#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hgj h LEU 2 N 0.00 0.00 0.00 0.99 3.38 -1.90 -2.85 115.31 114.93 1hgj h LEU 2 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1hgj h LEU 2 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1hgj h LEU 2 CO 0.00 0.22 -1.82 0.49 0.09 0.00 0.00 178.44 177.42 1hgj n PHE 3 N -3.73 0.04 -1.85 1.13 3.01 -1.26 -4.99 117.46 109.81 1hgj n PHE 3 Ca -0.01 0.01 -0.10 0.00 1.01 0.00 0.00 57.45 58.36 1hgj n PHE 3 Cb 0.33 -0.45 -0.02 0.00 -0.01 0.00 0.00 39.48 39.33 1hgj n PHE 3 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1hgj n GLY 4 N 1.29 0.41 0.01 1.37 0.00 -1.08 -4.94 105.19 102.25 1hgj n GLY 4 Ca -0.03 -0.51 -0.01 0.00 0.00 0.00 0.00 46.02 45.48 1hgj n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hgj h ALA 5 N 0.29 0.00 -2.68 4.61 0.00 -1.89 0.12 119.26 119.72 1hgj h ALA 5 Ca -0.22 -0.20 -0.53 0.00 0.00 0.00 0.00 54.91 53.96 1hgj h ALA 5 Cb 0.98 0.06 0.04 0.00 0.00 0.00 0.00 17.79 18.86 1hgj h ALA 5 CO 0.29 0.06 0.72 0.42 0.00 0.00 0.00 179.25 180.73 1hgj s ILE 6 N -1.17 2.97 -1.42 0.00 1.01 -1.26 -0.88 121.20 120.45 1hgj s ILE 6 Ca -0.02 0.77 0.00 0.00 0.00 0.00 0.00 60.65 61.41 1hgj s ILE 6 Cb 0.00 -3.50 0.00 0.00 0.01 0.00 0.00 42.46 38.98 1hgj s ILE 6 CO 0.02 0.11 0.00 0.00 0.00 0.00 0.00 174.94 175.07 1hgj n ALA 7 N 2.82 -0.62 -2.23 9.38 0.00 -1.21 -3.85 120.51 124.81 1hgj n ALA 7 Ca 0.08 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1hgj n ALA 7 Cb 0.41 -1.75 0.00 0.00 0.00 0.00 0.00 19.45 18.12 1hgj n ALA 7 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hgj n GLY 8 N -0.77 3.44 0.23 0.00 0.00 -0.06 -4.86 105.19 103.17 1hgj n GLY 8 Ca -0.18 -0.39 0.16 0.00 0.00 0.00 0.00 46.02 45.61 1hgj n GLY 8 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 1hgj h PHE 9 N 0.00 0.00 -3.34 1.61 -5.15 -0.39 -3.32 116.94 106.34 1hgj h PHE 9 Ca 0.00 0.00 -0.69 0.00 -0.20 0.00 0.00 57.97 57.08 1hgj h PHE 9 Cb 0.00 0.00 -0.19 0.00 0.22 0.00 0.00 35.95 35.98 1hgj h PHE 9 CO 0.00 0.00 -0.06 0.42 -2.00 0.00 0.00 178.31 176.67 1hgj s ILE 10 N -3.58 4.97 0.26 0.88 1.01 -0.69 -4.08 121.20 119.98 1hgj s ILE 10 Ca 0.02 -0.51 -0.01 0.00 0.00 0.00 0.00 60.65 60.15 1hgj s ILE 10 Cb 0.09 -4.21 0.25 0.00 0.01 0.00 0.00 42.46 38.60 1hgj s ILE 10 CO 0.47 -0.68 1.73 -0.33 0.00 0.00 0.00 174.94 176.14 1hgj h GLU 11 N 8.89 0.48 -2.69 2.79 5.08 -1.84 -3.20 114.58 124.09 1hgj h GLU 11 Ca -0.27 -0.03 0.11 0.00 -1.00 0.00 0.00 59.36 58.16 1hgj h GLU 11 Cb 1.10 -0.11 -0.08 0.00 0.50 0.00 0.00 28.75 30.17 1hgj h GLU 11 CO 0.91 0.32 0.35 0.54 -1.00 0.00 0.00 179.01 180.12 1hgj s ASN 12 N -5.33 -0.27 0.80 1.42 4.22 -1.26 -4.73 114.94 109.79 1hgj s ASN 12 Ca -0.12 -0.42 -0.11 0.00 -2.14 0.00 0.00 52.86 50.07 1hgj s ASN 12 Cb 0.22 0.60 0.09 0.00 1.28 0.00 0.00 41.25 43.44 1hgj s ASN 12 CO 0.77 -1.08 1.15 -0.83 -2.04 0.00 0.00 177.10 175.07 1hgj s GLY 13 N -2.88 1.64 -0.37 0.45 0.00 -1.26 -5.01 107.32 99.90 1hgj s GLY 13 Ca 0.10 -0.80 -0.10 0.00 0.00 0.00 0.00 44.72 43.92 1hgj s GLY 13 CO 0.02 -0.30 0.19 -0.98 0.00 0.00 0.00 173.10 172.03 1hgj s TRP 14 N -3.51 3.24 0.35 1.90 0.51 -1.26 -4.93 118.94 115.24 1hgj s TRP 14 Ca 0.63 -0.98 0.32 0.00 -2.12 0.00 0.00 56.10 53.95 1hgj s TRP 14 Cb -0.10 -2.42 1.57 0.00 -0.81 0.00 0.00 33.47 31.71 1hgj s TRP 14 CO 0.48 -0.64 2.08 0.93 -0.51 0.00 0.00 176.95 179.29 1hgj h GLU 15 N 8.41 0.00 0.00 4.98 5.08 -2.04 -2.75 114.58 128.26 1hgj h GLU 15 Ca -0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 1hgj h GLU 15 Cb 1.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1hgj h GLU 15 CO 0.66 0.07 0.00 0.41 -1.00 0.00 0.00 179.01 179.15 1hgj n GLY 16 N -0.49 -1.42 3.57 -3.84 0.00 -1.26 -4.68 105.19 97.07 1hgj n GLY 16 Ca -0.01 -0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 1hgj n GLY 16 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1hgj s MET 17 N -3.09 3.56 0.00 1.61 -2.45 -1.04 -4.80 119.30 113.09 1hgj s MET 17 Ca 0.10 0.23 0.09 0.00 -1.25 0.00 0.00 55.69 54.85 1hgj s MET 17 Cb 0.13 -3.93 -0.08 0.00 1.25 0.00 0.00 34.83 32.20 1hgj s MET 17 CO 0.47 -1.27 0.40 0.44 1.05 0.00 0.00 175.02 176.11 1hgj n ILE 18 N 6.51 0.00 0.20 10.11 -5.35 -1.26 -4.55 119.36 125.02 1hgj n ILE 18 Ca 0.07 -0.31 0.12 0.00 -0.27 0.00 0.00 62.75 62.36 1hgj n ILE 18 Cb 0.49 1.02 0.24 0.00 -1.74 0.00 0.00 39.64 39.64 1hgj n ILE 18 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 1hgj n ASP 19 N -1.06 3.54 0.00 7.28 5.75 -1.26 -5.01 116.55 125.79 1hgj n ASP 19 Ca 0.02 -1.99 0.00 0.00 -0.01 0.00 0.00 54.79 52.81 1hgj n ASP 19 Cb 0.14 -0.30 0.00 0.00 -1.03 0.00 0.00 41.12 39.94 1hgj n ASP 19 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1hgj n GLY 20 N 1.54 0.19 0.08 6.12 0.00 -1.26 -4.81 105.19 107.05 1hgj n GLY 20 Ca 0.20 -0.96 -0.06 0.00 0.00 0.00 0.00 46.02 45.21 1hgj n GLY 20 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1hgj n TRP 21 N -0.26 0.94 -4.22 1.61 7.02 -1.26 -4.92 117.44 116.35 1hgj n TRP 21 Ca 0.00 0.33 -0.18 0.00 -1.02 0.00 0.00 57.50 56.63 1hgj n TRP 21 Cb 0.00 -1.14 -0.11 0.00 -2.42 0.00 0.00 31.31 27.63 1hgj n TRP 21 CO 0.00 0.00 0.00 0.71 -2.02 0.00 0.00 177.69 176.38 1hgj s TYR 22 N -2.70 1.33 -0.01 -5.99 2.02 -1.26 -5.03 117.35 105.70 1hgj s TYR 22 Ca -0.04 -0.54 -0.05 0.00 -0.37 0.00 0.00 57.07 56.06 1hgj s TYR 22 Cb 0.08 -0.71 0.02 0.00 -0.40 0.00 0.00 41.96 40.95 1hgj s TYR 22 CO 0.82 0.11 0.24 0.41 -1.57 0.00 0.00 175.55 175.56 1hgj n GLY 23 N 0.71 0.38 3.40 0.71 0.00 -1.26 0.22 105.19 109.35 1hgj n GLY 23 Ca -0.17 -0.84 -0.28 0.00 0.00 0.00 0.00 46.02 44.73 1hgj n GLY 23 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1hgj s PHE 24 N -2.19 2.30 -0.02 1.61 0.40 0.17 -4.88 117.98 115.36 1hgj s PHE 24 Ca 0.06 -0.37 0.02 0.00 -0.60 0.00 0.00 56.93 56.03 1hgj s PHE 24 Cb -0.00 -1.19 0.00 0.00 0.51 0.00 0.00 43.02 42.34 1hgj s PHE 24 CO -0.00 0.41 -0.06 1.03 0.70 0.00 0.00 175.22 177.30 1hgj s ARG 25 N -2.35 0.63 0.23 0.44 0.52 -1.26 -0.40 118.95 116.76 1hgj s ARG 25 Ca 0.17 -0.20 0.01 0.00 -0.52 0.00 0.00 55.73 55.19 1hgj s ARG 25 Cb -0.09 -0.62 -0.05 0.00 0.52 0.00 0.00 34.95 34.71 1hgj s ARG 25 CO 0.08 0.08 0.09 -3.38 0.02 0.00 0.00 175.30 172.19 1hgj s HIS 26 N 0.17 1.40 -0.03 -0.53 -3.43 0.01 -4.96 115.29 107.91 1hgj s HIS 26 Ca -0.02 -1.21 -0.01 0.00 -0.80 0.00 0.00 55.06 53.03 1hgj s HIS 26 Cb -0.06 -0.79 0.03 0.00 -1.43 0.00 0.00 32.58 30.33 1hgj s HIS 26 CO -0.00 -0.39 0.03 -1.14 -2.00 0.00 0.00 174.74 171.24 1hgj s GLN 27 N -4.05 0.02 0.00 -0.38 0.74 -1.26 -1.33 119.66 113.40 1hgj s GLN 27 Ca 0.36 0.22 0.00 0.00 0.05 0.00 0.00 55.36 55.99 1hgj s GLN 27 Cb 0.07 -0.38 0.00 0.00 1.10 0.00 0.00 33.01 33.81 1hgj s GLN 27 CO 0.12 -0.21 0.00 0.27 -0.55 0.00 0.00 175.29 174.91 1hgj n ASN 28 N 4.51 0.25 0.19 6.67 6.94 -0.27 -4.99 115.26 128.56 1hgj n ASN 28 Ca -0.20 -0.76 0.15 0.00 -0.02 0.00 0.00 54.58 53.75 1hgj n ASN 28 Cb 0.50 0.00 0.76 0.00 -2.36 0.00 0.00 39.78 38.68 1hgj n ASN 28 CO 0.00 0.00 0.00 0.77 -1.03 0.00 0.00 177.26 177.00 1hgj h SER 29 N 0.00 0.00 -0.14 0.53 4.64 -1.91 -2.07 113.55 114.61 1hgj h SER 29 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1hgj h SER 29 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1hgj h SER 29 CO 0.00 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.34 1hgj n GLU 30 N -4.12 2.23 0.00 4.77 1.02 -1.26 -5.07 120.64 118.21 1hgj n GLU 30 Ca 0.02 -1.82 0.00 0.00 -0.02 0.00 0.00 57.16 55.34 1hgj n GLU 30 Cb 0.30 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.24 1hgj n GLU 30 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1hgj n GLY 31 N 1.35 0.68 3.58 0.62 0.00 -0.78 -5.02 105.19 105.62 1hgj n GLY 31 Ca 0.16 -1.94 -0.23 0.00 0.00 0.00 0.00 46.02 44.01 1hgj n GLY 31 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1hgj s THR 32 N -1.98 3.03 0.14 2.61 -4.23 -1.26 -1.11 115.64 112.83 1hgj s THR 32 Ca 0.00 -2.09 -0.25 0.00 -1.18 0.00 0.00 61.69 58.18 1hgj s THR 32 Cb 0.00 -2.65 0.07 0.00 1.34 0.00 0.00 72.50 71.25 1hgj s THR 32 CO 0.00 -0.36 0.80 -0.83 -0.54 0.00 0.00 174.62 173.68 1hgj s GLY 33 N -3.62 -0.37 0.05 3.99 0.00 -0.44 -4.96 107.32 101.97 1hgj s GLY 33 Ca 0.31 0.37 0.04 0.00 0.00 0.00 0.00 44.72 45.44 1hgj s GLY 33 CO 0.18 0.11 -0.11 1.62 0.00 0.00 0.00 173.10 174.91 1hgj s GLN 34 N -3.49 0.68 -0.24 2.90 0.74 -1.26 -0.81 119.66 118.17 1hgj s GLN 34 Ca 0.07 -0.79 -0.13 0.00 0.05 0.00 0.00 55.36 54.56 1hgj s GLN 34 Cb -0.02 -0.57 0.08 0.00 1.10 0.00 0.00 33.01 33.59 1hgj s GLN 34 CO -0.04 0.12 0.57 0.00 -0.55 0.00 0.00 175.29 175.40 1hgj s ALA 35 N -1.20 -1.55 0.59 1.58 0.00 0.46 -4.96 121.76 116.68 1hgj s ALA 35 Ca -0.05 2.06 -0.17 0.00 0.00 0.00 0.00 51.96 53.80 1hgj s ALA 35 Cb -0.09 -1.26 -0.04 0.00 0.00 0.00 0.00 23.12 21.73 1hgj s ALA 35 CO 0.01 -0.38 1.08 0.00 0.00 0.00 0.00 175.76 176.48 1hgj s ALA 36 N 1.65 2.67 -0.29 0.00 0.00 -1.26 -0.65 121.76 123.88 1hgj s ALA 36 Ca -0.09 0.55 -0.11 0.00 0.00 0.00 0.00 51.96 52.31 1hgj s ALA 36 Cb -0.07 -3.28 -0.04 0.00 0.00 0.00 0.00 23.12 19.73 1hgj s ALA 36 CO -0.17 -0.88 0.18 0.34 0.00 0.00 0.00 175.76 175.23 1hgj s ASP 37 N -2.43 5.87 0.25 0.00 2.15 0.13 -4.82 116.67 117.82 1hgj s ASP 37 Ca 0.67 -0.16 0.21 0.00 0.43 0.00 0.00 52.55 53.70 1hgj s ASP 37 Cb -0.19 -2.09 0.07 0.00 -0.30 0.00 0.00 42.92 40.41 1hgj s ASP 37 CO 0.34 -0.10 1.18 -0.07 -0.17 0.00 0.00 175.17 176.36 1hgj h LEU 38 N 8.37 0.00 -0.16 -1.34 3.38 -1.94 -3.06 115.31 120.57 1hgj h LEU 38 Ca -0.34 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.49 1hgj h LEU 38 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1hgj h LEU 38 CO 0.58 0.14 -0.43 0.11 0.09 0.00 0.00 178.44 178.92 1hgj h LYS 39 N 0.00 0.57 -0.05 1.13 1.57 -1.96 -1.04 116.57 116.78 1hgj h LYS 39 Ca -0.03 -0.40 -0.17 0.00 -1.87 0.00 0.00 60.65 58.18 1hgj h LYS 39 Cb 1.13 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.49 1hgj h LYS 39 CO 0.01 1.02 -0.72 0.66 -0.57 0.00 0.00 179.45 179.86 1hgj h SER 40 N 0.21 0.34 -0.82 0.86 4.64 -1.95 -1.08 113.55 115.75 1hgj h SER 40 Ca -0.01 -0.23 -0.01 0.00 -0.47 0.00 0.00 61.79 61.08 1hgj h SER 40 Cb 1.05 -0.10 -0.04 0.00 -0.31 0.00 0.00 62.40 63.00 1hgj h SER 40 CO 0.09 0.95 0.49 0.74 -0.87 0.00 0.00 176.83 178.23 1hgj h THR 41 N 0.20 1.23 -0.33 2.95 2.02 -1.48 -1.13 112.91 116.38 1hgj h THR 41 Ca -0.02 -0.51 -0.15 0.00 0.77 0.00 0.00 66.41 66.50 1hgj h THR 41 Cb 1.28 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.76 1hgj h THR 41 CO 0.11 0.24 -0.40 -0.61 0.37 0.00 0.00 175.52 175.23 1hgj h GLN 42 N 1.13 0.80 -0.10 6.66 5.75 -0.91 -0.24 115.11 128.19 1hgj h GLN 42 Ca 0.29 -0.42 0.02 0.00 -0.15 0.00 0.00 58.65 58.39 1hgj h GLN 42 Cb -0.04 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.51 1hgj h GLN 42 CO -0.05 1.06 -0.00 0.00 -2.65 0.00 0.00 178.83 177.18 1hgj h ALA 43 N 0.89 0.09 -0.06 3.38 0.00 -0.81 0.23 119.26 122.97 1hgj h ALA 43 Ca 0.05 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1hgj h ALA 43 Cb 0.97 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 1hgj h ALA 43 CO 0.09 -0.46 0.03 0.00 0.00 0.00 0.00 179.25 178.91 1hgj h ALA 44 N 1.09 0.07 -0.36 0.00 0.00 -1.13 -2.58 119.26 116.34 1hgj h ALA 44 Ca 0.05 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1hgj h ALA 44 Cb 0.06 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1hgj h ALA 44 CO -0.08 -0.40 0.20 0.82 0.00 0.00 0.00 179.25 179.79 1hgj h ILE 45 N 0.02 1.14 -0.68 0.00 2.04 -0.52 -2.17 117.51 117.34 1hgj h ILE 45 Ca 0.02 -0.35 0.03 0.00 1.00 0.00 0.00 64.86 65.56 1hgj h ILE 45 Cb 0.05 0.71 -0.04 0.00 -0.74 0.00 0.00 36.82 36.80 1hgj h ILE 45 CO -0.00 0.14 0.42 0.44 0.00 0.00 0.00 178.15 179.15 1hgj h ASP 46 N 0.46 0.69 -0.34 1.72 3.32 -0.56 -0.28 116.42 121.44 1hgj h ASP 46 Ca 0.13 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 1hgj h ASP 46 Cb 0.05 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 1hgj h ASP 46 CO -0.02 0.48 0.16 1.56 -1.72 0.00 0.00 179.24 179.69 1hgj h GLN 47 N 0.82 0.49 -0.36 3.56 4.20 -1.22 0.00 115.11 122.60 1hgj h GLN 47 Ca 0.27 -0.07 -0.05 0.00 0.06 0.00 0.00 58.65 58.86 1hgj h GLN 47 Cb 0.02 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 1hgj h GLN 47 CO -0.11 0.45 0.01 0.82 -0.67 0.00 0.00 178.83 179.33 1hgj h ILE 48 N 0.40 1.20 -0.05 2.54 2.04 -0.99 -1.33 117.51 121.32 1hgj h ILE 48 Ca 0.11 -0.79 -0.11 0.00 1.00 0.00 0.00 64.86 65.07 1hgj h ILE 48 Cb 0.13 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 1hgj h ILE 48 CO -0.01 0.27 -0.48 0.78 0.00 0.00 0.00 178.15 178.71 1hgj h ASN 49 N 0.54 0.14 -0.30 1.72 -0.26 -0.59 -0.27 115.58 116.56 1hgj h ASN 49 Ca 0.12 -0.07 -0.02 0.00 -0.56 0.00 0.00 56.30 55.77 1hgj h ASN 49 Cb 0.33 -0.04 -0.01 0.00 -1.06 0.00 0.00 38.32 37.54 1hgj h ASN 49 CO 0.01 0.60 0.09 1.23 -1.06 0.00 0.00 177.43 178.31 1hgj h GLY 50 N 1.39 0.50 0.97 2.83 0.00 -0.18 0.28 103.07 108.85 1hgj h GLY 50 Ca 0.00 -0.29 -0.00 0.00 0.00 0.00 0.00 47.33 47.04 1hgj h GLY 50 CO 0.07 0.27 0.20 1.70 0.00 0.00 0.00 176.54 178.78 1hgj h LYS 51 N 0.32 0.48 -0.42 4.80 3.64 -1.14 -2.63 116.57 121.62 1hgj h LYS 51 Ca 0.10 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 1hgj h LYS 51 Cb 0.24 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.95 1hgj h LYS 51 CO -0.00 0.38 0.23 1.25 -2.27 0.00 0.00 179.45 179.04 1hgj h LEU 52 N 0.44 0.53 -1.27 5.20 5.85 -0.51 -2.47 115.31 123.09 1hgj h LEU 52 Ca 0.12 -0.09 -0.08 0.00 0.84 0.00 0.00 57.88 58.68 1hgj h LEU 52 Cb 0.04 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 1hgj h LEU 52 CO -0.02 0.46 -0.36 0.78 -0.34 0.00 0.00 178.44 178.96 1hgj h ASN 53 N 0.55 0.00 -0.47 1.25 2.35 -0.75 -1.78 115.58 116.73 1hgj h ASN 53 Ca 0.15 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.78 1hgj h ASN 53 Cb 0.05 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 1hgj h ASN 53 CO -0.02 0.36 -0.18 -0.09 -1.65 0.00 0.00 177.43 175.85 1hgj h ARG 54 N 0.00 0.95 0.00 0.81 9.65 -1.08 -1.35 114.38 123.35 1hgj h ARG 54 Ca -0.00 -0.40 -0.10 0.00 -1.10 0.00 0.00 59.98 58.38 1hgj h ARG 54 Cb 0.67 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.19 1hgj h ARG 54 CO 0.05 1.06 -0.50 0.28 2.80 0.00 0.00 179.97 183.66 1hgj h VAL 55 N 0.79 1.36 -0.14 0.20 2.07 -1.03 -2.51 116.25 116.98 1hgj h VAL 55 Ca 0.11 -1.72 0.00 0.00 0.82 0.00 0.00 66.70 65.91 1hgj h VAL 55 Cb 0.75 1.93 0.00 0.00 -1.52 0.00 0.00 31.29 32.45 1hgj h VAL 55 CO 0.06 0.49 0.00 -0.38 0.02 0.00 0.00 177.57 177.76 1hgj n ILE 56 N -3.94 0.16 -1.77 4.57 5.41 -0.86 -4.92 119.36 118.01 1hgj n ILE 56 Ca -0.01 -0.44 -0.42 0.00 1.00 0.00 0.00 62.75 62.87 1hgj n ILE 56 Cb 0.52 0.82 -0.03 0.00 -0.71 0.00 0.00 39.64 40.23 1hgj n ILE 56 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 1hgj s GLU 57 N -1.84 4.15 0.00 0.38 2.12 -0.54 -4.60 118.70 118.38 1hgj s GLU 57 Ca 0.34 2.53 0.00 0.00 0.36 0.00 0.00 54.97 58.20 1hgj s GLU 57 Cb 0.20 -3.47 0.00 0.00 0.26 0.00 0.00 34.13 31.12 1hgj s GLU 57 CO 0.30 -0.79 0.00 1.17 -0.54 0.00 0.00 175.26 175.41 1hgj n LYS 58 N 5.23 -0.25 -2.44 4.30 3.00 -1.26 -4.95 118.16 121.78 1hgj n LYS 58 Ca 0.17 0.24 -0.42 0.00 -0.00 0.00 0.00 58.31 58.30 1hgj n LYS 58 Cb 0.38 -0.33 -0.03 0.00 0.00 0.00 0.00 35.03 35.05 1hgj n LYS 58 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1hgj s THR 59 N 0.00 4.22 0.55 3.15 -4.23 -1.26 -5.02 115.64 113.05 1hgj s THR 59 Ca 0.00 1.55 -0.13 0.00 -1.18 0.00 0.00 61.69 61.92 1hgj s THR 59 Cb 0.00 -3.99 -0.06 0.00 1.34 0.00 0.00 72.50 69.79 1hgj s THR 59 CO 0.00 -0.00 0.98 0.54 -0.54 0.00 0.00 174.62 175.60 1hgj s ASN 60 N 1.50 6.44 0.03 3.99 4.22 -1.26 -5.05 114.94 124.82 1hgj s ASN 60 Ca 0.56 1.45 0.04 0.00 -2.14 0.00 0.00 52.86 52.78 1hgj s ASN 60 Cb -0.25 -2.47 -0.04 0.00 1.28 0.00 0.00 41.25 39.78 1hgj s ASN 60 CO 0.22 -0.68 -0.07 -1.83 -2.04 0.00 0.00 177.10 172.70 1hgj s GLU 61 N -4.52 2.46 -0.00 3.55 -1.05 -1.26 -5.11 118.70 112.77 1hgj s GLU 61 Ca 0.56 -0.80 0.02 0.00 -0.15 0.00 0.00 54.97 54.61 1hgj s GLU 61 Cb -0.10 -2.46 -0.01 0.00 -0.44 0.00 0.00 34.13 31.12 1hgj s GLU 61 CO 0.41 0.58 -0.06 0.15 0.95 0.00 0.00 175.26 177.29 1hgj s LYS 62 N -1.64 0.48 0.00 -4.83 -0.14 -1.26 -5.13 119.74 107.22 1hgj s LYS 62 Ca 0.19 -0.23 0.00 0.00 -1.36 0.00 0.00 55.97 54.57 1hgj s LYS 62 Cb -0.11 -0.45 0.00 0.00 -1.68 0.00 0.00 37.83 35.59 1hgj s LYS 62 CO 0.10 0.12 0.00 1.19 -0.76 0.00 0.00 175.35 176.00 1hgj n PHE 63 N 2.88 0.00 -2.00 3.18 3.72 -1.26 -5.01 117.46 118.97 1hgj n PHE 63 Ca -0.13 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.85 1hgj n PHE 63 Cb 0.58 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.09 1hgj n PHE 63 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 1hgj s HIS 64 N 2.06 2.97 0.00 1.38 2.46 -1.26 -4.96 115.29 117.94 1hgj s HIS 64 Ca 0.00 0.65 0.00 0.00 0.47 0.00 0.00 55.06 56.18 1hgj s HIS 64 Cb 0.00 -3.87 0.00 0.00 -0.13 0.00 0.00 32.58 28.58 1hgj s HIS 64 CO 0.00 -3.22 0.00 1.04 -2.47 0.00 0.00 174.74 170.09 1hgj n GLN 65 N 4.34 0.01 -4.48 2.88 6.02 -1.26 -5.16 117.38 119.73 1hgj n GLN 65 Ca 0.14 0.00 -0.24 0.00 -0.01 0.00 0.00 57.00 56.89 1hgj n GLN 65 Cb 0.40 0.00 -0.10 0.00 1.02 0.00 0.00 30.24 31.56 1hgj n GLN 65 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 1hgj s ILE 66 N 4.00 2.17 0.33 5.09 -4.36 -1.26 -5.11 121.20 122.06 1hgj s ILE 66 Ca 0.00 -2.26 -0.27 0.00 -0.26 0.00 0.00 60.65 57.86 1hgj s ILE 66 Cb 0.00 -2.44 -0.09 0.00 1.25 0.00 0.00 42.46 41.18 1hgj s ILE 66 CO 0.00 -0.32 1.13 -1.61 0.24 0.00 0.00 174.94 174.37 1hgj s GLU 67 N -3.60 4.39 0.00 0.37 0.41 -1.26 -4.95 118.70 114.06 1hgj s GLU 67 Ca 0.30 1.80 0.00 0.00 -0.41 0.00 0.00 54.97 56.66 1hgj s GLU 67 Cb -0.00 -2.94 0.00 0.00 -1.78 0.00 0.00 34.13 29.41 1hgj s GLU 67 CO 0.14 -0.02 0.73 1.63 -0.49 0.00 0.00 175.26 177.26 1hgj n LYS 68 N 0.66 1.25 -3.77 1.61 5.02 -1.26 -4.86 118.16 116.80 1hgj n LYS 68 Ca 0.01 -1.00 -0.13 0.00 -2.02 0.00 0.00 58.31 55.18 1hgj n LYS 68 Cb 0.46 -0.92 -0.13 0.00 -0.02 0.00 0.00 35.03 34.42 1hgj n LYS 68 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1hgj s GLU 69 N -0.52 0.20 0.03 1.97 2.02 -1.26 -5.07 118.70 116.07 1hgj s GLU 69 Ca 0.00 0.37 0.04 0.00 0.02 0.00 0.00 54.97 55.40 1hgj s GLU 69 Cb 0.00 -0.00 -0.02 0.00 0.10 0.00 0.00 34.13 34.21 1hgj s GLU 69 CO 0.00 -0.09 -0.13 -0.06 0.02 0.00 0.00 175.26 175.00 1hgj s PHE 70 N 0.61 1.14 -0.47 1.61 0.08 -1.26 -5.07 117.98 114.62 1hgj s PHE 70 Ca -0.04 -0.34 0.15 0.00 0.12 0.00 0.00 56.93 56.82 1hgj s PHE 70 Cb -0.06 -0.68 -0.19 0.00 -0.57 0.00 0.00 43.02 41.53 1hgj s PHE 70 CO -0.03 0.02 0.53 -1.13 -0.10 0.00 0.00 175.22 174.51 1hgj n SER 71 N 1.99 0.97 -4.63 1.36 3.41 -1.26 -5.00 113.62 110.46 1hgj n SER 71 Ca -0.18 -0.57 -0.25 0.00 -0.26 0.00 0.00 58.87 57.61 1hgj n SER 71 Cb 0.55 1.23 -0.09 0.00 -0.26 0.00 0.00 64.21 65.64 1hgj n SER 71 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1hgj s GLU 72 N -2.62 2.04 -0.22 4.33 0.41 -1.26 -5.11 118.70 116.26 1hgj s GLU 72 Ca 0.02 -1.83 -0.14 0.00 -0.41 0.00 0.00 54.97 52.62 1hgj s GLU 72 Cb 0.11 -1.87 -0.04 0.00 -1.78 0.00 0.00 34.13 30.55 1hgj s GLU 72 CO 0.62 0.09 0.29 0.08 -0.49 0.00 0.00 175.26 175.86 1hgj s VAL 73 N -2.56 5.27 0.00 2.63 1.01 -1.26 -4.96 120.40 120.53 1hgj s VAL 73 Ca 0.35 0.48 0.00 0.00 0.00 0.00 0.00 61.98 62.81 1hgj s VAL 73 Cb 0.02 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.77 1hgj s VAL 73 CO 0.19 0.29 0.00 -0.62 0.00 0.00 0.00 175.10 174.96 1hgj n GLU 74 N 4.39 1.59 0.00 2.72 1.02 -1.26 -5.13 120.64 123.97 1hgj n GLU 74 Ca -0.11 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.03 1hgj n GLU 74 Cb 0.51 -0.93 0.00 0.00 -0.02 0.00 0.00 31.44 31.00 1hgj n GLU 74 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1hgj n GLY 75 N 2.29 1.02 0.30 0.62 0.00 -1.26 -4.72 105.19 103.45 1hgj n GLY 75 Ca 0.00 -1.52 -0.03 0.00 0.00 0.00 0.00 46.02 44.47 1hgj n GLY 75 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1hgj h ARG 76 N 0.00 -0.08 -0.39 1.61 2.43 -2.00 -0.80 114.38 115.15 1hgj h ARG 76 Ca 0.00 0.01 -0.16 0.00 -0.81 0.00 0.00 59.98 59.02 1hgj h ARG 76 Cb 0.00 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 1hgj h ARG 76 CO 0.00 -0.06 -0.37 0.97 -1.51 0.00 0.00 179.97 179.00 1hgj h ILE 77 N -0.09 1.27 -0.04 1.20 6.09 -2.01 -2.79 117.51 121.14 1hgj h ILE 77 Ca 0.28 -1.54 -0.10 0.00 -1.37 0.00 0.00 64.86 62.12 1hgj h ILE 77 Cb 0.53 1.36 -0.01 0.00 0.47 0.00 0.00 36.82 39.16 1hgj h ILE 77 CO -0.68 0.52 -0.46 -0.61 -3.07 0.00 0.00 178.15 173.85 1hgj h GLN 78 N 0.76 0.10 -0.80 2.19 4.15 -1.56 -1.31 115.11 118.65 1hgj h GLN 78 Ca 0.07 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.42 1hgj h GLN 78 Cb 0.96 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.61 1hgj h GLN 78 CO 0.09 0.54 0.46 -0.44 -1.93 0.00 0.00 178.83 177.55 1hgj h ASP 79 N 0.08 0.99 -0.21 -0.69 3.32 -0.99 -0.67 116.42 118.25 1hgj h ASP 79 Ca 0.00 -0.08 -0.09 0.00 0.02 0.00 0.00 57.03 56.88 1hgj h ASP 79 Cb 0.84 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 40.14 1hgj h ASP 79 CO 0.06 0.78 -0.20 0.25 -1.72 0.00 0.00 179.24 178.42 1hgj h LEU 80 N 1.11 0.55 -0.78 1.55 5.85 -1.15 0.42 115.31 122.85 1hgj h LEU 80 Ca 0.29 -0.47 0.08 0.00 0.84 0.00 0.00 57.88 58.61 1hgj h LEU 80 Cb -0.00 -0.15 -0.07 0.00 0.37 0.00 0.00 40.66 40.81 1hgj h LEU 80 CO -0.05 0.90 0.45 -0.33 -0.34 0.00 0.00 178.44 179.08 1hgj h GLU 81 N 0.20 0.77 -0.18 1.25 5.08 -1.01 0.13 114.58 120.82 1hgj h GLU 81 Ca 0.04 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1hgj h GLU 81 Cb 0.74 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1hgj h GLU 81 CO 0.05 0.51 0.00 0.87 -1.00 0.00 0.00 179.01 179.44 1hgj h LYS 82 N 0.80 0.32 -0.69 2.33 1.57 -1.01 -3.06 116.57 116.83 1hgj h LYS 82 Ca 0.36 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 59.04 1hgj h LYS 82 Cb 0.27 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.51 1hgj h LYS 82 CO -0.21 0.53 0.42 -0.92 -0.57 0.00 0.00 179.45 178.70 1hgj h TYR 83 N 0.08 0.90 -0.54 -1.35 3.20 -0.16 -0.67 116.97 118.43 1hgj h TYR 83 Ca 0.05 0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.00 1hgj h TYR 83 Cb 0.38 -0.30 -0.06 0.00 1.54 0.00 0.00 36.73 38.29 1hgj h TYR 83 CO 0.03 0.60 0.21 0.28 -1.64 0.00 0.00 178.16 177.65 1hgj h VAL 84 N 0.94 0.84 -0.24 1.81 2.07 -0.80 -0.21 116.25 120.65 1hgj h VAL 84 Ca 0.25 -0.14 -0.20 0.00 0.82 0.00 0.00 66.70 67.43 1hgj h VAL 84 Cb -0.05 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.12 1hgj h VAL 84 CO -0.05 0.07 -0.63 -0.08 0.02 0.00 0.00 177.57 176.91 1hgj h GLU 85 N 0.41 0.86 -0.29 1.57 4.57 -1.33 -1.25 114.58 119.11 1hgj h GLU 85 Ca 0.26 -0.60 -0.10 0.00 -1.18 0.00 0.00 59.36 57.74 1hgj h GLU 85 Cb 0.27 0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.94 1hgj h GLU 85 CO -0.25 1.22 -0.25 0.22 -1.18 0.00 0.00 179.01 178.77 1hgj h ASP 86 N 0.63 0.58 0.84 1.04 3.58 -0.89 0.45 116.42 122.65 1hgj h ASP 86 Ca -0.01 -0.20 -0.15 0.00 0.42 0.00 0.00 57.03 57.09 1hgj h ASP 86 Cb 1.25 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 42.12 1hgj h ASP 86 CO 0.14 0.82 -0.72 0.71 -2.88 0.00 0.00 179.24 177.31 1hgj h THR 87 N 0.50 1.44 0.06 2.25 1.35 -0.84 -2.12 112.91 115.54 1hgj h THR 87 Ca 0.07 -2.53 -0.00 0.00 -0.55 0.00 0.00 66.41 63.40 1hgj h THR 87 Cb 0.70 2.39 0.00 0.00 -1.73 0.00 0.00 68.15 69.51 1hgj h THR 87 CO 0.05 0.70 -0.03 0.50 -0.25 0.00 0.00 175.52 176.50 1hgj h LYS 88 N 0.00 -0.07 -0.18 4.72 3.64 -0.46 -2.39 116.57 121.83 1hgj h LYS 88 Ca -0.01 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.41 1hgj h LYS 88 Cb 1.33 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 33.13 1hgj h LYS 88 CO 0.09 0.12 -0.05 0.82 -2.27 0.00 0.00 179.45 178.16 1hgj h ILE 89 N -0.25 0.81 -0.85 2.00 2.04 -0.84 -0.68 117.51 119.73 1hgj h ILE 89 Ca -0.01 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.90 1hgj h ILE 89 Cb 0.22 0.81 -0.05 0.00 -0.74 0.00 0.00 36.82 37.06 1hgj h ILE 89 CO 0.01 0.00 0.56 0.44 0.00 0.00 0.00 178.15 179.16 1hgj h ASP 90 N -0.01 0.88 -0.09 1.72 3.32 -1.33 0.10 116.42 121.02 1hgj h ASP 90 Ca 0.09 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 1hgj h ASP 90 Cb 0.14 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.49 1hgj h ASP 90 CO -0.19 0.59 -0.01 -0.07 -1.72 0.00 0.00 179.24 177.83 1hgj h LEU 91 N 1.02 0.16 -1.63 1.55 3.38 -0.89 0.60 115.31 119.49 1hgj h LEU 91 Ca 0.35 -0.35 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1hgj h LEU 91 Cb 0.11 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1hgj h LEU 91 CO -0.11 0.48 -0.13 -0.50 0.09 0.00 0.00 178.44 178.26 1hgj h TRP 92 N -0.16 0.07 -0.15 1.13 4.06 -0.75 -1.14 115.95 119.01 1hgj h TRP 92 Ca 0.02 -0.01 -0.17 0.00 2.06 0.00 0.00 58.89 60.80 1hgj h TRP 92 Cb 0.40 -0.02 -0.00 0.00 -1.00 0.00 0.00 29.16 28.54 1hgj h TRP 92 CO 0.05 0.20 -0.61 0.77 -3.56 0.00 0.00 178.44 175.29 1hgj h SER 93 N 0.07 0.60 -0.42 -3.49 0.02 -0.30 -1.44 113.55 108.59 1hgj h SER 93 Ca 0.01 -0.34 -0.02 0.00 -0.84 0.00 0.00 61.79 60.60 1hgj h SER 93 Cb 0.28 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 1hgj h SER 93 CO 0.02 1.07 0.20 0.22 -1.14 0.00 0.00 176.83 177.19 1hgj h TYR 94 N 0.39 0.61 -0.27 3.45 3.20 -0.29 -1.59 116.97 122.47 1hgj h TYR 94 Ca -0.01 -0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.85 1hgj h TYR 94 Cb 1.17 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 39.23 1hgj h TYR 94 CO 0.05 0.51 0.12 -0.91 -1.64 0.00 0.00 178.16 176.28 1hgj h ASN 95 N 0.54 0.16 -0.55 -2.11 2.35 -0.90 -0.80 115.58 114.27 1hgj h ASN 95 Ca 0.14 0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.90 1hgj h ASN 95 Cb 0.13 -0.01 -0.03 0.00 0.05 0.00 0.00 38.32 38.47 1hgj h ASN 95 CO -0.02 0.13 0.28 0.00 -1.65 0.00 0.00 177.43 176.17 1hgj h ALA 96 N 1.15 0.71 -0.34 -0.83 0.00 -0.99 -0.29 119.26 118.67 1hgj h ALA 96 Ca 0.12 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1hgj h ALA 96 Cb 0.06 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1hgj h ALA 96 CO -0.10 0.25 0.18 1.49 0.00 0.00 0.00 179.25 181.07 1hgj h GLU 97 N 0.74 0.49 -0.48 0.00 4.57 -0.95 -1.81 114.58 117.13 1hgj h GLU 97 Ca 0.19 -0.06 -0.11 0.00 -1.18 0.00 0.00 59.36 58.20 1hgj h GLU 97 Cb 0.09 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.57 1hgj h GLU 97 CO -0.03 0.42 -0.13 1.25 -1.18 0.00 0.00 179.01 179.35 1hgj h LEU 98 N 0.43 0.90 0.25 1.64 5.85 -0.98 -2.45 115.31 120.95 1hgj h LEU 98 Ca 0.12 -0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.53 1hgj h LEU 98 Cb 0.09 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 40.88 1hgj h LEU 98 CO -0.02 1.03 -0.12 0.25 -0.34 0.00 0.00 178.44 179.24 1hgj h LEU 99 N 0.80 -0.29 -1.03 2.25 5.85 -0.55 -0.79 115.31 121.55 1hgj h LEU 99 Ca 0.12 -0.06 -0.09 0.00 0.84 0.00 0.00 57.88 58.69 1hgj h LEU 99 Cb 0.66 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.75 1hgj h LEU 99 CO 0.05 -0.12 -0.29 -0.37 -0.34 0.00 0.00 178.44 177.37 1hgj h VAL 100 N -0.45 1.27 -0.16 1.05 -1.51 -1.35 -0.99 116.25 114.10 1hgj h VAL 100 Ca -0.03 -1.27 -0.00 0.00 -1.23 0.00 0.00 66.70 64.16 1hgj h VAL 100 Cb 0.34 1.45 -0.01 0.00 -2.13 0.00 0.00 31.29 30.94 1hgj h VAL 100 CO 0.06 0.39 0.09 0.00 -1.23 0.00 0.00 177.57 176.88 1hgj h ALA 101 N 1.40 0.21 0.16 5.19 0.00 -0.96 0.13 119.26 125.39 1hgj h ALA 101 Ca 0.04 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1hgj h ALA 101 Cb 0.67 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1hgj h ALA 101 CO 0.05 -0.26 -0.08 -0.07 0.00 0.00 0.00 179.25 178.89 1hgj h LEU 102 N 0.17 -0.18 -0.51 0.00 3.38 -0.80 -2.00 115.31 115.37 1hgj h LEU 102 Ca 0.06 -0.10 0.10 0.00 0.09 0.00 0.00 57.88 58.03 1hgj h LEU 102 Cb 0.06 0.05 -0.10 0.00 0.09 0.00 0.00 40.66 40.76 1hgj h LEU 102 CO -0.01 -0.01 -0.12 -0.33 0.09 0.00 0.00 178.44 178.06 1hgj h GLU 103 N -0.34 0.01 -0.39 1.13 4.39 -1.03 -0.63 114.58 117.72 1hgj h GLU 103 Ca -0.02 -0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.56 1hgj h GLU 103 Cb 0.27 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 1hgj h GLU 103 CO 0.04 0.00 -0.24 -0.91 -1.16 0.00 0.00 179.01 176.74 1hgj h ASN 104 N 0.01 0.80 -0.27 1.42 2.35 -0.61 0.53 115.58 119.80 1hgj h ASN 104 Ca 0.25 -0.30 -0.00 0.00 -0.55 0.00 0.00 56.30 55.70 1hgj h ASN 104 Cb 0.37 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 1hgj h ASN 104 CO -0.52 1.01 0.16 -0.61 -1.65 0.00 0.00 177.43 175.83 1hgj h GLN 105 N 0.68 0.37 -0.64 0.81 5.75 -0.68 -1.80 115.11 119.59 1hgj h GLN 105 Ca 0.09 -0.03 -0.08 0.00 -0.15 0.00 0.00 58.65 58.48 1hgj h GLN 105 Cb 0.76 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 29.21 1hgj h GLN 105 CO 0.06 0.28 0.08 1.25 -2.65 0.00 0.00 178.83 177.85 1hgj h HIS 106 N 0.34 1.15 -0.71 3.99 2.76 -0.47 -2.37 115.15 119.84 1hgj h HIS 106 Ca 0.10 -0.17 -0.02 0.00 -2.20 0.00 0.00 60.37 58.08 1hgj h HIS 106 Cb 0.01 -0.31 -0.03 0.00 1.55 0.00 0.00 27.41 28.63 1hgj h HIS 106 CO -0.05 0.97 0.34 1.15 -1.30 0.00 0.00 177.93 179.05 1hgj h THR 107 N 1.00 1.22 -0.43 6.26 2.02 -0.35 0.16 112.91 122.80 1hgj h THR 107 Ca 0.19 -0.62 -0.13 0.00 0.77 0.00 0.00 66.41 66.62 1hgj h THR 107 Cb 0.47 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 1hgj h THR 107 CO 0.02 0.26 -0.22 0.40 0.37 0.00 0.00 175.52 176.35 1hgj h ILE 108 N 1.00 1.28 -0.08 3.11 2.04 -1.04 -2.10 117.51 121.71 1hgj h ILE 108 Ca 0.25 -1.38 -0.16 0.00 1.00 0.00 0.00 64.86 64.57 1hgj h ILE 108 Cb 0.10 1.25 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 1hgj h ILE 108 CO -0.03 0.47 -0.64 0.44 0.00 0.00 0.00 178.15 178.38 1hgj h ASP 109 N 0.73 0.37 -0.11 1.72 3.32 -0.91 -1.70 116.42 119.85 1hgj h ASP 109 Ca 0.09 -0.22 0.02 0.00 0.02 0.00 0.00 57.03 56.95 1hgj h ASP 109 Cb 0.80 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.22 1hgj h ASP 109 CO 0.07 0.91 -0.04 0.25 -1.72 0.00 0.00 179.24 178.71 1hgj h LEU 110 N 0.23 -0.14 -0.94 1.55 6.46 -0.64 0.95 115.31 122.79 1hgj h LEU 110 Ca -0.01 0.04 -0.11 0.00 -0.12 0.00 0.00 57.88 57.68 1hgj h LEU 110 Cb 1.18 0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 41.18 1hgj h LEU 110 CO 0.10 -0.06 -0.47 0.71 -0.62 0.00 0.00 178.44 178.11 1hgj h THR 111 N -0.03 1.34 -0.35 1.05 1.35 -1.29 -0.79 112.91 114.19 1hgj h THR 111 Ca 0.06 -1.64 -0.02 0.00 -0.55 0.00 0.00 66.41 64.25 1hgj h THR 111 Cb 0.11 1.81 -0.01 0.00 -1.73 0.00 0.00 68.15 68.33 1hgj h THR 111 CO -0.12 0.48 0.12 -0.78 -0.25 0.00 0.00 175.52 174.97 1hgj h ASP 112 N 0.12 0.50 0.12 5.36 3.58 -0.94 -2.20 116.42 122.95 1hgj h ASP 112 Ca 0.01 -0.19 0.02 0.00 0.42 0.00 0.00 57.03 57.29 1hgj h ASP 112 Cb 0.87 -0.13 -0.04 0.00 1.72 0.00 0.00 39.33 41.75 1hgj h ASP 112 CO 0.07 0.55 -0.37 -1.28 -2.88 0.00 0.00 179.24 175.33 1hgj h SER 113 N 0.41 -1.09 -0.78 2.28 0.87 -0.50 -1.14 113.55 113.60 1hgj h SER 113 Ca 0.11 0.12 0.06 0.00 -1.23 0.00 0.00 61.79 60.85 1hgj h SER 113 Cb 0.23 0.41 -0.05 0.00 -0.44 0.00 0.00 62.40 62.55 1hgj h SER 113 CO -0.01 -0.45 0.51 -0.33 -0.53 0.00 0.00 176.83 176.02 1hgj h GLU 114 N -0.60 0.85 0.05 2.24 4.39 -0.96 0.31 114.58 120.85 1hgj h GLU 114 Ca 0.03 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1hgj h GLU 114 Cb 0.64 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 1hgj h GLU 114 CO -0.22 0.56 -0.06 1.98 -1.16 0.00 0.00 179.01 180.11 1hgj h MET 115 N 0.87 -0.12 -0.25 2.33 4.05 -1.07 -1.31 114.93 119.43 1hgj h MET 115 Ca 0.33 0.01 -0.08 0.00 -0.28 0.00 0.00 59.70 59.68 1hgj h MET 115 Cb 0.18 0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.00 1hgj h MET 115 CO -0.11 -0.08 -0.19 -0.97 0.23 0.00 0.00 176.91 175.79 1hgj h ASN 116 N -0.12 0.43 -0.61 1.39 -1.24 0.08 -1.54 115.58 113.97 1hgj h ASN 116 Ca 0.01 -0.13 -0.08 0.00 0.71 0.00 0.00 56.30 56.81 1hgj h ASN 116 Cb 0.12 -0.12 -0.02 0.00 0.73 0.00 0.00 38.32 39.03 1hgj h ASN 116 CO -0.02 0.64 0.08 0.11 -1.29 0.00 0.00 177.43 176.95 1hgj h LYS 117 N 0.40 1.03 -0.71 6.67 1.57 -0.14 -0.79 116.57 124.60 1hgj h LYS 117 Ca 0.07 -0.28 -0.02 0.00 -1.87 0.00 0.00 60.65 58.54 1hgj h LYS 117 Cb 0.56 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.73 1hgj h LYS 117 CO 0.04 0.97 0.37 1.25 -0.57 0.00 0.00 179.45 181.51 1hgj h LEU 118 N 0.93 0.91 0.45 2.94 5.85 -0.64 -0.57 115.31 125.19 1hgj h LEU 118 Ca 0.18 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 1hgj h LEU 118 Cb 0.45 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.25 1hgj h LEU 118 CO 0.02 0.76 -0.25 0.15 -0.34 0.00 0.00 178.44 178.77 1hgj h PHE 119 N 0.99 -0.65 -0.68 1.25 3.57 -0.86 -1.92 116.94 118.64 1hgj h PHE 119 Ca 0.25 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.82 1hgj h PHE 119 Cb 0.07 0.22 -0.04 0.00 2.79 0.00 0.00 35.95 38.99 1hgj h PHE 119 CO 0.00 -0.39 0.45 0.93 -2.23 0.00 0.00 178.31 177.07 1hgj h GLU 120 N -0.66 0.62 0.01 1.11 4.39 -0.72 -0.68 114.58 118.65 1hgj h GLU 120 Ca -0.06 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.61 1hgj h GLU 120 Cb 0.52 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 1hgj h GLU 120 CO 0.07 0.41 -0.01 -0.22 -1.16 0.00 0.00 179.01 178.11 1hgj h LYS 121 N 0.63 -0.01 -0.81 2.33 3.64 -0.92 -1.85 116.57 119.59 1hgj h LYS 121 Ca 0.30 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.68 1hgj h LYS 121 Cb 0.36 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.15 1hgj h LYS 121 CO -0.10 0.28 0.50 1.15 -2.27 0.00 0.00 179.45 179.00 1hgj h THR 122 N -0.30 1.22 0.21 1.00 2.02 -0.48 -2.62 112.91 113.96 1hgj h THR 122 Ca -0.00 -0.47 0.01 0.00 0.77 0.00 0.00 66.41 66.72 1hgj h THR 122 Cb 0.30 0.08 -0.04 0.00 -1.74 0.00 0.00 68.15 66.75 1hgj h THR 122 CO 0.00 0.23 -0.38 -0.09 0.37 0.00 0.00 175.52 175.65 1hgj h ARG 123 N 1.10 -0.65 -0.99 6.66 2.43 -1.05 -2.21 114.38 119.68 1hgj h ARG 123 Ca 0.29 0.04 0.23 0.00 -0.81 0.00 0.00 59.98 59.73 1hgj h ARG 123 Cb -0.06 0.15 -0.09 0.00 -0.42 0.00 0.00 29.97 29.55 1hgj h ARG 123 CO -0.06 -0.43 0.63 0.00 -1.51 0.00 0.00 179.97 178.60 1hgj h ARG 124 N -0.67 0.49 -0.01 0.20 3.08 -1.19 -2.22 114.38 114.06 1hgj h ARG 124 Ca 0.01 -0.03 -0.19 0.00 0.07 0.00 0.00 59.98 59.83 1hgj h ARG 124 Cb 0.66 -0.11 0.01 0.00 0.08 0.00 0.00 29.97 30.62 1hgj h ARG 124 CO -0.17 0.33 -0.74 0.37 -1.07 0.00 0.00 179.97 178.69 1hgj h GLN 125 N 0.51 0.52 0.00 0.04 4.15 -1.08 -3.15 115.11 116.10 1hgj h GLN 125 Ca 0.56 -0.55 0.00 0.00 0.77 0.00 0.00 58.65 59.43 1hgj h GLN 125 Cb 1.23 0.15 0.00 0.00 0.21 0.00 0.00 27.48 29.07 1hgj h GLN 125 CO -0.29 1.18 0.00 -0.07 -1.93 0.00 0.00 178.83 177.72 1hgj h LEU 126 N 0.08 0.00 0.00 -2.39 3.38 -0.81 -3.42 115.31 112.16 1hgj h LEU 126 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1hgj h LEU 126 Cb 1.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.18 1hgj h LEU 126 CO 0.15 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.22 1hgj n ARG 127 N -2.30 0.00 -0.10 1.13 5.12 -1.07 -1.51 116.66 117.92 1hgj n ARG 127 Ca 0.02 0.00 0.02 0.00 -1.93 0.00 0.00 57.85 55.96 1hgj n ARG 127 Cb 0.21 0.00 0.07 0.00 -1.16 0.00 0.00 32.46 31.59 1hgj n ARG 127 CO 0.00 0.00 0.00 -1.91 -1.93 0.00 0.00 177.63 173.79 1hgj n GLU 128 N 14.00 1.46 0.00 5.56 4.07 -1.26 -3.94 120.64 140.53 1hgj n GLU 128 Ca 0.00 -0.60 0.11 0.00 -0.06 0.00 0.00 57.16 56.61 1hgj n GLU 128 Cb 0.00 -1.22 0.03 0.00 -0.06 0.00 0.00 31.44 30.19 1hgj n GLU 128 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1hgj n ASN 129 N 0.00 2.31 -4.05 4.31 3.02 -0.57 -4.68 115.26 115.61 1hgj n ASN 129 Ca 0.06 -1.66 -0.07 0.00 -0.03 0.00 0.00 54.58 52.88 1hgj n ASN 129 Cb 0.19 0.31 -0.09 0.00 -0.61 0.00 0.00 39.78 39.58 1hgj n ASN 129 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1hgj s ALA 130 N -2.24 0.38 0.10 5.41 0.00 -1.25 -1.31 121.76 122.85 1hgj s ALA 130 Ca 0.21 -1.11 0.08 0.00 0.00 0.00 0.00 51.96 51.15 1hgj s ALA 130 Cb 0.18 0.32 -0.03 0.00 0.00 0.00 0.00 23.12 23.59 1hgj s ALA 130 CO 0.46 -0.40 -0.21 -1.21 0.00 0.00 0.00 175.76 174.40 1hgj s GLU 131 N -3.91 1.15 -0.25 0.00 2.02 -0.38 -4.94 118.70 112.39 1hgj s GLU 131 Ca 0.07 -1.16 -0.26 0.00 0.02 0.00 0.00 54.97 53.64 1hgj s GLU 131 Cb 0.07 -1.43 0.00 0.00 0.10 0.00 0.00 34.13 32.88 1hgj s GLU 131 CO -0.10 0.33 0.89 -2.00 0.02 0.00 0.00 175.26 174.41 1hgj s GLU 132 N -1.88 4.17 0.00 1.61 2.12 -1.26 -0.52 118.70 122.93 1hgj s GLU 132 Ca 0.07 1.01 0.23 0.00 0.36 0.00 0.00 54.97 56.64 1hgj s GLU 132 Cb -0.10 -3.66 1.09 0.00 0.26 0.00 0.00 34.13 31.72 1hgj s GLU 132 CO 0.04 -0.59 1.76 -1.33 -0.54 0.00 0.00 175.26 174.60 1hgj n MET 133 N 6.16 0.16 -0.42 4.30 2.81 0.11 -4.90 117.12 125.34 1hgj n MET 133 Ca 0.07 0.08 0.00 0.00 -1.81 0.00 0.00 57.70 56.05 1hgj n MET 133 Cb 0.47 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.48 1hgj n MET 133 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1hgj n GLY 134 N 0.81 1.02 0.72 3.03 0.00 -1.26 -4.85 105.19 104.67 1hgj n GLY 134 Ca 0.08 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.15 1hgj n GLY 134 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1hgj n ASN 135 N 0.00 2.64 0.00 1.61 6.94 -1.26 -4.88 115.26 120.31 1hgj n ASN 135 Ca 0.00 -3.45 0.00 0.00 -0.02 0.00 0.00 54.58 51.11 1hgj n ASN 135 Cb 0.00 -0.54 0.00 0.00 -2.36 0.00 0.00 39.78 36.88 1hgj n ASN 135 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1hgj n GLY 136 N -1.05 0.76 3.57 4.83 0.00 -1.26 -4.62 105.19 107.42 1hgj n GLY 136 Ca 0.23 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.92 1hgj n GLY 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hgj s PHE 138 N -0.55 3.66 -0.40 0.00 0.08 -1.26 -0.72 117.98 118.79 1hgj s PHE 138 Ca 0.08 0.76 -0.19 0.00 0.12 0.00 0.00 56.93 57.71 1hgj s PHE 138 Cb -0.12 -2.11 0.01 0.00 -0.57 0.00 0.00 43.02 40.23 1hgj s PHE 138 CO 0.02 0.67 0.52 0.21 -0.10 0.00 0.00 175.22 176.55 1hgj s LYS 139 N -1.17 3.33 -0.38 0.44 2.47 0.32 -4.91 119.74 119.85 1hgj s LYS 139 Ca 0.21 -0.45 -0.23 0.00 -1.56 0.00 0.00 55.97 53.95 1hgj s LYS 139 Cb -0.14 -3.91 0.01 0.00 -1.46 0.00 0.00 37.83 32.33 1hgj s LYS 139 CO 0.10 -0.83 0.75 0.42 0.16 0.00 0.00 175.35 175.95 1hgj s ILE 140 N 2.43 4.76 -0.17 5.43 1.01 -1.26 -1.25 121.20 132.15 1hgj s ILE 140 Ca 0.17 0.74 -0.03 0.00 0.00 0.00 0.00 60.65 61.53 1hgj s ILE 140 Cb -0.16 -4.20 -0.04 0.00 0.01 0.00 0.00 42.46 38.08 1hgj s ILE 140 CO 0.15 -0.45 2.76 -1.22 0.00 0.00 0.00 174.94 176.18 1hgj n TYR 141 N 6.38 0.66 -3.54 3.97 4.02 -0.43 -4.82 117.16 123.40 1hgj n TYR 141 Ca 0.02 -1.58 -0.11 0.00 -0.01 0.00 0.00 57.90 56.22 1hgj n TYR 141 Cb 0.48 -1.18 -0.03 0.00 -0.02 0.00 0.00 39.34 38.60 1hgj n TYR 141 CO 0.00 0.00 0.00 -3.38 -1.01 0.00 0.00 176.86 172.47 1hgj s HIS 142 N -0.39 -0.38 -0.05 -0.72 -3.43 -1.26 -3.63 115.29 105.43 1hgj s HIS 142 Ca 0.43 0.12 -0.30 0.00 -0.80 0.00 0.00 55.06 54.51 1hgj s HIS 142 Cb 0.25 0.47 -0.06 0.00 -1.43 0.00 0.00 32.58 31.81 1hgj s HIS 142 CO -0.05 -0.84 1.68 0.21 -2.00 0.00 0.00 174.74 173.74 1hgj s LYS 143 N -3.79 4.16 -0.34 -0.38 2.20 -1.26 -4.95 119.74 115.39 1hgj s LYS 143 Ca 0.03 2.21 -0.00 0.00 -0.36 0.00 0.00 55.97 57.85 1hgj s LYS 143 Cb -0.01 -4.00 0.11 0.00 -1.51 0.00 0.00 37.83 32.42 1hgj s LYS 143 CO -0.10 -0.87 0.13 0.00 -0.36 0.00 0.00 175.35 174.14 1hgj n ASP 145 N 4.57 -1.29 0.02 0.00 5.68 -1.26 -3.54 116.55 120.73 1hgj n ASP 145 Ca 0.01 -1.17 0.08 0.00 -0.50 0.00 0.00 54.79 53.21 1hgj n ASP 145 Cb 0.40 -0.85 0.51 0.00 -1.14 0.00 0.00 41.12 40.04 1hgj n ASP 145 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 1hgj h ASN 146 N -2.14 0.32 0.65 -1.12 2.35 -1.96 -0.14 115.58 113.54 1hgj h ASN 146 Ca -0.35 -0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.22 1hgj h ASN 146 Cb 1.03 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 39.32 1hgj h ASN 146 CO 0.23 0.22 -0.83 0.00 -1.65 0.00 0.00 177.43 175.40 1hgj h ALA 147 N 1.78 0.61 -0.03 -0.83 0.00 -1.98 -0.45 119.26 118.35 1hgj h ALA 147 Ca 0.17 -0.71 -0.00 0.00 0.00 0.00 0.00 54.91 54.37 1hgj h ALA 147 Cb 0.21 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1hgj h ALA 147 CO -0.04 0.93 0.01 0.00 0.00 0.00 0.00 179.25 180.15 1hgj h ILE 149 N -0.14 1.12 -0.69 0.00 1.08 -0.88 -0.88 117.51 117.13 1hgj h ILE 149 Ca 0.01 -0.41 -0.05 0.00 -0.39 0.00 0.00 64.86 64.03 1hgj h ILE 149 Cb 0.20 -0.16 -0.03 0.00 -3.07 0.00 0.00 36.82 33.76 1hgj h ILE 149 CO -0.00 0.22 0.25 -0.08 -0.69 0.00 0.00 178.15 177.85 1hgj h GLU 150 N 1.19 1.05 -0.20 2.37 4.22 -0.79 -2.25 114.58 120.17 1hgj h GLU 150 Ca 0.41 -0.21 -0.07 0.00 0.08 0.00 0.00 59.36 59.57 1hgj h GLU 150 Cb 0.09 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1hgj h GLU 150 CO -0.14 0.89 -0.17 0.66 -2.18 0.00 0.00 179.01 178.06 1hgj h SER 151 N 0.99 0.33 -0.09 1.04 4.64 0.36 0.14 113.55 120.96 1hgj h SER 151 Ca 0.23 -0.09 -0.01 0.00 -0.47 0.00 0.00 61.79 61.45 1hgj h SER 151 Cb 0.25 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1hgj h SER 151 CO -0.01 0.53 0.03 0.40 -0.87 0.00 0.00 176.83 176.90 1hgj h ILE 152 N 0.32 1.18 0.24 0.95 2.04 -1.02 0.33 117.51 121.54 1hgj h ILE 152 Ca 0.06 -0.56 -0.01 0.00 1.00 0.00 0.00 64.86 65.35 1hgj h ILE 152 Cb 0.50 1.38 0.00 0.00 -0.74 0.00 0.00 36.82 37.96 1hgj h ILE 152 CO 0.03 0.16 -0.12 0.03 0.00 0.00 0.00 178.15 178.26 1hgj h ARG 153 N -0.04 -0.31 0.00 2.37 3.08 -0.99 -2.46 114.38 116.03 1hgj h ARG 153 Ca 0.03 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1hgj h ARG 153 Cb 0.23 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1hgj h ARG 153 CO -0.00 -0.14 0.00 0.27 -1.07 0.00 0.00 179.97 179.03 1hgj n ASN 154 N -5.19 0.00 -0.14 7.04 0.23 0.45 -4.89 115.26 112.76 1hgj n ASN 154 Ca -0.09 -1.53 -0.01 0.00 -0.53 0.00 0.00 54.58 52.41 1hgj n ASN 154 Cb 0.18 0.00 -0.00 0.00 -2.08 0.00 0.00 39.78 37.87 1hgj n ASN 154 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1hgj n GLY 155 N 0.72 0.40 0.52 4.83 0.00 -0.44 -4.93 105.19 106.29 1hgj n GLY 155 Ca 0.11 -0.93 0.05 0.00 0.00 0.00 0.00 46.02 45.25 1hgj n GLY 155 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1hgj n THR 156 N -3.47 1.23 -1.90 2.61 -2.24 0.10 -5.01 114.28 105.60 1hgj n THR 156 Ca -0.02 -1.18 -0.42 0.00 -2.27 0.00 0.00 64.05 60.16 1hgj n THR 156 Cb 0.27 0.36 -0.03 0.00 -2.10 0.00 0.00 70.33 68.83 1hgj n THR 156 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1hgj s TYR 157 N -1.35 2.95 -0.39 4.78 6.14 -0.81 -4.92 117.35 123.75 1hgj s TYR 157 Ca 0.22 0.54 -0.14 0.00 0.64 0.00 0.00 57.07 58.32 1hgj s TYR 157 Cb 0.14 -3.96 0.01 0.00 0.42 0.00 0.00 41.96 38.56 1hgj s TYR 157 CO 0.11 -3.61 0.28 0.34 0.64 0.00 0.00 175.55 173.30 1hgj s ASP 158 N 1.34 6.07 0.30 4.32 -1.08 -1.26 -4.95 116.67 121.42 1hgj s ASP 158 Ca 0.71 -0.76 0.07 0.00 -0.52 0.00 0.00 52.55 52.05 1hgj s ASP 158 Cb -0.44 -2.15 0.48 0.00 -1.46 0.00 0.00 42.92 39.36 1hgj s ASP 158 CO 0.32 -0.38 1.72 1.12 0.52 0.00 0.00 175.17 178.47 1hgj h HIS 159 N 8.58 0.29 -0.98 -5.34 2.07 -1.92 -3.00 115.15 114.84 1hgj h HIS 159 Ca -0.28 -0.07 0.01 0.00 -2.85 0.00 0.00 60.37 57.18 1hgj h HIS 159 Cb 1.13 -0.07 -0.05 0.00 2.57 0.00 0.00 27.41 31.00 1hgj h HIS 159 CO 0.59 0.60 0.65 -0.44 -3.07 0.00 0.00 177.93 176.25 1hgj h ASP 160 N 0.21 1.12 -1.01 3.10 3.32 -1.96 -0.57 116.42 120.63 1hgj h ASP 160 Ca 0.02 -0.03 0.27 0.00 0.02 0.00 0.00 57.03 57.32 1hgj h ASP 160 Cb 0.77 -0.28 -0.07 0.00 0.22 0.00 0.00 39.33 39.98 1hgj h ASP 160 CO 0.06 0.80 0.69 0.58 -1.72 0.00 0.00 179.24 179.65 1hgj h VAL 161 N 1.32 0.53 -0.05 -1.35 2.07 -1.96 -1.55 116.25 115.26 1hgj h VAL 161 Ca 0.37 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.81 1hgj h VAL 161 Cb -0.13 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 29.94 1hgj h VAL 161 CO -0.09 0.04 0.00 -1.22 0.02 0.00 0.00 177.57 176.32 1hgj n TYR 162 N -4.42 0.07 -0.02 1.57 4.02 -0.35 -4.82 117.16 113.21 1hgj n TYR 162 Ca 0.23 -0.32 -0.09 0.00 -0.01 0.00 0.00 57.90 57.70 1hgj n TYR 162 Cb 0.94 -0.03 -0.04 0.00 -0.02 0.00 0.00 39.34 40.19 1hgj n TYR 162 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 1hgj h ARG 163 N 0.48 -0.00 -0.42 -0.72 2.43 -0.13 0.39 114.38 116.41 1hgj h ARG 163 Ca 0.00 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.09 1hgj h ARG 163 Cb 0.39 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.92 1hgj h ARG 163 CO 0.00 -0.00 -0.08 -0.44 -1.51 0.00 0.00 179.97 177.94 1hgj h ASP 164 N -0.00 0.71 0.13 -3.80 3.32 -1.88 0.21 116.42 115.11 1hgj h ASP 164 Ca 0.07 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 1hgj h ASP 164 Cb 0.11 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.47 1hgj h ASP 164 CO -0.15 0.83 -0.06 -0.08 -1.72 0.00 0.00 179.24 178.06 1hgj h GLU 165 N 0.67 -0.17 -0.21 3.56 4.81 -1.78 -1.42 114.58 120.04 1hgj h GLU 165 Ca 0.12 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.35 1hgj h GLU 165 Cb 0.53 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 1hgj h GLU 165 CO 0.03 -0.04 0.07 0.00 -0.73 0.00 0.00 179.01 178.34 1hgj h ALA 166 N 0.61 0.27 -0.46 2.92 0.00 -0.64 -2.13 119.26 119.84 1hgj h ALA 166 Ca -0.02 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1hgj h ALA 166 Cb 0.20 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1hgj h ALA 166 CO 0.03 -0.12 0.17 -0.07 0.00 0.00 0.00 179.25 179.26 1hgj h LEU 167 N 0.17 0.59 0.40 0.00 3.38 -0.53 0.73 115.31 120.05 1hgj h LEU 167 Ca 0.07 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1hgj h LEU 167 Cb 0.21 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1hgj h LEU 167 CO -0.00 0.55 -0.19 -1.13 0.09 0.00 0.00 178.44 177.75 1hgj h ASN 168 N 0.65 -0.45 -0.86 -0.43 -0.73 -1.07 -0.66 115.58 112.03 1hgj h ASN 168 Ca 0.16 -0.06 0.07 0.00 1.87 0.00 0.00 56.30 58.34 1hgj h ASN 168 Cb 0.15 0.12 -0.06 0.00 0.27 0.00 0.00 38.32 38.80 1hgj h ASN 168 CO -0.01 -0.21 0.56 0.78 -0.37 0.00 0.00 177.43 178.17 1hgj h ASN 169 N -0.67 0.81 0.20 1.15 2.35 -0.84 -2.71 115.58 115.87 1hgj h ASN 169 Ca -0.05 0.01 -0.34 0.00 -0.55 0.00 0.00 56.30 55.36 1hgj h ASN 169 Cb 0.48 -0.16 0.02 0.00 0.05 0.00 0.00 38.32 38.71 1hgj h ASN 169 CO 0.09 0.51 -1.65 -0.09 -1.65 0.00 0.00 177.43 174.64 1hgj h ARG 170 N 0.92 0.43 0.00 0.81 2.43 -0.77 -3.43 114.38 114.76 1hgj h ARG 170 Ca 0.38 -0.73 0.00 0.00 -0.81 0.00 0.00 59.98 58.81 1hgj h ARG 170 Cb 0.28 0.27 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 1hgj h ARG 170 CO -0.14 1.35 0.00 1.19 -1.51 0.00 0.00 179.97 180.86 1hgj n PHE 171 N -3.65 0.00 0.00 2.20 3.72 -0.26 -4.86 117.46 114.60 1hgj n PHE 171 Ca -0.23 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.17 1hgj n PHE 171 Cb 1.07 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.61 1hgj n PHE 171 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1hgj n GLN 172 N -1.91 0.00 0.00 -1.08 6.02 -1.03 -4.49 117.38 114.89 1hgj n GLN 172 Ca 0.00 0.26 0.00 0.00 -0.01 0.00 0.00 57.00 57.25 1hgj n GLN 172 Cb 0.00 -0.40 0.00 0.00 1.02 0.00 0.00 30.24 30.86 1hgj n GLN 172 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 1hgj n ILE 173 N -2.01 0.00 -1.75 5.09 2.08 -1.25 -2.89 119.36 118.62 1hgj n ILE 173 Ca 0.00 0.00 -0.03 0.00 0.56 0.00 0.00 62.75 63.28 1hgj n ILE 173 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 39.64 38.86 1hgj n ILE 173 CO 0.00 0.00 0.00 2.29 0.56 0.00 0.00 176.55 179.40 1hgj n LYS 174 N 0.00 0.00 0.00 0.38 2.85 -1.26 -5.20 118.16 114.93 1hgj n LYS 174 Ca 0.00 -0.37 0.00 0.00 -1.05 0.00 0.00 58.31 56.89 1hgj n LYS 174 Cb 0.00 0.28 0.00 0.00 -0.65 0.00 0.00 35.03 34.66 1hgj n LYS 174 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76