#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 2.34 0.32 0.00 -4.23 -1.02 -5.01 115.64 108.05 1vhj s THR 3 Ca 0.00 -0.51 0.04 0.00 -1.18 0.00 0.00 61.69 60.05 1vhj s THR 3 Cb 0.00 -2.84 0.13 0.00 1.34 0.00 0.00 72.50 71.13 1vhj s THR 3 CO 0.00 0.00 1.83 1.55 -0.54 0.00 0.00 174.62 177.46 1vhj h PRO 4 N -0.40 0.49 -0.01 3.99 0.13 -2.02 -3.27 132.00 130.91 1vhj h PRO 4 Ca -0.41 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 1vhj h PRO 4 Cb 1.29 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1vhj h PRO 4 CO 0.49 0.58 -0.32 0.72 -0.23 0.00 0.00 178.00 179.25 1vhj n HIS 5 N -4.23 0.00 -3.80 1.56 8.25 -1.26 -4.91 115.22 110.83 1vhj n HIS 5 Ca 0.01 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.21 1vhj n HIS 5 Cb 0.30 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.24 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 -1.68 0.64 -1.07 1.59 1.01 -1.23 -4.69 121.20 115.77 1vhj s ILE 6 Ca 0.09 -0.27 -0.04 0.00 0.00 0.00 0.00 60.65 60.44 1vhj s ILE 6 Cb 0.10 -0.88 0.17 0.00 0.01 0.00 0.00 42.46 41.86 1vhj s ILE 6 CO 0.35 0.11 2.29 -0.46 0.00 0.00 0.00 174.94 177.24 1vhj n ASN 7 N 5.04 7.59 -4.42 3.58 6.94 -1.26 -2.43 115.26 130.30 1vhj n ASN 7 Ca -0.09 -3.33 -0.29 0.00 -0.02 0.00 0.00 54.58 50.85 1vhj n ASN 7 Cb 0.49 -1.27 -0.08 0.00 -2.36 0.00 0.00 39.78 36.55 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 -2.23 3.44 0.16 -2.53 0.00 -1.26 -4.73 121.76 114.61 1vhj s ALA 8 Ca 0.51 -0.91 0.08 0.00 0.00 0.00 0.00 51.96 51.64 1vhj s ALA 8 Cb 0.24 0.41 -0.04 0.00 0.00 0.00 0.00 23.12 23.73 1vhj s ALA 8 CO -0.15 -0.19 -0.09 -0.65 0.00 0.00 0.00 175.76 174.68 1vhj s GLN 9 N -3.79 2.10 0.17 0.00 -0.21 -1.26 0.64 119.66 117.31 1vhj s GLN 9 Ca 0.16 -1.19 -0.33 0.00 0.02 0.00 0.00 55.36 54.02 1vhj s GLN 9 Cb 0.02 -2.21 -0.14 0.00 1.00 0.00 0.00 33.01 31.68 1vhj s GLN 9 CO 0.10 0.46 1.44 -0.12 -2.12 0.00 0.00 175.29 175.04 1vhj n MET 10 N 0.23 1.81 0.00 2.91 0.00 -1.26 -0.12 117.12 120.69 1vhj n MET 10 Ca -0.12 0.65 0.00 0.00 -0.00 0.00 0.00 57.70 58.23 1vhj n MET 10 Cb 0.54 -2.33 0.00 0.00 0.00 0.00 0.00 33.22 31.43 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 2.72 2.90 0.29 -5.12 0.00 -1.26 -4.91 105.19 99.80 1vhj n GLY 11 Ca 0.15 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.11 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 0.18 0.91 -3.37 1.61 3.32 -0.90 -3.43 116.42 114.74 1vhj h ASP 12 Ca 0.00 -0.17 -0.51 0.00 0.02 0.00 0.00 57.03 56.37 1vhj h ASP 12 Cb 0.00 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 1vhj h ASP 12 CO 0.00 0.83 -0.06 -0.36 -1.72 0.00 0.00 179.24 177.93 1vhj s PHE 13 N -5.57 3.47 0.96 4.55 0.40 -1.26 -4.72 117.98 115.82 1vhj s PHE 13 Ca -0.13 0.78 -0.16 0.00 -0.60 0.00 0.00 56.93 56.82 1vhj s PHE 13 Cb 0.14 -2.22 0.20 0.00 0.51 0.00 0.00 43.02 41.65 1vhj s PHE 13 CO 0.81 0.09 1.33 0.00 0.70 0.00 0.00 175.22 178.15 1vhj s ALA 14 N -2.16 2.22 -0.86 5.36 0.00 -1.26 -4.95 121.76 120.12 1vhj s ALA 14 Ca 0.46 -1.21 0.26 0.00 0.00 0.00 0.00 51.96 51.47 1vhj s ALA 14 Cb -0.11 -2.77 1.00 0.00 0.00 0.00 0.00 23.12 21.24 1vhj s ALA 14 CO 0.30 -2.45 1.81 -0.40 0.00 0.00 0.00 175.76 175.01 1vhj n ASP 15 N -3.78 0.36 -4.24 0.00 3.85 -1.26 -4.65 116.55 106.83 1vhj n ASP 15 Ca 0.15 0.54 -0.32 0.00 -0.71 0.00 0.00 54.79 54.46 1vhj n ASP 15 Cb 0.59 -0.64 -0.17 0.00 -1.35 0.00 0.00 41.12 39.56 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 -3.06 2.04 -0.04 2.12 0.11 -1.26 -0.09 120.40 120.22 1vhj s VAL 16 Ca 0.11 -1.03 0.01 0.00 -2.93 0.00 0.00 61.98 58.14 1vhj s VAL 16 Cb 0.15 -1.75 0.02 0.00 -1.53 0.00 0.00 36.38 33.27 1vhj s VAL 16 CO 0.51 0.56 -0.06 -0.69 -3.33 0.00 0.00 175.10 172.10 1vhj s VAL 17 N 0.10 0.61 -0.07 2.04 1.01 0.14 -2.04 120.40 122.20 1vhj s VAL 17 Ca -0.11 -0.19 -0.15 0.00 0.00 0.00 0.00 61.98 61.52 1vhj s VAL 17 Cb -0.16 -0.61 -0.05 0.00 0.00 0.00 0.00 36.38 35.56 1vhj s VAL 17 CO 0.06 0.23 0.40 -0.76 0.00 0.00 0.00 175.10 175.04 1vhj s LEU 18 N 0.74 4.37 -0.32 3.92 1.02 -0.13 -0.77 118.68 127.51 1vhj s LEU 18 Ca -0.11 0.83 -0.01 0.00 0.02 0.00 0.00 54.13 54.86 1vhj s LEU 18 Cb -0.13 -2.57 0.10 0.00 0.02 0.00 0.00 46.19 43.61 1vhj s LEU 18 CO 0.01 0.19 0.12 -0.04 0.02 0.00 0.00 176.35 176.65 1vhj s MET 19 N -0.30 0.59 0.77 1.70 -1.94 0.47 -1.53 119.30 119.06 1vhj s MET 19 Ca 0.23 -1.00 -0.12 0.00 -1.71 0.00 0.00 55.69 53.09 1vhj s MET 19 Cb -0.15 -1.74 0.05 0.00 2.01 0.00 0.00 34.83 35.00 1vhj s MET 19 CO 0.11 -1.02 1.11 -1.25 -0.01 0.00 0.00 175.02 173.95 1vhj s PRO 20 N 1.63 2.32 0.07 2.03 0.04 -1.25 -1.67 135.00 138.17 1vhj s PRO 20 Ca 0.11 0.52 -0.07 0.00 0.04 0.00 0.00 61.00 61.59 1vhj s PRO 20 Cb -0.18 -1.96 -0.29 0.00 0.04 0.00 0.00 34.50 32.11 1vhj s PRO 20 CO -0.25 -1.43 1.11 0.78 0.04 0.00 0.00 177.00 177.25 1vhj h GLY 21 N -0.94 0.41 -5.83 0.56 0.00 -1.82 -1.99 103.07 93.46 1vhj h GLY 21 Ca -0.46 -1.01 -0.59 0.00 0.00 0.00 0.00 47.33 45.27 1vhj h GLY 21 CO 0.62 0.89 0.61 -0.35 0.00 0.00 0.00 176.54 178.31 1vhj s ASP 22 N -7.26 6.84 0.43 0.19 -1.08 -1.26 -1.48 116.67 113.04 1vhj s ASP 22 Ca -0.05 0.95 0.13 0.00 -0.52 0.00 0.00 52.55 53.06 1vhj s ASP 22 Cb 0.06 -2.48 1.01 0.00 -1.46 0.00 0.00 42.92 40.06 1vhj s ASP 22 CO 0.90 -0.69 1.99 1.55 0.52 0.00 0.00 175.17 179.44 1vhj h PRO 23 N 7.94 0.41 0.00 4.34 0.13 -1.88 0.36 132.00 143.31 1vhj h PRO 23 Ca -0.22 -0.02 -0.07 0.00 -0.87 0.00 0.00 66.00 64.82 1vhj h PRO 23 Cb 1.08 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.11 1vhj h PRO 23 CO 0.95 0.27 -0.32 -0.07 -0.23 0.00 0.00 178.00 178.60 1vhj h LEU 24 N 0.42 0.00 -0.46 1.56 3.38 -1.92 -1.91 115.31 116.38 1vhj h LEU 24 Ca 0.26 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.06 1vhj h LEU 24 Cb 0.46 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1vhj h LEU 24 CO -0.07 0.32 -0.49 0.03 0.09 0.00 0.00 178.44 178.32 1vhj h ARG 25 N 0.00 0.72 -0.88 1.13 2.47 -0.71 -1.79 114.38 115.33 1vhj h ARG 25 Ca -0.00 -0.42 -0.02 0.00 -1.26 0.00 0.00 59.98 58.27 1vhj h ARG 25 Cb 0.75 0.04 -0.04 0.00 -1.65 0.00 0.00 29.97 29.07 1vhj h ARG 25 CO 0.04 1.05 0.46 0.00 0.56 0.00 0.00 179.97 182.08 1vhj h ALA 26 N 0.88 1.13 -0.38 0.04 0.00 -0.86 -0.19 119.26 119.88 1vhj h ALA 26 Ca 0.03 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1vhj h ALA 26 Cb 1.05 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1vhj h ALA 26 CO 0.10 0.67 0.08 -0.22 0.00 0.00 0.00 179.25 179.88 1vhj h LYS 27 N 1.24 0.61 -0.52 0.00 3.64 -1.22 -0.82 116.57 119.51 1vhj h LYS 27 Ca 0.31 -0.15 -0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1vhj h LYS 27 Cb 0.07 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 1vhj h LYS 27 CO -0.04 0.65 0.31 -0.92 -2.27 0.00 0.00 179.45 177.18 1vhj h TYR 28 N 0.47 0.69 -0.32 1.91 5.03 -0.86 -1.41 116.97 122.48 1vhj h TYR 28 Ca 0.12 -0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.40 1vhj h TYR 28 Cb 0.32 -0.23 -0.01 0.00 1.55 0.00 0.00 36.73 38.36 1vhj h TYR 28 CO 0.02 0.48 0.12 0.82 -1.32 0.00 0.00 178.16 178.28 1vhj h ILE 29 N 0.70 1.19 -0.47 1.81 2.04 -0.96 -1.59 117.51 120.21 1vhj h ILE 29 Ca 0.19 -0.58 0.04 0.00 1.00 0.00 0.00 64.86 65.50 1vhj h ILE 29 Cb -0.00 0.98 -0.04 0.00 -0.74 0.00 0.00 36.82 37.02 1vhj h ILE 29 CO -0.03 0.20 0.24 0.00 0.00 0.00 0.00 178.15 178.56 1vhj h ALA 30 N 0.96 0.59 -0.18 1.87 0.00 -0.97 -0.43 119.26 121.10 1vhj h ALA 30 Ca 0.10 0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.82 1vhj h ALA 30 Cb 0.20 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.93 1vhj h ALA 30 CO -0.01 -0.11 -0.71 0.93 0.00 0.00 0.00 179.25 179.35 1vhj h GLU 31 N 0.47 0.77 0.00 0.00 5.08 -1.23 -3.17 114.58 116.50 1vhj h GLU 31 Ca 0.20 -0.59 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 1vhj h GLU 31 Cb 0.11 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1vhj h GLU 31 CO -0.14 1.20 -1.85 0.09 -1.00 0.00 0.00 179.01 177.31 1vhj n ASN 32 N -3.94 0.19 -0.00 1.42 3.02 -0.60 -4.66 115.26 110.68 1vhj n ASN 32 Ca -0.06 -0.14 0.01 0.00 -0.03 0.00 0.00 54.58 54.36 1vhj n ASN 32 Cb 0.71 1.85 -0.02 0.00 -0.61 0.00 0.00 39.78 41.71 1vhj n ASN 32 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1vhj n PHE 33 N -2.15 0.00 -4.02 3.10 3.01 -0.18 -5.04 117.46 112.18 1vhj n PHE 33 Ca -0.03 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.17 1vhj n PHE 33 Cb 0.53 -0.08 -0.04 0.00 -0.01 0.00 0.00 39.48 39.88 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 -3.42 4.05 -0.16 4.37 1.43 -1.14 -4.80 118.68 119.01 1vhj s LEU 34 Ca -0.01 -0.00 -0.10 0.00 -1.03 0.00 0.00 54.13 52.99 1vhj s LEU 34 Cb 0.02 -2.64 -0.05 0.00 0.03 0.00 0.00 46.19 43.55 1vhj s LEU 34 CO 0.12 0.05 0.18 -1.81 0.23 0.00 0.00 176.35 175.12 1vhj s ASP 35 N -3.22 6.34 -1.55 2.29 1.01 0.70 -4.52 116.67 117.72 1vhj s ASP 35 Ca 0.33 0.40 -0.14 0.00 0.71 0.00 0.00 52.55 53.84 1vhj s ASP 35 Cb -0.10 -2.11 0.09 0.00 1.01 0.00 0.00 42.92 41.81 1vhj s ASP 35 CO 0.26 0.25 0.96 0.59 0.21 0.00 0.00 175.17 177.44 1vhj n ASN 36 N 2.93 -4.72 -4.75 0.27 3.02 -1.26 -1.55 115.26 109.20 1vhj n ASN 36 Ca -0.16 -0.79 -0.41 0.00 -0.03 0.00 0.00 54.58 53.19 1vhj n ASN 36 Cb 0.53 -3.77 -0.04 0.00 -0.61 0.00 0.00 39.78 35.89 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 -3.29 3.42 -0.02 5.41 0.00 -1.26 -4.67 121.76 121.35 1vhj s ALA 37 Ca 0.67 0.94 0.06 0.00 0.00 0.00 0.00 51.96 53.63 1vhj s ALA 37 Cb -0.34 -3.37 -0.01 0.00 0.00 0.00 0.00 23.12 19.39 1vhj s ALA 37 CO 0.83 -0.28 -0.20 0.54 0.00 0.00 0.00 175.76 176.65 1vhj s VAL 38 N -0.64 1.59 0.24 0.00 0.11 -0.31 -4.92 120.40 116.48 1vhj s VAL 38 Ca 0.48 -0.85 -0.30 0.00 -2.93 0.00 0.00 61.98 58.38 1vhj s VAL 38 Cb -0.32 -1.32 -0.11 0.00 -1.53 0.00 0.00 36.38 33.10 1vhj s VAL 38 CO 0.40 0.45 1.53 -1.58 -3.33 0.00 0.00 175.10 172.56 1vhj s GLN 39 N -0.42 4.20 0.00 1.54 0.74 -1.26 -1.30 119.66 123.16 1vhj s GLN 39 Ca 0.07 2.42 0.03 0.00 0.05 0.00 0.00 55.36 57.92 1vhj s GLN 39 Cb -0.08 -3.09 -0.02 0.00 1.10 0.00 0.00 33.01 30.91 1vhj s GLN 39 CO -0.00 -0.54 0.18 1.33 -0.55 0.00 0.00 175.29 175.70 1vhj n VAL 40 N 2.68 0.00 -3.51 1.34 0.24 0.12 -4.89 118.33 114.30 1vhj n VAL 40 Ca 0.09 -0.44 -0.14 0.00 -2.04 0.00 0.00 64.34 61.81 1vhj n VAL 40 Cb 0.39 1.01 -0.05 0.00 -1.47 0.00 0.00 33.84 33.72 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 0.49 0.00 -4.70 0.00 3.85 -1.26 -2.24 116.55 112.70 1vhj n ASP 42 Ca -0.16 -1.13 -0.43 0.00 -0.71 0.00 0.00 54.79 52.37 1vhj n ASP 42 Cb 0.59 -0.03 -0.02 0.00 -1.35 0.00 0.00 41.12 40.32 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 0.97 -2.04 2.12 0.31 -1.26 -1.14 118.33 117.30 1vhj n VAL 43 Ca 0.00 -0.24 -0.20 0.00 -0.01 0.00 0.00 64.34 63.89 1vhj n VAL 43 Cb 0.53 -1.70 -0.04 0.00 -0.91 0.00 0.00 33.84 31.71 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 2.11 -1.49 -1.60 5.55 1.74 -1.26 -0.92 116.66 120.78 1vhj n ARG 44 Ca 0.10 1.06 -0.21 0.00 -0.77 0.00 0.00 57.85 58.03 1vhj n ARG 44 Cb 0.34 -5.54 -0.09 0.00 -1.02 0.00 0.00 32.46 26.15 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 -1.52 -5.43 -4.43 0.55 3.02 -0.29 -4.88 115.26 102.28 1vhj n ASN 45 Ca -0.22 0.51 -0.44 0.00 -0.03 0.00 0.00 54.58 54.40 1vhj n ASN 45 Cb 0.66 -4.80 -0.02 0.00 -0.61 0.00 0.00 39.78 35.01 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 -3.75 3.61 0.32 3.52 1.75 -0.10 -4.83 119.30 119.82 1vhj s MET 46 Ca 0.00 -1.88 -0.29 0.00 -1.25 0.00 0.00 55.69 52.27 1vhj s MET 46 Cb 0.00 -4.84 -0.10 0.00 2.84 0.00 0.00 34.83 32.72 1vhj s MET 46 CO 0.00 -1.70 1.40 -0.06 -0.65 0.00 0.00 175.02 174.01 1vhj s PHE 47 N 2.27 2.89 -0.01 4.11 2.99 -1.26 -4.05 117.98 124.93 1vhj s PHE 47 Ca 0.31 1.23 0.01 0.00 0.00 0.00 0.00 56.93 58.47 1vhj s PHE 47 Cb -0.06 -3.83 0.00 0.00 0.00 0.00 0.00 43.02 39.14 1vhj s PHE 47 CO -0.09 -2.45 -0.01 0.20 -0.00 0.00 0.00 175.22 172.87 1vhj s GLY 48 N -0.15 0.10 0.04 4.36 0.00 -0.95 -1.71 107.32 109.01 1vhj s GLY 48 Ca 0.53 -0.03 0.02 0.00 0.00 0.00 0.00 44.72 45.23 1vhj s GLY 48 CO 0.54 0.04 -0.07 -0.19 0.00 0.00 0.00 173.10 173.42 1vhj s TYR 49 N 0.12 0.57 -0.11 1.90 1.51 0.15 0.11 117.35 121.59 1vhj s TYR 49 Ca -0.01 -0.51 0.01 0.00 -1.01 0.00 0.00 57.07 55.55 1vhj s TYR 49 Cb -0.03 -0.35 0.02 0.00 -0.11 0.00 0.00 41.96 41.50 1vhj s TYR 49 CO -0.00 -0.11 -0.12 0.99 -1.11 0.00 0.00 175.55 175.20 1vhj s THR 50 N -1.42 1.30 0.00 -0.71 2.01 -0.42 -0.51 115.64 115.90 1vhj s THR 50 Ca -0.11 -0.49 0.00 0.00 0.31 0.00 0.00 61.69 61.39 1vhj s THR 50 Cb -0.10 -1.24 0.00 0.00 0.01 0.00 0.00 72.50 71.17 1vhj s THR 50 CO -0.00 0.41 0.00 0.61 -0.69 0.00 0.00 174.62 174.95 1vhj n GLY 51 N 4.55 5.26 2.90 4.40 0.00 0.02 -1.16 105.19 121.16 1vhj n GLY 51 Ca -0.17 -1.08 -0.12 0.00 0.00 0.00 0.00 46.02 44.65 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 0.83 -0.00 -0.26 2.61 -1.32 -0.60 -0.99 115.64 115.92 1vhj s THR 52 Ca 0.00 0.00 0.03 0.00 -1.21 0.00 0.00 61.69 60.51 1vhj s THR 52 Cb 0.00 -0.05 0.06 0.00 -1.51 0.00 0.00 72.50 71.00 1vhj s THR 52 CO 0.00 0.00 -0.11 -0.47 -2.21 0.00 0.00 174.62 171.83 1vhj s TYR 53 N 0.03 3.22 -1.49 9.09 6.14 0.09 -0.21 117.35 134.22 1vhj s TYR 53 Ca -0.00 -2.29 -0.11 0.00 0.64 0.00 0.00 57.07 55.31 1vhj s TYR 53 Cb -0.00 -1.92 0.07 0.00 0.42 0.00 0.00 41.96 40.53 1vhj s TYR 53 CO -0.00 -0.87 0.94 1.63 0.64 0.00 0.00 175.55 177.89 1vhj n LYS 54 N 4.45 -5.51 0.00 4.97 5.02 -1.26 -0.90 118.16 124.93 1vhj n LYS 54 Ca -0.14 0.61 0.00 0.00 -2.02 0.00 0.00 58.31 56.76 1vhj n LYS 54 Cb 0.42 -5.44 0.00 0.00 -0.02 0.00 0.00 35.03 29.99 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 -1.69 2.07 3.67 0.72 0.00 -1.26 -5.02 105.19 103.67 1vhj n GLY 55 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.38 4.12 0.06 1.61 3.00 -0.08 -5.04 118.95 122.24 1vhj s ARG 56 Ca 0.00 -0.09 -0.31 0.00 -1.00 0.00 0.00 55.73 54.34 1vhj s ARG 56 Cb 0.00 -3.53 -0.08 0.00 0.00 0.00 0.00 34.95 31.34 1vhj s ARG 56 CO 0.00 0.03 1.62 0.50 0.00 0.00 0.00 175.30 177.46 1vhj s ARG 57 N 1.12 4.21 0.01 5.12 3.52 -1.26 -0.74 118.95 130.93 1vhj s ARG 57 Ca 0.12 2.29 0.00 0.00 -0.13 0.00 0.00 55.73 58.01 1vhj s ARG 57 Cb -0.14 -3.58 -0.01 0.00 -1.56 0.00 0.00 34.95 29.66 1vhj s ARG 57 CO 0.06 -0.71 -0.02 0.42 -0.81 0.00 0.00 175.30 174.23 1vhj s ILE 58 N 2.57 0.13 0.23 4.11 1.01 -0.16 -4.76 121.20 124.33 1vhj s ILE 58 Ca 0.73 -0.44 0.10 0.00 0.00 0.00 0.00 60.65 61.03 1vhj s ILE 58 Cb -0.39 -0.19 -0.04 0.00 0.01 0.00 0.00 42.46 41.85 1vhj s ILE 58 CO 0.32 -0.19 -0.07 -0.44 0.00 0.00 0.00 174.94 174.55 1vhj s SER 59 N -0.66 4.28 -0.03 3.58 0.01 -0.86 -0.80 113.70 119.22 1vhj s SER 59 Ca -0.06 -0.67 -0.01 0.00 1.31 0.00 0.00 55.95 56.52 1vhj s SER 59 Cb -0.05 -0.72 0.03 0.00 0.21 0.00 0.00 66.02 65.50 1vhj s SER 59 CO -0.00 0.05 0.07 0.54 0.41 0.00 0.00 173.24 174.31 1vhj s VAL 60 N -2.06 -0.05 -0.18 3.43 0.11 0.34 -0.96 120.40 121.02 1vhj s VAL 60 Ca 0.28 0.19 -0.19 0.00 -2.93 0.00 0.00 61.98 59.34 1vhj s VAL 60 Cb -0.07 -0.13 0.05 0.00 -1.53 0.00 0.00 36.38 34.70 1vhj s VAL 60 CO 0.17 0.08 0.52 -0.32 -3.33 0.00 0.00 175.10 172.22 1vhj s MET 61 N 1.02 0.64 0.67 1.54 1.75 -0.58 0.33 119.30 124.66 1vhj s MET 61 Ca -0.08 0.66 -0.13 0.00 -1.25 0.00 0.00 55.69 54.88 1vhj s MET 61 Cb -0.12 0.31 0.00 0.00 2.84 0.00 0.00 34.83 37.87 1vhj s MET 61 CO -0.04 -0.09 1.08 0.20 -0.65 0.00 0.00 175.02 175.52 1vhj s GLY 62 N 0.12 1.92 0.00 2.11 0.00 -0.69 -3.76 107.32 107.02 1vhj s GLY 62 Ca -0.01 0.32 0.00 0.00 0.00 0.00 0.00 44.72 45.03 1vhj s GLY 62 CO 0.01 0.65 0.67 -2.39 0.00 0.00 0.00 173.10 172.04 1vhj n HIS 63 N -2.72 0.00 -4.31 1.90 1.44 -0.75 -4.85 115.22 105.93 1vhj n HIS 63 Ca 0.09 -0.22 0.00 0.00 -2.01 0.00 0.00 57.72 55.58 1vhj n HIS 63 Cb 0.53 -0.02 0.00 0.00 0.12 0.00 0.00 29.99 30.62 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 -0.22 -1.52 3.60 -1.39 0.00 -0.55 -3.28 105.19 101.83 1vhj n GLY 64 Ca 0.00 -1.26 -0.34 0.00 0.00 0.00 0.00 46.02 44.41 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 0.00 3.17 0.00 1.61 1.00 -1.26 -4.61 119.30 119.21 1vhj s MET 65 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 55.69 55.22 1vhj s MET 65 Cb 0.00 -2.79 0.00 0.00 0.00 0.00 0.00 34.83 32.04 1vhj s MET 65 CO 0.00 0.54 0.00 0.41 0.00 0.00 0.00 175.02 175.97 1vhj n GLY 66 N 2.63 -0.28 0.15 -0.03 0.00 -1.26 -4.37 105.19 102.03 1vhj n GLY 66 Ca -0.18 -1.70 -0.08 0.00 0.00 0.00 0.00 46.02 44.06 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 1.06 -0.47 -0.61 2.04 -1.85 -0.27 117.51 117.41 1vhj h ILE 67 Ca 0.00 -0.15 -0.02 0.00 1.00 0.00 0.00 64.86 65.69 1vhj h ILE 67 Cb 0.00 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 36.65 1vhj h ILE 67 CO 0.00 0.08 0.21 -0.65 0.00 0.00 0.00 178.15 177.79 1vhj h PRO 68 N 0.44 0.69 -0.00 2.37 0.11 -1.93 0.97 132.00 134.65 1vhj h PRO 68 Ca 0.13 -0.11 -0.00 0.00 0.11 0.00 0.00 66.00 66.13 1vhj h PRO 68 Cb -0.03 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 30.96 1vhj h PRO 68 CO -0.04 0.60 0.00 1.03 -0.21 0.00 0.00 178.00 179.37 1vhj h SER 69 N 0.61 0.01 -0.88 -2.05 0.87 -1.72 -2.74 113.55 107.65 1vhj h SER 69 Ca 0.16 -0.26 0.08 0.00 -1.23 0.00 0.00 61.79 60.54 1vhj h SER 69 Cb 0.15 -0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 62.04 1vhj h SER 69 CO -0.02 0.26 0.54 0.00 -0.53 0.00 0.00 176.83 177.09 1vhj h SER 71 N 0.94 1.01 0.21 0.00 0.02 -0.74 -1.80 113.55 113.19 1vhj h SER 71 Ca 0.41 -0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 61.20 1vhj h SER 71 Cb 0.28 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1vhj h SER 71 CO -0.21 0.88 -0.10 0.40 -1.14 0.00 0.00 176.83 176.66 1vhj h ILE 72 N 1.08 0.80 -0.00 3.27 2.04 -1.14 -1.02 117.51 122.54 1vhj h ILE 72 Ca 0.26 -0.06 -0.00 0.00 1.00 0.00 0.00 64.86 66.06 1vhj h ILE 72 Cb 0.16 0.84 -0.00 0.00 -0.74 0.00 0.00 36.82 37.08 1vhj h ILE 72 CO -0.03 0.01 0.00 1.88 0.00 0.00 0.00 178.15 180.02 1vhj h TYR 73 N -0.31 0.00 0.00 1.37 0.05 -1.37 -1.83 116.97 114.87 1vhj h TYR 73 Ca -0.03 -0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.67 1vhj h TYR 73 Cb 0.24 -0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.97 1vhj h TYR 73 CO -0.05 0.17 -0.38 -0.39 -1.05 0.00 0.00 178.16 176.45 1vhj h VAL 74 N -0.16 1.03 -0.07 -2.88 -1.51 -1.36 0.06 116.25 111.36 1vhj h VAL 74 Ca 0.00 -1.44 -0.01 0.00 -1.23 0.00 0.00 66.70 64.03 1vhj h VAL 74 Cb 0.17 1.83 -0.00 0.00 -2.13 0.00 0.00 31.29 31.16 1vhj h VAL 74 CO -0.00 0.38 0.00 0.74 -1.23 0.00 0.00 177.57 177.46 1vhj h THR 75 N 0.00 1.24 -0.57 7.19 2.02 -1.06 -1.30 112.91 120.43 1vhj h THR 75 Ca -0.00 -0.74 -0.03 0.00 0.77 0.00 0.00 66.41 66.41 1vhj h THR 75 Cb 0.80 1.61 -0.03 0.00 -1.74 0.00 0.00 68.15 68.79 1vhj h THR 75 CO 0.05 0.21 0.25 -0.33 0.37 0.00 0.00 175.52 176.06 1vhj h GLU 76 N -0.16 0.84 -0.70 6.66 5.08 -1.15 -0.08 114.58 125.07 1vhj h GLU 76 Ca 0.02 -0.14 0.07 0.00 -1.00 0.00 0.00 59.36 58.31 1vhj h GLU 76 Cb 0.32 -0.14 -0.06 0.00 0.50 0.00 0.00 28.75 29.37 1vhj h GLU 76 CO 0.00 0.71 0.38 -0.07 -1.00 0.00 0.00 179.01 179.03 1vhj h LEU 77 N 0.78 0.54 0.03 1.33 3.38 -0.92 0.32 115.31 120.76 1vhj h LEU 77 Ca 0.19 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 1vhj h LEU 77 Cb 0.16 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1vhj h LEU 77 CO -0.02 0.33 -0.01 0.40 0.09 0.00 0.00 178.44 179.23 1vhj h ILE 78 N 0.68 1.41 0.00 1.22 2.04 -0.94 -1.92 117.51 119.99 1vhj h ILE 78 Ca 0.33 -1.46 -0.13 0.00 1.00 0.00 0.00 64.86 64.60 1vhj h ILE 78 Cb 0.26 2.37 -0.02 0.00 -0.74 0.00 0.00 36.82 38.70 1vhj h ILE 78 CO -0.22 0.37 -0.65 0.07 0.00 0.00 0.00 178.15 177.72 1vhj h LYS 79 N -0.69 0.00 0.00 2.37 2.10 -0.93 -3.16 116.57 116.27 1vhj h LYS 79 Ca -0.00 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.60 1vhj h LYS 79 Cb 0.63 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.95 1vhj h LYS 79 CO 0.01 0.57 -1.61 -0.25 -2.00 0.00 0.00 179.45 176.16 1vhj n ASP 80 N -3.22 2.21 -0.44 7.07 8.00 0.09 -4.67 116.55 125.60 1vhj n ASP 80 Ca 0.01 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.55 1vhj n ASP 80 Cb 0.78 1.38 0.10 0.00 -0.02 0.00 0.00 41.12 43.36 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 -2.04 0.31 -1.21 1.24 4.02 -0.77 -4.68 117.16 114.03 1vhj n TYR 81 Ca -0.06 -0.49 -0.07 0.00 -0.01 0.00 0.00 57.90 57.27 1vhj n TYR 81 Cb 0.44 -0.03 -0.03 0.00 -0.02 0.00 0.00 39.34 39.70 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 0.20 0.84 3.73 2.72 0.00 -1.13 -4.65 105.19 106.90 1vhj n GLY 82 Ca 0.08 -0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.98 2.55 -0.18 1.61 1.01 -0.90 -4.81 120.40 117.71 1vhj s VAL 83 Ca 0.00 0.42 0.06 0.00 0.00 0.00 0.00 61.98 62.45 1vhj s VAL 83 Cb 0.00 -3.27 -0.15 0.00 0.00 0.00 0.00 36.38 32.97 1vhj s VAL 83 CO 0.00 0.04 -0.09 0.29 0.00 0.00 0.00 175.10 175.34 1vhj n LYS 84 N 3.37 0.86 -4.47 2.72 4.76 0.88 -4.55 118.16 121.72 1vhj n LYS 84 Ca 0.12 0.07 -0.23 0.00 -2.87 0.00 0.00 58.31 55.39 1vhj n LYS 84 Cb 0.39 -1.38 -0.16 0.00 -1.84 0.00 0.00 35.03 32.03 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 -2.37 1.40 -0.12 1.97 1.02 -0.50 -1.94 119.74 119.20 1vhj s LYS 85 Ca -0.19 -0.33 0.02 0.00 0.02 0.00 0.00 55.97 55.49 1vhj s LYS 85 Cb 0.06 -1.21 0.01 0.00 -0.52 0.00 0.00 37.83 36.17 1vhj s LYS 85 CO 0.50 0.01 -0.18 0.42 -0.92 0.00 0.00 175.35 175.18 1vhj s ILE 86 N 0.66 1.72 -0.31 2.17 -1.09 -0.49 -0.69 121.20 123.18 1vhj s ILE 86 Ca -0.13 -0.78 -0.01 0.00 -2.23 0.00 0.00 60.65 57.51 1vhj s ILE 86 Cb -0.15 -1.54 0.07 0.00 -1.58 0.00 0.00 42.46 39.25 1vhj s ILE 86 CO 0.02 0.48 0.02 -0.63 -1.23 0.00 0.00 174.94 173.61 1vhj s ILE 87 N 0.86 2.83 0.17 2.92 1.01 0.05 -1.01 121.20 128.04 1vhj s ILE 87 Ca -0.08 -1.62 -0.30 0.00 0.00 0.00 0.00 60.65 58.65 1vhj s ILE 87 Cb -0.15 -2.72 -0.07 0.00 0.01 0.00 0.00 42.46 39.52 1vhj s ILE 87 CO -0.01 -0.23 0.99 -0.60 0.00 0.00 0.00 174.94 175.09 1vhj s ARG 88 N 1.18 4.73 -0.06 2.79 3.52 0.18 -0.40 118.95 130.88 1vhj s ARG 88 Ca -0.02 1.54 0.04 0.00 -0.13 0.00 0.00 55.73 57.15 1vhj s ARG 88 Cb -0.20 -3.32 0.00 0.00 -1.56 0.00 0.00 34.95 29.87 1vhj s ARG 88 CO -0.03 0.28 -0.17 0.14 -0.81 0.00 0.00 175.30 174.71 1vhj s VAL 89 N -0.48 1.49 0.00 7.11 -7.23 -0.67 -0.86 120.40 119.77 1vhj s VAL 89 Ca 0.45 -0.72 0.00 0.00 -1.81 0.00 0.00 61.98 59.91 1vhj s VAL 89 Cb -0.26 -1.31 0.00 0.00 0.56 0.00 0.00 36.38 35.37 1vhj s VAL 89 CO 0.32 0.43 0.00 0.61 -0.31 0.00 0.00 175.10 176.15 1vhj n GLY 90 N 3.46 1.55 3.76 2.32 0.00 -0.85 -3.87 105.19 111.56 1vhj n GLY 90 Ca -0.20 -0.91 -0.34 0.00 0.00 0.00 0.00 46.02 44.58 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 -0.61 5.62 0.18 1.61 0.01 -1.26 -0.56 113.70 118.69 1vhj s SER 91 Ca 0.00 0.17 0.01 0.00 1.31 0.00 0.00 55.95 57.44 1vhj s SER 91 Cb 0.00 -1.62 -0.05 0.00 0.21 0.00 0.00 66.02 64.56 1vhj s SER 91 CO 0.00 0.31 0.03 0.00 0.41 0.00 0.00 173.24 173.99 1vhj s GLY 93 N -3.17 2.21 0.08 0.00 0.00 -0.24 -1.39 107.32 104.82 1vhj s GLY 93 Ca 0.27 -0.69 0.03 0.00 0.00 0.00 0.00 44.72 44.33 1vhj s GLY 93 CO 0.05 -0.59 0.07 0.00 0.00 0.00 0.00 173.10 172.63 1vhj s ALA 94 N -1.43 3.52 -0.07 3.20 0.00 0.27 0.65 121.76 127.90 1vhj s ALA 94 Ca 0.32 -1.04 0.02 0.00 0.00 0.00 0.00 51.96 51.26 1vhj s ALA 94 Cb -0.13 -1.39 -0.03 0.00 0.00 0.00 0.00 23.12 21.58 1vhj s ALA 94 CO 0.22 0.73 0.08 1.33 0.00 0.00 0.00 175.76 178.12 1vhj n VAL 95 N 0.45 0.00 -3.85 0.00 0.24 -1.26 -0.61 118.33 113.29 1vhj n VAL 95 Ca -0.09 -0.34 -0.34 0.00 -2.04 0.00 0.00 64.34 61.53 1vhj n VAL 95 Cb 0.52 0.85 -0.05 0.00 -1.47 0.00 0.00 33.84 33.69 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 -1.48 6.41 0.35 -1.34 3.84 -1.26 -4.68 114.94 116.79 1vhj s ASN 96 Ca 0.00 0.43 0.11 0.00 0.21 0.00 0.00 52.86 53.62 1vhj s ASN 96 Cb 0.02 -2.04 0.66 0.00 -0.55 0.00 0.00 41.25 39.34 1vhj s ASN 96 CO 0.09 0.27 1.80 1.05 -2.79 0.00 0.00 177.10 177.52 1vhj h GLU 97 N 3.99 0.06 0.00 0.43 -0.00 -1.96 -2.80 114.58 114.29 1vhj h GLU 97 Ca -0.50 -0.02 0.00 0.00 -0.00 0.00 0.00 59.36 58.84 1vhj h GLU 97 Cb 1.19 -0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.94 1vhj h GLU 97 CO 0.67 0.43 0.00 0.41 -0.00 0.00 0.00 179.01 180.52 1vhj n GLY 98 N -0.41 -0.85 3.32 1.06 0.00 -1.26 -4.70 105.19 102.35 1vhj n GLY 98 Ca -0.02 -0.11 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.37 2.85 0.33 -0.61 1.01 -1.06 -5.13 121.20 116.22 1vhj s ILE 99 Ca 0.24 -0.72 0.08 0.00 0.00 0.00 0.00 60.65 60.24 1vhj s ILE 99 Cb 0.14 -2.19 -0.03 0.00 0.01 0.00 0.00 42.46 40.38 1vhj s ILE 99 CO 0.29 0.52 0.24 -0.54 0.00 0.00 0.00 174.94 175.44 1vhj s LYS 100 N 0.55 2.64 0.45 2.79 -0.14 -1.26 -4.83 119.74 119.94 1vhj s LYS 100 Ca -0.09 -1.34 -0.25 0.00 -1.36 0.00 0.00 55.97 52.93 1vhj s LYS 100 Cb -0.16 -2.40 -0.08 0.00 -1.68 0.00 0.00 37.83 33.51 1vhj s LYS 100 CO 0.04 0.14 1.38 0.14 -0.76 0.00 0.00 175.35 176.28 1vhj s VAL 101 N -2.32 2.25 0.00 3.17 -7.23 -1.26 -1.81 120.40 113.20 1vhj s VAL 101 Ca 0.39 0.22 0.00 0.00 -1.81 0.00 0.00 61.98 60.77 1vhj s VAL 101 Cb -0.05 -3.12 0.00 0.00 0.56 0.00 0.00 36.38 33.77 1vhj s VAL 101 CO 0.25 0.03 0.00 0.54 -0.31 0.00 0.00 175.10 175.61 1vhj n ARG 102 N -0.24 0.00 -2.50 4.82 1.74 0.19 -4.96 116.66 115.70 1vhj n ARG 102 Ca 0.06 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.78 1vhj n ARG 102 Cb 0.43 -1.92 -0.03 0.00 -1.02 0.00 0.00 32.46 29.91 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 -3.07 6.55 -0.22 0.55 1.01 -0.75 -4.70 116.67 116.04 1vhj s ASP 103 Ca 0.00 2.04 -0.11 0.00 0.71 0.00 0.00 52.55 55.19 1vhj s ASP 103 Cb 0.00 -2.58 -0.05 0.00 1.01 0.00 0.00 42.92 41.30 1vhj s ASP 103 CO 0.00 -0.64 0.19 -0.69 0.21 0.00 0.00 175.17 174.24 1vhj s VAL 104 N -1.74 5.35 0.03 -1.27 1.01 -1.26 -0.80 120.40 121.73 1vhj s VAL 104 Ca 0.61 0.27 0.08 0.00 0.00 0.00 0.00 61.98 62.95 1vhj s VAL 104 Cb -0.21 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 1vhj s VAL 104 CO 0.26 0.36 -0.24 0.68 0.00 0.00 0.00 175.10 176.16 1vhj s VAL 105 N 0.85 1.95 -0.13 2.92 -7.23 0.46 -1.08 120.40 118.14 1vhj s VAL 105 Ca 0.10 -1.25 0.00 0.00 -1.81 0.00 0.00 61.98 59.02 1vhj s VAL 105 Cb -0.13 -1.66 -0.01 0.00 0.56 0.00 0.00 36.38 35.14 1vhj s VAL 105 CO 0.03 0.36 -0.14 -0.63 -0.31 0.00 0.00 175.10 174.41 1vhj s ILE 106 N -0.75 2.94 -0.92 -0.62 1.01 0.61 -1.09 121.20 122.38 1vhj s ILE 106 Ca 0.10 -0.70 -0.18 0.00 0.00 0.00 0.00 60.65 59.87 1vhj s ILE 106 Cb -0.09 -2.23 0.14 0.00 0.01 0.00 0.00 42.46 40.29 1vhj s ILE 106 CO 0.01 0.53 1.09 -0.83 0.00 0.00 0.00 174.94 175.74 1vhj s GLY 107 N 0.39 2.00 0.37 6.18 0.00 -0.52 -1.43 107.32 114.32 1vhj s GLY 107 Ca -0.11 -2.82 0.11 0.00 0.00 0.00 0.00 44.72 41.89 1vhj s GLY 107 CO 0.06 1.94 1.85 1.98 0.00 0.00 0.00 173.10 178.93 1vhj h MET 108 N 8.73 0.13 -4.76 2.90 4.05 -1.16 -3.39 114.93 121.42 1vhj h MET 108 Ca 0.15 -0.04 -0.29 0.00 -0.28 0.00 0.00 59.70 59.25 1vhj h MET 108 Cb 1.03 -0.01 -0.15 0.00 -0.80 0.00 0.00 31.60 31.67 1vhj h MET 108 CO 1.07 0.40 -0.65 0.20 0.23 0.00 0.00 176.91 178.16 1vhj s GLY 109 N -4.19 1.30 -0.11 1.39 0.00 -1.16 -1.35 107.32 103.20 1vhj s GLY 109 Ca -0.04 -1.63 -0.04 0.00 0.00 0.00 0.00 44.72 43.01 1vhj s GLY 109 CO 0.73 -1.52 0.10 0.00 0.00 0.00 0.00 173.10 172.41 1vhj s ALA 110 N -3.74 0.23 0.80 3.20 0.00 0.50 -1.21 121.76 121.54 1vhj s ALA 110 Ca 0.27 0.03 -0.12 0.00 0.00 0.00 0.00 51.96 52.14 1vhj s ALA 110 Cb 0.07 -0.86 0.07 0.00 0.00 0.00 0.00 23.12 22.40 1vhj s ALA 110 CO 0.06 -0.83 1.13 0.00 0.00 0.00 0.00 175.76 176.11 1vhj s THR 112 N -3.34 0.00 -1.09 0.00 -1.32 -1.26 0.13 115.64 108.76 1vhj s THR 112 Ca 0.61 0.00 0.15 0.00 -1.21 0.00 0.00 61.69 61.24 1vhj s THR 112 Cb -0.13 -1.00 0.46 0.00 -1.51 0.00 0.00 72.50 70.32 1vhj s THR 112 CO 0.52 0.00 1.39 -0.90 -2.21 0.00 0.00 174.62 173.42 1vhj n ASP 113 N -0.05 3.50 -4.91 8.08 5.68 -1.21 -4.97 116.55 122.68 1vhj n ASP 113 Ca -0.14 -2.18 -0.28 0.00 -0.50 0.00 0.00 54.79 51.70 1vhj n ASP 113 Cb 0.62 -0.37 0.02 0.00 -1.14 0.00 0.00 41.12 40.25 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 -1.10 5.86 0.00 -1.12 0.15 -1.26 -4.88 113.70 111.36 1vhj s SER 114 Ca 0.35 0.90 0.19 0.00 0.70 0.00 0.00 55.95 58.09 1vhj s SER 114 Cb 0.20 -1.98 -0.05 0.00 -1.71 0.00 0.00 66.02 62.48 1vhj s SER 114 CO 0.20 -0.92 0.94 1.17 1.20 0.00 0.00 173.24 175.84 1vhj n LYS 115 N -2.54 1.31 -0.32 5.44 4.81 -1.26 -4.62 118.16 120.98 1vhj n LYS 115 Ca 0.04 -0.73 0.05 0.00 -0.87 0.00 0.00 58.31 56.80 1vhj n LYS 115 Cb 0.56 -1.39 0.20 0.00 0.02 0.00 0.00 35.03 34.43 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 1.71 0.87 0.00 3.15 -1.51 -2.00 -0.32 116.25 118.16 1vhj h VAL 116 Ca 0.00 -0.28 -0.09 0.00 -1.23 0.00 0.00 66.70 65.10 1vhj h VAL 116 Cb 0.62 -0.02 -0.01 0.00 -2.13 0.00 0.00 31.29 29.74 1vhj h VAL 116 CO 0.00 0.15 -0.43 0.78 -1.23 0.00 0.00 177.57 176.84 1vhj h ASN 117 N 0.83 0.00 0.50 4.19 2.35 -1.94 -2.64 115.58 118.86 1vhj h ASN 117 Ca 0.45 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 56.05 1vhj h ASN 117 Cb 0.47 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.83 1vhj h ASN 117 CO -0.28 0.43 -0.65 0.03 -1.65 0.00 0.00 177.43 175.31 1vhj h ARG 118 N 0.00 0.14 -0.65 0.81 3.08 -1.42 0.78 114.38 117.11 1vhj h ARG 118 Ca -0.00 -0.10 -0.08 0.00 0.07 0.00 0.00 59.98 59.86 1vhj h ARG 118 Cb 1.14 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 31.18 1vhj h ARG 118 CO 0.06 0.74 0.10 0.82 -1.07 0.00 0.00 179.97 180.61 1vhj h ILE 119 N 0.10 1.26 -0.02 2.04 2.04 -0.98 0.18 117.51 122.12 1vhj h ILE 119 Ca -0.01 -1.03 -0.16 0.00 1.00 0.00 0.00 64.86 64.66 1vhj h ILE 119 Cb 1.16 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.88 1vhj h ILE 119 CO 0.09 0.39 -0.70 0.03 0.00 0.00 0.00 178.15 177.96 1vhj h ARG 120 N 1.01 0.12 -0.80 2.37 3.08 -1.10 -3.35 114.38 115.71 1vhj h ARG 120 Ca 0.20 -0.10 -0.57 0.00 0.07 0.00 0.00 59.98 59.57 1vhj h ARG 120 Cb 0.44 0.02 -0.39 0.00 0.08 0.00 0.00 29.97 30.12 1vhj h ARG 120 CO 0.01 0.77 -0.39 0.34 -1.07 0.00 0.00 179.97 179.64 1vhj n PHE 121 N -3.76 2.83 -3.98 3.04 7.35 0.23 -4.95 117.46 118.23 1vhj n PHE 121 Ca -0.02 -2.41 -0.29 0.00 -0.76 0.00 0.00 57.45 53.96 1vhj n PHE 121 Cb 0.69 -0.62 0.00 0.00 0.35 0.00 0.00 39.48 39.90 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 -0.77 -4.27 -1.37 -4.13 5.02 -1.14 -1.24 118.16 110.26 1vhj n LYS 122 Ca 0.48 0.49 -0.13 0.00 -2.02 0.00 0.00 58.31 57.14 1vhj n LYS 122 Cb 0.89 -5.11 -0.06 0.00 -0.02 0.00 0.00 35.03 30.74 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 -2.85 -5.56 -4.84 4.39 2.03 0.62 -4.99 116.55 105.34 1vhj n ASP 123 Ca -0.08 0.32 -0.22 0.00 0.52 0.00 0.00 54.79 55.33 1vhj n ASP 123 Cb 0.58 -4.28 0.08 0.00 -0.72 0.00 0.00 41.12 36.78 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 -2.09 1.75 -0.52 -0.67 3.76 -0.38 -5.01 115.29 112.14 1vhj s HIS 124 Ca 0.00 -0.39 -0.25 0.00 -0.15 0.00 0.00 55.06 54.26 1vhj s HIS 124 Cb 0.00 -2.68 0.03 0.00 1.11 0.00 0.00 32.58 31.04 1vhj s HIS 124 CO 0.00 -1.36 0.98 -0.51 -0.85 0.00 0.00 174.74 173.00 1vhj s ASP 125 N -4.65 6.42 -0.23 1.40 1.11 -1.26 -4.65 116.67 114.81 1vhj s ASP 125 Ca 0.63 -0.08 -0.19 0.00 0.18 0.00 0.00 52.55 53.09 1vhj s ASP 125 Cb -0.06 -2.46 -0.03 0.00 1.07 0.00 0.00 42.92 41.43 1vhj s ASP 125 CO 0.41 -1.21 0.54 0.12 1.18 0.00 0.00 175.17 176.21 1vhj s PHE 126 N 4.07 3.32 -0.66 4.23 2.19 -1.26 -5.02 117.98 124.85 1vhj s PHE 126 Ca 0.35 0.74 -0.27 0.00 0.33 0.00 0.00 56.93 58.08 1vhj s PHE 126 Cb -0.11 -2.71 0.03 0.00 -1.31 0.00 0.00 43.02 38.92 1vhj s PHE 126 CO 0.23 -0.20 1.23 0.00 1.83 0.00 0.00 175.22 178.31 1vhj s ALA 127 N 2.00 2.89 -0.50 11.12 0.00 -1.26 -4.96 121.76 131.04 1vhj s ALA 127 Ca 0.23 -1.10 -0.28 0.00 0.00 0.00 0.00 51.96 50.81 1vhj s ALA 127 Cb -0.16 -4.13 0.01 0.00 0.00 0.00 0.00 23.12 18.84 1vhj s ALA 127 CO 0.09 -2.95 1.42 0.00 0.00 0.00 0.00 175.76 174.32 1vhj s ALA 128 N 5.29 2.89 0.21 0.00 0.00 -1.26 -4.98 121.76 123.92 1vhj s ALA 128 Ca 0.39 -0.48 0.10 0.00 0.00 0.00 0.00 51.96 51.97 1vhj s ALA 128 Cb -0.08 -4.04 -0.05 0.00 0.00 0.00 0.00 23.12 18.95 1vhj s ALA 128 CO 0.20 -2.74 -0.19 0.96 0.00 0.00 0.00 175.76 174.00 1vhj s ILE 129 N 5.85 2.07 0.90 0.00 -4.36 -1.26 -0.37 121.20 124.03 1vhj s ILE 129 Ca 0.56 -2.14 -0.14 0.00 -0.26 0.00 0.00 60.65 58.66 1vhj s ILE 129 Cb -0.12 -2.07 0.15 0.00 1.25 0.00 0.00 42.46 41.68 1vhj s ILE 129 CO 0.28 -0.37 1.24 0.00 0.24 0.00 0.00 174.94 176.33 1vhj s ALA 130 N -2.33 2.29 -0.05 2.27 0.00 -0.46 -4.81 121.76 118.67 1vhj s ALA 130 Ca 0.22 -0.90 -0.27 0.00 0.00 0.00 0.00 51.96 51.01 1vhj s ALA 130 Cb -0.05 -2.88 -0.03 0.00 0.00 0.00 0.00 23.12 20.16 1vhj s ALA 130 CO 0.10 -2.16 0.88 0.34 0.00 0.00 0.00 175.76 174.91 1vhj s ASP 131 N -4.64 7.20 0.19 0.00 -1.08 -0.62 -4.95 116.67 112.77 1vhj s ASP 131 Ca 0.68 1.45 -0.11 0.00 -0.52 0.00 0.00 52.55 54.05 1vhj s ASP 131 Cb -0.08 -2.51 0.21 0.00 -1.46 0.00 0.00 42.92 39.08 1vhj s ASP 131 CO 0.51 -0.24 1.76 0.22 0.52 0.00 0.00 175.17 177.94 1vhj h TYR 132 N 6.86 0.40 -0.86 -5.34 5.03 -1.96 -2.28 116.97 118.82 1vhj h TYR 132 Ca -0.39 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 60.94 1vhj h TYR 132 Cb 1.20 -0.10 -0.04 0.00 1.55 0.00 0.00 36.73 39.34 1vhj h TYR 132 CO 0.68 0.14 0.50 0.87 -1.32 0.00 0.00 178.16 179.02 1vhj h LYS 133 N 0.42 1.18 -0.64 1.82 1.57 -1.99 -0.37 116.57 118.56 1vhj h LYS 133 Ca 0.27 -0.12 -0.05 0.00 -1.87 0.00 0.00 60.65 58.88 1vhj h LYS 133 Cb 0.28 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 1vhj h LYS 133 CO -0.25 0.84 0.19 0.52 -0.57 0.00 0.00 179.45 180.18 1vhj h MET 134 N 1.19 1.00 0.01 3.15 2.86 -1.88 0.19 114.93 121.45 1vhj h MET 134 Ca 0.31 -0.22 -0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1vhj h MET 134 Cb -0.02 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.50 1vhj h MET 134 CO -0.05 0.89 -0.00 0.28 1.06 0.00 0.00 176.91 179.08 1vhj h VAL 135 N 0.93 1.00 -0.32 -2.22 2.07 -0.77 -0.60 116.25 116.34 1vhj h VAL 135 Ca 0.21 -0.02 0.04 0.00 0.82 0.00 0.00 66.70 67.75 1vhj h VAL 135 Cb 0.31 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 31.05 1vhj h VAL 135 CO -0.00 0.01 0.07 0.50 0.02 0.00 0.00 177.57 178.17 1vhj h LYS 136 N -0.02 0.19 -0.36 1.57 3.64 -0.96 0.23 116.57 120.86 1vhj h LYS 136 Ca -0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1vhj h LYS 136 Cb 0.02 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 1vhj h LYS 136 CO 0.00 0.12 0.24 0.00 -2.27 0.00 0.00 179.45 177.54 1vhj h ALA 137 N 1.23 0.46 -0.48 5.00 0.00 -0.39 0.63 119.26 125.71 1vhj h ALA 137 Ca 0.15 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1vhj h ALA 137 Cb 0.15 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1vhj h ALA 137 CO -0.18 -0.09 0.23 0.00 0.00 0.00 0.00 179.25 179.22 1vhj h ALA 138 N 1.14 0.62 -0.67 0.00 0.00 -0.69 0.50 119.26 120.15 1vhj h ALA 138 Ca 0.13 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1vhj h ALA 138 Cb -0.05 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1vhj h ALA 138 CO -0.03 0.18 0.31 1.49 0.00 0.00 0.00 179.25 181.20 1vhj h GLU 139 N 0.63 0.95 -0.23 0.00 4.22 -0.07 -1.79 114.58 118.30 1vhj h GLU 139 Ca 0.17 -0.13 -0.17 0.00 0.08 0.00 0.00 59.36 59.30 1vhj h GLU 139 Cb 0.11 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 1vhj h GLU 139 CO -0.02 0.75 -0.54 0.93 -2.18 0.00 0.00 179.01 177.94 1vhj h GLU 140 N 0.95 0.69 -0.68 1.92 4.39 -0.45 -2.04 114.58 119.35 1vhj h GLU 140 Ca 0.23 -0.43 -0.01 0.00 0.34 0.00 0.00 59.36 59.49 1vhj h GLU 140 Cb 0.11 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.78 1vhj h GLU 140 CO -0.03 1.05 0.39 0.00 -1.16 0.00 0.00 179.01 179.26 1vhj h ALA 141 N 0.87 0.87 -0.31 3.43 0.00 -0.62 -1.16 119.26 122.33 1vhj h ALA 141 Ca 0.01 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1vhj h ALA 141 Cb 1.11 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1vhj h ALA 141 CO 0.11 0.37 0.00 0.00 0.00 0.00 0.00 179.25 179.73 1vhj h ALA 142 N 1.20 0.42 -0.90 0.00 0.00 -1.30 -2.82 119.26 115.86 1vhj h ALA 142 Ca 0.24 -0.23 0.06 0.00 0.00 0.00 0.00 54.91 54.98 1vhj h ALA 142 Cb 0.01 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.62 1vhj h ALA 142 CO -0.04 0.17 0.57 -0.22 0.00 0.00 0.00 179.25 179.72 1vhj h LYS 143 N 0.35 1.00 0.00 0.00 1.63 -0.97 0.33 116.57 118.91 1vhj h LYS 143 Ca 0.09 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 1vhj h LYS 143 Cb 0.43 -0.23 0.00 0.00 -0.60 0.00 0.00 32.23 31.84 1vhj h LYS 143 CO 0.02 0.66 0.00 0.00 -3.45 0.00 0.00 179.45 176.68 1vhj h ALA 144 N 1.42 1.00 -0.65 5.00 0.00 -1.12 -1.80 119.26 123.11 1vhj h ALA 144 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1vhj h ALA 144 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1vhj h ALA 144 CO -0.17 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.62 1vhj n ARG 145 N -2.97 2.69 -1.51 0.00 1.74 -0.04 -4.95 116.66 111.63 1vhj n ARG 145 Ca -0.01 -2.55 -0.13 0.00 -0.77 0.00 0.00 57.85 54.40 1vhj n ARG 145 Cb 0.21 -1.54 -0.05 0.00 -1.02 0.00 0.00 32.46 30.07 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 1.54 1.11 3.62 -0.13 0.00 -0.68 -4.99 105.19 105.66 1vhj n GLY 146 Ca 0.23 -0.43 -0.35 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.49 4.87 -0.09 -0.61 1.01 -0.36 -5.01 121.20 118.53 1vhj s ILE 147 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 60.65 60.44 1vhj s ILE 147 Cb 0.00 -3.22 -0.04 0.00 0.01 0.00 0.00 42.46 39.21 1vhj s ILE 147 CO 0.00 0.43 0.61 -0.62 0.00 0.00 0.00 174.94 175.36 1vhj s ASP 148 N 0.62 6.87 0.08 3.58 2.15 -1.26 -3.85 116.67 124.85 1vhj s ASP 148 Ca 0.04 1.04 0.08 0.00 0.43 0.00 0.00 52.55 54.15 1vhj s ASP 148 Cb -0.13 -2.36 -0.04 0.00 -0.30 0.00 0.00 42.92 40.09 1vhj s ASP 148 CO 0.01 -0.07 -0.19 0.68 -0.17 0.00 0.00 175.17 175.43 1vhj s VAL 149 N 0.74 2.74 -0.21 1.11 -7.23 -1.26 -4.34 120.40 111.96 1vhj s VAL 149 Ca 0.33 -1.37 -0.08 0.00 -1.81 0.00 0.00 61.98 59.05 1vhj s VAL 149 Cb -0.17 -2.20 -0.04 0.00 0.56 0.00 0.00 36.38 34.53 1vhj s VAL 149 CO 0.15 0.22 0.09 -0.54 -0.31 0.00 0.00 175.10 174.71 1vhj s LYS 150 N -1.76 3.96 -0.24 4.82 -0.14 -0.24 -4.96 119.74 121.18 1vhj s LYS 150 Ca 0.16 -0.34 -0.06 0.00 -1.36 0.00 0.00 55.97 54.37 1vhj s LYS 150 Cb -0.10 -3.32 -0.02 0.00 -1.68 0.00 0.00 37.83 32.71 1vhj s LYS 150 CO 0.07 0.16 0.03 0.08 -0.76 0.00 0.00 175.35 174.93 1vhj s VAL 151 N 0.71 3.91 0.00 3.17 1.01 -1.26 -0.29 120.40 127.66 1vhj s VAL 151 Ca 0.05 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.68 1vhj s VAL 151 Cb -0.13 -2.83 0.00 0.00 0.00 0.00 0.00 36.38 33.42 1vhj s VAL 151 CO 0.02 0.35 0.00 0.61 0.00 0.00 0.00 175.10 176.07 1vhj n GLY 152 N 4.87 1.89 3.67 4.51 0.00 -0.51 -4.91 105.19 114.70 1vhj n GLY 152 Ca -0.17 -0.14 -0.39 0.00 0.00 0.00 0.00 46.02 45.32 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 6.51 0.53 1.61 0.01 -1.26 -0.58 114.94 123.76 1vhj s ASN 153 Ca 0.00 0.61 -0.02 0.00 -0.71 0.00 0.00 52.86 52.74 1vhj s ASN 153 Cb 0.00 -2.26 0.01 0.00 0.41 0.00 0.00 41.25 39.41 1vhj s ASN 153 CO 0.00 -0.12 0.78 -0.76 -1.51 0.00 0.00 177.10 175.49 1vhj s LEU 154 N 1.43 3.38 -0.14 0.60 1.43 -0.35 -0.16 118.68 124.87 1vhj s LEU 154 Ca 0.22 0.33 0.01 0.00 -1.03 0.00 0.00 54.13 53.65 1vhj s LEU 154 Cb -0.15 -3.17 0.02 0.00 0.03 0.00 0.00 46.19 42.92 1vhj s LEU 154 CO 0.09 -0.97 -0.15 0.12 0.23 0.00 0.00 176.35 175.67 1vhj s PHE 155 N -2.77 2.17 -0.48 0.29 2.19 -0.14 0.01 117.98 119.25 1vhj s PHE 155 Ca 0.53 -1.20 -0.16 0.00 0.33 0.00 0.00 56.93 56.43 1vhj s PHE 155 Cb -0.10 -1.59 0.07 0.00 -1.31 0.00 0.00 43.02 40.09 1vhj s PHE 155 CO 0.40 -0.65 0.45 -1.12 1.83 0.00 0.00 175.22 176.13 1vhj s SER 156 N 1.41 6.17 0.23 6.13 0.01 0.12 -0.71 113.70 127.04 1vhj s SER 156 Ca 0.03 -1.26 -0.26 0.00 1.31 0.00 0.00 55.95 55.78 1vhj s SER 156 Cb -0.13 -2.21 -0.09 0.00 0.21 0.00 0.00 66.02 63.80 1vhj s SER 156 CO -0.10 -0.71 0.85 0.00 0.41 0.00 0.00 173.24 173.70 1vhj s ALA 157 N 1.86 3.36 -0.00 1.44 0.00 0.33 -3.29 121.76 125.46 1vhj s ALA 157 Ca 0.06 0.44 0.03 0.00 0.00 0.00 0.00 51.96 52.49 1vhj s ALA 157 Cb -0.23 -3.06 -0.25 0.00 0.00 0.00 0.00 23.12 19.58 1vhj s ALA 157 CO 0.08 0.25 0.83 0.93 0.00 0.00 0.00 175.76 177.85 1vhj h GLU 158 N 3.91 0.14 -4.68 0.00 4.39 -1.89 -3.41 114.58 113.04 1vhj h GLU 158 Ca -0.46 -0.24 -0.69 0.00 0.34 0.00 0.00 59.36 58.31 1vhj h GLU 158 Cb 1.20 0.09 -0.33 0.00 -0.10 0.00 0.00 28.75 29.61 1vhj h GLU 158 CO 0.66 0.93 -0.65 -0.51 -1.16 0.00 0.00 179.01 178.29 1vhj s LEU 159 N -6.70 4.31 0.15 1.33 1.43 -1.26 -4.97 118.68 112.98 1vhj s LEU 159 Ca -0.07 -1.44 -0.16 0.00 -1.03 0.00 0.00 54.13 51.43 1vhj s LEU 159 Cb 0.08 -1.77 0.02 0.00 0.03 0.00 0.00 46.19 44.55 1vhj s LEU 159 CO 0.83 -0.34 1.80 0.15 0.23 0.00 0.00 176.35 179.02 1vhj h PHE 160 N 8.05 0.54 -2.51 0.29 3.04 -1.99 -3.14 116.94 121.22 1vhj h PHE 160 Ca -0.19 0.01 -0.76 0.00 3.98 0.00 0.00 57.97 61.01 1vhj h PHE 160 Cb 1.06 -0.18 -0.21 0.00 2.56 0.00 0.00 35.95 39.18 1vhj h PHE 160 CO 0.59 0.36 1.15 0.66 -2.02 0.00 0.00 178.31 179.06 1vhj n TYR 161 N -4.77 4.88 -2.00 0.41 4.02 -1.26 -5.01 117.16 113.43 1vhj n TYR 161 Ca 0.01 -3.46 -0.41 0.00 -0.01 0.00 0.00 57.90 54.03 1vhj n TYR 161 Cb 0.04 -2.03 -0.02 0.00 -0.02 0.00 0.00 39.34 37.31 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 0.62 2.62 -1.08 -0.72 -1.32 -1.19 -4.91 115.64 109.66 1vhj s THR 162 Ca 0.39 0.52 0.26 0.00 -1.21 0.00 0.00 61.69 61.66 1vhj s THR 162 Cb -0.04 -3.33 0.26 0.00 -1.51 0.00 0.00 72.50 67.88 1vhj s THR 162 CO -0.02 0.08 1.84 -0.81 -2.21 0.00 0.00 174.62 173.51 1vhj n PRO 163 N 2.32 0.07 -3.64 7.08 -0.04 -1.26 -4.30 135.00 135.24 1vhj n PRO 163 Ca 0.07 0.05 -0.28 0.00 -0.04 0.00 0.00 63.50 63.30 1vhj n PRO 163 Cb 0.40 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.24 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 -2.92 3.14 0.22 3.54 3.68 -1.26 -4.96 116.67 118.12 1vhj s ASP 164 Ca 0.15 -3.15 0.23 0.00 2.13 0.00 0.00 52.55 51.91 1vhj s ASP 164 Cb 0.17 -0.97 0.93 0.00 -1.45 0.00 0.00 42.92 41.61 1vhj s ASP 164 CO 0.46 -0.18 1.69 -0.81 0.13 0.00 0.00 175.17 176.46 1vhj n PRO 165 N 2.82 0.17 0.05 4.34 -0.04 -1.26 -2.43 135.00 138.65 1vhj n PRO 165 Ca 0.20 0.39 0.09 0.00 -0.04 0.00 0.00 63.50 64.14 1vhj n PRO 165 Cb 0.40 -1.82 0.39 0.00 -0.04 0.00 0.00 33.50 32.42 1vhj n PRO 165 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1vhj n SER 166 N -2.15 0.25 0.24 3.54 3.41 -1.26 -1.86 113.62 115.78 1vhj n SER 166 Ca 0.02 0.56 0.10 0.00 -0.26 0.00 0.00 58.87 59.29 1vhj n SER 166 Cb 0.23 -0.61 0.59 0.00 -0.26 0.00 0.00 64.21 64.16 1vhj n SER 166 CO 0.00 0.00 0.00 -0.03 -0.16 0.00 0.00 175.04 174.85 1vhj h MET 167 N 0.00 0.00 -0.17 4.33 -1.53 -1.92 -2.94 114.93 112.70 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 0.31 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.35 1vhj h MET 167 CO 0.00 0.19 -0.22 0.74 0.14 0.00 0.00 176.91 177.76 1vhj h PHE 168 N 0.00 0.32 -0.27 1.39 0.05 -1.61 -1.51 116.94 115.30 1vhj h PHE 168 Ca -0.00 -0.05 -0.15 0.00 3.82 0.00 0.00 57.97 61.58 1vhj h PHE 168 Cb 0.51 -0.08 -0.01 0.00 2.00 0.00 0.00 35.95 38.37 1vhj h PHE 168 CO 0.00 0.50 -0.45 -0.44 -0.18 0.00 0.00 178.31 177.74 1vhj h ASP 169 N 0.27 0.77 -0.41 2.17 5.19 -1.71 -1.54 116.42 121.15 1vhj h ASP 169 Ca 0.04 -0.37 -0.03 0.00 -0.62 0.00 0.00 57.03 56.05 1vhj h ASP 169 Cb 0.55 -0.22 -0.02 0.00 0.18 0.00 0.00 39.33 39.82 1vhj h ASP 169 CO 0.04 1.10 0.12 0.58 -3.12 0.00 0.00 179.24 177.96 1vhj h VAL 170 N 0.57 1.22 -0.54 -1.35 2.07 -1.48 -1.45 116.25 115.29 1vhj h VAL 170 Ca 0.04 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.82 1vhj h VAL 170 Cb 1.00 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 31.67 1vhj h VAL 170 CO 0.09 0.26 0.36 0.24 0.02 0.00 0.00 177.57 178.54 1vhj h MET 171 N 0.52 0.72 -0.07 1.57 2.86 -1.09 -1.30 114.93 118.14 1vhj h MET 171 Ca 0.13 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1vhj h MET 171 Cb 0.27 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 31.77 1vhj h MET 171 CO -0.00 0.48 0.05 0.22 1.06 0.00 0.00 176.91 178.71 1vhj h ASP 172 N 0.74 0.09 -0.63 1.22 -0.00 -1.24 -0.88 116.42 115.71 1vhj h ASP 172 Ca 0.20 -0.03 0.08 0.00 -0.00 0.00 0.00 57.03 57.28 1vhj h ASP 172 Cb -0.08 -0.02 -0.04 0.00 -0.00 0.00 0.00 39.33 39.19 1vhj h ASP 172 CO -0.04 0.09 0.42 0.50 -0.00 0.00 0.00 179.24 180.21 1vhj h LYS 173 N 0.07 0.51 -0.53 0.28 3.64 -0.91 -0.38 116.57 119.25 1vhj h LYS 173 Ca 0.03 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1vhj h LYS 173 Cb 0.02 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 1vhj h LYS 173 CO -0.01 0.34 0.00 0.66 -2.27 0.00 0.00 179.45 178.17 1vhj n TYR 174 N -4.48 0.77 -0.54 1.91 4.01 -0.52 -4.94 117.16 113.37 1vhj n TYR 174 Ca 0.10 -0.36 0.00 0.00 -0.16 0.00 0.00 57.90 57.48 1vhj n TYR 174 Cb 0.31 -0.05 0.00 0.00 -0.31 0.00 0.00 39.34 39.29 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 1.19 0.75 3.63 2.72 0.00 -0.15 -5.01 105.19 108.31 1vhj n GLY 175 Ca 0.17 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.28 0.10 0.10 -0.61 -0.00 -0.40 -4.57 119.36 111.69 1vhj n ILE 176 Ca 0.00 -0.02 0.06 0.00 -0.00 0.00 0.00 62.75 62.79 1vhj n ILE 176 Cb 0.00 -1.05 -0.00 0.00 -0.00 0.00 0.00 39.64 38.59 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 3.88 0.33 -1.69 1.39 -1.51 -0.90 -3.41 116.25 114.35 1vhj h VAL 177 Ca -0.47 -1.58 0.06 0.00 -1.23 0.00 0.00 66.70 63.48 1vhj h VAL 177 Cb 1.32 1.92 -0.22 0.00 -2.13 0.00 0.00 31.29 32.18 1vhj h VAL 177 CO 0.84 0.19 0.48 -0.83 -1.23 0.00 0.00 177.57 177.02 1vhj s GLY 178 N -4.52 -0.34 -0.17 5.19 0.00 -1.25 -4.67 107.32 101.56 1vhj s GLY 178 Ca 0.00 1.83 -0.02 0.00 0.00 0.00 0.00 44.72 46.53 1vhj s GLY 178 CO 0.77 0.97 -0.08 0.54 0.00 0.00 0.00 173.10 175.30 1vhj s VAL 179 N -1.26 3.29 0.00 1.40 0.11 0.21 -0.97 120.40 123.18 1vhj s VAL 179 Ca -0.03 -0.55 0.00 0.00 -2.93 0.00 0.00 61.98 58.47 1vhj s VAL 179 Cb -0.00 -2.44 0.00 0.00 -1.53 0.00 0.00 36.38 32.40 1vhj s VAL 179 CO 0.02 0.48 0.00 -1.84 -3.33 0.00 0.00 175.10 170.43 1vhj n GLU 180 N 4.10 0.00 0.00 1.54 -0.00 0.11 -1.07 120.64 125.31 1vhj n GLU 180 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.98 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 0.03 0.00 3.44 2.81 -1.26 -0.51 117.12 121.63 1vhj n MET 181 Ca 0.00 -0.22 0.00 0.00 -1.81 0.00 0.00 57.70 55.67 1vhj n MET 181 Cb 0.00 -0.68 0.00 0.00 -0.71 0.00 0.00 33.22 31.83 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 -0.07 2.31 -0.28 0.03 0.00 -1.26 -3.08 120.64 118.30 1vhj n GLU 182 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 57.16 57.13 1vhj n GLU 182 Cb 0.11 -0.23 0.11 0.00 0.00 0.00 0.00 31.44 31.43 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 1.05 -0.16 -1.84 0.00 -1.93 -1.24 119.26 115.13 1vhj h ALA 183 Ca 0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1vhj h ALA 183 Cb 0.03 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1vhj h ALA 183 CO 0.00 0.24 -0.13 0.00 0.00 0.00 0.00 179.25 179.36 1vhj h ALA 184 N 1.36 1.48 -0.26 0.00 0.00 -1.82 -1.48 119.26 118.53 1vhj h ALA 184 Ca 0.33 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.88 1vhj h ALA 184 Cb 0.10 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1vhj h ALA 184 CO -0.15 0.37 -0.41 0.78 0.00 0.00 0.00 179.25 179.84 1vhj h GLY 185 N 0.76 0.81 0.91 0.00 0.00 -1.60 -1.41 103.07 102.55 1vhj h GLY 185 Ca 0.05 -0.92 -0.03 0.00 0.00 0.00 0.00 47.33 46.43 1vhj h GLY 185 CO 0.02 0.82 0.08 -2.22 0.00 0.00 0.00 176.54 175.24 1vhj h ILE 186 N 0.49 1.22 -0.35 2.60 2.04 -1.06 -0.75 117.51 121.71 1vhj h ILE 186 Ca 0.02 -0.76 -0.04 0.00 1.00 0.00 0.00 64.86 65.08 1vhj h ILE 186 Cb 1.01 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 38.14 1vhj h ILE 186 CO 0.09 0.26 0.03 1.88 0.00 0.00 0.00 178.15 180.42 1vhj h TYR 187 N 0.39 0.53 -0.22 1.37 0.99 -1.28 0.44 116.97 119.20 1vhj h TYR 187 Ca 0.11 -0.04 -0.17 0.00 2.00 0.00 0.00 58.73 60.63 1vhj h TYR 187 Cb 0.31 -0.16 -0.00 0.00 1.00 0.00 0.00 36.73 37.88 1vhj h TYR 187 CO 0.02 0.50 -0.54 0.78 -0.00 0.00 0.00 178.16 178.92 1vhj h GLY 188 N 0.80 0.70 1.06 3.88 0.00 -0.88 -1.87 103.07 106.75 1vhj h GLY 188 Ca 0.11 -0.81 -0.15 0.00 0.00 0.00 0.00 47.33 46.48 1vhj h GLY 188 CO 0.00 0.72 -0.42 -2.08 0.00 0.00 0.00 176.54 174.77 1vhj h VAL 189 N 0.49 1.29 -0.69 4.60 2.07 -0.80 -1.94 116.25 121.27 1vhj h VAL 189 Ca 0.01 -1.61 0.00 0.00 0.82 0.00 0.00 66.70 65.93 1vhj h VAL 189 Cb 1.10 1.61 -0.03 0.00 -1.52 0.00 0.00 31.29 32.45 1vhj h VAL 189 CO 0.11 0.52 0.44 0.00 0.02 0.00 0.00 177.57 178.66 1vhj h ALA 190 N 0.69 0.87 -0.62 1.67 0.00 -0.76 -0.42 119.26 120.69 1vhj h ALA 190 Ca 0.03 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1vhj h ALA 190 Cb 1.02 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1vhj h ALA 190 CO 0.10 0.31 0.01 0.00 0.00 0.00 0.00 179.25 179.68 1vhj h ALA 191 N 1.24 0.84 -0.47 0.00 0.00 -1.34 0.19 119.26 119.74 1vhj h ALA 191 Ca 0.25 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 1vhj h ALA 191 Cb -0.08 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1vhj h ALA 191 CO -0.05 0.67 -0.06 1.49 0.00 0.00 0.00 179.25 181.30 1vhj h GLU 192 N 0.99 0.86 -0.65 0.00 4.81 -0.94 -3.13 114.58 116.53 1vhj h GLU 192 Ca 0.18 -0.31 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 1vhj h GLU 192 Cb 0.55 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.87 1vhj h GLU 192 CO 0.03 0.94 0.00 0.66 -0.73 0.00 0.00 179.01 179.91 1vhj n TYR 193 N -4.30 1.22 -3.44 0.92 4.01 -0.20 -4.96 117.16 110.41 1vhj n TYR 193 Ca 0.00 -0.57 -0.20 0.00 -0.16 0.00 0.00 57.90 56.97 1vhj n TYR 193 Cb 0.35 -0.14 0.07 0.00 -0.31 0.00 0.00 39.34 39.31 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 1.23 -0.34 2.81 2.72 0.00 -0.35 -5.02 105.19 106.23 1vhj n GLY 194 Ca 0.24 0.12 -0.20 0.00 0.00 0.00 0.00 46.02 46.19 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 -4.62 0.58 -2.78 4.61 0.00 0.53 -5.02 120.51 113.82 1vhj n ALA 195 Ca -0.01 -1.65 -0.31 0.00 0.00 0.00 0.00 53.44 51.48 1vhj n ALA 195 Cb 0.56 0.72 -0.16 0.00 0.00 0.00 0.00 19.45 20.56 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 -3.63 2.46 0.04 0.00 1.02 -0.82 -4.47 119.74 114.34 1vhj s LYS 196 Ca 0.20 -0.86 -0.03 0.00 0.02 0.00 0.00 55.97 55.29 1vhj s LYS 196 Cb -0.02 -2.08 -0.02 0.00 -0.52 0.00 0.00 37.83 35.19 1vhj s LYS 196 CO 0.12 0.36 0.03 0.00 -0.92 0.00 0.00 175.35 174.94 1vhj s ALA 197 N -0.12 0.14 -0.08 5.17 0.00 -1.26 -1.39 121.76 124.22 1vhj s ALA 197 Ca -0.04 -0.74 -0.11 0.00 0.00 0.00 0.00 51.96 51.07 1vhj s ALA 197 Cb -0.14 0.23 0.03 0.00 0.00 0.00 0.00 23.12 23.24 1vhj s ALA 197 CO 0.04 -0.29 0.29 -1.17 0.00 0.00 0.00 175.76 174.63 1vhj s LEU 198 N -2.16 0.91 -0.19 0.00 2.96 -0.18 -1.59 118.68 118.43 1vhj s LEU 198 Ca -0.05 0.42 -0.00 0.00 -0.22 0.00 0.00 54.13 54.28 1vhj s LEU 198 Cb -0.01 1.06 0.01 0.00 0.50 0.00 0.00 46.19 47.75 1vhj s LEU 198 CO -0.05 -0.21 -0.15 0.00 -1.32 0.00 0.00 176.35 174.62 1vhj s ALA 199 N -0.31 2.48 -0.03 5.97 0.00 -1.26 0.51 121.76 129.11 1vhj s ALA 199 Ca -0.04 -1.21 0.04 0.00 0.00 0.00 0.00 51.96 50.75 1vhj s ALA 199 Cb -0.03 -1.34 -0.03 0.00 0.00 0.00 0.00 23.12 21.72 1vhj s ALA 199 CO 0.01 -0.38 -0.14 0.42 0.00 0.00 0.00 175.76 175.67 1vhj s ILE 200 N 1.35 3.06 0.07 0.00 1.01 -0.04 -1.43 121.20 125.22 1vhj s ILE 200 Ca 0.05 -0.79 -0.02 0.00 0.00 0.00 0.00 60.65 59.89 1vhj s ILE 200 Cb -0.13 -2.22 -0.03 0.00 0.01 0.00 0.00 42.46 40.09 1vhj s ILE 200 CO -0.10 0.54 0.03 0.00 0.00 0.00 0.00 174.94 175.41 1vhj s THR 202 N -3.94 1.96 -0.41 0.00 -1.32 0.27 -0.40 115.64 111.79 1vhj s THR 202 Ca 0.10 -0.95 -0.28 0.00 -1.21 0.00 0.00 61.69 59.36 1vhj s THR 202 Cb 0.07 -1.71 -0.02 0.00 -1.51 0.00 0.00 72.50 69.34 1vhj s THR 202 CO -0.08 0.54 1.79 -0.69 -2.21 0.00 0.00 174.62 173.97 1vhj s VAL 203 N 0.49 3.48 -0.30 5.08 1.01 0.02 -0.50 120.40 129.68 1vhj s VAL 203 Ca -0.16 0.45 0.22 0.00 0.00 0.00 0.00 61.98 62.49 1vhj s VAL 203 Cb -0.17 -3.76 -0.19 0.00 0.00 0.00 0.00 36.38 32.25 1vhj s VAL 203 CO 0.06 -0.57 0.79 -1.54 0.00 0.00 0.00 175.10 173.84 1vhj n SER 204 N 10.87 0.44 -3.76 3.32 3.41 -0.49 0.55 113.62 127.96 1vhj n SER 204 Ca 0.22 -0.05 -0.13 0.00 -0.26 0.00 0.00 58.87 58.65 1vhj n SER 204 Cb 0.48 1.24 -0.09 0.00 -0.26 0.00 0.00 64.21 65.58 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 -4.45 -0.22 -0.43 4.04 1.01 -1.22 -4.91 116.67 110.49 1vhj s ASP 205 Ca -0.02 0.18 -0.08 0.00 0.71 0.00 0.00 52.55 53.34 1vhj s ASP 205 Cb 0.13 0.37 0.09 0.00 1.01 0.00 0.00 42.92 44.52 1vhj s ASP 205 CO 0.85 -0.40 0.27 -2.28 0.21 0.00 0.00 175.17 173.82 1vhj s HIS 206 N -1.10 3.38 0.44 4.23 5.65 -0.81 -0.56 115.29 126.52 1vhj s HIS 206 Ca -0.11 -1.71 0.11 0.00 0.25 0.00 0.00 55.06 53.60 1vhj s HIS 206 Cb -0.05 -3.09 0.97 0.00 -1.18 0.00 0.00 32.58 29.23 1vhj s HIS 206 CO 0.04 -0.89 2.03 0.82 -0.65 0.00 0.00 174.74 176.08 1vhj h ILE 207 N 6.13 1.10 0.00 0.89 2.04 -1.18 0.22 117.51 126.71 1vhj h ILE 207 Ca -0.21 -0.39 -0.00 0.00 1.00 0.00 0.00 64.86 65.25 1vhj h ILE 207 Cb 1.08 1.00 -0.00 0.00 -0.74 0.00 0.00 36.82 38.15 1vhj h ILE 207 CO 0.77 0.13 -0.17 0.11 0.00 0.00 0.00 178.15 178.99 1vhj h LYS 208 N 0.21 0.00 0.00 2.37 1.57 -1.83 -3.38 116.57 115.51 1vhj h LYS 208 Ca 0.05 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.75 1vhj h LYS 208 Cb 0.16 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1vhj h LYS 208 CO 0.00 0.02 -0.40 1.79 -0.57 0.00 0.00 179.45 180.29 1vhj h THR 209 N -1.00 0.86 0.00 -0.16 1.35 -1.90 -3.47 112.91 108.60 1vhj h THR 209 Ca -0.00 -1.67 0.00 0.00 -0.55 0.00 0.00 66.41 64.18 1vhj h THR 209 Cb 0.19 2.04 0.00 0.00 -1.73 0.00 0.00 68.15 68.64 1vhj h THR 209 CO -0.00 0.39 0.00 0.61 -0.25 0.00 0.00 175.52 176.27 1vhj n GLY 210 N 0.46 0.76 3.07 5.82 0.00 0.77 -5.06 105.19 111.00 1vhj n GLY 210 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1vhj n GLY 210 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1vhj n GLU 211 N -2.00 -0.02 -0.09 1.61 4.07 -1.23 -4.68 120.64 118.30 1vhj n GLU 211 Ca 0.00 -0.00 -0.19 0.00 -0.06 0.00 0.00 57.16 56.91 1vhj n GLU 211 Cb 0.00 -1.09 -0.07 0.00 -0.06 0.00 0.00 31.44 30.22 1vhj n GLU 211 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 1vhj n SER 215 N 2.92 1.62 0.11 4.31 7.64 -1.26 -1.93 113.62 127.02 1vhj n SER 215 Ca -0.00 0.16 -0.14 0.00 1.01 0.00 0.00 58.87 59.90 1vhj n SER 215 Cb 0.55 -0.50 -0.09 0.00 -1.01 0.00 0.00 64.21 63.17 1vhj n SER 215 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 1vhj h GLU 216 N -0.53 -0.64 -0.59 1.43 -0.00 -2.05 0.79 114.58 112.99 1vhj h GLU 216 Ca -0.46 0.04 0.03 0.00 -0.00 0.00 0.00 59.36 58.98 1vhj h GLU 216 Cb 1.46 0.15 -0.03 0.00 -0.00 0.00 0.00 28.75 30.32 1vhj h GLU 216 CO -0.24 -0.43 0.39 0.93 -0.00 0.00 0.00 179.01 179.66 1vhj h GLU 217 N -0.66 0.67 -0.29 1.06 5.08 -2.05 0.32 114.58 118.70 1vhj h GLU 217 Ca -0.01 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.19 1vhj h GLU 217 Cb 0.66 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 1vhj h GLU 217 CO -0.23 0.44 -0.30 0.00 -1.00 0.00 0.00 179.01 177.92 1vhj h ARG 218 N 0.69 0.71 -0.17 2.33 3.08 -1.82 -0.34 114.38 118.87 1vhj h ARG 218 Ca 0.24 -0.38 0.01 0.00 0.07 0.00 0.00 59.98 59.92 1vhj h ARG 218 Cb 0.09 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 1vhj h ARG 218 CO -0.06 1.00 0.08 0.37 -1.07 0.00 0.00 179.97 180.28 1vhj h GLN 219 N 0.46 0.17 -0.28 0.04 5.75 0.14 0.33 115.11 121.72 1vhj h GLN 219 Ca 0.05 -0.01 0.05 0.00 -0.15 0.00 0.00 58.65 58.59 1vhj h GLN 219 Cb 0.87 -0.04 -0.05 0.00 1.07 0.00 0.00 27.48 29.33 1vhj h GLN 219 CO 0.07 0.11 -0.02 -0.91 -2.65 0.00 0.00 178.83 175.43 1vhj h ASN 220 N 0.17 -0.16 0.18 -0.69 -0.26 -0.84 0.19 115.58 114.16 1vhj h ASN 220 Ca 0.07 0.07 -0.08 0.00 -0.56 0.00 0.00 56.30 55.80 1vhj h ASN 220 Cb 0.02 0.13 -0.01 0.00 -1.06 0.00 0.00 38.32 37.40 1vhj h ASN 220 CO -0.05 -0.05 -0.30 0.00 -1.06 0.00 0.00 177.43 175.97 1vhj h THR 221 N 0.05 1.25 -0.60 2.81 1.03 -0.68 -2.14 112.91 114.63 1vhj h THR 221 Ca 0.14 -1.20 -0.05 0.00 -0.01 0.00 0.00 66.41 65.29 1vhj h THR 221 Cb 0.19 1.51 -0.03 0.00 -1.07 0.00 0.00 68.15 68.75 1vhj h THR 221 CO -0.25 0.36 0.19 0.15 -0.01 0.00 0.00 175.52 175.96 1vhj h PHE 222 N 0.17 0.97 -0.49 0.00 3.57 0.67 -1.68 116.94 120.15 1vhj h PHE 222 Ca 0.02 -0.10 -0.04 0.00 3.53 0.00 0.00 57.97 61.39 1vhj h PHE 222 Cb 0.62 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.06 1vhj h PHE 222 CO 0.01 0.80 0.13 -0.91 -2.23 0.00 0.00 178.31 176.11 1vhj h ASN 223 N 0.86 0.68 -0.40 0.41 2.35 -0.57 -1.75 115.58 117.16 1vhj h ASN 223 Ca 0.20 -0.11 -0.02 0.00 -0.55 0.00 0.00 56.30 55.81 1vhj h ASN 223 Cb 0.29 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.46 1vhj h ASN 223 CO -0.01 0.67 0.16 -0.33 -1.65 0.00 0.00 177.43 176.27 1vhj h GLU 224 N 0.72 0.60 -0.68 0.81 3.07 -0.87 -1.46 114.58 116.77 1vhj h GLU 224 Ca 0.16 -0.11 -0.03 0.00 -0.50 0.00 0.00 59.36 58.88 1vhj h GLU 224 Cb 0.25 -0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 28.03 1vhj h GLU 224 CO -0.01 0.56 0.30 1.98 -1.40 0.00 0.00 179.01 180.45 1vhj h MET 225 N 0.50 0.98 -0.37 2.33 1.85 -0.94 -1.88 114.93 117.40 1vhj h MET 225 Ca 0.13 -0.15 -0.10 0.00 -0.61 0.00 0.00 59.70 58.98 1vhj h MET 225 Cb 0.19 -0.18 -0.01 0.00 0.43 0.00 0.00 31.60 32.04 1vhj h MET 225 CO -0.01 0.78 -0.16 0.82 -0.40 0.00 0.00 176.91 177.94 1vhj h ILE 226 N 0.97 1.28 -0.71 1.77 1.08 -0.95 -2.34 117.51 118.61 1vhj h ILE 226 Ca 0.23 -1.27 -0.02 0.00 -0.39 0.00 0.00 64.86 63.41 1vhj h ILE 226 Cb 0.14 1.32 -0.03 0.00 -3.07 0.00 0.00 36.82 35.18 1vhj h ILE 226 CO -0.03 0.42 0.37 -0.33 -0.69 0.00 0.00 178.15 177.89 1vhj h GLU 227 N 0.56 1.01 -0.09 2.37 5.08 -1.08 -1.28 114.58 121.15 1vhj h GLU 227 Ca 0.09 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1vhj h GLU 227 Cb 0.69 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 1vhj h GLU 227 CO 0.05 0.77 0.06 0.82 -1.00 0.00 0.00 179.01 179.71 1vhj h ILE 228 N 0.99 1.04 -0.23 3.13 2.04 -1.28 0.30 117.51 123.50 1vhj h ILE 228 Ca 0.25 -0.09 0.03 0.00 1.00 0.00 0.00 64.86 66.05 1vhj h ILE 228 Cb 0.08 0.93 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 1vhj h ILE 228 CO -0.04 0.04 0.02 0.00 0.00 0.00 0.00 178.15 178.17 1vhj h ALA 229 N 1.01 0.22 -0.67 1.87 0.00 -1.06 0.30 119.26 120.94 1vhj h ALA 229 Ca 0.03 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1vhj h ALA 229 Cb 0.01 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1vhj h ALA 229 CO -0.01 -0.40 0.24 -0.07 0.00 0.00 0.00 179.25 179.01 1vhj h LEU 230 N 0.10 0.95 -1.21 0.00 3.38 -1.06 -2.07 115.31 115.40 1vhj h LEU 230 Ca 0.10 -0.19 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 1vhj h LEU 230 Cb 0.12 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1vhj h LEU 230 CO -0.16 0.88 -0.39 0.44 0.09 0.00 0.00 178.44 179.30 1vhj h ASP 231 N 0.96 0.00 0.34 -0.43 3.32 -0.49 -2.13 116.42 117.99 1vhj h ASP 231 Ca 0.22 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.19 1vhj h ASP 231 Cb 0.25 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 1vhj h ASP 231 CO -0.01 0.39 -0.37 0.77 -1.72 0.00 0.00 179.24 178.29 1vhj h SER 232 N 0.00 0.05 -0.48 6.45 4.64 0.27 -1.79 113.55 122.69 1vhj h SER 232 Ca -0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1vhj h SER 232 Cb 0.71 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.77 1vhj h SER 232 CO 0.05 0.42 0.30 0.58 -0.87 0.00 0.00 176.83 177.31 1vhj h VAL 233 N 0.04 1.14 -0.40 0.95 2.07 -0.92 0.32 116.25 119.44 1vhj h VAL 233 Ca 0.00 -0.28 -0.12 0.00 0.82 0.00 0.00 66.70 67.12 1vhj h VAL 233 Cb 0.68 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 1vhj h VAL 233 CO 0.05 0.14 -0.20 -0.07 0.02 0.00 0.00 177.57 177.50 1vhj h LEU 234 N 0.64 0.88 -0.80 2.57 3.38 -1.43 -1.11 115.31 119.43 1vhj h LEU 234 Ca 0.17 -0.41 -0.06 0.00 0.09 0.00 0.00 57.88 57.67 1vhj h LEU 234 Cb -0.04 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 1vhj h LEU 234 CO -0.03 1.09 0.19 0.40 0.09 0.00 0.00 178.44 180.18 1vhj h ILE 235 N 0.66 1.26 -0.05 1.22 2.04 -1.20 -2.66 117.51 118.77 1vhj h ILE 235 Ca 0.09 -0.92 -0.04 0.00 1.00 0.00 0.00 64.86 64.99 1vhj h ILE 235 Cb 0.76 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 1vhj h ILE 235 CO 0.06 0.36 -0.14 1.23 0.00 0.00 0.00 178.15 179.66 1vhj h GLY 236 N 1.09 0.08 2.00 5.37 0.00 0.05 -2.65 103.07 109.00 1vhj h GLY 236 Ca 0.22 -0.04 -0.07 0.00 0.00 0.00 0.00 47.33 47.44 1vhj h GLY 236 CO -0.00 0.04 -0.35 -0.55 0.00 0.00 0.00 176.54 175.68 1vhj h ASP 237 N 0.07 0.00 0.00 0.19 3.32 -0.84 -3.51 116.42 115.64 1vhj h ASP 237 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1vhj h ASP 237 Cb 0.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1vhj h ASP 237 CO 0.02 0.35 0.00 0.00 -1.72 0.00 0.00 179.24 177.89