.10 0.00 -0.02 0.00 0.00 35.03 33.85 1gh4 n LYS 108 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1gh4 s VAL 109 N -1.02 1.38 0.57 -0.18 -7.23 -1.21 -5.09 120.40 107.61 1gh4 s VAL 109 Ca 0.21 -2.04 -0.16 0.00 -1.81 0.00 0.00 61.98 58.19 1gh4 s VAL 109 Cb 0.11 -1.84 -0.05 0.00 0.56 0.00 0.00 36.38 35.16 1gh4 s VAL 109 CO 0.14 -0.63 1.03 -2.16 -0.31 0.00 0.00 175.10 173.17 1gh4 s PRO 110 N -3.49 3.52 -0.30 4.82 0.04 -1.26 -4.98 135.00 133.35 1gh4 s PRO 110 Ca 0.17 1.12 -0.05 0.00 0.04 0.00 0.00 61.00 62.27 1gh4 s PRO 110 Cb -0.00 -2.07 0.03 0.00 0.04 0.00 0.00 34.50 32.50 1gh4 s PRO 110 CO 0.03 -0.64 0.06 -0.47 0.04 0.00 0.00 177.00 176.02 1gh4 s TYR 111 N -2.52 3.19 -0.44 0.56 6.14 -1.26 -4.50 117.35 118.52 1gh4 s TYR 111 Ca 0.62 -1.34 -0.13 0.00 0.64 0.00 0.00 57.07 56.86 1gh4 s TYR 111 Cb -0.14 -2.21 0.07 0.00 0.42 0.00 0.00 41.96 40.09 1gh4 s TYR 111 CO 0.35 -0.68 0.33 -0.80 0.64 0.00 0.00 175.55 175.39 1gh4 s ASN 112 N 1.41 5.96 0.58 4.32 0.01 -1.26 -4.97 114.94 120.98 1gh4 s ASN 112 Ca -0.00 -1.31 0.30 0.00 -0.71 0.00 0.00 52.86 51.13 1gh4 s ASN 112 Cb -0.18 -2.11 1.78 0.00 0.41 0.00 0.00 41.25 41.15 1gh4 s ASN 112 CO 0.01 -0.57 2.23 0.07 -1.51 0.00 0.00 177.10 177.32 1gh4 h LYS 113 N 8.61 0.00 0.00 -0.60 -0.00 -2.01 -2.33 116.57 120.24 1gh4 h LYS 113 Ca -0.26 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.39 1gh4 h LYS 113 Cb 1.10 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.33 1gh4 h LYS 113 CO 0.81 0.02 0.00 -0.85 -0.00 0.00 0.00 179.45 179.43 1gh4 n GLU 114 N -3.78 0.12 -0.51 0.07 0.00 -1.26 -2.48 120.64 112.79 1gh4 n GLU 114 Ca -0.03 0.19 0.10 0.00 0.00 0.00 0.00 57.16 57.42 1gh4 n GLU 114 Cb 0.11 -1.50 0.34 0.00 0.00 0.00 0.00 31.44 30.39 1gh4 n GLU 114 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1gh4 n HIS 115 N -1.39 1.27 -2.90 -1.84 8.25 -0.88 -4.94 115.22 112.79 1gh4 n HIS 115 Ca 0.06 -0.54 -0.37 0.00 -0.26 0.00 0.00 57.72 56.60 1gh4 n HIS 115 Cb 0.15 -0.15 -0.06 0.00 1.12 0.00 0.00 29.99 31.05 1gh4 n HIS 115 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1gh4 s LYS 116 N -1.53 4.48 -1.23 -0.41 -0.14 -1.04 -1.03 119.74 118.85 1gh4 s LYS 116 Ca 0.49 1.17 -0.18 0.00 -1.36 0.00 0.00 55.97 56.09 1gh4 s LYS 116 Cb 0.29 -2.87 0.00 0.00 -1.68 0.00 0.00 37.83 33.58 1gh4 s LYS 116 CO 0.27 0.34 0.67 0.09 -0.76 0.00 0.00 175.35 175.96 1gh4 n ASN 117 N 0.70 -3.74 -4.82 2.83 4.13 -0.61 -4.93 115.26 108.83 1gh4 n ASN 117 Ca -0.00 -1.07 -0.36 0.00 1.68 0.00 0.00 54.58 54.83 1gh4 n ASN 117 Cb 0.50 -2.99 -0.06 0.00 -1.54 0.00 0.00 39.78 35.69 1gh4 n ASN 117 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1gh4 s LEU 118 N -6.78 4.38 0.47 3.41 1.43 -1.26 -5.05 118.68 115.29 1gh4 s LEU 118 Ca 0.35 1.36 -0.20 0.00 -1.03 0.00 0.00 54.13 54.60 1gh4 s LEU 118 Cb -0.14 -3.44 -0.09 0.00 0.03 0.00 0.00 46.19 42.55 1gh4 s LEU 118 CO 0.89 0.08 1.02 -0.62 0.23 0.00 0.00 176.35 177.95 1gh4 s ASP 119 N -1.57 6.48 0.61 2.29 -1.08 -1.26 -4.94 116.67 117.20 1gh4 s ASP 119 Ca 0.40 1.87 0.31 0.00 -0.52 0.00 0.00 52.55 54.60 1gh4 s ASP 119 Cb -0.17 -2.55 1.74 0.00 -1.46 0.00 0.00 42.92 40.47 1gh4 s ASP 119 CO 0.21 -0.68 2.11 0.24 0.52 0.00 0.00 175.17 177.57 1gh4 h MET 120 N 1.63 0.00 0.00 4.34 2.86 -1.98 -2.01 114.93 119.77 1gh4 h MET 120 Ca -0.49 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.15 1gh4 h MET 120 Cb 1.21 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.87 1gh4 h MET 120 CO 0.59 0.00 0.00 0.00 1.06 0.00 0.00 176.91 178.56 1gh4 n MET 121 N -3.63 0.09 0.00 1.72 0.00 -1.26 -1.53 117.12 112.51 1gh4 n MET 121 Ca 0.01 0.54 0.13 0.00 0.00 0.00 0.00 57.70 58.38 1gh4 n MET 121 Cb 0.30 -1.77 0.27 0.00 0.00 0.00 0.00 33.22 32.02 1gh4 n MET 121 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 1gh4 n ASN 122 N -1.96 2.32 -0.92 3.17 3.02 -0.76 -5.22 115.26 114.92 1gh4 n ASN 122 Ca -0.00 -1.75 0.12 0.00 -0.03 0.00 0.00 54.58 52.92 1gh4 n ASN 122 Cb 0.05 0.02 0.13 0.00 -0.61 0.00 0.00 39.78 39.38 1gh4 n ASN 122 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64