#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vhj s THR 3 N 0.00 3.92 0.24 0.00 -4.23 -1.01 -5.04 115.64 109.53 1vhj s THR 3 Ca 0.00 -1.18 -0.06 0.00 -1.18 0.00 0.00 61.69 59.27 1vhj s THR 3 Cb 0.00 -3.34 0.22 0.00 1.34 0.00 0.00 72.50 70.72 1vhj s THR 3 CO 0.00 -0.18 1.86 -0.65 -0.54 0.00 0.00 174.62 175.10 1vhj h PRO 4 N 1.10 0.98 0.00 3.99 0.11 -2.02 -3.11 132.00 133.05 1vhj h PRO 4 Ca -0.46 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1vhj h PRO 4 Cb 1.25 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1vhj h PRO 4 CO 0.56 0.65 -1.23 0.72 -0.21 0.00 0.00 178.00 178.49 1vhj n HIS 5 N -4.60 0.00 -3.99 0.65 8.25 -1.26 -4.88 115.22 109.40 1vhj n HIS 5 Ca 0.12 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.28 1vhj n HIS 5 Cb 0.16 -0.13 -0.16 0.00 1.12 0.00 0.00 29.99 30.98 1vhj n HIS 5 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1vhj s ILE 6 N -3.12 1.58 -1.25 1.59 1.01 -1.17 -4.59 121.20 115.25 1vhj s ILE 6 Ca 0.04 -0.92 -0.06 0.00 0.00 0.00 0.00 60.65 59.72 1vhj s ILE 6 Cb 0.16 -1.64 0.18 0.00 0.01 0.00 0.00 42.46 41.16 1vhj s ILE 6 CO 0.88 0.21 2.08 -0.46 0.00 0.00 0.00 174.94 177.65 1vhj n ASN 7 N 4.71 6.95 -4.01 3.58 6.94 -1.26 -2.39 115.26 129.78 1vhj n ASN 7 Ca -0.15 -3.23 -0.24 0.00 -0.02 0.00 0.00 54.58 50.94 1vhj n ASN 7 Cb 0.47 -1.36 -0.08 0.00 -2.36 0.00 0.00 39.78 36.45 1vhj n ASN 7 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1vhj s ALA 8 N -1.29 2.63 0.21 -2.53 0.00 -1.26 -4.58 121.76 114.94 1vhj s ALA 8 Ca 0.46 -1.44 0.10 0.00 0.00 0.00 0.00 51.96 51.07 1vhj s ALA 8 Cb 0.15 0.90 -0.04 0.00 0.00 0.00 0.00 23.12 24.12 1vhj s ALA 8 CO -0.05 -0.40 -0.12 -0.65 0.00 0.00 0.00 175.76 174.53 1vhj s GLN 9 N -3.70 1.94 0.20 0.00 -0.21 -1.26 -0.31 119.66 116.32 1vhj s GLN 9 Ca 0.28 -1.40 -0.33 0.00 0.02 0.00 0.00 55.36 53.94 1vhj s GLN 9 Cb 0.03 -2.05 -0.14 0.00 1.00 0.00 0.00 33.01 31.84 1vhj s GLN 9 CO 0.17 0.41 1.38 -0.12 -2.12 0.00 0.00 175.29 175.00 1vhj n MET 10 N -0.12 1.78 0.00 2.91 0.00 -1.26 -1.16 117.12 119.27 1vhj n MET 10 Ca -0.10 0.64 0.00 0.00 -0.00 0.00 0.00 57.70 58.24 1vhj n MET 10 Cb 0.57 -2.28 0.00 0.00 0.00 0.00 0.00 33.22 31.51 1vhj n MET 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1vhj n GLY 11 N 2.39 0.50 0.15 -5.12 0.00 -1.26 -4.92 105.19 96.93 1vhj n GLY 11 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1vhj n GLY 11 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1vhj h ASP 12 N 0.00 0.00 -2.89 1.61 3.32 -1.51 -3.43 116.42 113.51 1vhj h ASP 12 Ca 0.00 0.00 -0.62 0.00 0.02 0.00 0.00 57.03 56.43 1vhj h ASP 12 Cb 0.00 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.51 1vhj h ASP 12 CO 0.00 0.57 -0.48 -0.36 -1.72 0.00 0.00 179.24 177.25 1vhj s PHE 13 N -3.57 3.53 1.03 4.55 0.40 -1.26 -4.67 117.98 117.99 1vhj s PHE 13 Ca -0.01 0.31 -0.16 0.00 -0.60 0.00 0.00 56.93 56.48 1vhj s PHE 13 Cb 0.12 -1.80 0.21 0.00 0.51 0.00 0.00 43.02 42.06 1vhj s PHE 13 CO 0.75 0.60 1.18 0.00 0.70 0.00 0.00 175.22 178.44 1vhj s ALA 14 N -1.45 1.44 -0.97 5.36 0.00 -1.26 -4.95 121.76 119.93 1vhj s ALA 14 Ca 0.33 -0.86 0.24 0.00 0.00 0.00 0.00 51.96 51.67 1vhj s ALA 14 Cb -0.13 -2.91 1.01 0.00 0.00 0.00 0.00 23.12 21.09 1vhj s ALA 14 CO 0.24 -2.83 1.77 -0.40 0.00 0.00 0.00 175.76 174.54 1vhj n ASP 15 N -4.15 0.07 -4.11 0.00 3.85 -1.26 -4.60 116.55 106.35 1vhj n ASP 15 Ca 0.11 0.51 -0.27 0.00 -0.71 0.00 0.00 54.79 54.43 1vhj n ASP 15 Cb 0.59 -0.53 -0.16 0.00 -1.35 0.00 0.00 41.12 39.67 1vhj n ASP 15 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1vhj s VAL 16 N -3.02 1.47 -0.08 2.12 0.11 -1.26 -0.76 120.40 118.99 1vhj s VAL 16 Ca 0.11 -0.70 0.02 0.00 -2.93 0.00 0.00 61.98 58.48 1vhj s VAL 16 Cb 0.15 -1.29 0.01 0.00 -1.53 0.00 0.00 36.38 33.73 1vhj s VAL 16 CO 0.45 0.43 -0.12 -0.69 -3.33 0.00 0.00 175.10 171.83 1vhj s VAL 17 N 0.37 1.20 0.07 2.04 1.01 -0.58 -2.26 120.40 122.25 1vhj s VAL 17 Ca -0.12 -0.49 -0.20 0.00 0.00 0.00 0.00 61.98 61.18 1vhj s VAL 17 Cb -0.15 -1.11 -0.07 0.00 0.00 0.00 0.00 36.38 35.05 1vhj s VAL 17 CO 0.04 0.38 0.58 -0.76 0.00 0.00 0.00 175.10 175.34 1vhj s LEU 18 N 0.88 4.53 -0.24 3.92 1.02 0.42 -1.27 118.68 127.93 1vhj s LEU 18 Ca -0.10 1.27 -0.04 0.00 0.02 0.00 0.00 54.13 55.28 1vhj s LEU 18 Cb -0.15 -2.91 0.08 0.00 0.02 0.00 0.00 46.19 43.23 1vhj s LEU 18 CO 0.01 0.27 0.10 -0.04 0.02 0.00 0.00 176.35 176.71 1vhj s MET 19 N -1.08 0.26 0.56 1.70 -1.94 0.13 -1.21 119.30 117.72 1vhj s MET 19 Ca 0.29 -0.43 -0.05 0.00 -1.71 0.00 0.00 55.69 53.80 1vhj s MET 19 Cb -0.20 -1.59 0.01 0.00 2.01 0.00 0.00 34.83 35.06 1vhj s MET 19 CO 0.19 -0.86 0.85 -1.25 -0.01 0.00 0.00 175.02 173.95 1vhj s PRO 20 N 2.03 2.96 0.03 2.03 0.04 -1.24 -1.82 135.00 139.02 1vhj s PRO 20 Ca 0.06 -0.11 -0.19 0.00 0.04 0.00 0.00 61.00 60.80 1vhj s PRO 20 Cb -0.16 -2.33 -0.19 0.00 0.04 0.00 0.00 34.50 31.86 1vhj s PRO 20 CO -0.23 -0.61 1.21 0.78 0.04 0.00 0.00 177.00 178.19 1vhj h GLY 21 N -0.05 0.48 -4.73 0.56 0.00 -1.82 -2.27 103.07 95.23 1vhj h GLY 21 Ca -0.45 -0.67 -0.56 0.00 0.00 0.00 0.00 47.33 45.64 1vhj h GLY 21 CO 0.60 0.60 0.53 -0.35 0.00 0.00 0.00 176.54 177.92 1vhj s ASP 22 N -6.54 7.24 0.53 0.19 -1.08 -1.26 -1.56 116.67 114.18 1vhj s ASP 22 Ca -0.13 1.52 0.28 0.00 -0.52 0.00 0.00 52.55 53.69 1vhj s ASP 22 Cb 0.05 -2.55 1.48 0.00 -1.46 0.00 0.00 42.92 40.43 1vhj s ASP 22 CO 0.80 -0.42 2.08 1.55 0.52 0.00 0.00 175.17 179.70 1vhj h PRO 23 N 7.08 0.00 0.00 4.34 0.13 -1.87 -0.87 132.00 140.81 1vhj h PRO 23 Ca -0.32 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.68 1vhj h PRO 23 Cb 1.15 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.26 1vhj h PRO 23 CO 0.84 0.11 -0.62 -0.07 -0.23 0.00 0.00 178.00 178.04 1vhj h LEU 24 N 0.00 0.00 -0.82 1.56 3.38 -1.92 -2.32 115.31 115.19 1vhj h LEU 24 Ca -0.00 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 1vhj h LEU 24 Cb 0.32 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1vhj h LEU 24 CO 0.01 0.62 -0.58 0.03 0.09 0.00 0.00 178.44 178.61 1vhj h ARG 25 N 0.00 0.00 -0.61 1.13 3.08 -1.57 -0.06 114.38 116.35 1vhj h ARG 25 Ca -0.01 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 1vhj h ARG 25 Cb 1.21 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.23 1vhj h ARG 25 CO 0.08 0.58 0.08 0.00 -1.07 0.00 0.00 179.97 179.65 1vhj h ALA 26 N 1.42 0.99 -0.36 0.04 0.00 -1.20 -0.25 119.26 119.90 1vhj h ALA 26 Ca -0.01 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 1vhj h ALA 26 Cb 1.04 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1vhj h ALA 26 CO 0.08 0.63 0.04 -0.22 0.00 0.00 0.00 179.25 179.78 1vhj h LYS 27 N 0.94 0.62 -0.44 0.00 3.64 -0.82 -1.06 116.57 119.44 1vhj h LYS 27 Ca 0.19 -0.18 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1vhj h LYS 27 Cb 0.43 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 1vhj h LYS 27 CO 0.01 0.70 0.27 -0.92 -2.27 0.00 0.00 179.45 177.24 1vhj h TYR 28 N 0.45 0.57 0.07 1.91 5.03 -0.71 -1.05 116.97 123.24 1vhj h TYR 28 Ca 0.11 -0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.41 1vhj h TYR 28 Cb 0.40 -0.19 0.00 0.00 1.55 0.00 0.00 36.73 38.49 1vhj h TYR 28 CO 0.03 0.40 -0.03 0.82 -1.32 0.00 0.00 178.16 178.06 1vhj h ILE 29 N 0.58 1.09 -0.74 1.81 2.04 -0.98 -1.06 117.51 120.25 1vhj h ILE 29 Ca 0.16 -0.56 0.05 0.00 1.00 0.00 0.00 64.86 65.51 1vhj h ILE 29 Cb -0.01 1.46 -0.04 0.00 -0.74 0.00 0.00 36.82 37.48 1vhj h ILE 29 CO -0.03 0.14 0.49 0.00 0.00 0.00 0.00 178.15 178.75 1vhj h ALA 30 N 0.57 1.62 0.03 1.87 0.00 -1.09 0.25 119.26 122.51 1vhj h ALA 30 Ca -0.01 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.71 1vhj h ALA 30 Cb 0.30 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.87 1vhj h ALA 30 CO 0.02 0.29 -0.66 0.93 0.00 0.00 0.00 179.25 179.82 1vhj h GLU 31 N 0.85 0.39 0.00 0.00 5.08 -1.15 -3.20 114.58 116.55 1vhj h GLU 31 Ca 0.31 -0.46 -0.12 0.00 -1.00 0.00 0.00 59.36 58.09 1vhj h GLU 31 Cb 0.14 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 1vhj h GLU 31 CO -0.10 1.14 -1.21 -0.91 -1.00 0.00 0.00 179.01 176.93 1vhj h ASN 32 N -0.15 0.00 0.00 1.42 2.35 -1.00 -3.41 115.58 114.79 1vhj h ASN 32 Ca -0.09 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 1vhj h ASN 32 Cb 1.40 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.77 1vhj h ASN 32 CO 0.13 0.41 -1.01 0.49 -1.65 0.00 0.00 177.43 175.80 1vhj n PHE 33 N -2.86 0.00 -4.07 1.19 3.01 0.87 -5.04 117.46 110.56 1vhj n PHE 33 Ca -0.06 0.00 -0.22 0.00 1.01 0.00 0.00 57.45 58.18 1vhj n PHE 33 Cb 0.75 -0.05 -0.04 0.00 -0.01 0.00 0.00 39.48 40.13 1vhj n PHE 33 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1vhj s LEU 34 N -3.06 3.97 -0.12 4.37 1.43 -1.18 -4.85 118.68 119.24 1vhj s LEU 34 Ca -0.01 -0.14 -0.04 0.00 -1.03 0.00 0.00 54.13 52.92 1vhj s LEU 34 Cb 0.02 -2.52 -0.04 0.00 0.03 0.00 0.00 46.19 43.69 1vhj s LEU 34 CO 0.11 -0.03 0.04 -1.81 0.23 0.00 0.00 176.35 174.88 1vhj s ASP 35 N -3.79 5.52 -1.38 2.29 1.01 0.46 -4.59 116.67 116.18 1vhj s ASP 35 Ca 0.33 0.18 -0.05 0.00 0.71 0.00 0.00 52.55 53.72 1vhj s ASP 35 Cb -0.08 -1.71 0.03 0.00 1.01 0.00 0.00 42.92 42.16 1vhj s ASP 35 CO 0.26 0.33 0.85 0.59 0.21 0.00 0.00 175.17 177.41 1vhj n ASN 36 N 2.48 -2.80 -4.72 0.27 3.02 -1.26 -1.37 115.26 110.88 1vhj n ASN 36 Ca -0.18 -0.77 -0.42 0.00 -0.03 0.00 0.00 54.58 53.17 1vhj n ASN 36 Cb 0.54 -4.14 -0.03 0.00 -0.61 0.00 0.00 39.78 35.53 1vhj n ASN 36 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1vhj s ALA 37 N -3.50 3.37 -0.04 5.41 0.00 -1.26 -4.55 121.76 121.18 1vhj s ALA 37 Ca 0.26 0.82 0.05 0.00 0.00 0.00 0.00 51.96 53.10 1vhj s ALA 37 Cb -0.13 -3.42 -0.02 0.00 0.00 0.00 0.00 23.12 19.55 1vhj s ALA 37 CO 0.81 -0.37 -0.19 0.54 0.00 0.00 0.00 175.76 176.54 1vhj s VAL 38 N 0.78 2.61 0.10 0.00 0.11 0.02 -4.93 120.40 119.09 1vhj s VAL 38 Ca 0.56 -0.89 -0.30 0.00 -2.93 0.00 0.00 61.98 58.42 1vhj s VAL 38 Cb -0.29 -1.98 -0.06 0.00 -1.53 0.00 0.00 36.38 32.52 1vhj s VAL 38 CO 0.30 0.58 1.12 -1.58 -3.33 0.00 0.00 175.10 172.19 1vhj s GLN 39 N -0.57 4.53 0.00 1.54 0.74 -1.26 -1.18 119.66 123.46 1vhj s GLN 39 Ca 0.08 1.68 0.05 0.00 0.05 0.00 0.00 55.36 57.22 1vhj s GLN 39 Cb -0.11 -3.33 0.01 0.00 1.10 0.00 0.00 33.01 30.68 1vhj s GLN 39 CO 0.01 -0.07 0.50 1.33 -0.55 0.00 0.00 175.29 176.51 1vhj n VAL 40 N 3.22 0.00 -3.54 1.34 0.24 0.68 -4.93 118.33 115.33 1vhj n VAL 40 Ca 0.06 -0.47 -0.09 0.00 -2.04 0.00 0.00 64.34 61.79 1vhj n VAL 40 Cb 0.47 1.07 -0.04 0.00 -1.47 0.00 0.00 33.84 33.87 1vhj n VAL 40 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1vhj n ASP 42 N 0.26 0.00 -4.68 0.00 3.85 -1.25 -2.68 116.55 112.05 1vhj n ASP 42 Ca -0.09 -1.14 -0.45 0.00 -0.71 0.00 0.00 54.79 52.40 1vhj n ASP 42 Cb 0.60 -0.03 -0.04 0.00 -1.35 0.00 0.00 41.12 40.30 1vhj n ASP 42 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.20 176.71 1vhj n VAL 43 N 0.00 0.05 -2.09 2.12 0.31 -1.26 -1.16 118.33 116.29 1vhj n VAL 43 Ca 0.00 -0.01 -0.20 0.00 -0.01 0.00 0.00 64.34 64.12 1vhj n VAL 43 Cb 0.53 -1.66 -0.04 0.00 -0.91 0.00 0.00 33.84 31.76 1vhj n VAL 43 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1vhj n ARG 44 N 3.78 -1.53 -1.38 5.55 1.74 -1.26 -1.22 116.66 122.34 1vhj n ARG 44 Ca 0.17 1.06 -0.13 0.00 -0.77 0.00 0.00 57.85 58.18 1vhj n ARG 44 Cb 0.30 -5.58 -0.06 0.00 -1.02 0.00 0.00 32.46 26.11 1vhj n ARG 44 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1vhj n ASN 45 N -1.62 -4.73 -4.35 0.55 3.02 -0.31 -4.93 115.26 102.89 1vhj n ASN 45 Ca -0.22 0.32 -0.46 0.00 -0.03 0.00 0.00 54.58 54.19 1vhj n ASN 45 Cb 0.67 -3.38 -0.03 0.00 -0.61 0.00 0.00 39.78 36.43 1vhj n ASN 45 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 1vhj s MET 46 N -3.06 3.42 0.13 3.52 1.75 -0.36 -4.81 119.30 119.89 1vhj s MET 46 Ca 0.00 -2.06 -0.30 0.00 -1.25 0.00 0.00 55.69 52.07 1vhj s MET 46 Cb 0.00 -4.46 -0.07 0.00 2.84 0.00 0.00 34.83 33.14 1vhj s MET 46 CO 0.00 -1.41 1.24 -0.06 -0.65 0.00 0.00 175.02 174.14 1vhj s PHE 47 N 1.15 3.39 -0.04 4.11 2.99 -1.26 -3.95 117.98 124.37 1vhj s PHE 47 Ca 0.17 1.29 0.03 0.00 0.00 0.00 0.00 56.93 58.42 1vhj s PHE 47 Cb -0.15 -3.48 0.00 0.00 0.00 0.00 0.00 43.02 39.40 1vhj s PHE 47 CO -0.05 -1.46 -0.13 0.20 -0.00 0.00 0.00 175.22 173.78 1vhj s GLY 48 N 0.63 0.75 0.14 4.36 0.00 -1.09 -2.02 107.32 110.10 1vhj s GLY 48 Ca 0.57 -0.51 0.04 0.00 0.00 0.00 0.00 44.72 44.82 1vhj s GLY 48 CO 0.33 -0.19 -0.09 -0.19 0.00 0.00 0.00 173.10 172.96 1vhj s TYR 49 N 0.18 1.22 -0.06 1.90 1.51 0.98 -0.23 117.35 122.84 1vhj s TYR 49 Ca -0.05 -0.80 -0.01 0.00 -1.01 0.00 0.00 57.07 55.21 1vhj s TYR 49 Cb -0.11 -0.64 0.03 0.00 -0.11 0.00 0.00 41.96 41.13 1vhj s TYR 49 CO 0.02 0.04 -0.02 0.99 -1.11 0.00 0.00 175.55 175.47 1vhj s THR 50 N -3.38 0.45 0.00 -0.71 2.01 -0.33 -1.33 115.64 112.35 1vhj s THR 50 Ca 0.17 0.03 0.00 0.00 0.31 0.00 0.00 61.69 62.20 1vhj s THR 50 Cb 0.03 -0.56 0.00 0.00 0.01 0.00 0.00 72.50 71.99 1vhj s THR 50 CO 0.00 0.25 0.00 0.61 -0.69 0.00 0.00 174.62 174.79 1vhj n GLY 51 N 4.78 4.66 3.05 4.40 0.00 -0.45 -0.80 105.19 120.84 1vhj n GLY 51 Ca -0.13 -1.55 -0.19 0.00 0.00 0.00 0.00 46.02 44.15 1vhj n GLY 51 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1vhj s THR 52 N -1.45 0.81 -0.23 2.61 -1.32 -0.47 -0.89 115.64 114.71 1vhj s THR 52 Ca 0.00 -0.54 0.01 0.00 -1.21 0.00 0.00 61.69 59.95 1vhj s THR 52 Cb 0.00 -0.70 0.06 0.00 -1.51 0.00 0.00 72.50 70.35 1vhj s THR 52 CO 0.00 0.16 -0.06 -0.47 -2.21 0.00 0.00 174.62 172.04 1vhj s TYR 53 N -0.38 2.41 -1.48 9.09 6.14 0.15 -0.40 117.35 132.87 1vhj s TYR 53 Ca 0.03 -1.75 -0.11 0.00 0.64 0.00 0.00 57.07 55.87 1vhj s TYR 53 Cb -0.05 -1.59 0.07 0.00 0.42 0.00 0.00 41.96 40.81 1vhj s TYR 53 CO -0.00 -0.77 0.97 1.63 0.64 0.00 0.00 175.55 178.02 1vhj n LYS 54 N 4.67 -5.75 -0.43 4.97 5.02 -1.26 0.82 118.16 126.20 1vhj n LYS 54 Ca -0.12 0.63 0.00 0.00 -2.02 0.00 0.00 58.31 56.80 1vhj n LYS 54 Cb 0.44 -5.50 0.00 0.00 -0.02 0.00 0.00 35.03 29.95 1vhj n LYS 54 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1vhj n GLY 55 N -1.71 2.01 3.69 0.72 0.00 -1.26 -5.01 105.19 103.63 1vhj n GLY 55 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1vhj n GLY 55 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1vhj s ARG 56 N -0.05 4.20 0.01 1.61 3.00 0.24 -5.03 118.95 122.93 1vhj s ARG 56 Ca 0.00 0.15 -0.30 0.00 -1.00 0.00 0.00 55.73 54.58 1vhj s ARG 56 Cb 0.00 -3.50 -0.07 0.00 0.00 0.00 0.00 34.95 31.37 1vhj s ARG 56 CO 0.00 0.05 1.74 0.50 0.00 0.00 0.00 175.30 177.58 1vhj s ARG 57 N 1.04 4.18 -0.00 5.12 3.52 -1.26 0.30 118.95 131.84 1vhj s ARG 57 Ca 0.18 2.34 0.01 0.00 -0.13 0.00 0.00 55.73 58.13 1vhj s ARG 57 Cb -0.14 -3.92 0.00 0.00 -1.56 0.00 0.00 34.95 29.33 1vhj s ARG 57 CO 0.07 -0.84 -0.02 0.42 -0.81 0.00 0.00 175.30 174.12 1vhj s ILE 58 N 3.74 0.18 0.22 4.11 1.01 -0.07 -4.70 121.20 125.69 1vhj s ILE 58 Ca 0.77 -0.08 0.08 0.00 0.00 0.00 0.00 60.65 61.43 1vhj s ILE 58 Cb -0.38 -0.17 -0.04 0.00 0.01 0.00 0.00 42.46 41.88 1vhj s ILE 58 CO 0.33 0.06 0.02 -0.44 0.00 0.00 0.00 174.94 174.91 1vhj s SER 59 N 0.05 4.74 -0.02 3.58 0.01 -0.96 -1.34 113.70 119.77 1vhj s SER 59 Ca -0.00 -0.49 0.00 0.00 1.31 0.00 0.00 55.95 56.77 1vhj s SER 59 Cb -0.02 -0.98 0.02 0.00 0.21 0.00 0.00 66.02 65.25 1vhj s SER 59 CO -0.00 0.04 0.02 0.54 0.41 0.00 0.00 173.24 174.24 1vhj s VAL 60 N -2.01 -0.01 -0.21 3.43 0.11 -0.44 -0.43 120.40 120.84 1vhj s VAL 60 Ca 0.30 0.14 -0.18 0.00 -2.93 0.00 0.00 61.98 59.30 1vhj s VAL 60 Cb -0.08 -0.08 0.05 0.00 -1.53 0.00 0.00 36.38 34.74 1vhj s VAL 60 CO 0.20 0.07 0.54 -0.32 -3.33 0.00 0.00 175.10 172.26 1vhj s MET 61 N 0.76 0.62 0.59 1.54 0.00 -0.35 -0.02 119.30 122.44 1vhj s MET 61 Ca -0.06 0.78 -0.15 0.00 0.00 0.00 0.00 55.69 56.26 1vhj s MET 61 Cb -0.09 0.28 -0.04 0.00 0.00 0.00 0.00 34.83 34.98 1vhj s MET 61 CO -0.02 -0.09 1.04 0.20 0.00 0.00 0.00 175.02 176.16 1vhj s GLY 62 N 0.43 2.05 -0.02 2.11 0.00 -0.85 -3.67 107.32 107.37 1vhj s GLY 62 Ca -0.01 0.30 0.03 0.00 0.00 0.00 0.00 44.72 45.03 1vhj s GLY 62 CO -0.01 0.60 0.90 -2.39 0.00 0.00 0.00 173.10 172.20 1vhj n HIS 63 N -2.08 0.00 -2.36 1.90 1.44 -0.85 -4.86 115.22 108.41 1vhj n HIS 63 Ca 0.08 -0.42 0.09 0.00 -2.01 0.00 0.00 57.72 55.46 1vhj n HIS 63 Cb 0.53 -0.05 -0.02 0.00 0.12 0.00 0.00 29.99 30.57 1vhj n HIS 63 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1vhj n GLY 64 N -0.48 -1.75 3.82 -1.39 0.00 -0.60 -3.00 105.19 101.78 1vhj n GLY 64 Ca 0.02 -1.22 -0.34 0.00 0.00 0.00 0.00 46.02 44.49 1vhj n GLY 64 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1vhj s MET 65 N -1.18 3.19 0.00 1.61 1.00 -1.26 -4.63 119.30 118.03 1vhj s MET 65 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 55.69 55.28 1vhj s MET 65 Cb 0.00 -2.95 0.00 0.00 0.00 0.00 0.00 34.83 31.88 1vhj s MET 65 CO 0.00 0.67 0.00 0.41 0.00 0.00 0.00 175.02 176.10 1vhj n GLY 66 N 1.26 -0.97 0.26 -0.03 0.00 -1.26 -4.44 105.19 100.01 1vhj n GLY 66 Ca -0.14 -1.52 -0.08 0.00 0.00 0.00 0.00 46.02 44.29 1vhj n GLY 66 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1vhj h ILE 67 N 0.00 0.41 -0.69 -0.61 2.04 -1.81 -1.69 117.51 115.16 1vhj h ILE 67 Ca 0.00 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.91 1vhj h ILE 67 Cb 0.00 0.41 -0.05 0.00 -0.74 0.00 0.00 36.82 36.43 1vhj h ILE 67 CO 0.00 0.00 0.40 -0.65 0.00 0.00 0.00 178.15 177.90 1vhj h PRO 68 N -0.21 0.74 0.06 2.37 0.11 -1.92 0.30 132.00 133.44 1vhj h PRO 68 Ca 0.15 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.21 1vhj h PRO 68 Cb 0.44 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.39 1vhj h PRO 68 CO -0.41 0.49 -0.03 1.03 -0.21 0.00 0.00 178.00 178.87 1vhj h SER 69 N 0.76 -0.06 -0.33 -2.05 0.87 -1.73 -2.89 113.55 108.12 1vhj h SER 69 Ca 0.30 -0.30 0.07 0.00 -1.23 0.00 0.00 61.79 60.63 1vhj h SER 69 Cb 0.14 0.02 -0.08 0.00 -0.44 0.00 0.00 62.40 62.03 1vhj h SER 69 CO -0.16 0.27 -0.27 0.00 -0.53 0.00 0.00 176.83 176.14 1vhj h SER 71 N -0.24 0.77 -0.21 0.00 0.02 -0.41 -1.06 113.55 112.42 1vhj h SER 71 Ca 0.16 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 1vhj h SER 71 Cb 0.49 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 1vhj h SER 71 CO -0.46 0.45 0.14 0.40 -1.14 0.00 0.00 176.83 176.21 1vhj h ILE 72 N 0.88 1.05 -0.10 3.27 2.04 -1.25 0.42 117.51 123.83 1vhj h ILE 72 Ca 0.41 -0.10 -0.08 0.00 1.00 0.00 0.00 64.86 66.09 1vhj h ILE 72 Cb 0.33 0.75 0.00 0.00 -0.74 0.00 0.00 36.82 37.16 1vhj h ILE 72 CO -0.23 0.05 -0.26 1.88 0.00 0.00 0.00 178.15 179.59 1vhj h TYR 73 N 0.28 0.45 -0.69 1.37 0.05 -1.21 -1.19 116.97 116.02 1vhj h TYR 73 Ca 0.08 -0.17 -0.07 0.00 0.05 0.00 0.00 58.73 58.61 1vhj h TYR 73 Cb -0.03 -0.08 -0.03 0.00 1.01 0.00 0.00 36.73 37.60 1vhj h TYR 73 CO -0.07 0.88 0.17 -0.39 -1.05 0.00 0.00 178.16 177.70 1vhj h VAL 74 N -0.11 1.26 -0.56 -2.88 -1.51 -1.23 -0.03 116.25 111.19 1vhj h VAL 74 Ca -0.01 -0.96 0.00 0.00 -1.23 0.00 0.00 66.70 64.51 1vhj h VAL 74 Cb 0.87 0.54 -0.03 0.00 -2.13 0.00 0.00 31.29 30.55 1vhj h VAL 74 CO 0.06 0.37 0.36 0.74 -1.23 0.00 0.00 177.57 177.87 1vhj h THR 75 N 1.05 1.15 -0.64 7.19 2.02 -0.84 -1.05 112.91 121.78 1vhj h THR 75 Ca 0.22 -0.28 -0.08 0.00 0.77 0.00 0.00 66.41 67.04 1vhj h THR 75 Cb 0.36 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 67.09 1vhj h THR 75 CO 0.00 0.14 0.10 -0.33 0.37 0.00 0.00 175.52 175.80 1vhj h GLU 76 N 0.75 1.06 -0.87 6.66 5.08 -0.84 -0.27 114.58 126.15 1vhj h GLU 76 Ca 0.20 -0.28 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 1vhj h GLU 76 Cb -0.07 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.01 1vhj h GLU 76 CO -0.04 0.98 0.46 -0.07 -1.00 0.00 0.00 179.01 179.34 1vhj h LEU 77 N 0.99 1.09 0.13 1.33 3.38 -0.34 0.36 115.31 122.26 1vhj h LEU 77 Ca 0.20 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1vhj h LEU 77 Cb 0.44 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1vhj h LEU 77 CO 0.01 0.88 -0.06 0.40 0.09 0.00 0.00 178.44 179.76 1vhj h ILE 78 N 1.22 0.93 0.00 1.22 2.04 -1.04 -1.73 117.51 120.15 1vhj h ILE 78 Ca 0.30 -1.21 -0.09 0.00 1.00 0.00 0.00 64.86 64.86 1vhj h ILE 78 Cb 0.04 1.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.69 1vhj h ILE 78 CO -0.05 0.25 -0.46 0.07 0.00 0.00 0.00 178.15 177.96 1vhj h LYS 79 N -0.85 0.00 0.00 2.37 2.10 -1.00 -3.21 116.57 115.99 1vhj h LYS 79 Ca -0.02 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.54 1vhj h LYS 79 Cb 0.54 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.86 1vhj h LYS 79 CO 0.03 0.40 -1.73 -0.25 -2.00 0.00 0.00 179.45 175.89 1vhj n ASP 80 N -3.18 1.83 -0.19 7.07 8.00 0.11 -4.69 116.55 125.50 1vhj n ASP 80 Ca 0.02 0.00 0.03 0.00 0.71 0.00 0.00 54.79 55.55 1vhj n ASP 80 Cb 0.70 1.31 0.07 0.00 -0.02 0.00 0.00 41.12 43.18 1vhj n ASP 80 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1vhj n TYR 81 N -2.18 0.15 -1.17 1.24 4.02 -1.02 -4.76 117.16 113.45 1vhj n TYR 81 Ca -0.10 -0.59 -0.06 0.00 -0.01 0.00 0.00 57.90 57.14 1vhj n TYR 81 Cb 0.58 -0.07 -0.02 0.00 -0.02 0.00 0.00 39.34 39.80 1vhj n TYR 81 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1vhj n GLY 82 N -0.43 0.72 3.74 2.72 0.00 -1.08 -4.69 105.19 106.18 1vhj n GLY 82 Ca 0.06 -0.18 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 1vhj n GLY 82 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vhj s VAL 83 N -1.86 2.42 -0.18 1.61 1.01 -0.68 -4.82 120.40 117.90 1vhj s VAL 83 Ca 0.00 0.34 0.09 0.00 0.00 0.00 0.00 61.98 62.42 1vhj s VAL 83 Cb 0.00 -3.22 -0.17 0.00 0.00 0.00 0.00 36.38 32.99 1vhj s VAL 83 CO 0.00 0.05 -0.04 0.29 0.00 0.00 0.00 175.10 175.40 1vhj n LYS 84 N 2.44 1.05 -4.40 2.72 4.76 0.06 -4.50 118.16 120.30 1vhj n LYS 84 Ca 0.08 0.04 -0.19 0.00 -2.87 0.00 0.00 58.31 55.37 1vhj n LYS 84 Cb 0.39 -1.41 -0.15 0.00 -1.84 0.00 0.00 35.03 32.02 1vhj n LYS 84 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1vhj s LYS 85 N -2.39 0.80 -0.06 1.97 1.02 -0.73 -1.72 119.74 118.63 1vhj s LYS 85 Ca -0.16 -0.33 0.02 0.00 0.02 0.00 0.00 55.97 55.52 1vhj s LYS 85 Cb 0.06 -0.77 0.01 0.00 -0.52 0.00 0.00 37.83 36.61 1vhj s LYS 85 CO 0.58 0.19 -0.11 0.42 -0.92 0.00 0.00 175.35 175.51 1vhj s ILE 86 N -0.16 1.02 -0.23 2.17 -1.09 -0.75 -1.53 121.20 120.65 1vhj s ILE 86 Ca 0.03 -0.41 0.02 0.00 -2.23 0.00 0.00 60.65 58.05 1vhj s ILE 86 Cb -0.04 -0.95 0.05 0.00 -1.58 0.00 0.00 42.46 39.93 1vhj s ILE 86 CO -0.00 0.33 -0.13 -0.63 -1.23 0.00 0.00 174.94 173.28 1vhj s ILE 87 N 0.71 2.03 -0.10 2.92 1.01 -0.40 -1.41 121.20 125.97 1vhj s ILE 87 Ca -0.14 -1.32 -0.23 0.00 0.00 0.00 0.00 60.65 58.96 1vhj s ILE 87 Cb -0.16 -2.05 -0.03 0.00 0.01 0.00 0.00 42.46 40.23 1vhj s ILE 87 CO 0.03 0.16 0.70 -0.60 0.00 0.00 0.00 174.94 175.23 1vhj s ARG 88 N 1.21 4.38 -0.20 2.79 3.52 0.98 0.19 118.95 131.83 1vhj s ARG 88 Ca -0.04 0.84 0.01 0.00 -0.13 0.00 0.00 55.73 56.41 1vhj s ARG 88 Cb -0.17 -3.48 0.03 0.00 -1.56 0.00 0.00 34.95 29.76 1vhj s ARG 88 CO -0.08 -0.02 -0.18 0.14 -0.81 0.00 0.00 175.30 174.35 1vhj s VAL 89 N 1.11 2.13 0.00 7.11 -7.23 -0.76 -0.81 120.40 121.94 1vhj s VAL 89 Ca 0.36 -1.06 0.00 0.00 -1.81 0.00 0.00 61.98 59.47 1vhj s VAL 89 Cb -0.17 -1.97 0.00 0.00 0.56 0.00 0.00 36.38 34.80 1vhj s VAL 89 CO 0.16 0.42 0.00 0.61 -0.31 0.00 0.00 175.10 175.98 1vhj n GLY 90 N 4.59 3.47 3.64 2.32 0.00 -0.73 -3.86 105.19 114.62 1vhj n GLY 90 Ca -0.20 -1.15 -0.33 0.00 0.00 0.00 0.00 46.02 44.35 1vhj n GLY 90 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vhj s SER 91 N 0.46 4.91 0.14 1.61 0.01 -1.26 -1.39 113.70 118.17 1vhj s SER 91 Ca 0.00 -0.06 -0.01 0.00 1.31 0.00 0.00 55.95 57.19 1vhj s SER 91 Cb 0.00 -1.23 -0.04 0.00 0.21 0.00 0.00 66.02 64.96 1vhj s SER 91 CO 0.00 0.29 0.07 0.00 0.41 0.00 0.00 173.24 174.01 1vhj s GLY 93 N -3.05 2.01 0.06 0.00 0.00 -0.62 -2.19 107.32 103.53 1vhj s GLY 93 Ca 0.25 -0.86 -0.02 0.00 0.00 0.00 0.00 44.72 44.10 1vhj s GLY 93 CO 0.03 -0.72 0.24 0.00 0.00 0.00 0.00 173.10 172.65 1vhj s ALA 94 N -1.17 3.96 0.00 3.20 0.00 0.53 0.61 121.76 128.89 1vhj s ALA 94 Ca 0.22 -0.77 0.00 0.00 0.00 0.00 0.00 51.96 51.41 1vhj s ALA 94 Cb -0.12 -1.90 0.00 0.00 0.00 0.00 0.00 23.12 21.10 1vhj s ALA 94 CO 0.13 0.78 0.00 1.33 0.00 0.00 0.00 175.76 178.00 1vhj n VAL 95 N 0.37 0.00 -3.84 0.00 0.24 -1.26 -0.15 118.33 113.70 1vhj n VAL 95 Ca -0.06 -0.21 -0.35 0.00 -2.04 0.00 0.00 64.34 61.68 1vhj n VAL 95 Cb 0.51 0.71 -0.05 0.00 -1.47 0.00 0.00 33.84 33.54 1vhj n VAL 95 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1vhj s ASN 96 N -1.30 6.43 0.50 -1.34 3.84 -1.26 -4.63 114.94 117.17 1vhj s ASN 96 Ca 0.00 0.48 0.30 0.00 0.21 0.00 0.00 52.86 53.85 1vhj s ASN 96 Cb 0.00 -2.07 1.01 0.00 -0.55 0.00 0.00 41.25 39.65 1vhj s ASN 96 CO 0.00 0.33 1.85 -0.33 -2.79 0.00 0.00 177.10 176.16 1vhj h GLU 97 N 4.39 0.00 0.00 0.43 5.08 -1.96 -2.59 114.58 119.93 1vhj h GLU 97 Ca -0.52 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 1vhj h GLU 97 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1vhj h GLU 97 CO 0.63 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 179.05 1vhj n GLY 98 N 0.40 -0.88 3.22 -3.84 0.00 -1.26 -4.63 105.19 98.20 1vhj n GLY 98 Ca 0.02 -0.11 -0.31 0.00 0.00 0.00 0.00 46.02 45.62 1vhj n GLY 98 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1vhj s ILE 99 N -2.41 2.00 0.21 -0.61 1.01 -0.98 -5.14 121.20 115.28 1vhj s ILE 99 Ca 0.23 -1.00 0.08 0.00 0.00 0.00 0.00 60.65 59.95 1vhj s ILE 99 Cb 0.14 -1.72 -0.04 0.00 0.01 0.00 0.00 42.46 40.85 1vhj s ILE 99 CO 0.29 0.55 0.04 -0.54 0.00 0.00 0.00 174.94 175.28 1vhj s LYS 100 N 0.19 2.51 0.56 2.79 -0.14 -1.26 -4.81 119.74 119.57 1vhj s LYS 100 Ca -0.13 -1.14 -0.21 0.00 -1.36 0.00 0.00 55.97 53.13 1vhj s LYS 100 Cb -0.16 -2.37 -0.05 0.00 -1.68 0.00 0.00 37.83 33.57 1vhj s LYS 100 CO 0.07 0.43 1.21 1.33 -0.76 0.00 0.00 175.35 177.63 1vhj n VAL 101 N -0.47 3.84 -0.84 3.17 0.24 -1.26 -1.52 118.33 121.48 1vhj n VAL 101 Ca -0.09 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.71 1vhj n VAL 101 Cb 0.56 -1.45 0.00 0.00 -1.47 0.00 0.00 33.84 31.48 1vhj n VAL 101 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1vhj n ARG 102 N -1.03 0.00 -2.27 7.34 1.74 0.15 -4.97 116.66 117.61 1vhj n ARG 102 Ca 0.12 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.87 1vhj n ARG 102 Cb 0.45 -2.12 -0.01 0.00 -1.02 0.00 0.00 32.46 29.76 1vhj n ARG 102 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1vhj s ASP 103 N -3.01 6.02 -0.26 0.55 1.11 -0.58 -4.71 116.67 115.80 1vhj s ASP 103 Ca 0.00 1.88 -0.08 0.00 0.18 0.00 0.00 52.55 54.53 1vhj s ASP 103 Cb 0.00 -2.55 -0.03 0.00 1.07 0.00 0.00 42.92 41.41 1vhj s ASP 103 CO 0.00 -1.00 0.10 -0.69 1.18 0.00 0.00 175.17 174.76 1vhj s VAL 104 N -2.22 4.56 -0.04 -1.27 1.01 -1.26 -0.84 120.40 120.35 1vhj s VAL 104 Ca 0.66 -0.12 0.04 0.00 0.00 0.00 0.00 61.98 62.55 1vhj s VAL 104 Cb -0.17 -3.16 -0.03 0.00 0.00 0.00 0.00 36.38 33.02 1vhj s VAL 104 CO 0.29 0.29 -0.13 0.68 0.00 0.00 0.00 175.10 176.23 1vhj s VAL 105 N 1.65 3.13 -0.13 2.92 -7.23 0.20 -1.23 120.40 119.71 1vhj s VAL 105 Ca 0.06 -0.76 -0.00 0.00 -1.81 0.00 0.00 61.98 59.47 1vhj s VAL 105 Cb -0.15 -2.25 -0.02 0.00 0.56 0.00 0.00 36.38 34.52 1vhj s VAL 105 CO 0.05 0.54 -0.12 -0.63 -0.31 0.00 0.00 175.10 174.64 1vhj s ILE 106 N -0.78 3.18 -0.87 -0.62 1.01 0.43 -0.73 121.20 122.81 1vhj s ILE 106 Ca 0.12 -0.62 -0.21 0.00 0.00 0.00 0.00 60.65 59.95 1vhj s ILE 106 Cb -0.11 -2.34 0.10 0.00 0.01 0.00 0.00 42.46 40.13 1vhj s ILE 106 CO 0.02 0.53 1.14 -0.83 0.00 0.00 0.00 174.94 175.80 1vhj s GLY 107 N 0.26 1.66 0.28 6.18 0.00 -0.43 -1.09 107.32 114.18 1vhj s GLY 107 Ca -0.08 -2.43 0.06 0.00 0.00 0.00 0.00 44.72 42.27 1vhj s GLY 107 CO 0.05 2.15 1.65 1.98 0.00 0.00 0.00 173.10 178.93 1vhj h MET 108 N 9.19 0.21 -4.96 2.90 4.05 -0.53 -3.39 114.93 122.40 1vhj h MET 108 Ca 0.05 -0.12 -0.34 0.00 -0.28 0.00 0.00 59.70 59.01 1vhj h MET 108 Cb 1.03 0.01 -0.14 0.00 -0.80 0.00 0.00 31.60 31.70 1vhj h MET 108 CO 1.18 0.66 -0.65 0.20 0.23 0.00 0.00 176.91 178.52 1vhj s GLY 109 N -4.28 1.47 -0.15 1.39 0.00 -1.04 -0.96 107.32 103.75 1vhj s GLY 109 Ca -0.04 -1.72 -0.05 0.00 0.00 0.00 0.00 44.72 42.91 1vhj s GLY 109 CO 0.78 -1.61 0.09 0.00 0.00 0.00 0.00 173.10 172.36 1vhj s ALA 110 N -3.54 0.37 0.73 3.20 0.00 0.30 -1.22 121.76 121.60 1vhj s ALA 110 Ca 0.28 -0.21 -0.12 0.00 0.00 0.00 0.00 51.96 51.91 1vhj s ALA 110 Cb 0.06 -0.98 0.03 0.00 0.00 0.00 0.00 23.12 22.23 1vhj s ALA 110 CO 0.08 -1.07 1.11 0.00 0.00 0.00 0.00 175.76 175.87 1vhj s THR 112 N -3.34 0.00 -0.79 0.00 -1.32 -1.26 -0.30 115.64 108.62 1vhj s THR 112 Ca 0.59 0.00 0.14 0.00 -1.21 0.00 0.00 61.69 61.21 1vhj s THR 112 Cb -0.12 -1.00 0.43 0.00 -1.51 0.00 0.00 72.50 70.31 1vhj s THR 112 CO 0.52 0.00 1.36 -0.90 -2.21 0.00 0.00 174.62 173.39 1vhj n ASP 113 N -0.25 3.46 -4.93 8.08 5.68 -1.18 -4.97 116.55 122.44 1vhj n ASP 113 Ca -0.11 -2.33 -0.26 0.00 -0.50 0.00 0.00 54.79 51.59 1vhj n ASP 113 Cb 0.62 -0.37 0.04 0.00 -1.14 0.00 0.00 41.12 40.28 1vhj n ASP 113 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1vhj s SER 114 N -1.24 5.31 0.00 -1.12 0.15 -1.26 -4.88 113.70 110.66 1vhj s SER 114 Ca 0.33 0.57 0.13 0.00 0.70 0.00 0.00 55.95 57.68 1vhj s SER 114 Cb 0.21 -1.44 0.25 0.00 -1.71 0.00 0.00 66.02 63.33 1vhj s SER 114 CO 0.16 -1.24 1.13 1.17 1.20 0.00 0.00 173.24 175.66 1vhj n LYS 115 N -2.67 1.95 -0.20 5.44 4.81 -1.26 -4.66 118.16 121.56 1vhj n LYS 115 Ca 0.06 -1.77 -0.04 0.00 -0.87 0.00 0.00 58.31 55.69 1vhj n LYS 115 Cb 0.59 -1.29 0.14 0.00 0.02 0.00 0.00 35.03 34.49 1vhj n LYS 115 CO 0.00 0.00 0.00 -0.39 1.17 0.00 0.00 177.40 178.18 1vhj h VAL 116 N 2.50 1.24 0.00 3.15 -1.51 -1.99 0.31 116.25 119.94 1vhj h VAL 116 Ca 0.00 -0.79 -0.13 0.00 -1.23 0.00 0.00 66.70 64.55 1vhj h VAL 116 Cb 0.68 0.48 -0.02 0.00 -2.13 0.00 0.00 31.29 30.30 1vhj h VAL 116 CO 0.00 0.31 -0.62 0.78 -1.23 0.00 0.00 177.57 176.81 1vhj h ASN 117 N 0.96 0.00 -0.05 4.19 2.35 -1.93 -2.64 115.58 118.47 1vhj h ASN 117 Ca 0.22 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.85 1vhj h ASN 117 Cb 0.24 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 1vhj h ASN 117 CO -0.01 0.62 -0.35 0.03 -1.65 0.00 0.00 177.43 176.06 1vhj h ARG 118 N 0.00 0.54 -0.37 0.81 3.08 -1.70 0.96 114.38 117.70 1vhj h ARG 118 Ca -0.01 -0.25 -0.09 0.00 0.07 0.00 0.00 59.98 59.70 1vhj h ARG 118 Cb 1.39 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.41 1vhj h ARG 118 CO 0.08 0.82 -0.14 0.82 -1.07 0.00 0.00 179.97 180.47 1vhj h ILE 119 N 0.46 1.25 0.00 2.04 2.04 -0.81 -0.13 117.51 122.35 1vhj h ILE 119 Ca 0.05 -1.16 -0.14 0.00 1.00 0.00 0.00 64.86 64.60 1vhj h ILE 119 Cb 0.83 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 38.02 1vhj h ILE 119 CO 0.07 0.39 -0.69 0.03 0.00 0.00 0.00 178.15 177.95 1vhj h ARG 120 N 0.60 0.00 -0.73 2.37 3.08 -1.14 -3.38 114.38 115.18 1vhj h ARG 120 Ca 0.10 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.63 1vhj h ARG 120 Cb 0.59 0.00 -0.35 0.00 0.08 0.00 0.00 29.97 30.29 1vhj h ARG 120 CO 0.04 0.69 -0.37 0.34 -1.07 0.00 0.00 179.97 179.60 1vhj n PHE 121 N -3.43 2.56 -3.13 3.04 7.35 0.30 -4.95 117.46 119.21 1vhj n PHE 121 Ca 0.00 -2.30 -0.22 0.00 -0.76 0.00 0.00 57.45 54.17 1vhj n PHE 121 Cb 0.75 -0.59 0.01 0.00 0.35 0.00 0.00 39.48 40.00 1vhj n PHE 121 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 1vhj n LYS 122 N -0.82 -3.91 -1.06 -4.13 5.02 -1.15 -1.85 118.16 110.27 1vhj n LYS 122 Ca 0.46 0.68 -0.02 0.00 -2.02 0.00 0.00 58.31 57.41 1vhj n LYS 122 Cb 0.90 -5.44 -0.01 0.00 -0.02 0.00 0.00 35.03 30.46 1vhj n LYS 122 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1vhj n ASP 123 N -2.35 -4.52 -4.75 4.39 2.03 -0.10 -5.00 116.55 106.25 1vhj n ASP 123 Ca -0.07 0.05 -0.23 0.00 0.52 0.00 0.00 54.79 55.06 1vhj n ASP 123 Cb 0.58 -2.19 0.10 0.00 -0.72 0.00 0.00 41.12 38.89 1vhj n ASP 123 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 1vhj s HIS 124 N -1.64 1.51 -0.53 -0.67 3.76 -0.77 -4.99 115.29 111.96 1vhj s HIS 124 Ca 0.00 -0.39 -0.25 0.00 -0.15 0.00 0.00 55.06 54.27 1vhj s HIS 124 Cb 0.00 -2.82 0.04 0.00 1.11 0.00 0.00 32.58 30.91 1vhj s HIS 124 CO 0.00 -1.60 0.94 -0.51 -0.85 0.00 0.00 174.74 172.72 1vhj s ASP 125 N -4.73 6.38 -0.22 1.40 1.11 -1.26 -4.57 116.67 114.79 1vhj s ASP 125 Ca 0.65 -0.22 -0.18 0.00 0.18 0.00 0.00 52.55 52.98 1vhj s ASP 125 Cb -0.05 -2.44 -0.03 0.00 1.07 0.00 0.00 42.92 41.47 1vhj s ASP 125 CO 0.43 -1.19 0.53 0.12 1.18 0.00 0.00 175.17 176.24 1vhj s PHE 126 N 3.92 3.34 -0.66 4.23 2.19 -1.26 -5.01 117.98 124.73 1vhj s PHE 126 Ca 0.32 0.74 -0.27 0.00 0.33 0.00 0.00 56.93 58.05 1vhj s PHE 126 Cb -0.12 -2.70 0.03 0.00 -1.31 0.00 0.00 43.02 38.92 1vhj s PHE 126 CO 0.21 -0.17 1.30 0.00 1.83 0.00 0.00 175.22 178.40 1vhj s ALA 127 N 1.88 2.81 -0.49 11.12 0.00 -1.26 -4.95 121.76 130.87 1vhj s ALA 127 Ca 0.23 -1.06 -0.28 0.00 0.00 0.00 0.00 51.96 50.86 1vhj s ALA 127 Cb -0.15 -4.17 -0.00 0.00 0.00 0.00 0.00 23.12 18.79 1vhj s ALA 127 CO 0.09 -3.06 1.61 0.00 0.00 0.00 0.00 175.76 174.41 1vhj s ALA 128 N 5.69 2.71 0.14 0.00 0.00 -1.26 -4.98 121.76 124.06 1vhj s ALA 128 Ca 0.42 -0.35 0.09 0.00 0.00 0.00 0.00 51.96 52.12 1vhj s ALA 128 Cb -0.08 -4.10 -0.04 0.00 0.00 0.00 0.00 23.12 18.90 1vhj s ALA 128 CO 0.20 -2.99 -0.22 0.96 0.00 0.00 0.00 175.76 173.71 1vhj s ILE 129 N 6.87 1.94 0.91 0.00 -4.36 -1.26 -0.54 121.20 124.76 1vhj s ILE 129 Ca 0.64 -1.75 -0.12 0.00 -0.26 0.00 0.00 60.65 59.16 1vhj s ILE 129 Cb -0.15 -1.80 0.14 0.00 1.25 0.00 0.00 42.46 41.91 1vhj s ILE 129 CO 0.27 -0.10 1.14 0.00 0.24 0.00 0.00 174.94 176.49 1vhj s ALA 130 N -1.43 1.78 -0.11 2.27 0.00 -0.13 -4.86 121.76 119.28 1vhj s ALA 130 Ca 0.12 -0.52 -0.30 0.00 0.00 0.00 0.00 51.96 51.27 1vhj s ALA 130 Cb -0.09 -3.04 -0.02 0.00 0.00 0.00 0.00 23.12 19.98 1vhj s ALA 130 CO 0.06 -2.28 1.16 0.34 0.00 0.00 0.00 175.76 175.04 1vhj s ASP 131 N -4.02 7.06 0.14 0.00 -1.08 -0.48 -4.95 116.67 113.34 1vhj s ASP 131 Ca 0.64 1.69 -0.19 0.00 -0.52 0.00 0.00 52.55 54.17 1vhj s ASP 131 Cb -0.15 -2.55 0.01 0.00 -1.46 0.00 0.00 42.92 38.77 1vhj s ASP 131 CO 0.53 -0.61 1.71 0.22 0.52 0.00 0.00 175.17 177.54 1vhj h TYR 132 N 7.57 -0.02 -0.13 -5.34 5.03 -1.95 -1.51 116.97 120.62 1vhj h TYR 132 Ca -0.30 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.02 1vhj h TYR 132 Cb 1.13 0.05 -0.01 0.00 1.55 0.00 0.00 36.73 39.46 1vhj h TYR 132 CO 0.75 -0.05 0.06 0.87 -1.32 0.00 0.00 178.16 178.47 1vhj h LYS 133 N 0.07 0.18 -0.26 1.82 1.79 -1.99 -0.81 116.57 117.37 1vhj h LYS 133 Ca 0.12 -0.01 -0.18 0.00 -2.18 0.00 0.00 60.65 58.40 1vhj h LYS 133 Cb 0.16 -0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 30.77 1vhj h LYS 133 CO -0.21 0.15 -0.55 0.52 -1.08 0.00 0.00 179.45 178.28 1vhj h MET 134 N 0.18 0.78 -0.20 3.15 2.86 -1.80 0.70 114.93 120.61 1vhj h MET 134 Ca 0.05 -0.50 0.02 0.00 -2.06 0.00 0.00 59.70 57.21 1vhj h MET 134 Cb 0.04 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 1vhj h MET 134 CO -0.01 1.12 0.07 0.28 1.06 0.00 0.00 176.91 179.44 1vhj h VAL 135 N 0.60 0.96 -0.40 -2.22 2.07 -0.65 -0.41 116.25 116.20 1vhj h VAL 135 Ca 0.01 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 1vhj h VAL 135 Cb 1.14 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.67 1vhj h VAL 135 CO 0.12 0.03 0.17 0.50 0.02 0.00 0.00 177.57 178.40 1vhj h LYS 136 N 0.16 0.59 -0.62 1.57 3.64 -0.95 0.11 116.57 121.08 1vhj h LYS 136 Ca 0.08 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1vhj h LYS 136 Cb 0.05 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.74 1vhj h LYS 136 CO -0.08 0.55 0.39 0.00 -2.27 0.00 0.00 179.45 178.04 1vhj h ALA 137 N 1.01 0.79 -0.54 5.00 0.00 -0.65 0.32 119.26 125.19 1vhj h ALA 137 Ca 0.13 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 1vhj h ALA 137 Cb 0.18 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1vhj h ALA 137 CO -0.01 0.24 -0.07 0.00 0.00 0.00 0.00 179.25 179.41 1vhj h ALA 138 N 1.21 0.86 -0.66 0.00 0.00 -0.92 0.04 119.26 119.78 1vhj h ALA 138 Ca 0.22 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 1vhj h ALA 138 Cb -0.06 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 1vhj h ALA 138 CO -0.05 0.65 0.14 1.49 0.00 0.00 0.00 179.25 181.49 1vhj h GLU 139 N 0.88 1.08 -0.30 0.00 4.22 -0.27 -2.00 114.58 118.19 1vhj h GLU 139 Ca 0.15 -0.27 -0.14 0.00 0.08 0.00 0.00 59.36 59.18 1vhj h GLU 139 Cb 0.61 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 1vhj h GLU 139 CO 0.04 0.98 -0.36 0.93 -2.18 0.00 0.00 179.01 178.42 1vhj h GLU 140 N 1.00 0.77 -0.87 1.92 4.39 -0.68 -1.90 114.58 119.20 1vhj h GLU 140 Ca 0.21 -0.43 0.05 0.00 0.34 0.00 0.00 59.36 59.53 1vhj h GLU 140 Cb 0.40 0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 29.02 1vhj h GLU 140 CO 0.01 1.06 0.57 0.00 -1.16 0.00 0.00 179.01 179.48 1vhj h ALA 141 N 0.70 1.51 -0.05 3.43 0.00 -0.95 0.99 119.26 124.89 1vhj h ALA 141 Ca 0.04 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.73 1vhj h ALA 141 Cb 0.94 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 1vhj h ALA 141 CO 0.09 0.38 -0.79 0.00 0.00 0.00 0.00 179.25 178.93 1vhj h ALA 142 N 1.51 0.54 -0.48 0.00 0.00 -1.21 -2.96 119.26 116.66 1vhj h ALA 142 Ca 0.36 -0.64 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 1vhj h ALA 142 Cb 0.13 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1vhj h ALA 142 CO -0.12 0.79 0.14 -0.22 0.00 0.00 0.00 179.25 179.84 1vhj h LYS 143 N 0.24 0.76 0.00 0.00 1.63 -0.42 0.80 116.57 119.57 1vhj h LYS 143 Ca -0.04 -0.17 -0.01 0.00 -0.85 0.00 0.00 60.65 59.58 1vhj h LYS 143 Cb 1.38 -0.10 -0.00 0.00 -0.60 0.00 0.00 32.23 32.91 1vhj h LYS 143 CO 0.13 0.72 -0.03 0.00 -3.45 0.00 0.00 179.45 176.83 1vhj h ALA 144 N 1.00 1.32 -0.45 5.00 0.00 -0.85 0.28 119.26 125.56 1vhj h ALA 144 Ca 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1vhj h ALA 144 Cb 0.29 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1vhj h ALA 144 CO -0.00 0.03 0.00 0.54 0.00 0.00 0.00 179.25 179.82 1vhj n ARG 145 N -3.58 2.53 -0.99 0.00 1.74 -0.97 -4.95 116.66 110.46 1vhj n ARG 145 Ca -0.03 -2.35 0.00 0.00 -0.77 0.00 0.00 57.85 54.71 1vhj n ARG 145 Cb 0.12 -1.52 0.00 0.00 -1.02 0.00 0.00 32.46 30.04 1vhj n ARG 145 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1vhj n GLY 146 N 1.50 0.43 3.71 -0.13 0.00 0.09 -5.00 105.19 105.79 1vhj n GLY 146 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 1vhj n GLY 146 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1vhj s ILE 147 N -1.95 5.15 -0.36 -0.61 1.01 0.27 -4.96 121.20 119.75 1vhj s ILE 147 Ca 0.00 1.01 -0.17 0.00 0.00 0.00 0.00 60.65 61.50 1vhj s ILE 147 Cb 0.00 -3.85 -0.00 0.00 0.01 0.00 0.00 42.46 38.62 1vhj s ILE 147 CO 0.00 0.28 0.43 -0.62 0.00 0.00 0.00 174.94 175.03 1vhj s ASP 148 N 0.76 6.23 0.05 3.58 2.15 -1.26 -3.34 116.67 124.84 1vhj s ASP 148 Ca 0.27 -0.23 -0.03 0.00 0.43 0.00 0.00 52.55 53.00 1vhj s ASP 148 Cb -0.15 -2.23 -0.04 0.00 -0.30 0.00 0.00 42.92 40.19 1vhj s ASP 148 CO 0.11 -0.43 0.25 0.68 -0.17 0.00 0.00 175.17 175.61 1vhj s VAL 149 N 2.18 5.34 -0.37 1.11 -7.23 -1.26 -4.50 120.40 115.66 1vhj s VAL 149 Ca 0.14 -0.14 -0.15 0.00 -1.81 0.00 0.00 61.98 60.03 1vhj s VAL 149 Cb -0.16 -3.59 -0.00 0.00 0.56 0.00 0.00 36.38 33.18 1vhj s VAL 149 CO 0.13 0.21 0.31 -0.54 -0.31 0.00 0.00 175.10 174.90 1vhj s LYS 150 N -2.24 3.31 -0.26 4.82 -0.14 -0.36 -4.96 119.74 119.90 1vhj s LYS 150 Ca 0.33 -0.71 -0.13 0.00 -1.36 0.00 0.00 55.97 54.09 1vhj s LYS 150 Cb -0.13 -3.88 -0.04 0.00 -1.68 0.00 0.00 37.83 32.10 1vhj s LYS 150 CO 0.23 -0.60 0.30 0.08 -0.76 0.00 0.00 175.35 174.60 1vhj s VAL 151 N 1.83 5.23 0.00 3.17 1.01 -1.26 -0.42 120.40 129.95 1vhj s VAL 151 Ca 0.08 0.44 0.00 0.00 0.00 0.00 0.00 61.98 62.49 1vhj s VAL 151 Cb -0.18 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.57 1vhj s VAL 151 CO 0.11 0.21 0.00 0.61 0.00 0.00 0.00 175.10 176.03 1vhj n GLY 152 N 4.66 1.91 3.64 4.51 0.00 -0.25 -4.91 105.19 114.76 1vhj n GLY 152 Ca -0.11 -0.23 -0.38 0.00 0.00 0.00 0.00 46.02 45.30 1vhj n GLY 152 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1vhj s ASN 153 N 2.00 6.35 0.52 1.61 0.01 -1.26 0.24 114.94 124.40 1vhj s ASN 153 Ca 0.00 0.41 -0.03 0.00 -0.71 0.00 0.00 52.86 52.53 1vhj s ASN 153 Cb 0.00 -2.22 -0.00 0.00 0.41 0.00 0.00 41.25 39.44 1vhj s ASN 153 CO 0.00 -0.12 0.79 -0.76 -1.51 0.00 0.00 177.10 175.49 1vhj s LEU 154 N 1.64 3.46 -0.16 0.60 1.43 -0.36 0.56 118.68 125.86 1vhj s LEU 154 Ca 0.17 0.55 0.00 0.00 -1.03 0.00 0.00 54.13 53.82 1vhj s LEU 154 Cb -0.15 -3.41 0.03 0.00 0.03 0.00 0.00 46.19 42.69 1vhj s LEU 154 CO 0.08 -0.85 -0.13 0.12 0.23 0.00 0.00 176.35 175.80 1vhj s PHE 155 N -2.77 2.19 -0.50 0.29 2.19 -0.33 -0.08 117.98 118.98 1vhj s PHE 155 Ca 0.51 -1.27 -0.18 0.00 0.33 0.00 0.00 56.93 56.32 1vhj s PHE 155 Cb -0.10 -1.60 0.07 0.00 -1.31 0.00 0.00 43.02 40.08 1vhj s PHE 155 CO 0.42 -0.68 0.55 -1.12 1.83 0.00 0.00 175.22 176.22 1vhj s SER 156 N 1.48 6.20 0.24 6.13 0.01 0.58 -0.11 113.70 128.23 1vhj s SER 156 Ca 0.04 -1.09 -0.18 0.00 1.31 0.00 0.00 55.95 56.03 1vhj s SER 156 Cb -0.13 -2.25 -0.08 0.00 0.21 0.00 0.00 66.02 63.76 1vhj s SER 156 CO -0.10 -0.82 0.72 0.00 0.41 0.00 0.00 173.24 173.45 1vhj s ALA 157 N 2.27 3.40 -0.03 1.44 0.00 -0.01 -3.10 121.76 125.74 1vhj s ALA 157 Ca 0.11 0.12 0.03 0.00 0.00 0.00 0.00 51.96 52.21 1vhj s ALA 157 Cb -0.21 -2.79 -0.25 0.00 0.00 0.00 0.00 23.12 19.87 1vhj s ALA 157 CO 0.10 0.34 0.70 0.93 0.00 0.00 0.00 175.76 177.83 1vhj h GLU 158 N 3.15 0.14 -4.81 0.00 4.39 -1.89 -3.42 114.58 112.14 1vhj h GLU 158 Ca -0.48 -0.23 -0.68 0.00 0.34 0.00 0.00 59.36 58.31 1vhj h GLU 158 Cb 1.19 0.09 -0.32 0.00 -0.10 0.00 0.00 28.75 29.61 1vhj h GLU 158 CO 0.65 0.88 -0.70 -0.51 -1.16 0.00 0.00 179.01 178.18 1vhj s LEU 159 N -6.62 3.69 0.16 1.33 1.43 -1.26 -4.96 118.68 112.45 1vhj s LEU 159 Ca -0.10 -1.08 -0.16 0.00 -1.03 0.00 0.00 54.13 51.77 1vhj s LEU 159 Cb 0.07 -1.72 0.06 0.00 0.03 0.00 0.00 46.19 44.63 1vhj s LEU 159 CO 0.82 -0.22 1.77 0.15 0.23 0.00 0.00 176.35 179.11 1vhj h PHE 160 N 8.04 0.33 -2.61 0.29 3.04 -1.98 -3.13 116.94 120.93 1vhj h PHE 160 Ca -0.26 0.02 -0.77 0.00 3.98 0.00 0.00 57.97 60.94 1vhj h PHE 160 Cb 1.08 -0.09 -0.22 0.00 2.56 0.00 0.00 35.95 39.28 1vhj h PHE 160 CO 0.60 0.17 1.09 0.66 -2.02 0.00 0.00 178.31 178.81 1vhj n TYR 161 N -4.94 4.49 -1.88 0.41 4.02 -1.26 -5.02 117.16 112.98 1vhj n TYR 161 Ca 0.01 -3.38 -0.41 0.00 -0.01 0.00 0.00 57.90 54.11 1vhj n TYR 161 Cb 0.10 -1.89 -0.01 0.00 -0.02 0.00 0.00 39.34 37.52 1vhj n TYR 161 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 1vhj s THR 162 N -0.05 2.24 -0.97 -0.72 -1.32 -1.19 -4.91 115.64 108.72 1vhj s THR 162 Ca 0.37 0.23 0.28 0.00 -1.21 0.00 0.00 61.69 61.36 1vhj s THR 162 Cb -0.03 -3.15 0.17 0.00 -1.51 0.00 0.00 72.50 67.99 1vhj s THR 162 CO -0.01 0.05 1.76 -0.81 -2.21 0.00 0.00 174.62 173.40 1vhj n PRO 163 N 0.88 0.03 -3.68 7.08 -0.04 -1.26 -4.41 135.00 133.60 1vhj n PRO 163 Ca 0.02 0.02 -0.28 0.00 -0.04 0.00 0.00 63.50 63.22 1vhj n PRO 163 Cb 0.40 -1.53 -0.12 0.00 -0.04 0.00 0.00 33.50 32.21 1vhj n PRO 163 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1vhj s ASP 164 N -3.15 3.39 0.26 3.54 3.68 -1.26 -4.96 116.67 118.18 1vhj s ASP 164 Ca 0.13 -3.15 0.24 0.00 2.13 0.00 0.00 52.55 51.90 1vhj s ASP 164 Cb 0.18 -1.06 0.96 0.00 -1.45 0.00 0.00 42.92 41.55 1vhj s ASP 164 CO 0.59 -0.18 1.73 -0.81 0.13 0.00 0.00 175.17 176.63 1vhj n PRO 165 N 2.83 0.22 0.20 4.34 -0.04 -1.26 -2.28 135.00 139.01 1vhj n PRO 165 Ca 0.18 0.39 0.14 0.00 -0.04 0.00 0.00 63.50 64.18 1vhj n PRO 165 Cb 0.38 -1.88 0.63 0.00 -0.04 0.00 0.00 33.50 32.60 1vhj n PRO 165 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1vhj h SER 166 N 0.00 0.00 0.25 3.54 4.64 -1.98 -0.73 113.55 119.27 1vhj h SER 166 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1vhj h SER 166 Cb 0.44 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.53 1vhj h SER 166 CO 0.00 0.00 -0.10 -0.03 -0.87 0.00 0.00 176.83 175.83 1vhj h MET 167 N 0.00 0.00 0.00 4.77 -1.53 -1.90 -2.39 114.93 113.88 1vhj h MET 167 Ca 0.00 0.00 -0.07 0.00 -3.44 0.00 0.00 59.70 56.19 1vhj h MET 167 Cb 0.33 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.37 1vhj h MET 167 CO 0.00 0.10 -0.34 0.74 0.14 0.00 0.00 176.91 177.55 1vhj h PHE 168 N 0.00 0.00 0.00 1.39 0.05 -1.35 -1.93 116.94 115.10 1vhj h PHE 168 Ca -0.00 0.00 -0.08 0.00 3.82 0.00 0.00 57.97 61.71 1vhj h PHE 168 Cb 0.25 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.19 1vhj h PHE 168 CO 0.00 0.34 -0.38 -0.44 -0.18 0.00 0.00 178.31 177.65 1vhj h ASP 169 N 0.00 0.00 -0.14 2.17 5.19 -1.60 -2.40 116.42 119.64 1vhj h ASP 169 Ca -0.00 0.00 -0.17 0.00 -0.62 0.00 0.00 57.03 56.23 1vhj h ASP 169 Cb 0.61 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.13 1vhj h ASP 169 CO 0.04 0.38 -0.60 0.58 -3.12 0.00 0.00 179.24 176.53 1vhj h VAL 170 N 0.00 1.33 -0.71 -1.35 2.07 -1.41 -2.31 116.25 113.86 1vhj h VAL 170 Ca -0.00 -1.86 -0.06 0.00 0.82 0.00 0.00 66.70 65.60 1vhj h VAL 170 Cb 0.97 2.07 -0.03 0.00 -1.52 0.00 0.00 31.29 32.78 1vhj h VAL 170 CO 0.05 0.57 0.21 0.24 0.02 0.00 0.00 177.57 178.66 1vhj h MET 171 N 0.31 1.11 0.31 1.57 2.86 -1.24 -2.23 114.93 117.61 1vhj h MET 171 Ca -0.04 -0.24 -0.02 0.00 -2.06 0.00 0.00 59.70 57.35 1vhj h MET 171 Cb 1.23 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.73 1vhj h MET 171 CO 0.12 0.95 -0.15 0.22 1.06 0.00 0.00 176.91 179.12 1vhj h ASP 172 N 1.06 -0.35 -0.73 1.22 -0.00 -1.42 0.56 116.42 116.76 1vhj h ASP 172 Ca 0.23 0.01 0.10 0.00 -0.00 0.00 0.00 57.03 57.37 1vhj h ASP 172 Cb 0.31 0.09 -0.05 0.00 -0.00 0.00 0.00 39.33 39.69 1vhj h ASP 172 CO -0.01 -0.25 0.48 0.50 -0.00 0.00 0.00 179.24 179.96 1vhj h LYS 173 N -0.42 0.61 -0.50 0.28 3.64 -1.19 -1.41 116.57 117.58 1vhj h LYS 173 Ca -0.04 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1vhj h LYS 173 Cb 0.32 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1vhj h LYS 173 CO 0.07 0.40 0.00 0.66 -2.27 0.00 0.00 179.45 178.31 1vhj n TYR 174 N -4.49 0.69 -1.23 1.91 4.01 -0.86 -4.94 117.16 112.25 1vhj n TYR 174 Ca 0.12 -0.33 -0.03 0.00 -0.16 0.00 0.00 57.90 57.50 1vhj n TYR 174 Cb 0.34 -0.04 -0.01 0.00 -0.31 0.00 0.00 39.34 39.32 1vhj n TYR 174 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1vhj n GLY 175 N 1.16 0.56 3.70 2.72 0.00 -0.53 -5.00 105.19 107.80 1vhj n GLY 175 Ca 0.16 -0.91 -0.43 0.00 0.00 0.00 0.00 46.02 44.83 1vhj n GLY 175 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1vhj n ILE 176 N -3.08 0.96 0.14 -0.61 -0.00 0.14 -4.55 119.36 112.36 1vhj n ILE 176 Ca -0.03 -0.24 0.11 0.00 -0.00 0.00 0.00 62.75 62.59 1vhj n ILE 176 Cb 0.16 -1.70 0.05 0.00 -0.00 0.00 0.00 39.64 38.16 1vhj n ILE 176 CO 0.00 0.00 0.00 -0.37 -0.00 0.00 0.00 176.55 176.18 1vhj h VAL 177 N 3.19 0.03 -1.22 1.39 -1.51 -0.22 -3.40 116.25 114.51 1vhj h VAL 177 Ca -0.46 -1.05 0.21 0.00 -1.23 0.00 0.00 66.70 64.17 1vhj h VAL 177 Cb 1.25 1.68 -0.25 0.00 -2.13 0.00 0.00 31.29 31.84 1vhj h VAL 177 CO 0.78 0.02 0.85 -0.83 -1.23 0.00 0.00 177.57 177.15 1vhj s GLY 178 N -4.33 -0.04 -0.21 5.19 0.00 -1.25 -4.65 107.32 102.02 1vhj s GLY 178 Ca 0.02 2.48 -0.06 0.00 0.00 0.00 0.00 44.72 47.17 1vhj s GLY 178 CO 0.75 1.01 0.02 0.54 0.00 0.00 0.00 173.10 175.42 1vhj s VAL 179 N -1.23 4.05 0.00 1.40 0.11 0.20 -1.19 120.40 123.75 1vhj s VAL 179 Ca 0.07 -0.27 0.00 0.00 -2.93 0.00 0.00 61.98 58.84 1vhj s VAL 179 Cb -0.01 -2.85 0.00 0.00 -1.53 0.00 0.00 36.38 31.99 1vhj s VAL 179 CO -0.05 0.40 0.00 -1.84 -3.33 0.00 0.00 175.10 170.28 1vhj n GLU 180 N 4.43 1.29 0.00 1.54 -0.00 0.84 -1.59 120.64 127.16 1vhj n GLU 180 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.99 1vhj n GLU 180 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.96 1vhj n GLU 180 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1vhj n MET 181 N 0.00 -0.28 0.00 3.44 2.81 -1.26 -0.83 117.12 121.00 1vhj n MET 181 Ca 0.00 -0.18 0.00 0.00 -1.81 0.00 0.00 57.70 55.71 1vhj n MET 181 Cb 0.00 -0.66 0.00 0.00 -0.71 0.00 0.00 33.22 31.85 1vhj n MET 181 CO 0.00 0.00 0.00 -0.85 1.51 0.00 0.00 175.97 176.63 1vhj n GLU 182 N -0.00 3.35 -0.09 0.03 0.00 -1.26 -2.57 120.64 120.10 1vhj n GLU 182 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 57.16 57.10 1vhj n GLU 182 Cb 0.18 -0.58 0.00 0.00 0.00 0.00 0.00 31.44 31.04 1vhj n GLU 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1vhj h ALA 183 N 0.00 0.14 -0.30 -1.84 0.00 -1.94 0.57 119.26 115.89 1vhj h ALA 183 Ca 0.00 0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.07 1vhj h ALA 183 Cb 0.00 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1vhj h ALA 183 CO 0.00 -0.51 0.20 0.00 0.00 0.00 0.00 179.25 178.94 1vhj h ALA 184 N 1.21 1.98 -0.04 0.00 0.00 -1.83 0.09 119.26 120.68 1vhj h ALA 184 Ca 0.16 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.83 1vhj h ALA 184 Cb 0.32 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.06 1vhj h ALA 184 CO -0.38 -0.04 -0.92 0.78 0.00 0.00 0.00 179.25 178.70 1vhj h GLY 185 N 0.24 0.66 0.87 0.00 0.00 -1.28 -2.25 103.07 101.31 1vhj h GLY 185 Ca 0.13 -1.08 -0.03 0.00 0.00 0.00 0.00 47.33 46.35 1vhj h GLY 185 CO -0.02 0.96 0.05 -2.22 0.00 0.00 0.00 176.54 175.31 1vhj h ILE 186 N 0.36 1.22 -0.56 2.60 2.04 -0.20 -1.72 117.51 121.26 1vhj h ILE 186 Ca -0.09 -0.74 -0.01 0.00 1.00 0.00 0.00 64.86 65.03 1vhj h ILE 186 Cb 1.56 1.23 -0.03 0.00 -0.74 0.00 0.00 36.82 38.84 1vhj h ILE 186 CO 0.17 0.24 0.31 1.88 0.00 0.00 0.00 178.15 180.75 1vhj h TYR 187 N 0.23 0.74 -0.33 1.37 0.99 -1.07 0.64 116.97 119.54 1vhj h TYR 187 Ca 0.08 -0.01 -0.08 0.00 2.00 0.00 0.00 58.73 60.72 1vhj h TYR 187 Cb 0.31 -0.24 -0.01 0.00 1.00 0.00 0.00 36.73 37.79 1vhj h TYR 187 CO 0.02 0.52 -0.12 0.78 -0.00 0.00 0.00 178.16 179.35 1vhj h GLY 188 N 0.83 0.71 0.94 3.88 0.00 -1.20 -1.38 103.07 106.85 1vhj h GLY 188 Ca 0.20 -0.62 -0.02 0.00 0.00 0.00 0.00 47.33 46.89 1vhj h GLY 188 CO -0.03 0.56 0.16 -2.08 0.00 0.00 0.00 176.54 175.15 1vhj h VAL 189 N 0.43 1.18 -0.76 4.60 2.07 -0.85 -0.26 116.25 122.67 1vhj h VAL 189 Ca 0.08 -0.56 0.02 0.00 0.82 0.00 0.00 66.70 67.06 1vhj h VAL 189 Cb 0.64 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 31.23 1vhj h VAL 189 CO 0.04 0.20 0.50 0.00 0.02 0.00 0.00 177.57 178.33 1vhj h ALA 190 N 1.00 1.52 -0.04 1.67 0.00 -0.68 -0.72 119.26 122.02 1vhj h ALA 190 Ca 0.12 -0.04 -0.23 0.00 0.00 0.00 0.00 54.91 54.76 1vhj h ALA 190 Cb 0.17 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 17.69 1vhj h ALA 190 CO -0.01 0.42 -0.91 0.00 0.00 0.00 0.00 179.25 178.75 1vhj h ALA 191 N 1.55 0.32 -0.77 0.00 0.00 -1.03 0.16 119.26 119.49 1vhj h ALA 191 Ca 0.29 -0.67 -0.05 0.00 0.00 0.00 0.00 54.91 54.48 1vhj h ALA 191 Cb -0.01 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1vhj h ALA 191 CO -0.08 0.75 0.27 1.49 0.00 0.00 0.00 179.25 181.68 1vhj h GLU 192 N 0.34 1.17 -0.49 0.00 4.81 -0.32 -3.15 114.58 116.94 1vhj h GLU 192 Ca -0.08 -0.23 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 1vhj h GLU 192 Cb 1.54 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.74 1vhj h GLU 192 CO 0.17 0.97 0.00 0.66 -0.73 0.00 0.00 179.01 180.08 1vhj n TYR 193 N -4.26 0.65 -1.49 0.92 4.01 -0.34 -4.98 117.16 111.66 1vhj n TYR 193 Ca 0.07 -0.35 -0.07 0.00 -0.16 0.00 0.00 57.90 57.39 1vhj n TYR 193 Cb 0.21 -0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.22 1vhj n TYR 193 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1vhj n GLY 194 N 1.44 0.64 3.62 2.72 0.00 -0.73 -5.04 105.19 107.84 1vhj n GLY 194 Ca 0.20 -0.71 -0.18 0.00 0.00 0.00 0.00 46.02 45.33 1vhj n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vhj n ALA 195 N 0.34 1.05 -2.55 4.61 0.00 0.49 -5.02 120.51 119.43 1vhj n ALA 195 Ca -0.07 -1.93 -0.30 0.00 0.00 0.00 0.00 53.44 51.14 1vhj n ALA 195 Cb 0.33 0.51 -0.16 0.00 0.00 0.00 0.00 19.45 20.12 1vhj n ALA 195 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1vhj s LYS 196 N -4.48 2.11 0.08 0.00 1.02 -0.70 -4.49 119.74 113.27 1vhj s LYS 196 Ca 0.57 -0.84 -0.03 0.00 0.02 0.00 0.00 55.97 55.69 1vhj s LYS 196 Cb -0.04 -1.92 -0.03 0.00 -0.52 0.00 0.00 37.83 35.32 1vhj s LYS 196 CO 0.36 0.44 0.06 0.00 -0.92 0.00 0.00 175.35 175.29 1vhj s ALA 197 N -0.36 0.38 -0.17 5.17 0.00 -1.26 -1.80 121.76 123.72 1vhj s ALA 197 Ca 0.04 -1.11 -0.13 0.00 0.00 0.00 0.00 51.96 50.76 1vhj s ALA 197 Cb -0.11 0.47 0.05 0.00 0.00 0.00 0.00 23.12 23.53 1vhj s ALA 197 CO 0.01 -0.44 0.43 -1.17 0.00 0.00 0.00 175.76 174.58 1vhj s LEU 198 N -2.93 0.16 -0.19 0.00 2.96 -0.50 -1.39 118.68 116.79 1vhj s LEU 198 Ca 0.11 0.89 -0.00 0.00 -0.22 0.00 0.00 54.13 54.90 1vhj s LEU 198 Cb 0.07 1.44 0.01 0.00 0.50 0.00 0.00 46.19 48.21 1vhj s LEU 198 CO -0.07 -0.17 -0.15 0.00 -1.32 0.00 0.00 176.35 174.64 1vhj s ALA 199 N 0.70 2.48 -0.04 5.97 0.00 -1.26 -0.01 121.76 129.59 1vhj s ALA 199 Ca -0.04 -1.20 0.03 0.00 0.00 0.00 0.00 51.96 50.75 1vhj s ALA 199 Cb -0.05 -1.33 -0.03 0.00 0.00 0.00 0.00 23.12 21.71 1vhj s ALA 199 CO -0.05 -0.36 -0.11 0.42 0.00 0.00 0.00 175.76 175.66 1vhj s ILE 200 N 1.32 3.33 0.02 0.00 1.01 0.01 -1.32 121.20 125.57 1vhj s ILE 200 Ca 0.05 -0.67 -0.04 0.00 0.00 0.00 0.00 60.65 59.99 1vhj s ILE 200 Cb -0.13 -2.35 -0.01 0.00 0.01 0.00 0.00 42.46 39.98 1vhj s ILE 200 CO -0.09 0.56 0.06 0.00 0.00 0.00 0.00 174.94 175.46 1vhj s THR 202 N -1.83 3.67 -0.52 0.00 -1.32 -0.49 0.61 115.64 115.76 1vhj s THR 202 Ca -0.12 -0.48 -0.27 0.00 -1.21 0.00 0.00 61.69 59.61 1vhj s THR 202 Cb -0.06 -2.51 0.03 0.00 -1.51 0.00 0.00 72.50 68.45 1vhj s THR 202 CO -0.01 0.59 1.05 -0.69 -2.21 0.00 0.00 174.62 173.34 1vhj s VAL 203 N -0.64 4.26 -0.35 5.08 1.01 -0.02 -0.99 120.40 128.75 1vhj s VAL 203 Ca 0.10 0.78 0.23 0.00 0.00 0.00 0.00 61.98 63.08 1vhj s VAL 203 Cb -0.11 -4.58 -0.14 0.00 0.00 0.00 0.00 36.38 31.55 1vhj s VAL 203 CO 0.02 -1.09 0.89 -1.54 0.00 0.00 0.00 175.10 173.38 1vhj n SER 204 N 7.75 0.53 -3.60 3.32 3.41 -0.93 0.29 113.62 124.39 1vhj n SER 204 Ca 0.07 -0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.52 1vhj n SER 204 Cb 0.48 1.00 -0.07 0.00 -0.26 0.00 0.00 64.21 65.37 1vhj n SER 204 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1vhj s ASP 205 N -4.50 -0.58 -0.39 4.04 -0.00 -1.25 -3.95 116.67 110.04 1vhj s ASP 205 Ca -0.01 0.78 -0.13 0.00 -0.00 0.00 0.00 52.55 53.19 1vhj s ASP 205 Cb 0.13 0.73 0.02 0.00 -0.00 0.00 0.00 42.92 43.80 1vhj s ASP 205 CO 0.83 -0.46 0.25 -2.28 -0.00 0.00 0.00 175.17 173.50 1vhj s HIS 206 N -0.75 3.24 0.23 4.23 2.46 -0.54 -0.35 115.29 123.82 1vhj s HIS 206 Ca -0.08 -0.74 -0.06 0.00 0.47 0.00 0.00 55.06 54.65 1vhj s HIS 206 Cb -0.02 -2.51 0.23 0.00 -0.13 0.00 0.00 32.58 30.14 1vhj s HIS 206 CO 0.06 -0.60 1.81 0.82 -2.47 0.00 0.00 174.74 174.36 1vhj h ILE 207 N 5.74 1.25 0.12 0.89 2.04 -0.86 -1.51 117.51 125.17 1vhj h ILE 207 Ca -0.27 -0.77 -0.28 0.00 1.00 0.00 0.00 64.86 64.55 1vhj h ILE 207 Cb 1.12 0.30 -0.00 0.00 -0.74 0.00 0.00 36.82 37.49 1vhj h ILE 207 CO 0.69 0.32 -1.32 0.50 0.00 0.00 0.00 178.15 178.34 1vhj h LYS 208 N 1.12 0.25 -0.02 2.37 3.64 -1.83 -3.37 116.57 118.73 1vhj h LYS 208 Ca 0.26 -0.42 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 1vhj h LYS 208 Cb 0.18 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 1vhj h LYS 208 CO -0.03 1.17 -0.18 0.25 -2.27 0.00 0.00 179.45 178.39 1vhj n THR 209 N -3.49 0.00 -1.65 1.00 -2.24 -1.23 -4.99 114.28 101.68 1vhj n THR 209 Ca -0.10 -0.41 -0.11 0.00 -2.27 0.00 0.00 64.05 61.16 1vhj n THR 209 Cb 1.03 1.27 -0.03 0.00 -2.10 0.00 0.00 70.33 70.50 1vhj n THR 209 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1vhj n GLY 210 N 1.08 0.74 3.74 3.38 0.00 -0.57 -4.99 105.19 108.56 1vhj n GLY 210 Ca 0.08 -0.49 -0.41 0.00 0.00 0.00 0.00 46.02 45.21 1vhj n GLY 210 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1vhj s GLU 211 N -3.54 4.72 0.38 1.61 0.41 -1.20 -4.91 118.70 116.18 1vhj s GLU 211 Ca 0.00 1.52 0.04 0.00 -0.41 0.00 0.00 54.97 56.12 1vhj s GLU 211 Cb 0.00 -3.33 -0.05 0.00 -1.78 0.00 0.00 34.13 28.97 1vhj s GLU 211 CO 0.00 0.27 0.06 1.14 -0.49 0.00 0.00 175.26 176.24 1vhj s GLN 212 N -0.41 1.84 0.01 1.61 1.03 -1.26 -1.46 119.66 121.01 1vhj s GLN 212 Ca 0.46 -2.08 -0.02 0.00 0.04 0.00 0.00 55.36 53.76 1vhj s GLN 212 Cb -0.25 -1.00 -0.01 0.00 0.03 0.00 0.00 33.01 31.78 1vhj s GLN 212 CO 0.32 -0.27 0.02 0.95 -2.54 0.00 0.00 175.29 173.77 1vhj s THR 213 N -3.14 0.09 1.29 3.63 -4.23 -1.25 -5.01 115.64 107.03 1vhj s THR 213 Ca 0.29 -0.76 -0.17 0.00 -1.18 0.00 0.00 61.69 59.86 1vhj s THR 213 Cb 0.06 -0.29 0.32 0.00 1.34 0.00 0.00 72.50 73.93 1vhj s THR 213 CO 0.14 -0.42 0.90 1.07 -0.54 0.00 0.00 174.62 175.77 1vhj n THR 214 N 1.69 0.00 0.11 3.99 5.66 -1.26 -4.85 114.28 119.62 1vhj n THR 214 Ca -0.23 -0.32 -0.01 0.00 -3.05 0.00 0.00 64.05 60.45 1vhj n THR 214 Cb 0.56 -0.97 -0.02 0.00 -1.55 0.00 0.00 70.33 68.34 1vhj n THR 214 CO 0.00 0.00 0.00 -1.28 -3.05 0.00 0.00 175.07 170.74 1vhj h SER 215 N -3.04 0.00 0.25 1.09 0.87 -2.02 -2.99 113.55 107.71 1vhj h SER 215 Ca -0.55 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.00 1vhj h SER 215 Cb 1.33 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.29 1vhj h SER 215 CO 0.40 0.66 -0.12 -0.33 -0.53 0.00 0.00 176.83 176.91 1vhj h GLU 216 N 0.00 -0.33 -0.89 2.24 3.07 -2.00 -1.76 114.58 114.92 1vhj h GLU 216 Ca -0.01 0.02 0.07 0.00 -0.50 0.00 0.00 59.36 58.94 1vhj h GLU 216 Cb 1.51 0.07 -0.06 0.00 -0.84 0.00 0.00 28.75 29.43 1vhj h GLU 216 CO 0.08 -0.02 0.55 1.05 -1.40 0.00 0.00 179.01 179.28 1vhj h GLU 217 N -0.64 0.96 -0.59 2.33 4.11 -1.94 -2.03 114.58 116.79 1vhj h GLU 217 Ca -0.03 -0.06 -0.06 0.00 0.07 0.00 0.00 59.36 59.28 1vhj h GLU 217 Cb 0.46 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 1vhj h GLU 217 CO 0.06 0.64 0.13 -0.09 0.07 0.00 0.00 179.01 179.82 1vhj h ARG 218 N 0.99 0.92 -0.24 1.06 2.43 -1.47 -0.55 114.38 117.53 1vhj h ARG 218 Ca 0.39 -0.20 -0.03 0.00 -0.81 0.00 0.00 59.98 59.33 1vhj h ARG 218 Cb 0.20 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 1vhj h ARG 218 CO -0.18 0.83 0.04 0.37 -1.51 0.00 0.00 179.97 179.52 1vhj h GLN 219 N 0.88 0.40 -0.33 0.20 5.75 -0.62 -1.12 115.11 120.27 1vhj h GLN 219 Ca 0.19 -0.11 -0.03 0.00 -0.15 0.00 0.00 58.65 58.55 1vhj h GLN 219 Cb 0.34 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.83 1vhj h GLN 219 CO 0.00 0.54 0.09 -0.91 -2.65 0.00 0.00 178.83 175.90 1vhj h ASN 220 N 0.20 0.49 -0.45 -0.69 -0.26 -1.14 0.18 115.58 113.90 1vhj h ASN 220 Ca 0.07 -0.22 -0.09 0.00 -0.56 0.00 0.00 56.30 55.50 1vhj h ASN 220 Cb 0.33 -0.13 -0.02 0.00 -1.06 0.00 0.00 38.32 37.44 1vhj h ASN 220 CO 0.01 0.58 -0.03 0.00 -1.06 0.00 0.00 177.43 176.92 1vhj h THR 221 N 0.37 1.26 -0.68 2.81 1.03 -1.11 -0.88 112.91 115.70 1vhj h THR 221 Ca 0.10 -1.11 -0.01 0.00 -0.01 0.00 0.00 66.41 65.39 1vhj h THR 221 Cb 0.28 0.90 -0.03 0.00 -1.07 0.00 0.00 68.15 68.22 1vhj h THR 221 CO -0.00 0.39 0.39 0.15 -0.01 0.00 0.00 175.52 176.44 1vhj h PHE 222 N 0.81 0.92 -0.97 0.00 3.57 -1.00 -1.64 116.94 118.63 1vhj h PHE 222 Ca 0.15 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.64 1vhj h PHE 222 Cb 0.53 -0.30 -0.05 0.00 2.79 0.00 0.00 35.95 38.92 1vhj h PHE 222 CO 0.03 0.64 0.65 -0.91 -2.23 0.00 0.00 178.31 176.49 1vhj h ASN 223 N 0.93 1.11 -0.30 0.41 -0.26 0.23 -2.30 115.58 115.40 1vhj h ASN 223 Ca 0.24 -0.03 -0.01 0.00 -0.56 0.00 0.00 56.30 55.94 1vhj h ASN 223 Cb 0.01 -0.28 -0.01 0.00 -1.06 0.00 0.00 38.32 36.99 1vhj h ASN 223 CO -0.04 0.80 0.14 -0.33 -1.06 0.00 0.00 177.43 176.93 1vhj h GLU 224 N 1.31 0.44 -0.35 0.81 5.08 -0.46 -2.85 114.58 118.56 1vhj h GLU 224 Ca 0.36 -0.07 0.05 0.00 -1.00 0.00 0.00 59.36 58.71 1vhj h GLU 224 Cb -0.14 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 28.99 1vhj h GLU 224 CO -0.08 0.43 0.05 1.98 -1.00 0.00 0.00 179.01 180.39 1vhj h MET 225 N 0.34 0.16 -0.89 2.33 1.85 -0.95 -1.06 114.93 116.72 1vhj h MET 225 Ca 0.10 -0.01 -0.02 0.00 -0.61 0.00 0.00 59.70 59.17 1vhj h MET 225 Cb 0.14 -0.04 -0.04 0.00 0.43 0.00 0.00 31.60 32.09 1vhj h MET 225 CO -0.01 0.11 0.49 0.82 -0.40 0.00 0.00 176.91 177.92 1vhj h ILE 226 N 0.16 1.26 -0.37 1.77 1.08 -1.35 -0.98 117.51 119.07 1vhj h ILE 226 Ca 0.17 -0.63 -0.09 0.00 -0.39 0.00 0.00 64.86 63.92 1vhj h ILE 226 Cb 0.20 0.05 -0.02 0.00 -3.07 0.00 0.00 36.82 33.98 1vhj h ILE 226 CO -0.23 0.29 -0.16 -0.33 -0.69 0.00 0.00 178.15 177.02 1vhj h GLU 227 N 1.24 0.68 0.19 2.37 5.08 -1.20 -1.04 114.58 121.92 1vhj h GLU 227 Ca 0.31 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1vhj h GLU 227 Cb 0.02 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1vhj h GLU 227 CO -0.05 0.81 -0.09 0.82 -1.00 0.00 0.00 179.01 179.49 1vhj h ILE 228 N 0.61 0.83 -0.03 3.13 2.04 -0.65 0.91 117.51 124.35 1vhj h ILE 228 Ca 0.10 -0.10 0.03 0.00 1.00 0.00 0.00 64.86 65.89 1vhj h ILE 228 Cb 0.62 0.89 -0.04 0.00 -0.74 0.00 0.00 36.82 37.55 1vhj h ILE 228 CO 0.04 0.02 -0.20 0.00 0.00 0.00 0.00 178.15 178.01 1vhj h ALA 229 N 0.50 -0.23 -0.65 1.87 0.00 -1.03 0.24 119.26 119.96 1vhj h ALA 229 Ca -0.03 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1vhj h ALA 229 Cb 0.24 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1vhj h ALA 229 CO 0.04 -0.69 0.39 -0.07 0.00 0.00 0.00 179.25 178.93 1vhj h LEU 230 N -0.31 0.78 -1.06 0.00 3.38 -1.03 -2.00 115.31 115.07 1vhj h LEU 230 Ca 0.07 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1vhj h LEU 230 Cb 0.40 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 1vhj h LEU 230 CO -0.21 0.61 0.34 0.44 0.09 0.00 0.00 178.44 179.71 1vhj h ASP 231 N 0.88 0.91 0.04 -0.43 3.32 -0.10 -2.02 116.42 119.02 1vhj h ASP 231 Ca 0.23 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 1vhj h ASP 231 Cb -0.02 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 1vhj h ASP 231 CO -0.04 0.77 -0.07 0.77 -1.72 0.00 0.00 179.24 178.94 1vhj h SER 232 N 1.00 0.09 -0.34 6.45 4.64 0.11 -1.89 113.55 123.61 1vhj h SER 232 Ca 0.24 -0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.52 1vhj h SER 232 Cb 0.10 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.16 1vhj h SER 232 CO -0.03 0.18 0.08 0.58 -0.87 0.00 0.00 176.83 176.77 1vhj h VAL 233 N 0.10 1.22 -0.50 0.95 2.07 -0.68 0.12 116.25 119.53 1vhj h VAL 233 Ca 0.02 -0.76 -0.08 0.00 0.82 0.00 0.00 66.70 66.71 1vhj h VAL 233 Cb 0.20 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 1vhj h VAL 233 CO 0.01 0.25 0.02 -0.07 0.02 0.00 0.00 177.57 177.80 1vhj h LEU 234 N 0.39 0.85 -1.10 2.57 3.38 -1.35 -1.30 115.31 118.76 1vhj h LEU 234 Ca 0.11 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 1vhj h LEU 234 Cb 0.30 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1vhj h LEU 234 CO 0.00 0.94 0.34 0.40 0.09 0.00 0.00 178.44 180.21 1vhj h ILE 235 N 0.74 1.22 -0.14 1.22 2.04 -1.27 -2.09 117.51 119.22 1vhj h ILE 235 Ca 0.15 -0.60 -0.06 0.00 1.00 0.00 0.00 64.86 65.34 1vhj h ILE 235 Cb 0.49 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 1vhj h ILE 235 CO 0.02 0.26 -0.20 1.23 0.00 0.00 0.00 178.15 179.46 1vhj h GLY 236 N 1.03 0.26 1.44 5.37 0.00 0.16 -2.89 103.07 108.44 1vhj h GLY 236 Ca 0.24 -0.18 -0.14 0.00 0.00 0.00 0.00 47.33 47.25 1vhj h GLY 236 CO -0.03 0.17 -0.42 -0.55 0.00 0.00 0.00 176.54 175.70 1vhj h ASP 237 N 0.22 0.66 0.00 0.19 3.32 -0.56 -3.51 116.42 116.74 1vhj h ASP 237 Ca 0.04 -0.30 0.00 0.00 0.02 0.00 0.00 57.03 56.79 1vhj h ASP 237 Cb 0.48 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1vhj h ASP 237 CO 0.03 1.00 0.00 0.00 -1.72 0.00 0.00 179.24 178.55