#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vgx n VAL 7 N 0.00 1.09 0.22 2.41 0.31 -1.26 -3.61 118.33 117.48 1vgx n VAL 7 Ca 0.00 -0.68 0.11 0.00 -0.01 0.00 0.00 64.34 63.76 1vgx n VAL 7 Cb 0.00 -0.65 0.24 0.00 -0.91 0.00 0.00 33.84 32.53 1vgx n VAL 7 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1vgx h GLU 8 N 0.00 0.00 -1.29 5.55 5.08 -1.91 0.71 114.58 122.71 1vgx h GLU 8 Ca -0.17 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.07 1vgx h GLU 8 Cb 1.55 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 30.57 1vgx h GLU 8 CO 0.04 0.10 -0.49 0.45 -1.00 0.00 0.00 179.01 178.10 1vgx s SER 9 N -6.17 -0.74 0.34 1.42 0.15 -1.26 -3.65 113.70 103.80 1vgx s SER 9 Ca 0.05 -0.64 -0.28 0.00 0.70 0.00 0.00 55.95 55.78 1vgx s SER 9 Cb 0.06 1.58 -0.12 0.00 -1.71 0.00 0.00 66.02 65.83 1vgx s SER 9 CO 0.66 -0.25 1.38 0.49 1.20 0.00 0.00 173.24 176.72 1vgx n PHE 10 N 4.78 2.52 -2.24 3.44 0.99 -0.08 -3.27 117.46 123.60 1vgx n PHE 10 Ca 0.08 0.49 -0.43 0.00 -0.00 0.00 0.00 57.45 57.60 1vgx n PHE 10 Cb 0.53 -2.47 0.00 0.00 -1.00 0.00 0.00 39.48 36.54 1vgx n PHE 10 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 1vgx n ASP 11 N 0.86 4.56 -4.75 4.37 2.03 -1.26 -4.96 116.55 117.41 1vgx n ASP 11 Ca 0.04 -2.92 -0.41 0.00 0.52 0.00 0.00 54.79 52.02 1vgx n ASP 11 Cb 0.37 -1.65 -0.03 0.00 -0.72 0.00 0.00 41.12 39.09 1vgx n ASP 11 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1vgx s LEU 12 N 2.42 4.42 -0.61 -2.67 2.96 -1.26 -1.61 118.68 122.33 1vgx s LEU 12 Ca 0.48 2.55 -0.22 0.00 -0.22 0.00 0.00 54.13 56.71 1vgx s LEU 12 Cb 0.08 -3.63 0.06 0.00 0.50 0.00 0.00 46.19 43.21 1vgx s LEU 12 CO -0.01 -0.55 0.90 -0.62 -1.32 0.00 0.00 176.35 174.74 1vgx s ASP 13 N 0.03 6.22 0.44 3.68 -1.08 0.50 -4.66 116.67 121.80 1vgx s ASP 13 Ca 0.54 -0.87 0.30 0.00 -0.52 0.00 0.00 52.55 52.01 1vgx s ASP 13 Cb -0.39 -2.40 1.55 0.00 -1.46 0.00 0.00 42.92 40.23 1vgx s ASP 13 CO 0.44 -1.30 1.92 0.45 0.52 0.00 0.00 175.17 177.20 1vgx h HIS 14 N 9.41 0.00 0.00 -5.34 3.86 -1.93 -2.03 115.15 119.12 1vgx h HIS 14 Ca -0.28 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.93 1vgx h HIS 14 Cb 1.08 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.55 1vgx h HIS 14 CO 0.92 0.00 0.00 0.25 0.86 0.00 0.00 177.93 179.96 1vgx n THR 15 N -2.59 0.20 0.83 2.45 -2.24 -1.26 -3.82 114.28 107.84 1vgx n THR 15 Ca -0.01 0.05 0.09 0.00 -2.27 0.00 0.00 64.05 61.91 1vgx n THR 15 Cb 0.10 -0.60 0.03 0.00 -2.10 0.00 0.00 70.33 67.76 1vgx n THR 15 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1vgx n LYS 16 N -1.48 1.59 -2.34 -0.78 5.02 -0.76 -4.99 118.16 114.42 1vgx n LYS 16 Ca 0.07 -1.16 -0.26 0.00 -2.02 0.00 0.00 58.31 54.93 1vgx n LYS 16 Cb 0.30 -1.37 0.04 0.00 -0.02 0.00 0.00 35.03 33.98 1vgx n LYS 16 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1vgx s VAL 17 N -1.97 3.24 -0.40 -0.18 -7.23 -1.25 -5.02 120.40 107.59 1vgx s VAL 17 Ca 0.18 -0.08 0.01 0.00 -1.81 0.00 0.00 61.98 60.28 1vgx s VAL 17 Cb 0.16 -3.31 0.13 0.00 0.56 0.00 0.00 36.38 33.91 1vgx s VAL 17 CO 0.40 -0.33 0.20 -0.54 -0.31 0.00 0.00 175.10 174.52 1vgx s LYS 18 N -5.06 1.03 0.69 4.82 -0.14 -1.26 -4.97 119.74 114.85 1vgx s LYS 18 Ca 0.56 -1.68 -0.14 0.00 -1.36 0.00 0.00 55.97 53.34 1vgx s LYS 18 Cb -0.11 -2.09 0.01 0.00 -1.68 0.00 0.00 37.83 33.97 1vgx s LYS 18 CO 0.45 -1.13 1.11 0.00 -0.76 0.00 0.00 175.35 175.02 1vgx s ALA 19 N 0.76 2.40 0.41 5.17 0.00 -1.26 -4.45 121.76 124.79 1vgx s ALA 19 Ca 0.16 0.50 -0.06 0.00 0.00 0.00 0.00 51.96 52.56 1vgx s ALA 19 Cb -0.23 -3.32 -0.05 0.00 0.00 0.00 0.00 23.12 19.53 1vgx s ALA 19 CO -0.05 -1.42 0.72 -1.25 0.00 0.00 0.00 175.76 173.76 1vgx s PRO 20 N -4.26 3.63 0.29 0.00 0.04 -1.26 -4.83 135.00 128.60 1vgx s PRO 20 Ca 0.66 0.20 -0.20 0.00 0.04 0.00 0.00 61.00 61.70 1vgx s PRO 20 Cb -0.20 -2.46 0.04 0.00 0.04 0.00 0.00 34.50 31.92 1vgx s PRO 20 CO 0.45 -0.04 0.81 1.52 0.04 0.00 0.00 177.00 179.77 1vgx s TYR 21 N -2.47 -0.06 -0.07 0.56 -0.85 -0.64 -3.68 117.35 110.14 1vgx s TYR 21 Ca 0.47 -0.44 0.05 0.00 -0.52 0.00 0.00 57.07 56.63 1vgx s TYR 21 Cb -0.10 0.74 -0.01 0.00 0.38 0.00 0.00 41.96 42.97 1vgx s TYR 21 CO 0.37 -1.26 -0.24 0.08 -1.52 0.00 0.00 175.55 172.99 1vgx s VAL 22 N -3.17 2.15 -0.10 -3.49 1.01 -0.48 -1.37 120.40 114.95 1vgx s VAL 22 Ca 0.13 -1.02 -0.05 0.00 0.00 0.00 0.00 61.98 61.04 1vgx s VAL 22 Cb -0.05 -1.80 0.04 0.00 0.00 0.00 0.00 36.38 34.58 1vgx s VAL 22 CO 0.08 0.57 0.24 -0.60 0.00 0.00 0.00 175.10 175.38 1vgx s ARG 23 N -0.05 0.20 -0.01 2.72 3.52 -0.76 -1.06 118.95 123.50 1vgx s ARG 23 Ca -0.07 0.51 -0.30 0.00 -0.13 0.00 0.00 55.73 55.75 1vgx s ARG 23 Cb -0.15 -0.11 -0.06 0.00 -1.56 0.00 0.00 34.95 33.07 1vgx s ARG 23 CO 0.05 -0.16 1.52 -1.17 -0.81 0.00 0.00 175.30 174.73 1vgx s LEU 24 N 1.21 4.32 0.00 -0.88 2.96 -1.26 -0.37 118.68 124.65 1vgx s LEU 24 Ca -0.09 2.20 0.20 0.00 -0.22 0.00 0.00 54.13 56.22 1vgx s LEU 24 Cb -0.10 -3.55 -0.07 0.00 0.50 0.00 0.00 46.19 42.97 1vgx s LEU 24 CO -0.08 -0.82 0.95 0.00 -1.32 0.00 0.00 176.35 175.08 1vgx n ALA 25 N 6.07 3.79 0.00 5.97 0.00 0.98 -4.87 120.51 132.44 1vgx n ALA 25 Ca 0.15 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 53.00 1vgx n ALA 25 Cb 0.43 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 19.16 1vgx n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vgx n GLY 26 N 1.38 2.88 2.79 0.00 0.00 -1.22 -0.90 105.19 110.11 1vgx n GLY 26 Ca 0.07 -0.88 -0.15 0.00 0.00 0.00 0.00 46.02 45.06 1vgx n GLY 26 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vgx s VAL 27 N -2.00 -0.05 -0.06 1.61 1.01 0.24 -0.97 120.40 120.18 1vgx s VAL 27 Ca 0.00 0.18 0.05 0.00 0.00 0.00 0.00 61.98 62.22 1vgx s VAL 27 Cb 0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 36.38 36.30 1vgx s VAL 27 CO 0.00 0.08 -0.22 -0.75 0.00 0.00 0.00 175.10 174.20 1vgx s LYS 28 N 0.91 2.35 0.16 2.72 2.20 -0.44 -3.58 119.74 124.07 1vgx s LYS 28 Ca -0.08 -0.81 -0.00 0.00 -0.36 0.00 0.00 55.97 54.72 1vgx s LYS 28 Cb -0.11 -1.98 -0.04 0.00 -1.51 0.00 0.00 37.83 34.19 1vgx s LYS 28 CO -0.03 0.32 0.34 -0.08 -0.36 0.00 0.00 175.35 175.54 1vgx s THR 29 N -0.04 5.25 0.44 3.43 -1.32 -1.26 -0.18 115.64 121.96 1vgx s THR 29 Ca -0.05 -0.38 0.00 0.00 -1.21 0.00 0.00 61.69 60.05 1vgx s THR 29 Cb -0.14 -3.71 -0.01 0.00 -1.51 0.00 0.00 72.50 67.14 1vgx s THR 29 CO 0.04 -0.08 0.66 0.42 -2.21 0.00 0.00 174.62 173.44 1vgx s THR 30 N -1.76 4.14 0.22 5.08 -4.23 0.07 -4.92 115.64 114.24 1vgx s THR 30 Ca 0.37 -0.49 -0.08 0.00 -1.18 0.00 0.00 61.69 60.31 1vgx s THR 30 Cb -0.11 -3.53 0.17 0.00 1.34 0.00 0.00 72.50 70.37 1vgx s THR 30 CO 0.28 -0.37 1.84 -0.65 -0.54 0.00 0.00 174.62 175.19 1vgx h PRO 31 N 0.44 0.85 0.00 3.99 0.11 -1.99 -1.46 132.00 133.93 1vgx h PRO 31 Ca -0.46 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1vgx h PRO 31 Cb 1.25 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1vgx h PRO 31 CO 0.58 0.56 0.00 0.87 -0.21 0.00 0.00 178.00 179.80 1vgx h LYS 32 N 0.87 0.00 0.00 1.05 1.57 -2.05 -3.46 116.57 114.54 1vgx h LYS 32 Ca 0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 1vgx h LYS 32 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1vgx h LYS 32 CO -0.14 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.15 1vgx n GLY 33 N 0.78 0.82 3.86 3.86 0.00 -0.55 -5.13 105.19 108.83 1vgx n GLY 33 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 1vgx n GLY 33 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1vgx s ASP 34 N -1.38 6.65 -0.10 1.61 1.01 -1.26 -4.83 116.67 118.38 1vgx s ASP 34 Ca 0.00 1.23 -0.04 0.00 0.71 0.00 0.00 52.55 54.45 1vgx s ASP 34 Cb 0.00 -2.36 -0.04 0.00 1.01 0.00 0.00 42.92 41.54 1vgx s ASP 34 CO 0.00 -0.31 0.05 -1.10 0.21 0.00 0.00 175.17 174.01 1vgx s GLN 35 N -3.44 3.18 -0.55 8.23 -0.21 -1.26 -0.75 119.66 124.87 1vgx s GLN 35 Ca 0.53 -0.32 -0.10 0.00 0.02 0.00 0.00 55.36 55.49 1vgx s GLN 35 Cb -0.10 -2.94 0.14 0.00 1.00 0.00 0.00 33.01 31.10 1vgx s GLN 35 CO 0.24 0.70 0.44 0.42 -2.12 0.00 0.00 175.29 174.97 1vgx s ILE 36 N -0.86 4.52 -0.04 1.08 -1.09 0.75 -0.77 121.20 124.80 1vgx s ILE 36 Ca 0.13 -1.95 -0.29 0.00 -2.23 0.00 0.00 60.65 56.32 1vgx s ILE 36 Cb -0.12 -3.93 -0.03 0.00 -1.58 0.00 0.00 42.46 36.81 1vgx s ILE 36 CO 0.03 -0.84 0.93 -0.44 -1.23 0.00 0.00 174.94 173.39 1vgx s SER 37 N 2.57 7.26 -0.13 3.58 0.01 0.30 -1.32 113.70 125.98 1vgx s SER 37 Ca 0.08 1.54 -0.06 0.00 1.31 0.00 0.00 55.95 58.82 1vgx s SER 37 Cb -0.24 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.41 1vgx s SER 37 CO -0.01 -0.27 0.08 -0.54 0.41 0.00 0.00 173.24 172.90 1vgx s LYS 38 N 1.19 3.45 -0.02 12.44 1.02 -0.15 -0.64 119.74 137.02 1vgx s LYS 38 Ca 0.48 -0.26 0.05 0.00 0.02 0.00 0.00 55.97 56.26 1vgx s LYS 38 Cb -0.20 -3.08 -0.01 0.00 -0.52 0.00 0.00 37.83 34.02 1vgx s LYS 38 CO 0.24 0.63 -0.18 0.71 -0.92 0.00 0.00 175.35 175.83 1vgx s TYR 39 N -0.63 1.64 -0.55 3.18 2.02 0.68 -0.01 117.35 123.69 1vgx s TYR 39 Ca 0.12 -0.36 -0.17 0.00 -0.37 0.00 0.00 57.07 56.28 1vgx s TYR 39 Cb -0.12 -1.07 0.11 0.00 -0.40 0.00 0.00 41.96 40.47 1vgx s TYR 39 CO 0.02 -0.07 0.58 0.34 -1.57 0.00 0.00 175.55 174.85 1vgx s ASP 40 N -0.28 6.19 -0.94 2.29 2.15 0.50 -1.90 116.67 124.68 1vgx s ASP 40 Ca 0.04 -1.51 -0.16 0.00 0.43 0.00 0.00 52.55 51.35 1vgx s ASP 40 Cb -0.08 -2.25 0.18 0.00 -0.30 0.00 0.00 42.92 40.47 1vgx s ASP 40 CO 0.00 -0.94 1.03 -0.76 -0.17 0.00 0.00 175.17 174.33 1vgx s LEU 41 N 2.14 5.80 -0.35 -1.34 1.43 -0.39 -1.84 118.68 124.14 1vgx s LEU 41 Ca 0.08 -2.52 -0.22 0.00 -1.03 0.00 0.00 54.13 50.43 1vgx s LEU 41 Cb -0.26 -2.31 0.00 0.00 0.03 0.00 0.00 46.19 43.65 1vgx s LEU 41 CO 0.06 -0.78 0.73 -0.60 0.23 0.00 0.00 176.35 175.98 1vgx s ARG 42 N 1.28 3.78 -0.17 1.70 6.06 -0.47 -0.87 118.95 130.27 1vgx s ARG 42 Ca 0.28 0.28 -0.24 0.00 -2.50 0.00 0.00 55.73 53.56 1vgx s ARG 42 Cb -0.07 -3.79 -0.21 0.00 0.06 0.00 0.00 34.95 30.95 1vgx s ARG 42 CO -0.08 -0.76 0.46 0.74 -2.50 0.00 0.00 175.30 173.16 1vgx h PHE 43 N 8.38 0.00 -2.77 5.12 0.05 -1.41 -1.70 116.94 124.62 1vgx h PHE 43 Ca -0.25 0.00 -0.60 0.00 3.82 0.00 0.00 57.97 60.94 1vgx h PHE 43 Cb 1.10 0.00 -0.11 0.00 2.00 0.00 0.00 35.95 38.94 1vgx h PHE 43 CO 0.77 1.11 -0.66 -0.51 -0.18 0.00 0.00 178.31 178.84 1vgx s LEU 44 N -8.09 3.24 0.15 1.54 1.43 -0.11 -4.33 118.68 112.50 1vgx s LEU 44 Ca -0.22 -0.47 -0.31 0.00 -1.03 0.00 0.00 54.13 52.10 1vgx s LEU 44 Cb 0.01 -1.87 -0.09 0.00 0.03 0.00 0.00 46.19 44.27 1vgx s LEU 44 CO 0.59 0.07 1.42 -1.58 0.23 0.00 0.00 176.35 177.08 1vgx s GLN 45 N -3.07 4.31 0.16 1.70 2.00 -1.26 -4.81 119.66 118.68 1vgx s GLN 45 Ca 0.28 2.14 -0.34 0.00 -2.00 0.00 0.00 55.36 55.44 1vgx s GLN 45 Cb -0.09 -3.21 -0.15 0.00 0.80 0.00 0.00 33.01 30.36 1vgx s GLN 45 CO 0.18 -0.44 1.36 -2.30 -0.50 0.00 0.00 175.29 173.59 1vgx n PRO 46 N 3.63 1.58 -1.47 1.67 -0.02 -1.26 -1.71 135.00 137.43 1vgx n PRO 46 Ca 0.11 0.57 -0.16 0.00 -2.02 0.00 0.00 63.50 62.00 1vgx n PRO 46 Cb 0.41 -2.20 -0.07 0.00 -0.02 0.00 0.00 33.50 31.63 1vgx n PRO 46 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1vgx n ASN 47 N 2.50 -4.88 -0.36 2.55 3.02 -1.26 -4.86 115.26 111.97 1vgx n ASN 47 Ca 0.16 0.38 0.07 0.00 -0.03 0.00 0.00 54.58 55.16 1vgx n ASN 47 Cb 0.26 -3.76 0.15 0.00 -0.61 0.00 0.00 39.78 35.82 1vgx n ASN 47 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1vgx n GLN 48 N -2.55 2.25 0.00 3.52 1.13 -0.69 -5.07 117.38 115.97 1vgx n GLN 48 Ca -0.16 -2.40 0.00 0.00 -1.94 0.00 0.00 57.00 52.50 1vgx n GLN 48 Cb 0.52 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 29.38 1vgx n GLN 48 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1vgx n GLY 49 N -0.78 2.76 3.21 1.08 0.00 -1.26 -4.96 105.19 105.24 1vgx n GLY 49 Ca 0.14 -1.68 -0.13 0.00 0.00 0.00 0.00 46.02 44.35 1vgx n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vgx s ALA 50 N -1.88 -0.66 0.23 4.61 0.00 -1.26 -4.79 121.76 118.00 1vgx s ALA 50 Ca 0.00 0.18 -0.30 0.00 0.00 0.00 0.00 51.96 51.84 1vgx s ALA 50 Cb 0.00 0.11 -0.09 0.00 0.00 0.00 0.00 23.12 23.14 1vgx s ALA 50 CO 0.00 -0.26 1.14 0.42 0.00 0.00 0.00 175.76 177.06 1vgx s ILE 51 N -1.48 3.57 0.59 0.00 1.01 0.90 -5.00 121.20 120.79 1vgx s ILE 51 Ca -0.13 1.44 -0.19 0.00 0.00 0.00 0.00 60.65 61.76 1vgx s ILE 51 Cb -0.05 -3.92 -0.04 0.00 0.01 0.00 0.00 42.46 38.46 1vgx s ILE 51 CO 0.03 0.28 1.15 -0.67 0.00 0.00 0.00 174.94 175.73 1vgx n ASP 52 N 1.88 1.61 -0.29 3.58 2.03 -1.26 -4.73 116.55 119.37 1vgx n ASP 52 Ca 0.02 0.87 0.02 0.00 0.52 0.00 0.00 54.79 56.21 1vgx n ASP 52 Cb 0.45 -1.48 0.22 0.00 -0.72 0.00 0.00 41.12 39.59 1vgx n ASP 52 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1vgx h PRO 53 N 0.80 1.05 -0.29 -0.67 0.11 -1.97 -0.81 132.00 130.21 1vgx h PRO 53 Ca -0.49 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 65.53 1vgx h PRO 53 Cb 1.34 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1vgx h PRO 53 CO 0.53 0.70 0.09 0.00 -0.21 0.00 0.00 178.00 179.11 1vgx h ALA 54 N 1.49 0.38 -0.36 -0.75 0.00 -1.90 -1.70 119.26 116.41 1vgx h ALA 54 Ca 0.35 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 1vgx h ALA 54 Cb 0.03 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1vgx h ALA 54 CO -0.10 0.01 -0.06 0.00 0.00 0.00 0.00 179.25 179.10 1vgx h ALA 55 N 0.92 1.22 -0.00 0.00 0.00 -1.63 -1.35 119.26 118.42 1vgx h ALA 55 Ca 0.09 -0.26 -0.16 0.00 0.00 0.00 0.00 54.91 54.59 1vgx h ALA 55 Cb 0.24 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1vgx h ALA 55 CO -0.00 0.51 -0.76 0.97 0.00 0.00 0.00 179.25 179.97 1vgx h ILE 56 N 0.56 1.54 -0.54 0.00 2.10 -1.00 0.31 117.51 120.48 1vgx h ILE 56 Ca 0.11 -2.59 -0.03 0.00 1.08 0.00 0.00 64.86 63.42 1vgx h ILE 56 Cb 0.45 2.40 -0.02 0.00 -1.09 0.00 0.00 36.82 38.56 1vgx h ILE 56 CO 0.02 0.74 0.21 -0.74 -1.08 0.00 0.00 178.15 177.30 1vgx h HIS 57 N 0.01 0.84 -0.43 2.19 2.76 -0.96 0.43 115.15 119.99 1vgx h HIS 57 Ca -0.01 -0.07 -0.11 0.00 -2.20 0.00 0.00 60.37 57.98 1vgx h HIS 57 Cb 1.34 -0.25 -0.01 0.00 1.55 0.00 0.00 27.41 30.04 1vgx h HIS 57 CO 0.00 0.69 -0.17 1.15 -1.30 0.00 0.00 177.93 178.30 1vgx h THR 58 N 0.74 1.28 -0.90 6.26 2.02 -0.96 -1.83 112.91 119.52 1vgx h THR 58 Ca 0.18 -1.31 0.01 0.00 0.77 0.00 0.00 66.41 66.06 1vgx h THR 58 Cb 0.22 1.22 -0.05 0.00 -1.74 0.00 0.00 68.15 67.80 1vgx h THR 58 CO -0.01 0.44 0.60 -0.07 0.37 0.00 0.00 175.52 176.85 1vgx h LEU 59 N 0.70 1.03 0.01 2.58 3.38 -0.68 -0.25 115.31 122.07 1vgx h LEU 59 Ca 0.10 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1vgx h LEU 59 Cb 0.73 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 1vgx h LEU 59 CO 0.06 0.74 -0.02 -0.08 0.09 0.00 0.00 178.44 179.22 1vgx h GLU 60 N 1.21 -0.05 -0.90 1.13 4.81 -0.51 0.18 114.58 120.46 1vgx h GLU 60 Ca 0.33 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.58 1vgx h GLU 60 Cb -0.12 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.23 1vgx h GLU 60 CO -0.08 -0.03 0.60 0.45 -0.73 0.00 0.00 179.01 179.22 1vgx h HIS 61 N -0.05 1.13 -0.10 0.92 3.86 -0.79 -1.94 115.15 118.19 1vgx h HIS 61 Ca 0.01 0.03 -0.13 0.00 -1.16 0.00 0.00 60.37 59.11 1vgx h HIS 61 Cb 0.05 -0.38 0.01 0.00 1.06 0.00 0.00 27.41 28.15 1vgx h HIS 61 CO -0.09 0.71 -0.45 -0.07 0.86 0.00 0.00 177.93 178.89 1vgx h LEU 62 N 1.21 0.57 -1.13 2.43 3.38 -0.91 -3.23 115.31 117.64 1vgx h LEU 62 Ca 0.33 -0.63 -0.06 0.00 0.09 0.00 0.00 57.88 57.61 1vgx h LEU 62 Cb -0.13 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 1vgx h LEU 62 CO -0.08 1.11 -0.28 -0.07 0.09 0.00 0.00 178.44 179.22 1vgx h LEU 63 N 0.07 0.00 -0.64 1.67 3.38 -0.98 -1.48 115.31 117.33 1vgx h LEU 63 Ca -0.03 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.05 1vgx h LEU 63 Cb 1.09 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.76 1vgx h LEU 63 CO 0.09 0.28 0.23 0.00 0.09 0.00 0.00 178.44 179.13 1vgx h ALA 64 N 1.72 0.83 0.14 1.53 0.00 -1.36 -0.36 119.26 121.76 1vgx h ALA 64 Ca -0.00 0.09 -0.28 0.00 0.00 0.00 0.00 54.91 54.72 1vgx h ALA 64 Cb 0.76 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1vgx h ALA 64 CO 0.04 -0.20 -1.38 0.78 0.00 0.00 0.00 179.25 178.49 1vgx h GLY 65 N 0.41 0.33 1.68 0.00 0.00 -1.64 -3.30 103.07 100.55 1vgx h GLY 65 Ca 0.33 -0.84 -0.09 0.00 0.00 0.00 0.00 47.33 46.73 1vgx h GLY 65 CO -0.33 0.74 -0.25 -0.97 0.00 0.00 0.00 176.54 175.72 1vgx h TYR 66 N -0.23 0.41 -0.56 5.60 0.99 -1.17 -1.79 116.97 120.21 1vgx h TYR 66 Ca -0.28 -0.08 -0.06 0.00 2.00 0.00 0.00 58.73 60.30 1vgx h TYR 66 Cb 1.81 -0.10 -0.02 0.00 1.00 0.00 0.00 36.73 39.41 1vgx h TYR 66 CO 0.13 0.60 0.12 0.52 -0.00 0.00 0.00 178.16 179.53 1vgx h MET 67 N 0.33 0.91 0.00 4.88 2.86 -1.24 -2.88 114.93 119.80 1vgx h MET 67 Ca 0.05 -0.23 -0.02 0.00 -2.06 0.00 0.00 59.70 57.44 1vgx h MET 67 Cb 0.62 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 32.16 1vgx h MET 67 CO 0.04 0.86 -0.11 0.00 1.06 0.00 0.00 176.91 178.77 1vgx h ARG 68 N 0.81 0.00 0.00 1.72 3.08 -1.51 0.17 114.38 118.65 1vgx h ARG 68 Ca 0.17 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.19 1vgx h ARG 68 Cb 0.37 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 1vgx h ARG 68 CO 0.01 0.11 -0.18 -0.44 -1.07 0.00 0.00 179.97 178.39 1vgx h ASP 69 N 0.00 0.00 -0.00 7.04 3.32 -1.12 -3.32 116.42 122.34 1vgx h ASP 69 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1vgx h ASP 69 Cb 0.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1vgx h ASP 69 CO 0.01 0.18 -0.00 1.41 -1.72 0.00 0.00 179.24 179.12 1vgx n HIS 70 N -3.37 0.00 -3.74 4.55 8.25 -0.49 -5.02 115.22 115.40 1vgx n HIS 70 Ca -0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.34 1vgx n HIS 70 Cb 0.39 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.37 1vgx n HIS 70 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1vgx s LEU 71 N -0.63 0.54 0.42 2.41 2.96 -0.07 -4.71 118.68 119.59 1vgx s LEU 71 Ca 0.00 0.55 -0.05 0.00 -0.22 0.00 0.00 54.13 54.42 1vgx s LEU 71 Cb 0.00 0.83 -0.04 0.00 0.50 0.00 0.00 46.19 47.48 1vgx s LEU 71 CO 0.00 -0.15 0.70 -1.61 -1.32 0.00 0.00 176.35 173.97 1vgx s GLU 72 N 0.96 3.57 -0.27 1.98 2.02 -1.26 -4.40 118.70 121.29 1vgx s GLU 72 Ca -0.07 0.09 0.00 0.00 0.02 0.00 0.00 54.97 55.01 1vgx s GLU 72 Cb -0.08 -2.48 0.00 0.00 0.10 0.00 0.00 34.13 31.68 1vgx s GLU 72 CO -0.06 -0.05 0.00 0.41 0.02 0.00 0.00 175.26 175.58 1vgx n GLY 73 N -1.85 0.55 3.70 -1.39 0.00 -1.26 -4.75 105.19 100.17 1vgx n GLY 73 Ca -0.01 -0.94 -0.42 0.00 0.00 0.00 0.00 46.02 44.65 1vgx n GLY 73 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vgx s VAL 74 N -2.10 3.71 -0.11 1.61 1.01 -1.26 -0.04 120.40 123.22 1vgx s VAL 74 Ca 0.00 1.14 -0.06 0.00 0.00 0.00 0.00 61.98 63.06 1vgx s VAL 74 Cb 0.00 -3.74 -0.05 0.00 0.00 0.00 0.00 36.38 32.59 1vgx s VAL 74 CO 0.00 0.03 0.13 0.58 0.00 0.00 0.00 175.10 175.83 1vgx h VAL 75 N 4.75 0.34 -2.18 2.92 2.07 -0.87 -3.47 116.25 119.82 1vgx h VAL 75 Ca -0.39 -1.27 0.15 0.00 0.82 0.00 0.00 66.70 66.01 1vgx h VAL 75 Cb 1.19 0.66 -0.14 0.00 -1.52 0.00 0.00 31.29 31.48 1vgx h VAL 75 CO 0.88 0.12 0.54 -1.81 0.02 0.00 0.00 177.57 177.31 1vgx s ASP 76 N -5.71 -0.29 -0.19 0.57 -0.00 -1.21 -5.00 116.67 104.83 1vgx s ASP 76 Ca -0.05 -0.09 0.00 0.00 -0.00 0.00 0.00 52.55 52.41 1vgx s ASP 76 Cb -0.00 0.37 0.02 0.00 -0.00 0.00 0.00 42.92 43.31 1vgx s ASP 76 CO 0.15 -0.63 -0.17 -0.69 -0.00 0.00 0.00 175.17 173.84 1vgx s VAL 77 N -3.06 2.28 0.16 -1.27 1.01 -1.26 -2.41 120.40 115.84 1vgx s VAL 77 Ca 0.07 -0.89 0.07 0.00 0.00 0.00 0.00 61.98 61.24 1vgx s VAL 77 Cb -0.01 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 1vgx s VAL 77 CO -0.06 0.50 -0.16 -0.44 0.00 0.00 0.00 175.10 174.94 1vgx s SER 78 N 1.31 2.43 0.31 3.32 0.01 0.33 -4.84 113.70 116.57 1vgx s SER 78 Ca 0.05 -0.87 -0.29 0.00 1.31 0.00 0.00 55.95 56.15 1vgx s SER 78 Cb -0.13 -0.12 -0.10 0.00 0.21 0.00 0.00 66.02 65.88 1vgx s SER 78 CO -0.11 -0.09 1.13 -2.16 0.41 0.00 0.00 173.24 172.41 1vgx s PRO 79 N -2.88 4.52 0.54 12.44 0.05 -1.26 0.48 135.00 148.88 1vgx s PRO 79 Ca 0.14 1.84 -0.17 0.00 0.05 0.00 0.00 61.00 62.86 1vgx s PRO 79 Cb -0.05 -3.08 -0.06 0.00 0.05 0.00 0.00 34.50 31.37 1vgx s PRO 79 CO 0.05 0.09 1.04 -1.64 0.05 0.00 0.00 177.00 176.59 1vgx s MET 80 N -1.65 3.59 0.00 4.56 -1.94 -0.65 -4.66 119.30 118.55 1vgx s MET 80 Ca 0.47 1.22 -0.00 0.00 -1.71 0.00 0.00 55.69 55.67 1vgx s MET 80 Cb -0.32 -2.07 -0.01 0.00 2.01 0.00 0.00 34.83 34.44 1vgx s MET 80 CO 0.41 -0.59 0.55 0.41 -0.01 0.00 0.00 175.02 175.79 1vgx n GLY 81 N -0.82 1.00 0.37 -0.03 0.00 -1.26 -4.64 105.19 99.80 1vgx n GLY 81 Ca 0.09 -0.05 -0.00 0.00 0.00 0.00 0.00 46.02 46.05 1vgx n GLY 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vgx n ARG 83 N 2.13 0.00 0.00 1.61 1.74 -1.26 -5.13 116.66 115.75 1vgx n ARG 83 Ca 0.02 -0.01 0.09 0.00 -0.77 0.00 0.00 57.85 57.19 1vgx n ARG 83 Cb 0.12 0.36 0.02 0.00 -1.02 0.00 0.00 32.46 31.94 1vgx n ARG 83 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1vgx n THR 84 N 0.00 0.00 -3.70 0.55 -2.24 -1.26 -0.07 114.28 107.56 1vgx n THR 84 Ca -0.00 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 1vgx n THR 84 Cb 0.19 1.27 0.00 0.00 -2.10 0.00 0.00 70.33 69.69 1vgx n THR 84 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1vgx n GLY 85 N 1.23 0.86 3.47 3.38 0.00 -1.26 -0.94 105.19 111.93 1vgx n GLY 85 Ca 0.09 -0.90 -0.29 0.00 0.00 0.00 0.00 46.02 44.92 1vgx n GLY 85 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1vgx s MET 86 N -2.00 1.69 -0.09 1.61 1.00 -0.05 -1.64 119.30 119.82 1vgx s MET 86 Ca 0.03 -1.26 -0.01 0.00 0.00 0.00 0.00 55.69 54.46 1vgx s MET 86 Cb -0.00 -2.04 -0.03 0.00 0.00 0.00 0.00 34.83 32.76 1vgx s MET 86 CO 0.00 0.46 -0.04 -0.47 0.00 0.00 0.00 175.02 174.97 1vgx s TYR 87 N -1.22 3.01 -0.02 -0.03 5.04 0.18 -1.27 117.35 123.05 1vgx s TYR 87 Ca 0.18 0.01 -0.00 0.00 -2.44 0.00 0.00 57.07 54.81 1vgx s TYR 87 Cb -0.10 -1.77 0.02 0.00 0.35 0.00 0.00 41.96 40.45 1vgx s TYR 87 CO 0.10 0.30 0.03 1.41 -1.34 0.00 0.00 175.55 176.05 1vgx s MET 88 N -0.62 -0.01 -0.09 4.97 -2.45 -0.80 -0.52 119.30 119.79 1vgx s MET 88 Ca 0.10 0.14 -0.02 0.00 -1.25 0.00 0.00 55.69 54.66 1vgx s MET 88 Cb -0.12 -0.15 -0.03 0.00 1.25 0.00 0.00 34.83 35.78 1vgx s MET 88 CO 0.02 -0.11 0.01 0.00 1.05 0.00 0.00 175.02 175.99 1vgx s ALA 89 N 0.68 3.30 -0.01 4.11 0.00 -1.01 -0.23 121.76 128.60 1vgx s ALA 89 Ca -0.06 -0.80 0.02 0.00 0.00 0.00 0.00 51.96 51.12 1vgx s ALA 89 Cb -0.08 -1.50 -0.00 0.00 0.00 0.00 0.00 23.12 21.54 1vgx s ALA 89 CO -0.02 0.59 -0.07 0.08 0.00 0.00 0.00 175.76 176.34 1vgx s VAL 90 N -0.88 0.54 -0.33 0.00 1.01 0.19 -0.11 120.40 120.82 1vgx s VAL 90 Ca 0.13 -0.27 -0.28 0.00 0.00 0.00 0.00 61.98 61.57 1vgx s VAL 90 Cb -0.11 -0.46 0.01 0.00 0.00 0.00 0.00 36.38 35.82 1vgx s VAL 90 CO 0.02 0.16 1.00 -0.63 0.00 0.00 0.00 175.10 175.66 1vgx s ILE 91 N -0.03 4.56 0.00 2.22 1.01 0.94 -0.54 121.20 129.36 1vgx s ILE 91 Ca 0.01 1.53 0.00 0.00 0.00 0.00 0.00 60.65 62.19 1vgx s ILE 91 Cb -0.04 -4.37 0.00 0.00 0.01 0.00 0.00 42.46 38.06 1vgx s ILE 91 CO -0.00 -0.47 0.00 0.61 0.00 0.00 0.00 174.94 175.08 1vgx n GLY 92 N 4.05 3.38 3.75 6.18 0.00 0.05 -4.61 105.19 118.00 1vgx n GLY 92 Ca 0.10 -1.21 -0.32 0.00 0.00 0.00 0.00 46.02 44.59 1vgx n GLY 92 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1vgx s GLU 93 N -2.31 2.23 0.23 1.61 -1.05 -1.26 -3.79 118.70 114.37 1vgx s GLU 93 Ca 0.00 1.37 -0.32 0.00 -0.15 0.00 0.00 54.97 55.88 1vgx s GLU 93 Cb 0.00 -1.88 -0.14 0.00 -0.44 0.00 0.00 34.13 31.67 1vgx s GLU 93 CO 0.00 -1.69 1.41 -2.30 0.95 0.00 0.00 175.26 173.63 1vgx n PRO 94 N -3.17 1.99 -2.97 -4.83 -0.02 -1.26 -4.94 135.00 119.80 1vgx n PRO 94 Ca 0.10 0.71 -0.14 0.00 -2.02 0.00 0.00 63.50 62.15 1vgx n PRO 94 Cb 0.52 -2.37 -0.01 0.00 -0.02 0.00 0.00 33.50 31.62 1vgx n PRO 94 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1vgx n ASP 95 N 2.24 -1.84 -0.33 2.55 2.03 -1.26 -5.01 116.55 114.92 1vgx n ASP 95 Ca 0.12 -2.92 -0.01 0.00 0.52 0.00 0.00 54.79 52.50 1vgx n ASP 95 Cb 0.31 0.80 0.15 0.00 -0.72 0.00 0.00 41.12 41.66 1vgx n ASP 95 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1vgx h GLU 96 N 4.45 1.22 -0.31 -0.67 5.08 -1.98 -0.34 114.58 122.04 1vgx h GLU 96 Ca 0.02 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 1vgx h GLU 96 Cb 0.99 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 1vgx h GLU 96 CO 0.30 0.81 0.09 0.37 -1.00 0.00 0.00 179.01 179.58 1vgx h GLN 97 N 1.26 0.48 -0.31 2.33 5.75 -1.97 0.16 115.11 122.81 1vgx h GLN 97 Ca 0.35 -0.11 -0.09 0.00 -0.15 0.00 0.00 58.65 58.65 1vgx h GLN 97 Cb -0.12 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.34 1vgx h GLN 97 CO -0.08 0.53 -0.18 0.78 -2.65 0.00 0.00 178.83 177.23 1vgx h GLY 98 N 0.34 0.61 1.54 2.39 0.00 -1.90 -1.61 103.07 104.44 1vgx h GLY 98 Ca 0.10 -0.47 -0.15 0.00 0.00 0.00 0.00 47.33 46.81 1vgx h GLY 98 CO -0.00 0.43 -0.51 -2.08 0.00 0.00 0.00 176.54 174.38 1vgx h VAL 99 N 0.51 1.32 -0.45 4.60 2.07 -0.86 -1.33 116.25 122.12 1vgx h VAL 99 Ca 0.08 -1.75 -0.02 0.00 0.82 0.00 0.00 66.70 65.84 1vgx h VAL 99 Cb 0.61 1.74 -0.02 0.00 -1.52 0.00 0.00 31.29 32.10 1vgx h VAL 99 CO 0.04 0.54 0.20 -0.03 0.02 0.00 0.00 177.57 178.34 1vgx h MET 100 N 0.39 0.65 -0.45 1.57 -1.53 -0.60 0.14 114.93 115.09 1vgx h MET 100 Ca 0.01 -0.11 -0.05 0.00 -3.44 0.00 0.00 59.70 56.12 1vgx h MET 100 Cb 1.03 -0.11 -0.02 0.00 -0.55 0.00 0.00 31.60 31.95 1vgx h MET 100 CO 0.09 0.57 0.08 0.87 0.14 0.00 0.00 176.91 178.67 1vgx h LYS 101 N 0.58 0.74 -0.24 0.39 1.79 -1.11 0.48 116.57 119.19 1vgx h LYS 101 Ca 0.15 -0.19 -0.00 0.00 -2.18 0.00 0.00 60.65 58.42 1vgx h LYS 101 Cb 0.15 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 30.70 1vgx h LYS 101 CO -0.02 0.76 0.13 0.00 -1.08 0.00 0.00 179.45 179.24 1vgx h ALA 102 N 0.95 0.31 -0.73 3.86 0.00 -1.00 -1.92 119.26 120.73 1vgx h ALA 102 Ca 0.14 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1vgx h ALA 102 Cb 0.37 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1vgx h ALA 102 CO 0.01 -0.16 0.48 0.35 0.00 0.00 0.00 179.25 179.93 1vgx h PHE 103 N 0.28 0.92 -0.45 0.00 3.57 -0.55 0.34 116.94 121.04 1vgx h PHE 103 Ca 0.08 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.64 1vgx h PHE 103 Cb 0.07 -0.31 -0.04 0.00 2.79 0.00 0.00 35.95 38.46 1vgx h PHE 103 CO -0.04 0.58 0.24 1.49 -2.23 0.00 0.00 178.31 178.36 1vgx h GLU 104 N 0.99 0.47 -0.69 1.11 4.81 -0.74 0.60 114.58 121.13 1vgx h GLU 104 Ca 0.27 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.40 1vgx h GLU 104 Cb -0.12 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.13 1vgx h GLU 104 CO -0.06 0.31 0.17 0.00 -0.73 0.00 0.00 179.01 178.71 1vgx h ALA 105 N 1.22 1.00 -0.03 2.92 0.00 -1.02 -1.57 119.26 121.80 1vgx h ALA 105 Ca 0.19 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 1vgx h ALA 105 Cb 0.07 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1vgx h ALA 105 CO -0.12 0.65 -0.43 0.00 0.00 0.00 0.00 179.25 179.35 1vgx h ALA 106 N 1.14 1.23 -0.07 0.00 0.00 -0.51 -1.19 119.26 119.86 1vgx h ALA 106 Ca 0.22 -0.40 -0.13 0.00 0.00 0.00 0.00 54.91 54.59 1vgx h ALA 106 Cb 0.35 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1vgx h ALA 106 CO 0.00 0.56 -0.56 -0.07 0.00 0.00 0.00 179.25 179.18 1vgx h LEU 107 N 0.05 0.25 -0.56 0.00 3.38 -0.56 0.11 115.31 117.97 1vgx h LEU 107 Ca 0.00 -0.13 -0.14 0.00 0.09 0.00 0.00 57.88 57.70 1vgx h LEU 107 Cb 0.79 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 1vgx h LEU 107 CO 0.06 0.75 -0.40 0.11 0.09 0.00 0.00 178.44 179.05 1vgx h LYS 108 N 0.17 0.71 -0.18 1.13 1.57 -0.80 0.12 116.57 119.30 1vgx h LYS 108 Ca -0.00 -0.37 -0.01 0.00 -1.87 0.00 0.00 60.65 58.40 1vgx h LYS 108 Cb 1.03 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.35 1vgx h LYS 108 CO 0.09 0.98 0.07 -0.44 -0.57 0.00 0.00 179.45 179.58 1vgx h ASP 109 N 0.58 0.25 -0.22 0.86 3.45 -0.96 -2.21 116.42 118.18 1vgx h ASP 109 Ca 0.05 -0.17 0.01 0.00 0.43 0.00 0.00 57.03 57.35 1vgx h ASP 109 Cb 0.94 -0.06 -0.02 0.00 -0.56 0.00 0.00 39.33 39.63 1vgx h ASP 109 CO 0.09 0.36 0.10 0.74 -1.57 0.00 0.00 179.24 178.95 1vgx h THR 110 N 0.13 0.99 -0.57 0.35 2.02 -0.55 -2.43 112.91 112.85 1vgx h THR 110 Ca 0.06 -0.08 0.05 0.00 0.77 0.00 0.00 66.41 67.21 1vgx h THR 110 Cb 0.19 0.74 -0.03 0.00 -1.74 0.00 0.00 68.15 67.31 1vgx h THR 110 CO -0.00 0.04 0.38 0.00 0.37 0.00 0.00 175.52 176.30 1vgx h ALA 111 N 1.12 1.80 -0.46 6.16 0.00 -0.65 -2.14 119.26 125.08 1vgx h ALA 111 Ca 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1vgx h ALA 111 Cb 0.03 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1vgx h ALA 111 CO -0.07 0.12 0.00 0.41 0.00 0.00 0.00 179.25 179.71 1vgx n GLY 112 N -1.48 1.95 3.49 0.00 0.00 -0.84 -4.89 105.19 103.43 1vgx n GLY 112 Ca 0.07 -0.60 -0.42 0.00 0.00 0.00 0.00 46.02 45.07 1vgx n GLY 112 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1vgx s HIS 113 N -1.75 2.60 -0.40 1.61 2.46 -0.81 -4.82 115.29 114.19 1vgx s HIS 113 Ca 0.36 -0.56 0.05 0.00 0.47 0.00 0.00 55.06 55.38 1vgx s HIS 113 Cb 0.23 -4.44 0.47 0.00 -0.13 0.00 0.00 32.58 28.71 1vgx s HIS 113 CO 0.17 -1.79 1.49 -0.40 -2.47 0.00 0.00 174.74 171.74 1vgx n ASP 114 N 8.18 5.11 -4.56 9.88 3.85 -1.26 -4.98 116.55 132.77 1vgx n ASP 114 Ca 0.06 -3.77 -0.26 0.00 -0.71 0.00 0.00 54.79 50.11 1vgx n ASP 114 Cb 0.48 -0.59 -0.11 0.00 -1.35 0.00 0.00 41.12 39.55 1vgx n ASP 114 CO 0.00 0.00 0.00 -1.10 -1.01 0.00 0.00 177.20 175.09 1vgx s GLN 115 N -3.58 1.84 0.51 0.11 -0.21 -1.26 -5.10 119.66 111.97 1vgx s GLN 115 Ca 0.53 -2.00 -0.21 0.00 0.02 0.00 0.00 55.36 53.71 1vgx s GLN 115 Cb 0.44 -1.53 -0.08 0.00 1.00 0.00 0.00 33.01 32.83 1vgx s GLN 115 CO 0.02 0.01 0.89 -2.30 -2.12 0.00 0.00 175.29 171.79 1vgx n PRO 116 N -0.84 1.01 -2.17 2.91 -0.02 -1.26 -4.92 135.00 129.71 1vgx n PRO 116 Ca -0.05 0.38 -0.42 0.00 -2.02 0.00 0.00 63.50 61.39 1vgx n PRO 116 Cb 0.65 -2.01 -0.03 0.00 -0.02 0.00 0.00 33.50 32.09 1vgx n PRO 116 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1vgx s ILE 117 N -1.45 3.29 0.36 4.25 1.01 -1.26 -4.94 121.20 122.47 1vgx s ILE 117 Ca 0.69 0.93 -0.27 0.00 0.00 0.00 0.00 60.65 61.99 1vgx s ILE 117 Cb -0.49 -3.60 -0.09 0.00 0.01 0.00 0.00 42.46 38.29 1vgx s ILE 117 CO 0.53 0.07 1.28 -2.16 0.00 0.00 0.00 174.94 174.66 1vgx s PRO 118 N 1.09 4.20 -0.65 2.79 0.04 -1.26 -3.52 135.00 137.69 1vgx s PRO 118 Ca 0.65 2.13 0.00 0.00 0.04 0.00 0.00 61.00 63.81 1vgx s PRO 118 Cb -0.37 -2.92 0.00 0.00 0.04 0.00 0.00 34.50 31.25 1vgx s PRO 118 CO 0.30 -0.29 0.00 0.41 0.04 0.00 0.00 177.00 177.46 1vgx n GLY 119 N 0.75 0.36 3.24 0.56 0.00 -1.26 -4.91 105.19 103.93 1vgx n GLY 119 Ca 0.02 -0.64 -0.42 0.00 0.00 0.00 0.00 46.02 44.97 1vgx n GLY 119 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vgx s VAL 120 N -2.32 4.58 0.17 1.61 1.01 -1.23 -3.93 120.40 120.28 1vgx s VAL 120 Ca 0.00 -1.95 -0.24 0.00 0.00 0.00 0.00 61.98 59.78 1vgx s VAL 120 Cb 0.00 -3.96 0.06 0.00 0.00 0.00 0.00 36.38 32.48 1vgx s VAL 120 CO 0.00 -0.85 0.96 -0.94 0.00 0.00 0.00 175.10 174.27 1vgx s SER 121 N 2.59 -0.16 0.42 3.32 1.04 -1.26 -4.99 113.70 114.66 1vgx s SER 121 Ca 0.08 -0.46 0.19 0.00 0.48 0.00 0.00 55.95 56.25 1vgx s SER 121 Cb -0.24 0.51 0.92 0.00 0.10 0.00 0.00 66.02 67.31 1vgx s SER 121 CO -0.01 -0.95 1.86 -0.08 0.98 0.00 0.00 173.24 175.04 1vgx h GLU 122 N 2.00 0.00 -0.02 4.02 4.81 -1.94 -1.17 114.58 122.28 1vgx h GLU 122 Ca -0.24 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 58.78 1vgx h GLU 122 Cb 1.23 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.61 1vgx h GLU 122 CO 0.27 0.30 -0.87 -0.07 -0.73 0.00 0.00 179.01 177.90 1vgx h LEU 123 N 0.00 0.48 -0.53 1.64 3.38 -1.96 -3.37 115.31 114.94 1vgx h LEU 123 Ca -0.00 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1vgx h LEU 123 Cb 0.65 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1vgx h LEU 123 CO 0.04 1.14 -0.50 -0.62 0.09 0.00 0.00 178.44 178.59 1vgx n GLU 124 N -3.76 1.72 -3.87 1.13 1.02 -0.83 -4.99 120.64 111.05 1vgx n GLU 124 Ca -0.05 -0.49 -0.12 0.00 -0.02 0.00 0.00 57.16 56.48 1vgx n GLU 124 Cb 0.79 -1.27 -0.13 0.00 -0.02 0.00 0.00 31.44 30.82 1vgx n GLU 124 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1vgx n GLY 126 N 2.60 -1.23 2.64 0.00 0.00 -1.26 -4.01 105.19 103.92 1vgx n GLY 126 Ca -0.16 -0.11 -0.11 0.00 0.00 0.00 0.00 46.02 45.64 1vgx n GLY 126 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1vgx n ASN 127 N -1.36 -2.17 0.27 1.61 5.15 -1.26 -5.02 115.26 112.47 1vgx n ASN 127 Ca 0.10 -3.29 0.14 0.00 -0.60 0.00 0.00 54.58 50.93 1vgx n ASN 127 Cb 0.24 1.39 0.77 0.00 -0.53 0.00 0.00 39.78 41.65 1vgx n ASN 127 CO 0.00 0.00 0.00 0.10 1.40 0.00 0.00 177.26 178.76 1vgx h TYR 128 N 3.74 0.00 0.00 1.20 -0.00 -1.85 -1.02 116.97 119.04 1vgx h TYR 128 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.63 1vgx h TYR 128 Cb 1.02 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.75 1vgx h TYR 128 CO 0.15 0.10 0.00 0.00 -0.00 0.00 0.00 178.16 178.41 1vgx h ARG 129 N 0.00 0.00 -3.36 0.10 3.08 -1.95 -3.39 114.38 108.86 1vgx h ARG 129 Ca -0.00 0.00 -0.78 0.00 0.07 0.00 0.00 59.98 59.27 1vgx h ARG 129 Cb 0.32 0.00 -0.20 0.00 0.08 0.00 0.00 29.97 30.16 1vgx h ARG 129 CO 0.01 0.00 1.51 -3.47 -1.07 0.00 0.00 179.97 176.95 1vgx n ASP 130 N -2.59 5.58 -4.10 7.04 2.03 -0.39 -4.92 116.55 119.20 1vgx n ASP 130 Ca 0.05 -3.21 -0.11 0.00 0.52 0.00 0.00 54.79 52.04 1vgx n ASP 130 Cb 0.47 -1.41 -0.11 0.00 -0.72 0.00 0.00 41.12 39.35 1vgx n ASP 130 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 1vgx s HIS 131 N -0.73 0.68 -0.34 -0.67 3.76 -1.26 -4.45 115.29 112.29 1vgx s HIS 131 Ca 0.36 -0.76 0.03 0.00 -0.15 0.00 0.00 55.06 54.54 1vgx s HIS 131 Cb 0.07 -0.42 0.16 0.00 1.11 0.00 0.00 32.58 33.50 1vgx s HIS 131 CO 0.04 -0.17 0.42 0.34 -0.85 0.00 0.00 174.74 174.52 1vgx s ASP 132 N -2.37 0.47 0.11 1.40 -1.08 -1.22 -4.82 116.67 109.16 1vgx s ASP 132 Ca 0.01 -0.90 -0.15 0.00 -0.52 0.00 0.00 52.55 50.99 1vgx s ASP 132 Cb -0.01 1.00 -0.05 0.00 -1.46 0.00 0.00 42.92 42.40 1vgx s ASP 132 CO -0.04 -0.30 1.51 0.25 0.52 0.00 0.00 175.17 177.12 1vgx h LEU 133 N 7.60 0.70 -0.53 -1.34 5.85 -1.95 -1.43 115.31 124.21 1vgx h LEU 133 Ca -0.02 -0.37 0.03 0.00 0.84 0.00 0.00 57.88 58.36 1vgx h LEU 133 Cb 1.10 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.90 1vgx h LEU 133 CO 0.22 0.91 0.31 0.00 -0.34 0.00 0.00 178.44 179.54 1vgx h ALA 134 N 0.81 0.68 -0.42 1.25 0.00 -1.96 0.60 119.26 120.23 1vgx h ALA 134 Ca 0.09 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 1vgx h ALA 134 Cb 0.61 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1vgx h ALA 134 CO 0.04 0.00 -0.08 0.00 0.00 0.00 0.00 179.25 179.21 1vgx h ALA 135 N 1.25 0.57 -0.23 0.00 0.00 -1.96 -0.72 119.26 118.17 1vgx h ALA 135 Ca 0.22 -0.31 0.04 0.00 0.00 0.00 0.00 54.91 54.86 1vgx h ALA 135 Cb 0.06 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1vgx h ALA 135 CO -0.11 0.43 0.01 0.00 0.00 0.00 0.00 179.25 179.58 1vgx h ALA 136 N 0.86 0.21 -0.71 0.00 0.00 -0.91 -0.29 119.26 118.42 1vgx h ALA 136 Ca 0.11 0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.12 1vgx h ALA 136 Cb 0.60 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 1vgx h ALA 136 CO 0.04 -0.41 0.42 0.00 0.00 0.00 0.00 179.25 179.30 1vgx h ARG 137 N 0.09 0.77 -0.30 0.00 3.08 -0.70 -1.54 114.38 115.78 1vgx h ARG 137 Ca 0.11 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 60.03 1vgx h ARG 137 Cb 0.13 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 1vgx h ARG 137 CO -0.17 0.51 -0.16 0.37 -1.07 0.00 0.00 179.97 179.44 1vgx h GLN 138 N 0.80 0.53 -0.59 0.04 5.75 -0.84 -0.29 115.11 120.50 1vgx h GLN 138 Ca 0.30 -0.17 -0.04 0.00 -0.15 0.00 0.00 58.65 58.59 1vgx h GLN 138 Cb 0.11 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 28.59 1vgx h GLN 138 CO -0.15 0.68 0.22 0.45 -2.65 0.00 0.00 178.83 177.37 1vgx h HIS 139 N 0.48 0.92 -0.61 3.99 3.86 -0.74 0.22 115.15 123.27 1vgx h HIS 139 Ca 0.08 -0.08 -0.03 0.00 -1.16 0.00 0.00 60.37 59.18 1vgx h HIS 139 Cb 0.56 -0.27 -0.03 0.00 1.06 0.00 0.00 27.41 28.74 1vgx h HIS 139 CO 0.02 0.75 0.25 0.00 0.86 0.00 0.00 177.93 179.81 1vgx h ALA 140 N 1.07 0.79 -0.15 2.45 0.00 -0.96 -2.10 119.26 120.36 1vgx h ALA 140 Ca 0.19 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 1vgx h ALA 140 Cb 0.24 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1vgx h ALA 140 CO -0.01 0.39 -0.33 -0.09 0.00 0.00 0.00 179.25 179.21 1vgx h ARG 141 N 0.84 0.29 -0.69 0.00 9.65 -0.54 -2.44 114.38 121.48 1vgx h ARG 141 Ca 0.20 -0.12 -0.06 0.00 -1.10 0.00 0.00 59.98 58.91 1vgx h ARG 141 Cb 0.19 -0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 28.72 1vgx h ARG 141 CO -0.02 0.59 0.20 -0.44 2.80 0.00 0.00 179.97 183.10 1vgx h ASP 142 N 0.25 1.02 -0.34 -3.80 3.32 -0.26 0.26 116.42 116.87 1vgx h ASP 142 Ca 0.03 -0.21 -0.02 0.00 0.02 0.00 0.00 57.03 56.85 1vgx h ASP 142 Cb 0.70 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 1vgx h ASP 142 CO 0.05 0.96 0.13 0.58 -1.72 0.00 0.00 179.24 179.24 1vgx h VAL 143 N 1.02 1.19 -0.34 -1.35 2.07 -1.08 -1.12 116.25 116.64 1vgx h VAL 143 Ca 0.22 -0.61 -0.08 0.00 0.82 0.00 0.00 66.70 67.06 1vgx h VAL 143 Cb 0.32 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 1vgx h VAL 143 CO -0.00 0.21 -0.11 -0.07 0.02 0.00 0.00 177.57 177.62 1vgx h LEU 144 N 0.40 0.56 -0.49 2.57 3.38 -1.15 0.17 115.31 120.75 1vgx h LEU 144 Ca 0.11 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 1vgx h LEU 144 Cb 0.21 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1vgx h LEU 144 CO -0.01 0.70 0.05 0.44 0.09 0.00 0.00 178.44 179.72 1vgx h ASP 145 N 0.53 0.81 0.07 -0.43 3.32 -0.62 -3.06 116.42 117.03 1vgx h ASP 145 Ca 0.10 -0.28 -0.16 0.00 0.02 0.00 0.00 57.03 56.71 1vgx h ASP 145 Cb 0.51 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 1vgx h ASP 145 CO 0.03 0.88 -0.56 1.56 -1.72 0.00 0.00 179.24 179.44 1vgx h GLN 146 N 0.70 0.51 -0.02 3.56 4.20 -0.94 -3.50 115.11 119.63 1vgx h GLN 146 Ca 0.15 -0.33 0.00 0.00 0.06 0.00 0.00 58.65 58.53 1vgx h GLN 146 Cb 0.44 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.26 1vgx h GLN 146 CO 0.02 0.93 0.00 0.41 -0.67 0.00 0.00 178.83 179.52 1vgx n GLY 147 N 0.25 0.93 3.92 3.46 0.00 0.02 -4.97 105.19 108.80 1vgx n GLY 147 Ca -0.03 -1.31 -0.26 0.00 0.00 0.00 0.00 46.02 44.42 1vgx n GLY 147 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1vgx s LEU 148 N -0.13 3.49 0.20 0.99 1.43 -1.26 -4.40 118.68 119.00 1vgx s LEU 148 Ca 0.00 0.75 -0.17 0.00 -1.03 0.00 0.00 54.13 53.68 1vgx s LEU 148 Cb 0.00 -3.65 0.03 0.00 0.03 0.00 0.00 46.19 42.60 1vgx s LEU 148 CO 0.00 -0.77 0.52 -1.59 0.23 0.00 0.00 176.35 174.74 1vgx s LYS 149 N -4.81 1.40 -0.36 1.70 0.00 -1.24 -5.02 119.74 111.42 1vgx s LYS 149 Ca 0.50 -0.90 -0.23 0.00 0.00 0.00 0.00 55.97 55.34 1vgx s LYS 149 Cb -0.10 0.52 0.01 0.00 0.00 0.00 0.00 37.83 38.26 1vgx s LYS 149 CO 0.44 -0.60 0.79 0.08 0.00 0.00 0.00 175.35 176.06 1vgx s VAL 150 N -3.89 4.73 -0.06 1.79 1.01 -1.26 -1.38 120.40 121.35 1vgx s VAL 150 Ca 0.10 0.91 -0.22 0.00 0.00 0.00 0.00 61.98 62.77 1vgx s VAL 150 Cb -0.01 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 32.12 1vgx s VAL 150 CO -0.02 -0.42 0.64 -1.58 0.00 0.00 0.00 175.10 173.72 1vgx s GLN 151 N 3.10 4.40 0.41 2.72 2.00 -0.22 -4.95 119.66 127.12 1vgx s GLN 151 Ca 0.32 0.78 -0.21 0.00 -2.00 0.00 0.00 55.36 54.25 1vgx s GLN 151 Cb -0.13 -3.42 -0.11 0.00 0.80 0.00 0.00 33.01 30.15 1vgx s GLN 151 CO 0.17 0.16 0.92 -1.83 -0.50 0.00 0.00 175.29 174.21 1vgx s GLU 152 N 0.52 4.23 -0.24 1.67 -1.05 -1.26 -4.60 118.70 117.96 1vgx s GLU 152 Ca 0.34 1.08 -0.27 0.00 -0.15 0.00 0.00 54.97 55.97 1vgx s GLU 152 Cb -0.17 -2.25 0.00 0.00 -0.44 0.00 0.00 34.13 31.27 1vgx s GLU 152 CO 0.17 0.01 0.95 0.99 0.95 0.00 0.00 175.26 178.32 1vgx s THR 153 N -2.12 4.74 -0.30 1.83 2.01 -1.26 -4.95 115.64 115.59 1vgx s THR 153 Ca 0.60 1.79 -0.11 0.00 0.31 0.00 0.00 61.69 64.29 1vgx s THR 153 Cb -0.10 -4.23 -0.02 0.00 0.01 0.00 0.00 72.50 68.16 1vgx s THR 153 CO 0.14 -0.16 0.17 -0.63 -0.69 0.00 0.00 174.62 173.46 1vgx s ILE 154 N 3.08 4.94 0.42 1.82 -1.09 -1.26 -5.05 121.20 124.05 1vgx s ILE 154 Ca 0.40 -0.17 -0.17 0.00 -2.23 0.00 0.00 60.65 58.48 1vgx s ILE 154 Cb -0.15 -3.45 -0.09 0.00 -1.58 0.00 0.00 42.46 37.19 1vgx s ILE 154 CO 0.07 0.13 0.88 -0.76 -1.23 0.00 0.00 174.94 174.04 1vgx s LEU 155 N 1.68 3.89 0.00 2.97 1.43 -1.26 -0.37 118.68 127.02 1vgx s LEU 155 Ca 0.06 1.49 0.19 0.00 -1.03 0.00 0.00 54.13 54.84 1vgx s LEU 155 Cb -0.17 -4.35 1.14 0.00 0.03 0.00 0.00 46.19 42.85 1vgx s LEU 155 CO 0.08 -0.37 1.53 0.18 0.23 0.00 0.00 176.35 178.00