#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vg3 n PRO 14 N 0.00 1.35 -2.49 -1.08 -0.04 -1.26 -4.88 135.00 126.60 2vg3 n PRO 14 Ca 0.00 -0.53 -0.34 0.00 -0.04 0.00 0.00 63.50 62.59 2vg3 n PRO 14 Cb 0.00 -1.29 -0.03 0.00 -0.04 0.00 0.00 33.50 32.14 2vg3 n PRO 14 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2vg3 s GLN 15 N -1.88 3.74 0.31 0.54 1.11 -1.26 -4.25 119.66 117.97 2vg3 s GLN 15 Ca 0.26 1.35 -0.28 0.00 0.01 0.00 0.00 55.36 56.70 2vg3 s GLN 15 Cb 0.13 -2.09 -0.09 0.00 -1.01 0.00 0.00 33.01 29.95 2vg3 s GLN 15 CO 0.20 -0.48 1.11 -0.51 0.01 0.00 0.00 175.29 175.62 2vg3 s LEU 16 N -3.59 4.47 0.89 2.90 1.43 -0.52 -5.01 118.68 119.24 2vg3 s LEU 16 Ca 0.67 2.27 -0.12 0.00 -1.03 0.00 0.00 54.13 55.92 2vg3 s LEU 16 Cb -0.16 -3.72 0.08 0.00 0.03 0.00 0.00 46.19 42.41 2vg3 s LEU 16 CO 0.22 -0.24 0.83 -2.65 0.23 0.00 0.00 176.35 174.73 2vg3 n PRO 17 N 0.93 -0.20 -1.57 1.29 -0.02 -1.26 -4.74 135.00 129.44 2vg3 n PRO 17 Ca 0.00 0.00 -0.45 0.00 -2.02 0.00 0.00 63.50 61.03 2vg3 n PRO 17 Cb 0.45 -2.15 -0.02 0.00 -0.02 0.00 0.00 33.50 31.76 2vg3 n PRO 17 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2vg3 n PRO 18 N -2.80 1.22 -1.63 0.52 -0.02 -1.26 -4.88 135.00 126.15 2vg3 n PRO 18 Ca 0.10 0.43 -0.34 0.00 -2.02 0.00 0.00 63.50 61.67 2vg3 n PRO 18 Cb 0.52 -1.78 0.07 0.00 -0.02 0.00 0.00 33.50 32.29 2vg3 n PRO 18 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2vg3 s ALA 19 N -0.98 2.29 0.42 3.55 0.00 -1.26 -4.93 121.76 120.85 2vg3 s ALA 19 Ca 0.60 0.82 -0.24 0.00 0.00 0.00 0.00 51.96 53.14 2vg3 s ALA 19 Cb -0.73 -3.43 -0.11 0.00 0.00 0.00 0.00 23.12 18.85 2vg3 s ALA 19 CO 0.59 -1.58 0.91 -2.30 0.00 0.00 0.00 175.76 173.38 2vg3 n PRO 20 N -2.41 1.16 -0.13 0.00 -0.02 -1.26 -4.83 135.00 127.51 2vg3 n PRO 20 Ca 0.13 0.42 0.11 0.00 -2.02 0.00 0.00 63.50 62.13 2vg3 n PRO 20 Cb 0.51 -1.92 0.46 0.00 -0.02 0.00 0.00 33.50 32.52 2vg3 n PRO 20 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2vg3 h ASP 21 N 1.35 0.45 -0.10 2.55 3.58 -2.00 -1.80 116.42 120.44 2vg3 h ASP 21 Ca -0.43 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.03 2vg3 h ASP 21 Cb 1.35 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 42.32 2vg3 h ASP 21 CO 0.56 0.27 0.00 -0.90 -2.88 0.00 0.00 179.24 176.29 2vg3 n ASP 22 N -4.48 1.41 -4.77 2.28 5.75 -1.26 -4.93 116.55 110.55 2vg3 n ASP 22 Ca 0.11 -1.60 -0.40 0.00 -0.01 0.00 0.00 54.79 52.89 2vg3 n ASP 22 Cb 0.37 -0.06 -0.02 0.00 -1.03 0.00 0.00 41.12 40.38 2vg3 n ASP 22 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 2vg3 s TYR 23 N -1.87 2.97 0.45 2.11 5.04 -0.68 -4.93 117.35 120.44 2vg3 s TYR 23 Ca 0.34 1.43 -0.22 0.00 -2.44 0.00 0.00 57.07 56.18 2vg3 s TYR 23 Cb 0.18 -3.65 -0.11 0.00 0.35 0.00 0.00 41.96 38.73 2vg3 s TYR 23 CO 0.28 -1.88 0.66 -2.30 -1.34 0.00 0.00 175.55 170.97 2vg3 n PRO 24 N 0.50 0.73 -3.96 4.97 -0.02 -1.26 -4.73 135.00 131.23 2vg3 n PRO 24 Ca 0.02 0.27 -0.22 0.00 -2.02 0.00 0.00 63.50 61.55 2vg3 n PRO 24 Cb 0.43 -1.68 -0.05 0.00 -0.02 0.00 0.00 33.50 32.18 2vg3 n PRO 24 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2vg3 s THR 25 N -1.47 3.38 -0.16 3.45 -4.23 -1.26 -1.40 115.64 113.95 2vg3 s THR 25 Ca 0.65 -1.52 -0.25 0.00 -1.18 0.00 0.00 61.69 59.38 2vg3 s THR 25 Cb -0.56 -3.10 0.06 0.00 1.34 0.00 0.00 72.50 70.24 2vg3 s THR 25 CO 0.57 -0.19 0.64 0.12 -0.54 0.00 0.00 174.62 175.21 2vg3 s PHE 26 N -2.34 -0.66 0.10 3.99 5.36 0.33 -4.71 117.98 120.04 2vg3 s PHE 26 Ca 0.39 1.43 -0.03 0.00 -0.96 0.00 0.00 56.93 57.75 2vg3 s PHE 26 Cb -0.05 0.30 -0.05 0.00 -0.34 0.00 0.00 43.02 42.88 2vg3 s PHE 26 CO 0.25 -0.45 0.30 -1.25 -1.46 0.00 0.00 175.22 172.61 2vg3 s PRO 27 N -0.33 3.54 -0.44 10.12 0.04 -1.26 -2.23 135.00 144.44 2vg3 s PRO 27 Ca -0.05 -0.23 -0.15 0.00 0.04 0.00 0.00 61.00 60.61 2vg3 s PRO 27 Cb -0.03 -2.94 0.05 0.00 0.04 0.00 0.00 34.50 31.62 2vg3 s PRO 27 CO 0.04 0.54 0.35 0.34 0.04 0.00 0.00 177.00 178.31 2vg3 s ASP 28 N -2.40 6.12 -0.12 6.66 -1.08 -1.26 -4.82 116.67 119.76 2vg3 s ASP 28 Ca 0.38 -1.13 0.08 0.00 -0.52 0.00 0.00 52.55 51.35 2vg3 s ASP 28 Cb -0.13 -2.17 0.44 0.00 -1.46 0.00 0.00 42.92 39.60 2vg3 s ASP 28 CO 0.25 -0.55 1.17 0.35 0.52 0.00 0.00 175.17 176.91 2vg3 n THR 29 N 5.18 1.45 1.72 1.71 -2.24 -1.26 -3.89 114.28 116.95 2vg3 n THR 29 Ca -0.12 -0.74 0.15 0.00 -2.27 0.00 0.00 64.05 61.07 2vg3 n THR 29 Cb 0.45 -0.36 0.74 0.00 -2.10 0.00 0.00 70.33 69.07 2vg3 n THR 29 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2vg3 n SER 30 N 0.35 0.61 -4.05 3.42 3.41 -1.26 -4.75 113.62 111.34 2vg3 n SER 30 Ca 0.15 -1.11 -0.16 0.00 -0.26 0.00 0.00 58.87 57.49 2vg3 n SER 30 Cb 0.75 -0.01 -0.13 0.00 -0.26 0.00 0.00 64.21 64.55 2vg3 n SER 30 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2vg3 s THR 31 N -2.08 0.67 -0.05 6.66 -1.32 -1.25 -5.13 115.64 113.14 2vg3 s THR 31 Ca 0.41 -0.79 0.03 0.00 -1.21 0.00 0.00 61.69 60.13 2vg3 s THR 31 Cb 0.21 -0.65 0.01 0.00 -1.51 0.00 0.00 72.50 70.56 2vg3 s THR 31 CO 0.37 -0.11 -0.13 0.86 -2.21 0.00 0.00 174.62 173.40 2vg3 s TRP 32 N -0.84 1.45 0.77 9.09 -0.00 -1.26 -2.99 118.94 125.16 2vg3 s TRP 32 Ca -0.03 -0.48 -0.14 0.00 -0.00 0.00 0.00 56.10 55.45 2vg3 s TRP 32 Cb -0.07 -1.03 0.06 0.00 -0.00 0.00 0.00 33.47 32.43 2vg3 s TRP 32 CO 0.00 -0.22 1.21 -2.14 -0.00 0.00 0.00 176.95 175.80 2vg3 s PRO 33 N 0.44 1.85 0.50 5.86 0.02 -1.26 -5.09 135.00 137.32 2vg3 s PRO 33 Ca -0.10 1.76 -0.22 0.00 0.02 0.00 0.00 61.00 62.45 2vg3 s PRO 33 Cb -0.14 -1.80 -0.06 0.00 0.02 0.00 0.00 34.50 32.52 2vg3 s PRO 33 CO 0.03 -2.05 1.26 0.14 -0.33 0.00 0.00 177.00 176.04 2vg3 s VAL 34 N -2.08 2.62 -0.14 3.83 -7.23 -1.16 -4.97 120.40 111.27 2vg3 s VAL 34 Ca 0.74 0.46 -0.25 0.00 -1.81 0.00 0.00 61.98 61.12 2vg3 s VAL 34 Cb -0.29 -3.23 -0.02 0.00 0.56 0.00 0.00 36.38 33.40 2vg3 s VAL 34 CO 0.48 -0.01 0.80 -0.69 -0.31 0.00 0.00 175.10 175.37 2vg3 s VAL 35 N -1.43 4.92 -0.18 1.32 1.01 -1.26 -5.02 120.40 119.76 2vg3 s VAL 35 Ca 0.67 1.58 -0.21 0.00 0.00 0.00 0.00 61.98 64.02 2vg3 s VAL 35 Cb -0.34 -4.11 -0.03 0.00 0.00 0.00 0.00 36.38 31.90 2vg3 s VAL 35 CO 0.41 0.08 0.65 0.12 0.00 0.00 0.00 175.10 176.36 2vg3 s PHE 36 N 1.82 3.40 0.57 5.22 5.36 -1.26 -4.71 117.98 128.38 2vg3 s PHE 36 Ca 0.38 0.99 -0.19 0.00 -0.96 0.00 0.00 56.93 57.15 2vg3 s PHE 36 Cb -0.17 -2.81 -0.05 0.00 -0.34 0.00 0.00 43.02 39.65 2vg3 s PHE 36 CO 0.14 -0.14 1.13 -1.25 -1.46 0.00 0.00 175.22 173.64 2vg3 s PRO 37 N 1.78 3.22 0.28 10.12 0.04 -1.26 -4.97 135.00 144.21 2vg3 s PRO 37 Ca 0.30 1.60 -0.30 0.00 0.04 0.00 0.00 61.00 62.64 2vg3 s PRO 37 Cb -0.16 -1.99 -0.11 0.00 0.04 0.00 0.00 34.50 32.28 2vg3 s PRO 37 CO 0.11 -0.95 1.53 -1.21 0.04 0.00 0.00 177.00 176.51 2vg3 s GLU 38 N -3.42 4.18 -0.01 4.56 2.02 -1.26 -5.02 118.70 119.74 2vg3 s GLU 38 Ca 0.72 2.47 0.03 0.00 0.02 0.00 0.00 54.97 58.21 2vg3 s GLU 38 Cb -0.24 -3.05 -0.03 0.00 0.10 0.00 0.00 34.13 30.91 2vg3 s GLU 38 CO 0.30 -0.54 -0.07 -0.51 0.02 0.00 0.00 175.26 174.46 2vg3 s LEU 39 N -0.61 3.15 0.48 1.80 1.43 -1.26 -4.83 118.68 118.83 2vg3 s LEU 39 Ca 0.61 -0.12 -0.22 0.00 -1.03 0.00 0.00 54.13 53.37 2vg3 s LEU 39 Cb -0.45 -1.77 -0.09 0.00 0.03 0.00 0.00 46.19 43.90 2vg3 s LEU 39 CO 0.48 0.30 0.91 -2.65 0.23 0.00 0.00 176.35 175.62 2vg3 n PRO 40 N 1.74 1.09 -2.13 1.29 -0.02 -1.26 -4.92 135.00 130.79 2vg3 n PRO 40 Ca -0.16 0.40 -0.37 0.00 -2.02 0.00 0.00 63.50 61.35 2vg3 n PRO 40 Cb 0.53 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 2vg3 n PRO 40 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2vg3 s ALA 41 N -1.40 2.93 -0.12 3.55 0.00 -1.26 -4.95 121.76 120.51 2vg3 s ALA 41 Ca 0.67 1.04 -0.22 0.00 0.00 0.00 0.00 51.96 53.45 2vg3 s ALA 41 Cb -0.52 -3.43 -0.03 0.00 0.00 0.00 0.00 23.12 19.14 2vg3 s ALA 41 CO 0.54 -0.85 0.66 0.00 0.00 0.00 0.00 175.76 176.11 2vg3 s ALA 42 N -1.48 3.43 0.41 0.00 0.00 -1.26 -5.03 121.76 117.83 2vg3 s ALA 42 Ca 0.66 -0.04 0.14 0.00 0.00 0.00 0.00 51.96 52.72 2vg3 s ALA 42 Cb -0.32 -2.94 1.00 0.00 0.00 0.00 0.00 23.12 20.87 2vg3 s ALA 42 CO 0.38 -0.26 1.90 -1.35 0.00 0.00 0.00 175.76 176.43 2vg3 h PRO 43 N 7.00 0.46 0.00 0.00 0.11 -1.97 -3.45 132.00 134.16 2vg3 h PRO 43 Ca -0.37 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.71 2vg3 h PRO 43 Cb 1.17 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2vg3 h PRO 43 CO 0.77 0.31 0.00 2.48 -0.21 0.00 0.00 178.00 181.34 2vg3 n TYR 44 N -4.50 0.00 -1.44 0.65 4.11 -1.26 -5.16 117.16 109.56 2vg3 n TYR 44 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.06 2vg3 n TYR 44 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.88 2vg3 n TYR 44 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2vg3 n GLY 45 N 3.38 0.07 0.00 -7.48 0.00 -1.26 -5.18 105.19 94.71 2vg3 n GLY 45 Ca 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.20 2vg3 n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vg3 n GLY 46 N 5.00 -2.16 3.76 -0.02 0.00 -1.26 -4.79 105.19 105.72 2vg3 n GLY 46 Ca 0.00 0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 2vg3 n GLY 46 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2vg3 s PRO 47 N -0.32 4.17 0.21 1.61 0.04 -1.26 -4.87 135.00 134.58 2vg3 s PRO 47 Ca 0.00 2.48 -0.15 0.00 0.04 0.00 0.00 61.00 63.37 2vg3 s PRO 47 Cb 0.00 -3.04 -0.08 0.00 0.04 0.00 0.00 34.50 31.42 2vg3 s PRO 47 CO 0.00 -0.53 0.64 0.00 0.04 0.00 0.00 177.00 177.15 2vg3 s ARG 49 N -2.28 4.13 0.67 0.00 3.52 -1.26 -4.57 118.95 119.17 2vg3 s ARG 49 Ca 0.44 2.56 -0.16 0.00 -0.13 0.00 0.00 55.73 58.43 2vg3 s ARG 49 Cb -0.14 -3.04 0.01 0.00 -1.56 0.00 0.00 34.95 30.22 2vg3 s ARG 49 CO 0.20 -0.63 1.18 -1.25 -0.81 0.00 0.00 175.30 173.98 2vg3 s PRO 50 N -0.20 2.53 0.58 5.12 0.04 -1.26 -4.95 135.00 136.86 2vg3 s PRO 50 Ca 0.65 1.69 -0.20 0.00 0.04 0.00 0.00 61.00 63.18 2vg3 s PRO 50 Cb -0.48 -1.89 -0.03 0.00 0.04 0.00 0.00 34.50 32.14 2vg3 s PRO 50 CO 0.45 -1.52 1.31 -1.25 0.04 0.00 0.00 177.00 176.03 2vg3 s PRO 51 N -3.79 2.94 0.78 0.56 0.04 -1.26 -4.98 135.00 129.29 2vg3 s PRO 51 Ca 0.73 2.12 -0.12 0.00 0.04 0.00 0.00 61.00 63.77 2vg3 s PRO 51 Cb -0.27 -2.08 0.06 0.00 0.04 0.00 0.00 34.50 32.24 2vg3 s PRO 51 CO 0.41 -1.31 1.11 1.14 0.04 0.00 0.00 177.00 178.39 2vg3 s GLN 52 N -3.11 2.24 0.66 4.56 -2.07 -0.49 -4.67 119.66 116.79 2vg3 s GLN 52 Ca 0.76 0.49 -0.17 0.00 -1.82 0.00 0.00 55.36 54.62 2vg3 s GLN 52 Cb -0.38 -1.95 0.00 0.00 -1.09 0.00 0.00 33.01 29.59 2vg3 s GLN 52 CO 0.43 -1.48 1.19 -1.58 -1.32 0.00 0.00 175.29 172.53 2vg3 s HIS 53 N -3.28 2.27 0.34 9.60 5.65 -1.26 -0.51 115.29 128.10 2vg3 s HIS 53 Ca 0.60 1.56 0.14 0.00 0.25 0.00 0.00 55.06 57.61 2vg3 s HIS 53 Cb -0.13 -3.43 1.03 0.00 -1.18 0.00 0.00 32.58 28.86 2vg3 s HIS 53 CO 0.53 -2.32 1.70 1.15 -0.65 0.00 0.00 174.74 175.14 2vg3 h THR 54 N 0.24 0.40 0.00 0.89 2.02 -1.76 0.17 112.91 114.87 2vg3 h THR 54 Ca -0.49 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 66.55 2vg3 h THR 54 Cb 1.29 -0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.65 2vg3 h THR 54 CO 0.53 0.08 0.00 -1.54 0.37 0.00 0.00 175.52 174.95 2vg3 n SER 55 N -4.93 0.56 -1.65 4.18 3.41 -1.26 -4.90 113.62 109.03 2vg3 n SER 55 Ca 0.30 0.62 -0.18 0.00 -0.26 0.00 0.00 58.87 59.34 2vg3 n SER 55 Cb 0.90 -0.75 -0.06 0.00 -0.26 0.00 0.00 64.21 64.05 2vg3 n SER 55 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2vg3 n LYS 56 N -2.10 -1.35 -1.71 4.33 5.02 0.60 -4.99 118.16 117.96 2vg3 n LYS 56 Ca 0.03 1.07 -0.34 0.00 -2.02 0.00 0.00 58.31 57.05 2vg3 n LYS 56 Cb 0.26 -5.43 0.06 0.00 -0.02 0.00 0.00 35.03 29.89 2vg3 n LYS 56 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2vg3 s ALA 57 N -2.76 2.38 0.06 7.82 0.00 -1.26 -4.95 121.76 123.05 2vg3 s ALA 57 Ca 0.00 0.68 0.05 0.00 0.00 0.00 0.00 51.96 52.70 2vg3 s ALA 57 Cb 0.00 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.71 2vg3 s ALA 57 CO 0.00 -1.41 -0.08 0.00 0.00 0.00 0.00 175.76 174.27 2vg3 s ALA 58 N -2.16 2.99 0.41 0.00 0.00 -1.26 -4.58 121.76 117.15 2vg3 s ALA 58 Ca 0.70 -1.13 -0.27 0.00 0.00 0.00 0.00 51.96 51.26 2vg3 s ALA 58 Cb -0.24 -1.01 -0.10 0.00 0.00 0.00 0.00 23.12 21.77 2vg3 s ALA 58 CO 0.41 0.63 1.44 0.00 0.00 0.00 0.00 175.76 178.24 2vg3 n ALA 59 N 1.10 2.10 -1.68 0.00 0.00 -1.26 -4.95 120.51 115.82 2vg3 n ALA 59 Ca -0.14 0.30 -0.35 0.00 0.00 0.00 0.00 53.44 53.25 2vg3 n ALA 59 Cb 0.52 -2.39 0.02 0.00 0.00 0.00 0.00 19.45 17.60 2vg3 n ALA 59 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2vg3 s PRO 60 N -2.23 3.13 -0.44 0.00 0.04 -1.26 -4.95 135.00 129.28 2vg3 s PRO 60 Ca 0.57 1.57 -0.26 0.00 0.04 0.00 0.00 61.00 62.92 2vg3 s PRO 60 Cb -0.47 -1.98 0.03 0.00 0.04 0.00 0.00 34.50 32.11 2vg3 s PRO 60 CO 0.61 -1.02 0.96 1.03 0.04 0.00 0.00 177.00 178.62 2vg3 s ARG 61 N -3.54 3.63 -0.07 4.56 0.52 -1.26 -4.93 118.95 117.86 2vg3 s ARG 61 Ca 0.72 0.32 -0.00 0.00 -0.52 0.00 0.00 55.73 56.25 2vg3 s ARG 61 Cb -0.24 -3.90 0.02 0.00 0.52 0.00 0.00 34.95 31.36 2vg3 s ARG 61 CO 0.32 -1.19 -0.04 0.42 0.02 0.00 0.00 175.30 174.83 2vg3 s ILE 62 N 3.82 0.59 0.43 1.52 1.01 -1.26 -5.12 121.20 122.19 2vg3 s ILE 62 Ca 0.39 -0.07 -0.25 0.00 0.00 0.00 0.00 60.65 60.72 2vg3 s ILE 62 Cb -0.10 -0.66 -0.10 0.00 0.01 0.00 0.00 42.46 41.61 2vg3 s ILE 62 CO 0.26 0.27 1.15 -2.65 0.00 0.00 0.00 174.94 173.97 2vg3 n PRO 63 N 4.64 1.64 -0.11 2.79 -0.02 -1.26 -4.38 135.00 138.29 2vg3 n PRO 63 Ca -0.15 0.59 0.09 0.00 -2.02 0.00 0.00 63.50 62.00 2vg3 n PRO 63 Cb 0.50 -2.23 0.43 0.00 -0.02 0.00 0.00 33.50 32.18 2vg3 n PRO 63 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2vg3 h ALA 64 N 1.79 1.84 0.00 3.55 0.00 -1.97 -1.51 119.26 122.97 2vg3 h ALA 64 Ca -0.46 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2vg3 h ALA 64 Cb 1.32 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2vg3 h ALA 64 CO 0.58 0.05 0.00 0.38 0.00 0.00 0.00 179.25 180.26 2vg3 h ASP 65 N 0.57 0.00 -0.00 0.00 2.03 -2.02 -3.22 116.42 113.78 2vg3 h ASP 65 Ca 0.27 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.57 2vg3 h ASP 65 Cb 0.34 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.84 2vg3 h ASP 65 CO -0.08 0.00 -0.68 0.54 -1.03 0.00 0.00 179.24 177.98 2vg3 n ARG 66 N -2.52 1.60 -1.55 4.15 1.74 -0.60 -4.97 116.66 114.50 2vg3 n ARG 66 Ca 0.03 -0.18 -0.33 0.00 -0.77 0.00 0.00 57.85 56.60 2vg3 n ARG 66 Cb 0.33 -1.28 0.07 0.00 -1.02 0.00 0.00 32.46 30.56 2vg3 n ARG 66 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2vg3 s LEU 67 N -2.63 3.30 0.16 0.55 1.43 -1.03 -4.25 118.68 116.21 2vg3 s LEU 67 Ca 0.08 2.08 -0.30 0.00 -1.03 0.00 0.00 54.13 54.96 2vg3 s LEU 67 Cb 0.13 -4.56 -0.08 0.00 0.03 0.00 0.00 46.19 41.71 2vg3 s LEU 67 CO 0.62 -1.93 1.32 -2.16 0.23 0.00 0.00 176.35 174.44 2vg3 s PRO 68 N -4.17 4.37 0.17 1.29 0.04 -1.26 -4.92 135.00 130.52 2vg3 s PRO 68 Ca 0.68 2.03 -0.07 0.00 0.04 0.00 0.00 61.00 63.68 2vg3 s PRO 68 Cb -0.22 -3.23 0.04 0.00 0.04 0.00 0.00 34.50 31.13 2vg3 s PRO 68 CO 0.45 -0.31 1.50 -0.97 0.04 0.00 0.00 177.00 177.71 2vg3 h ASN 69 N 5.97 0.84 -3.25 6.66 -1.24 -1.92 -3.43 115.58 119.21 2vg3 h ASN 69 Ca -0.44 -0.40 -0.45 0.00 0.71 0.00 0.00 56.30 55.73 2vg3 h ASN 69 Cb 1.21 -0.24 -0.38 0.00 0.73 0.00 0.00 38.32 39.65 2vg3 h ASN 69 CO 0.81 1.15 -0.77 -2.28 -1.29 0.00 0.00 177.43 175.05 2vg3 s HIS 70 N -4.26 0.80 -0.14 0.67 2.46 -1.26 -1.57 115.29 111.99 2vg3 s HIS 70 Ca -0.09 -0.26 -0.02 0.00 0.47 0.00 0.00 55.06 55.16 2vg3 s HIS 70 Cb 0.11 -0.87 -0.02 0.00 -0.13 0.00 0.00 32.58 31.68 2vg3 s HIS 70 CO 0.86 -0.35 -0.08 0.08 -2.47 0.00 0.00 174.74 172.77 2vg3 s VAL 71 N 1.91 3.47 -0.13 0.89 1.01 -0.39 -0.87 120.40 126.29 2vg3 s VAL 71 Ca 0.05 -0.51 -0.01 0.00 0.00 0.00 0.00 61.98 61.51 2vg3 s VAL 71 Cb -0.12 -2.49 -0.02 0.00 0.00 0.00 0.00 36.38 33.75 2vg3 s VAL 71 CO -0.06 0.52 -0.11 0.00 0.00 0.00 0.00 175.10 175.45 2vg3 s ALA 72 N 0.26 2.71 -0.15 5.51 0.00 -0.14 -1.23 121.76 128.72 2vg3 s ALA 72 Ca -0.06 -0.88 0.01 0.00 0.00 0.00 0.00 51.96 51.03 2vg3 s ALA 72 Cb -0.15 -1.27 0.00 0.00 0.00 0.00 0.00 23.12 21.70 2vg3 s ALA 72 CO 0.04 0.27 -0.18 0.42 0.00 0.00 0.00 175.76 176.31 2vg3 s ILE 73 N 0.26 2.41 -0.50 0.00 1.01 0.46 -0.30 121.20 124.55 2vg3 s ILE 73 Ca -0.08 -0.86 -0.19 0.00 0.00 0.00 0.00 60.65 59.53 2vg3 s ILE 73 Cb -0.15 -2.00 0.06 0.00 0.01 0.00 0.00 42.46 40.38 2vg3 s ILE 73 CO 0.05 0.53 0.58 -0.69 0.00 0.00 0.00 174.94 175.41 2vg3 s VAL 74 N 0.81 4.94 -0.19 2.92 1.01 0.35 -2.03 120.40 128.20 2vg3 s VAL 74 Ca -0.06 -0.56 -0.29 0.00 0.00 0.00 0.00 61.98 61.07 2vg3 s VAL 74 Cb -0.15 -4.26 -0.00 0.00 0.00 0.00 0.00 36.38 31.96 2vg3 s VAL 74 CO -0.01 -0.75 1.11 -0.04 0.00 0.00 0.00 175.10 175.41 2vg3 s MET 75 N 2.47 4.27 0.01 2.72 1.00 -1.26 -2.78 119.30 125.74 2vg3 s MET 75 Ca 0.13 1.46 -0.13 0.00 0.00 0.00 0.00 55.69 57.16 2vg3 s MET 75 Cb -0.20 -3.66 0.02 0.00 0.00 0.00 0.00 34.83 30.99 2vg3 s MET 75 CO 0.11 -0.61 0.27 0.34 0.00 0.00 0.00 175.02 175.14 2vg3 s ASP 76 N 1.42 -0.12 0.00 3.03 2.15 -1.26 -4.92 116.67 116.97 2vg3 s ASP 76 Ca 0.48 -0.10 0.00 0.00 0.43 0.00 0.00 52.55 53.36 2vg3 s ASP 76 Cb -0.18 0.31 0.00 0.00 -0.30 0.00 0.00 42.92 42.76 2vg3 s ASP 76 CO 0.10 -0.51 0.00 0.61 -0.17 0.00 0.00 175.17 175.20 2vg3 n GLY 77 N 0.98 0.73 0.31 2.66 0.00 -1.26 -1.41 105.19 107.20 2vg3 n GLY 77 Ca -0.20 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.83 2vg3 n GLY 77 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2vg3 h ASN 78 N 0.00 0.74 -0.09 1.61 2.35 -1.91 -0.92 115.58 117.36 2vg3 h ASN 78 Ca 0.00 0.03 -0.05 0.00 -0.55 0.00 0.00 56.30 55.73 2vg3 h ASN 78 Cb 0.00 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.25 2vg3 h ASN 78 CO 0.00 0.45 -0.16 1.23 -1.65 0.00 0.00 177.43 177.30 2vg3 h GLY 79 N 0.86 0.29 0.89 2.83 0.00 -1.91 -2.39 103.07 103.64 2vg3 h GLY 79 Ca 0.38 -0.33 0.04 0.00 0.00 0.00 0.00 47.33 47.41 2vg3 h GLY 79 CO -0.21 0.30 0.64 3.21 0.00 0.00 0.00 176.54 180.48 2vg3 h ARG 80 N -0.19 1.19 -0.50 4.80 3.08 -1.94 -0.78 114.38 120.03 2vg3 h ARG 80 Ca 0.00 -0.07 0.01 0.00 0.07 0.00 0.00 59.98 59.99 2vg3 h ARG 80 Cb 0.74 -0.27 -0.03 0.00 0.08 0.00 0.00 29.97 30.49 2vg3 h ARG 80 CO 0.04 0.79 0.32 2.35 -1.07 0.00 0.00 179.97 182.40 2vg3 h TRP 81 N 1.23 0.61 -0.00 3.04 7.01 -1.05 -0.69 115.95 126.10 2vg3 h TRP 81 Ca 0.39 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.41 2vg3 h TRP 81 Cb 0.02 -0.20 -0.00 0.00 -2.10 0.00 0.00 29.16 26.88 2vg3 h TRP 81 CO -0.00 0.38 0.00 0.00 -2.79 0.00 0.00 178.44 176.03 2vg3 h ALA 82 N 1.20 0.00 -0.83 2.65 0.00 -0.99 -3.18 119.26 118.12 2vg3 h ALA 82 Ca 0.19 -0.15 0.12 0.00 0.00 0.00 0.00 54.91 55.07 2vg3 h ALA 82 Cb -0.05 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.66 2vg3 h ALA 82 CO -0.06 -0.35 0.45 1.15 0.00 0.00 0.00 179.25 180.45 2vg3 h THR 83 N -0.29 0.83 -0.97 0.00 2.02 -0.95 0.12 112.91 113.67 2vg3 h THR 83 Ca 0.00 -0.24 0.25 0.00 0.77 0.00 0.00 66.41 67.19 2vg3 h THR 83 Cb 0.30 0.06 -0.07 0.00 -1.74 0.00 0.00 68.15 66.70 2vg3 h THR 83 CO 0.00 0.13 0.65 1.56 0.37 0.00 0.00 175.52 178.23 2vg3 h GLN 84 N 0.71 0.28 -0.56 6.66 4.20 -1.10 -0.98 115.11 124.31 2vg3 h GLN 84 Ca 0.42 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 59.12 2vg3 h GLN 84 Cb 0.49 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.20 2vg3 h GLN 84 CO -0.30 0.18 0.00 0.54 -0.67 0.00 0.00 178.83 178.59 2vg3 n ARG 85 N -4.47 2.65 -1.80 1.46 1.74 0.32 -4.96 116.66 111.60 2vg3 n ARG 85 Ca 0.22 -2.41 -0.11 0.00 -0.77 0.00 0.00 57.85 54.78 2vg3 n ARG 85 Cb 0.86 -1.48 -0.02 0.00 -1.02 0.00 0.00 32.46 30.80 2vg3 n ARG 85 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2vg3 n GLY 86 N 1.34 0.50 3.82 -0.13 0.00 -0.37 -5.02 105.19 105.33 2vg3 n GLY 86 Ca 0.20 -0.48 -0.23 0.00 0.00 0.00 0.00 46.02 45.51 2vg3 n GLY 86 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2vg3 s LEU 87 N -2.80 3.83 0.55 0.99 1.43 -0.62 -4.98 118.68 117.08 2vg3 s LEU 87 Ca 0.00 -0.21 -0.21 0.00 -1.03 0.00 0.00 54.13 52.68 2vg3 s LEU 87 Cb 0.00 -2.38 -0.05 0.00 0.03 0.00 0.00 46.19 43.79 2vg3 s LEU 87 CO 0.00 -0.01 1.24 0.00 0.23 0.00 0.00 176.35 177.80 2vg3 s ALA 88 N -2.04 2.73 0.34 4.21 0.00 -1.26 -3.84 121.76 121.91 2vg3 s ALA 88 Ca 0.32 1.08 0.08 0.00 0.00 0.00 0.00 51.96 53.45 2vg3 s ALA 88 Cb -0.08 -3.47 0.80 0.00 0.00 0.00 0.00 23.12 20.37 2vg3 s ALA 88 CO 0.25 -1.09 1.84 0.00 0.00 0.00 0.00 175.76 176.76 2vg3 h ARG 89 N 1.34 0.69 0.00 0.00 3.08 -1.93 -0.11 114.38 117.46 2vg3 h ARG 89 Ca -0.50 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 59.50 2vg3 h ARG 89 Cb 1.29 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 31.18 2vg3 h ARG 89 CO 0.57 0.46 -0.01 1.79 -1.07 0.00 0.00 179.97 181.71 2vg3 h THR 90 N 0.71 0.11 -0.12 2.04 1.35 -1.93 -1.25 112.91 113.83 2vg3 h THR 90 Ca 0.49 -0.15 -0.14 0.00 -0.55 0.00 0.00 66.41 66.06 2vg3 h THR 90 Cb 0.80 1.13 -0.01 0.00 -1.73 0.00 0.00 68.15 68.33 2vg3 h THR 90 CO -0.25 0.01 -0.54 -0.33 -0.25 0.00 0.00 175.52 174.16 2vg3 h GLU 91 N 0.00 0.34 -0.60 4.72 4.39 -1.37 -1.30 114.58 120.76 2vg3 h GLU 91 Ca -0.00 -0.21 -0.06 0.00 0.34 0.00 0.00 59.36 59.43 2vg3 h GLU 91 Cb 0.13 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.77 2vg3 h GLU 91 CO 0.00 0.80 0.14 0.78 -1.16 0.00 0.00 179.01 179.57 2vg3 h GLY 92 N 1.29 1.05 0.96 -3.84 0.00 -1.32 -2.86 103.07 98.35 2vg3 h GLY 92 Ca 0.00 -0.67 -0.01 0.00 0.00 0.00 0.00 47.33 46.65 2vg3 h GLY 92 CO 0.09 0.62 0.22 0.45 0.00 0.00 0.00 176.54 177.92 2vg3 h HIS 93 N 0.89 0.60 -0.95 5.60 3.86 -1.10 -2.45 115.15 121.60 2vg3 h HIS 93 Ca 0.19 -0.02 0.17 0.00 -1.16 0.00 0.00 60.37 59.55 2vg3 h HIS 93 Cb 0.37 -0.19 -0.10 0.00 1.06 0.00 0.00 27.41 28.55 2vg3 h HIS 93 CO 0.03 0.48 0.55 0.87 0.86 0.00 0.00 177.93 180.71 2vg3 h LYS 94 N 0.55 0.70 0.00 2.45 1.57 -1.19 -0.58 116.57 120.07 2vg3 h LYS 94 Ca 0.15 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.87 2vg3 h LYS 94 Cb 0.09 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.24 2vg3 h LYS 94 CO -0.02 0.47 -0.10 0.52 -0.57 0.00 0.00 179.45 179.75 2vg3 h MET 95 N 0.72 0.00 0.00 3.15 2.86 -1.21 -2.96 114.93 117.50 2vg3 h MET 95 Ca 0.54 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 58.14 2vg3 h MET 95 Cb 0.79 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.45 2vg3 h MET 95 CO -0.37 0.10 -0.17 0.78 1.06 0.00 0.00 176.91 178.30 2vg3 h GLY 96 N 1.67 0.00 0.85 8.32 0.00 -0.90 -3.21 103.07 109.80 2vg3 h GLY 96 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2vg3 h GLY 96 CO 0.01 0.00 -0.11 -2.09 0.00 0.00 0.00 176.54 174.35 2vg3 h GLU 97 N 0.00 -0.24 -1.00 4.80 4.81 -1.58 -1.70 114.58 119.67 2vg3 h GLU 97 Ca -0.00 0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.30 2vg3 h GLU 97 Cb 0.55 0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.92 2vg3 h GLU 97 CO 0.02 -0.16 0.65 0.00 -0.73 0.00 0.00 179.01 178.79 2vg3 h ALA 98 N 0.62 1.39 -0.50 2.92 0.00 -1.76 -2.52 119.26 119.41 2vg3 h ALA 98 Ca 0.01 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 2vg3 h ALA 98 Cb 0.24 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2vg3 h ALA 98 CO -0.04 0.48 0.02 0.28 0.00 0.00 0.00 179.25 179.99 2vg3 h VAL 99 N 1.20 1.26 -0.41 0.00 2.07 -1.56 0.39 116.25 119.21 2vg3 h VAL 99 Ca 0.42 -1.06 0.08 0.00 0.82 0.00 0.00 66.70 66.96 2vg3 h VAL 99 Cb 0.11 0.95 -0.08 0.00 -1.52 0.00 0.00 31.29 30.75 2vg3 h VAL 99 CO -0.15 0.37 -0.08 0.58 0.02 0.00 0.00 177.57 178.31 2vg3 h VAL 100 N 0.75 0.61 -0.12 2.57 2.07 -0.98 0.27 116.25 121.41 2vg3 h VAL 100 Ca 0.14 -0.01 -0.18 0.00 0.82 0.00 0.00 66.70 67.48 2vg3 h VAL 100 Cb 0.50 0.58 -0.00 0.00 -1.52 0.00 0.00 31.29 30.85 2vg3 h VAL 100 CO 0.02 0.00 -0.65 0.40 0.02 0.00 0.00 177.57 177.36 2vg3 h ILE 101 N 0.02 1.35 -0.50 4.57 1.08 -1.09 -1.02 117.51 121.92 2vg3 h ILE 101 Ca 0.20 -1.98 -0.02 0.00 -0.39 0.00 0.00 64.86 62.67 2vg3 h ILE 101 Cb 0.30 1.96 -0.02 0.00 -3.07 0.00 0.00 36.82 35.99 2vg3 h ILE 101 CO -0.40 0.60 0.23 -0.78 -0.69 0.00 0.00 178.15 177.11 2vg3 h ASP 102 N 0.35 0.66 -0.51 1.72 3.58 -0.67 0.01 116.42 121.56 2vg3 h ASP 102 Ca -0.02 -0.14 -0.09 0.00 0.42 0.00 0.00 57.03 57.21 2vg3 h ASP 102 Cb 1.22 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 42.07 2vg3 h ASP 102 CO 0.12 0.61 -0.03 0.40 -2.88 0.00 0.00 179.24 177.46 2vg3 h ILE 103 N 0.66 1.26 -0.16 2.25 5.03 -0.76 -0.04 117.51 125.75 2vg3 h ILE 103 Ca 0.17 -1.14 0.03 0.00 -0.12 0.00 0.00 64.86 63.81 2vg3 h ILE 103 Cb 0.13 0.86 -0.03 0.00 -3.03 0.00 0.00 36.82 34.75 2vg3 h ILE 103 CO -0.02 0.41 -0.04 0.00 -0.68 0.00 0.00 178.15 177.81 2vg3 h ALA 104 N 1.08 0.11 -0.37 1.87 0.00 -0.87 0.30 119.26 121.37 2vg3 h ALA 104 Ca 0.16 0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.18 2vg3 h ALA 104 Cb 0.55 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.42 2vg3 h ALA 104 CO 0.03 -0.48 0.09 0.00 0.00 0.00 0.00 179.25 178.88 2vg3 h GLY 106 N 0.22 0.76 1.05 0.00 0.00 -0.71 -1.78 103.07 102.61 2vg3 h GLY 106 Ca 0.17 -0.57 -0.07 0.00 0.00 0.00 0.00 47.33 46.86 2vg3 h GLY 106 CO -0.22 0.53 0.12 0.00 0.00 0.00 0.00 176.54 176.97 2vg3 h ALA 107 N 1.22 0.86 -0.52 3.60 0.00 -0.14 -1.29 119.26 122.99 2vg3 h ALA 107 Ca 0.11 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2vg3 h ALA 107 Cb 0.59 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2vg3 h ALA 107 CO 0.04 0.62 0.28 0.82 0.00 0.00 0.00 179.25 181.00 2vg3 h ILE 108 N 0.99 1.18 -0.24 0.00 2.04 -1.11 -0.68 117.51 119.69 2vg3 h ILE 108 Ca 0.20 -0.49 -0.05 0.00 1.00 0.00 0.00 64.86 65.52 2vg3 h ILE 108 Cb 0.42 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 2vg3 h ILE 108 CO 0.01 0.20 -0.06 -0.33 0.00 0.00 0.00 178.15 177.97 2vg3 h GLU 109 N 0.70 0.37 0.00 2.37 5.08 -1.02 -2.62 114.58 119.45 2vg3 h GLU 109 Ca 0.18 -0.08 -0.06 0.00 -1.00 0.00 0.00 59.36 58.40 2vg3 h GLU 109 Cb 0.07 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 2vg3 h GLU 109 CO -0.03 0.45 -0.37 1.25 -1.00 0.00 0.00 179.01 179.31 2vg3 h LEU 110 N 0.35 0.00 0.00 1.33 5.85 -0.99 -1.39 115.31 120.47 2vg3 h LEU 110 Ca 0.08 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.80 2vg3 h LEU 110 Cb 0.34 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.37 2vg3 h LEU 110 CO 0.02 0.30 0.00 0.61 -0.34 0.00 0.00 178.44 179.02 2vg3 n GLY 111 N 1.18 0.84 3.74 3.75 0.00 -0.36 -4.22 105.19 110.12 2vg3 n GLY 111 Ca 0.02 -0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 2vg3 n GLY 111 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2vg3 s ILE 112 N -2.00 2.54 -0.10 -0.61 1.01 -0.64 -4.95 121.20 116.44 2vg3 s ILE 112 Ca 0.00 0.43 0.16 0.00 0.00 0.00 0.00 60.65 61.24 2vg3 s ILE 112 Cb 0.00 -3.28 -0.20 0.00 0.01 0.00 0.00 42.46 38.99 2vg3 s ILE 112 CO 0.00 0.06 0.61 0.29 0.00 0.00 0.00 174.94 175.90 2vg3 n LYS 113 N 2.75 0.64 -4.00 2.79 4.76 -1.23 -4.66 118.16 119.20 2vg3 n LYS 113 Ca 0.09 0.19 -0.18 0.00 -2.87 0.00 0.00 58.31 55.54 2vg3 n LYS 113 Cb 0.39 -1.74 -0.16 0.00 -1.84 0.00 0.00 35.03 31.68 2vg3 n LYS 113 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 2vg3 s TRP 114 N -2.76 0.43 -0.05 2.13 0.52 -0.61 -1.09 118.94 117.51 2vg3 s TRP 114 Ca -0.05 -0.06 -0.01 0.00 0.02 0.00 0.00 56.10 56.00 2vg3 s TRP 114 Cb 0.08 -0.47 0.03 0.00 -1.15 0.00 0.00 33.47 31.96 2vg3 s TRP 114 CO 0.82 -0.14 0.01 -1.17 0.02 0.00 0.00 176.95 176.50 2vg3 s LEU 115 N 0.94 0.64 -0.17 2.99 2.96 -0.38 -1.27 118.68 124.39 2vg3 s LEU 115 Ca -0.10 -0.04 -0.03 0.00 -0.22 0.00 0.00 54.13 53.74 2vg3 s LEU 115 Cb -0.14 -0.33 -0.02 0.00 0.50 0.00 0.00 46.19 46.21 2vg3 s LEU 115 CO -0.01 -0.18 -0.06 -0.44 -1.32 0.00 0.00 176.35 174.34 2vg3 s SER 116 N 1.77 4.49 -0.10 3.68 0.01 -0.37 -0.79 113.70 122.40 2vg3 s SER 116 Ca 0.01 -0.25 0.03 0.00 1.31 0.00 0.00 55.95 57.05 2vg3 s SER 116 Cb -0.13 -1.74 -0.01 0.00 0.21 0.00 0.00 66.02 64.36 2vg3 s SER 116 CO -0.04 0.11 -0.20 -0.76 0.41 0.00 0.00 173.24 172.76 2vg3 s LEU 117 N 0.73 2.32 -0.98 2.44 1.43 -0.40 -0.40 118.68 123.82 2vg3 s LEU 117 Ca -0.03 -0.47 -0.17 0.00 -1.03 0.00 0.00 54.13 52.43 2vg3 s LEU 117 Cb -0.15 -1.48 0.14 0.00 0.03 0.00 0.00 46.19 44.74 2vg3 s LEU 117 CO 0.02 0.18 1.16 -0.47 0.23 0.00 0.00 176.35 177.47 2vg3 s TYR 118 N 0.26 3.24 0.08 0.29 6.04 -0.86 -1.54 117.35 124.85 2vg3 s TYR 118 Ca -0.14 -1.58 0.04 0.00 0.04 0.00 0.00 57.07 55.44 2vg3 s TYR 118 Cb -0.17 -4.26 -0.23 0.00 -1.04 0.00 0.00 41.96 36.26 2vg3 s TYR 118 CO 0.07 -1.44 1.13 0.00 -1.54 0.00 0.00 175.55 173.77 2vg3 h ALA 119 N 8.44 0.35 -1.73 3.97 0.00 -1.16 -3.40 119.26 125.73 2vg3 h ALA 119 Ca 0.18 -1.00 0.07 0.00 0.00 0.00 0.00 54.91 54.17 2vg3 h ALA 119 Cb 1.00 0.01 -0.25 0.00 0.00 0.00 0.00 17.79 18.55 2vg3 h ALA 119 CO 1.11 1.23 0.23 0.12 0.00 0.00 0.00 179.25 181.94 2vg3 s PHE 120 N -2.67 -0.78 0.26 0.00 5.36 -1.08 -4.96 117.98 114.10 2vg3 s PHE 120 Ca -0.02 1.56 0.06 0.00 -0.96 0.00 0.00 56.93 57.57 2vg3 s PHE 120 Cb 0.09 0.47 -0.03 0.00 -0.34 0.00 0.00 43.02 43.21 2vg3 s PHE 120 CO 0.84 -0.39 0.33 -1.54 -1.46 0.00 0.00 175.22 173.00 2vg3 s SER 121 N 1.47 6.01 0.62 6.13 1.04 -1.26 -0.02 113.70 127.70 2vg3 s SER 121 Ca -0.09 -0.08 0.37 0.00 0.48 0.00 0.00 55.95 56.63 2vg3 s SER 121 Cb -0.04 -1.62 2.00 0.00 0.10 0.00 0.00 66.02 66.47 2vg3 s SER 121 CO -0.17 -0.12 2.12 0.71 0.98 0.00 0.00 173.24 176.76 2vg3 h THR 122 N 1.23 0.00 -0.00 2.02 1.35 -1.54 -0.20 112.91 115.77 2vg3 h THR 122 Ca -0.50 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 2vg3 h THR 122 Cb 1.24 0.82 0.00 0.00 -1.73 0.00 0.00 68.15 68.47 2vg3 h THR 122 CO 0.60 0.00 -0.73 -0.62 -0.25 0.00 0.00 175.52 174.52 2vg3 n GLU 123 N -2.89 0.03 0.00 4.72 4.71 -1.26 -4.25 120.64 121.70 2vg3 n GLU 123 Ca -0.02 -0.02 0.08 0.00 -0.01 0.00 0.00 57.16 57.19 2vg3 n GLU 123 Cb 0.17 -1.50 0.40 0.00 -1.01 0.00 0.00 31.44 29.50 2vg3 n GLU 123 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 2vg3 n ASN 124 N -1.47 0.00 0.19 1.62 5.03 -0.09 -2.50 115.26 118.05 2vg3 n ASN 124 Ca 0.05 0.32 0.14 0.00 0.87 0.00 0.00 54.58 55.96 2vg3 n ASN 124 Cb 0.33 -0.42 0.68 0.00 -1.02 0.00 0.00 39.78 39.36 2vg3 n ASN 124 CO 0.00 0.00 0.00 -0.50 -1.83 0.00 0.00 177.26 174.93 2vg3 h TRP 125 N 0.00 0.00 0.00 3.10 4.06 -1.74 -2.37 115.95 119.00 2vg3 h TRP 125 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 2vg3 h TRP 125 Cb 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.41 2vg3 h TRP 125 CO 0.00 0.00 0.00 1.63 -3.56 0.00 0.00 178.44 176.51 2vg3 n LYS 126 N -2.47 0.12 -1.48 0.49 5.02 -1.04 -4.81 118.16 113.98 2vg3 n LYS 126 Ca -0.01 0.31 -0.29 0.00 -2.02 0.00 0.00 58.31 56.31 2vg3 n LYS 126 Cb 0.12 -1.71 0.15 0.00 -0.02 0.00 0.00 35.03 33.58 2vg3 n LYS 126 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2vg3 s ARG 127 N -3.16 0.80 0.68 1.97 0.52 -0.89 -5.00 118.95 113.86 2vg3 s ARG 127 Ca 0.07 0.23 -0.17 0.00 -0.52 0.00 0.00 55.73 55.34 2vg3 s ARG 127 Cb 0.10 -1.80 0.01 0.00 0.52 0.00 0.00 34.95 33.77 2vg3 s ARG 127 CO 0.38 -2.42 1.28 -1.54 0.02 0.00 0.00 175.30 173.01 2vg3 s SER 128 N -4.01 4.42 0.34 0.23 1.04 -1.26 -4.77 113.70 109.69 2vg3 s SER 128 Ca 0.65 2.57 0.07 0.00 0.48 0.00 0.00 55.95 59.72 2vg3 s SER 128 Cb -0.14 -2.61 0.74 0.00 0.10 0.00 0.00 66.02 64.11 2vg3 s SER 128 CO 0.54 -2.13 1.89 -0.65 0.98 0.00 0.00 173.24 173.87 2vg3 h PRO 129 N 0.28 0.75 -0.44 4.02 0.11 -1.94 -1.38 132.00 133.40 2vg3 h PRO 129 Ca -0.50 -0.05 -0.14 0.00 0.11 0.00 0.00 66.00 65.42 2vg3 h PRO 129 Cb 1.33 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 2vg3 h PRO 129 CO 0.52 0.50 -0.28 0.93 -0.21 0.00 0.00 178.00 179.45 2vg3 h GLU 130 N 0.78 0.97 -0.27 1.05 3.07 -1.99 -0.01 114.58 118.17 2vg3 h GLU 130 Ca 0.42 -0.45 -0.17 0.00 -0.50 0.00 0.00 59.36 58.66 2vg3 h GLU 130 Cb 0.54 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.44 2vg3 h GLU 130 CO -0.18 1.12 -0.50 1.49 -1.40 0.00 0.00 179.01 179.54 2vg3 h GLU 131 N 0.82 0.82 -0.13 2.33 4.81 -1.82 -1.85 114.58 119.55 2vg3 h GLU 131 Ca 0.09 -0.51 -0.01 0.00 -0.13 0.00 0.00 59.36 58.80 2vg3 h GLU 131 Cb 0.87 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.30 2vg3 h GLU 131 CO 0.08 1.15 0.05 0.28 -0.73 0.00 0.00 179.01 179.84 2vg3 h VAL 132 N 0.58 1.14 -0.38 0.32 2.07 -1.18 -0.43 116.25 118.37 2vg3 h VAL 132 Ca 0.02 -0.42 0.07 0.00 0.82 0.00 0.00 66.70 67.18 2vg3 h VAL 132 Cb 1.10 1.19 -0.07 0.00 -1.52 0.00 0.00 31.29 31.99 2vg3 h VAL 132 CO 0.11 0.13 -0.03 -0.09 0.02 0.00 0.00 177.57 177.71 2vg3 h ARG 133 N 0.06 0.06 -0.01 1.57 2.43 -1.02 -0.69 114.38 116.78 2vg3 h ARG 133 Ca 0.04 -0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.23 2vg3 h ARG 133 Cb 0.16 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.66 2vg3 h ARG 133 CO -0.00 0.04 -0.15 0.35 -1.51 0.00 0.00 179.97 178.70 2vg3 h PHE 134 N 0.07 -0.39 -0.80 2.20 3.57 -1.20 -2.34 116.94 118.04 2vg3 h PHE 134 Ca 0.19 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.73 2vg3 h PHE 134 Cb 0.27 0.18 -0.04 0.00 2.79 0.00 0.00 35.95 39.14 2vg3 h PHE 134 CO -0.29 -0.22 0.53 -0.07 -2.23 0.00 0.00 178.31 176.03 2vg3 h LEU 135 N -0.25 0.87 0.32 0.59 3.38 -0.60 0.37 115.31 120.00 2vg3 h LEU 135 Ca 0.05 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 2vg3 h LEU 135 Cb 0.32 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2vg3 h LEU 135 CO -0.15 0.61 -0.16 0.24 0.09 0.00 0.00 178.44 179.07 2vg3 h MET 136 N 1.02 -0.42 -0.61 1.13 2.86 -1.02 -0.58 114.93 117.30 2vg3 h MET 136 Ca 0.31 0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.94 2vg3 h MET 136 Cb -0.01 0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.72 2vg3 h MET 136 CO -0.08 -0.16 0.24 0.78 1.06 0.00 0.00 176.91 178.74 2vg3 h GLY 137 N -0.63 0.96 0.94 8.32 0.00 -1.21 -1.96 103.07 109.49 2vg3 h GLY 137 Ca -0.04 -0.50 -0.01 0.00 0.00 0.00 0.00 47.33 46.78 2vg3 h GLY 137 CO 0.07 0.47 0.14 -2.75 0.00 0.00 0.00 176.54 174.47 2vg3 h PHE 138 N 0.88 0.40 -0.74 5.60 3.57 -0.18 0.02 116.94 126.49 2vg3 h PHE 138 Ca 0.21 -0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.63 2vg3 h PHE 138 Cb 0.18 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.77 2vg3 h PHE 138 CO 0.01 0.36 0.22 -0.91 -2.23 0.00 0.00 178.31 175.76 2vg3 h ASN 139 N 0.32 1.09 -0.05 0.41 2.35 -0.94 -0.09 115.58 118.67 2vg3 h ASN 139 Ca 0.10 -0.22 0.02 0.00 -0.55 0.00 0.00 56.30 55.65 2vg3 h ASN 139 Cb 0.10 -0.29 -0.02 0.00 0.05 0.00 0.00 38.32 38.16 2vg3 h ASN 139 CO -0.01 1.02 -0.08 -0.09 -1.65 0.00 0.00 177.43 176.61 2vg3 h ARG 140 N 1.10 -0.11 -0.13 0.81 2.43 -1.16 -2.33 114.38 114.99 2vg3 h ARG 140 Ca 0.24 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.40 2vg3 h ARG 140 Cb 0.33 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 2vg3 h ARG 140 CO -0.00 -0.07 0.02 -0.44 -1.51 0.00 0.00 179.97 177.96 2vg3 h ASP 141 N -0.12 0.21 -0.57 -3.80 3.32 -0.76 -2.62 116.42 112.09 2vg3 h ASP 141 Ca 0.05 -0.26 0.09 0.00 0.02 0.00 0.00 57.03 56.93 2vg3 h ASP 141 Cb 0.19 -0.06 -0.07 0.00 0.22 0.00 0.00 39.33 39.61 2vg3 h ASP 141 CO -0.12 0.42 0.17 0.58 -1.72 0.00 0.00 179.24 178.57 2vg3 h VAL 142 N -0.01 0.73 -0.21 -1.35 2.07 -0.97 0.33 116.25 116.84 2vg3 h VAL 142 Ca 0.04 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 2vg3 h VAL 142 Cb 0.30 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 2vg3 h VAL 142 CO 0.00 0.06 0.09 0.58 0.02 0.00 0.00 177.57 178.32 2vg3 h VAL 143 N 0.33 1.16 -0.33 2.57 2.07 -1.37 0.51 116.25 121.18 2vg3 h VAL 143 Ca 0.29 -0.47 0.01 0.00 0.82 0.00 0.00 66.70 67.35 2vg3 h VAL 143 Cb 0.38 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 2vg3 h VAL 143 CO -0.33 0.15 0.20 -0.09 0.02 0.00 0.00 177.57 177.52 2vg3 h ARG 144 N 0.19 0.39 -0.21 1.57 2.43 -1.05 -0.84 114.38 116.86 2vg3 h ARG 144 Ca 0.07 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.15 2vg3 h ARG 144 Cb 0.16 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 2vg3 h ARG 144 CO -0.01 0.26 -0.17 -0.09 -1.51 0.00 0.00 179.97 178.45 2vg3 h ARG 145 N 0.40 0.36 0.00 0.20 2.43 -0.07 -3.32 114.38 114.39 2vg3 h ARG 145 Ca 0.13 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 2vg3 h ARG 145 Cb -0.00 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.51 2vg3 h ARG 145 CO -0.06 0.53 -0.72 0.54 -1.51 0.00 0.00 179.97 178.75 2vg3 n ARG 146 N -4.20 2.10 -0.15 0.20 5.12 0.14 -4.62 116.66 115.24 2vg3 n ARG 146 Ca -0.00 -0.00 -0.03 0.00 -1.93 0.00 0.00 57.85 55.89 2vg3 n ARG 146 Cb 0.32 -1.20 0.05 0.00 -1.16 0.00 0.00 32.46 30.48 2vg3 n ARG 146 CO 0.00 0.00 0.00 -0.09 -1.93 0.00 0.00 177.63 175.61 2vg3 h ARG 147 N 0.00 0.08 -0.47 5.56 2.43 -1.25 -0.83 114.38 119.91 2vg3 h ARG 147 Ca 0.00 -0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 59.04 2vg3 h ARG 147 Cb 0.36 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 2vg3 h ARG 147 CO 0.00 0.06 -0.21 -0.44 -1.51 0.00 0.00 179.97 177.87 2vg3 h ASP 148 N 0.09 1.00 -0.06 -3.80 3.32 -1.82 -1.43 116.42 113.72 2vg3 h ASP 148 Ca 0.24 -0.39 -0.01 0.00 0.02 0.00 0.00 57.03 56.89 2vg3 h ASP 148 Cb 0.37 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.64 2vg3 h ASP 148 CO -0.43 1.17 0.01 0.74 -1.72 0.00 0.00 179.24 179.01 2vg3 h THR 149 N 0.82 1.21 -0.57 0.35 2.02 -1.78 -2.14 112.91 112.82 2vg3 h THR 149 Ca 0.11 -0.65 0.09 0.00 0.77 0.00 0.00 66.41 66.73 2vg3 h THR 149 Cb 0.78 1.54 -0.07 0.00 -1.74 0.00 0.00 68.15 68.67 2vg3 h THR 149 CO 0.06 0.18 0.20 -0.07 0.37 0.00 0.00 175.52 176.26 2vg3 h LEU 150 N -0.15 0.19 -0.57 2.58 3.38 -1.06 -1.35 115.31 118.33 2vg3 h LEU 150 Ca 0.02 0.07 0.07 0.00 0.09 0.00 0.00 57.88 58.13 2vg3 h LEU 150 Cb 0.28 0.06 -0.06 0.00 0.09 0.00 0.00 40.66 41.03 2vg3 h LEU 150 CO 0.00 0.12 0.25 0.50 0.09 0.00 0.00 178.44 179.40 2vg3 h LYS 151 N 0.38 0.44 0.00 1.13 3.64 -1.14 -1.60 116.57 119.42 2vg3 h LYS 151 Ca 0.28 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 2vg3 h LYS 151 Cb 0.34 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 2vg3 h LYS 151 CO -0.29 0.29 0.00 -0.22 -2.27 0.00 0.00 179.45 176.96 2vg3 h LYS 152 N 0.46 0.00 -0.01 1.90 3.64 -0.59 -2.21 116.57 119.76 2vg3 h LYS 152 Ca 0.27 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 2vg3 h LYS 152 Cb 0.27 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 2vg3 h LYS 152 CO -0.24 0.00 -0.15 1.28 -2.27 0.00 0.00 179.45 178.07 2vg3 n LEU 153 N -2.70 0.72 0.00 5.20 4.77 -0.75 -0.58 117.00 123.66 2vg3 n LEU 153 Ca 0.02 -0.12 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 2vg3 n LEU 153 Cb 0.33 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 2vg3 n LEU 153 CO 0.26 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 2vg3 n GLY 154 N 1.29 0.57 3.73 -0.72 0.00 -0.83 -4.65 105.19 104.58 2vg3 n GLY 154 Ca 0.14 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.33 2vg3 n GLY 154 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2vg3 s VAL 155 N -2.00 3.83 -0.34 1.61 1.01 -0.67 -1.56 120.40 122.28 2vg3 s VAL 155 Ca 0.00 1.43 -0.14 0.00 0.00 0.00 0.00 61.98 63.27 2vg3 s VAL 155 Cb 0.00 -3.91 -0.02 0.00 0.00 0.00 0.00 36.38 32.45 2vg3 s VAL 155 CO 0.00 0.18 0.32 -0.60 0.00 0.00 0.00 175.10 175.00 2vg3 s ARG 156 N 0.35 3.58 0.02 2.72 3.52 0.04 -4.39 118.95 124.79 2vg3 s ARG 156 Ca 0.55 -0.46 0.07 0.00 -0.13 0.00 0.00 55.73 55.76 2vg3 s ARG 156 Cb -0.31 -3.79 -0.02 0.00 -1.56 0.00 0.00 34.95 29.27 2vg3 s ARG 156 CO 0.33 -0.47 -0.21 -1.50 -0.81 0.00 0.00 175.30 172.63 2vg3 s ILE 157 N 1.92 1.70 0.16 4.11 2.07 -1.26 0.09 121.20 129.98 2vg3 s ILE 157 Ca 0.10 -1.09 -0.20 0.00 -1.41 0.00 0.00 60.65 58.05 2vg3 s ILE 157 Cb -0.17 -1.45 0.05 0.00 0.13 0.00 0.00 42.46 41.03 2vg3 s ILE 157 CO 0.11 0.32 0.52 0.00 -1.91 0.00 0.00 174.94 173.99 2vg3 s ARG 158 N -0.90 1.24 0.20 3.50 3.03 -1.04 -3.44 118.95 121.53 2vg3 s ARG 158 Ca 0.08 -0.63 -0.30 0.00 2.03 0.00 0.00 55.73 56.91 2vg3 s ARG 158 Cb -0.09 0.54 -0.08 0.00 -1.03 0.00 0.00 34.95 34.29 2vg3 s ARG 158 CO 0.01 -0.52 1.14 -0.46 -1.13 0.00 0.00 175.30 174.33 2vg3 s TRP 159 N -3.79 3.52 -0.12 5.89 -0.00 -1.26 -1.11 118.94 122.07 2vg3 s TRP 159 Ca 0.03 1.54 0.01 0.00 -0.00 0.00 0.00 56.10 57.68 2vg3 s TRP 159 Cb -0.00 -3.34 0.02 0.00 -0.00 0.00 0.00 33.47 30.14 2vg3 s TRP 159 CO -0.10 -0.85 -0.13 0.08 -0.00 0.00 0.00 176.95 175.94 2vg3 s VAL 160 N -0.29 1.39 -3.37 5.86 1.01 -0.89 -4.86 120.40 119.25 2vg3 s VAL 160 Ca 0.50 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.92 2vg3 s VAL 160 Cb -0.31 -1.30 0.00 0.00 0.00 0.00 0.00 36.38 34.77 2vg3 s VAL 160 CO 0.37 0.42 0.00 0.61 0.00 0.00 0.00 175.10 176.50 2vg3 n GLY 161 N 4.45 -2.13 3.83 4.51 0.00 -1.26 -1.58 105.19 113.01 2vg3 n GLY 161 Ca -0.18 -1.20 -0.36 0.00 0.00 0.00 0.00 46.02 44.29 2vg3 n GLY 161 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2vg3 s SER 162 N -0.86 6.10 0.02 1.61 0.01 0.44 -4.93 113.70 116.08 2vg3 s SER 162 Ca 0.00 0.37 -0.19 0.00 1.31 0.00 0.00 55.95 57.44 2vg3 s SER 162 Cb 0.00 -1.91 -0.24 0.00 0.21 0.00 0.00 66.02 64.09 2vg3 s SER 162 CO 0.00 0.38 1.11 -0.09 0.41 0.00 0.00 173.24 175.05 2vg3 h ARG 163 N 4.83 0.47 -6.55 12.44 2.43 -1.94 -3.41 114.38 122.65 2vg3 h ARG 163 Ca -0.53 -0.50 -0.56 0.00 -0.81 0.00 0.00 59.98 57.57 2vg3 h ARG 163 Cb 1.21 0.14 0.06 0.00 -0.42 0.00 0.00 29.97 30.96 2vg3 h ARG 163 CO 0.59 1.15 0.89 -2.30 -1.51 0.00 0.00 179.97 178.78 2vg3 n PRO 164 N -4.15 2.37 0.00 0.20 -0.02 -1.26 -2.63 135.00 129.52 2vg3 n PRO 164 Ca -0.11 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 2vg3 n PRO 164 Cb 0.72 -2.66 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 2vg3 n PRO 164 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 2vg3 n ARG 165 N 3.78 0.00 -1.72 -0.52 3.00 -1.26 -5.00 116.66 114.94 2vg3 n ARG 165 Ca 0.17 0.00 -0.43 0.00 -0.00 0.00 0.00 57.85 57.59 2vg3 n ARG 165 Cb 0.31 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.74 2vg3 n ARG 165 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 2vg3 n LEU 166 N 0.00 3.95 -4.68 6.15 7.94 -1.08 -4.89 117.00 124.39 2vg3 n LEU 166 Ca 0.00 1.10 -0.45 0.00 -1.11 0.00 0.00 56.01 55.55 2vg3 n LEU 166 Cb 0.00 -1.55 -0.04 0.00 0.53 0.00 0.00 43.42 42.36 2vg3 n LEU 166 CO 0.00 0.07 1.39 0.79 -1.11 0.00 0.00 177.39 178.52 2vg3 n TRP 167 N 3.13 2.43 -0.24 1.96 7.02 -1.26 -4.86 117.44 125.62 2vg3 n TRP 167 Ca 0.13 0.03 0.20 0.00 -1.02 0.00 0.00 57.50 56.84 2vg3 n TRP 167 Cb 0.34 -2.65 0.52 0.00 -2.42 0.00 0.00 31.31 27.10 2vg3 n TRP 167 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2vg3 h ARG 168 N 7.83 0.38 -0.33 -0.99 3.08 -1.94 -1.74 114.38 120.67 2vg3 h ARG 168 Ca -0.46 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 59.57 2vg3 h ARG 168 Cb 1.25 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 31.19 2vg3 h ARG 168 CO 0.93 0.25 0.22 0.66 -1.07 0.00 0.00 179.97 180.95 2vg3 h SER 169 N 0.39 0.35 -0.17 7.04 4.64 -1.99 0.25 113.55 124.06 2vg3 h SER 169 Ca 0.47 -0.01 -0.10 0.00 -0.47 0.00 0.00 61.79 61.69 2vg3 h SER 169 Cb 1.20 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 63.21 2vg3 h SER 169 CO -0.17 0.25 -0.28 0.58 -0.87 0.00 0.00 176.83 176.34 2vg3 h VAL 170 N 0.41 1.35 -0.26 0.95 2.07 -1.64 -2.10 116.25 117.03 2vg3 h VAL 170 Ca 0.12 -1.51 0.01 0.00 0.82 0.00 0.00 66.70 66.15 2vg3 h VAL 170 Cb 0.00 1.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.68 2vg3 h VAL 170 CO -0.03 0.45 0.15 0.40 0.02 0.00 0.00 177.57 178.56 2vg3 h ILE 171 N 0.12 1.02 -0.72 4.57 2.04 -1.29 -2.43 117.51 120.82 2vg3 h ILE 171 Ca 0.01 -0.11 0.03 0.00 1.00 0.00 0.00 64.86 65.80 2vg3 h ILE 171 Cb 0.86 0.69 -0.05 0.00 -0.74 0.00 0.00 36.82 37.58 2vg3 h ILE 171 CO 0.06 0.06 0.45 0.78 0.00 0.00 0.00 178.15 179.50 2vg3 h ASN 172 N 0.31 0.73 -0.44 1.72 2.35 -0.52 0.13 115.58 119.86 2vg3 h ASN 172 Ca 0.10 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.79 2vg3 h ASN 172 Cb 0.00 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.20 2vg3 h ASN 172 CO -0.05 0.50 0.01 -0.33 -1.65 0.00 0.00 177.43 175.91 2vg3 h GLU 173 N 0.87 0.77 -0.26 0.81 4.39 -1.26 -2.44 114.58 117.47 2vg3 h GLU 173 Ca 0.29 -0.24 -0.09 0.00 0.34 0.00 0.00 59.36 59.66 2vg3 h GLU 173 Cb 0.03 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 2vg3 h GLU 173 CO -0.11 0.83 -0.23 -0.07 -1.16 0.00 0.00 179.01 178.27 2vg3 h LEU 174 N 0.61 0.48 -0.65 1.33 3.38 -1.19 -1.68 115.31 117.59 2vg3 h LEU 174 Ca 0.12 -0.15 0.04 0.00 0.09 0.00 0.00 57.88 57.98 2vg3 h LEU 174 Cb 0.48 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.05 2vg3 h LEU 174 CO 0.02 0.71 0.38 0.00 0.09 0.00 0.00 178.44 179.64 2vg3 h ALA 175 N 1.33 0.86 -0.44 1.53 0.00 -0.52 0.12 119.26 122.15 2vg3 h ALA 175 Ca 0.07 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 2vg3 h ALA 175 Cb 0.64 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2vg3 h ALA 175 CO 0.05 0.10 0.09 0.28 0.00 0.00 0.00 179.25 179.76 2vg3 h VAL 176 N 0.73 1.24 -0.96 0.00 2.07 -1.15 -1.69 116.25 116.49 2vg3 h VAL 176 Ca 0.28 -0.85 0.03 0.00 0.82 0.00 0.00 66.70 66.98 2vg3 h VAL 176 Cb 0.10 0.96 -0.05 0.00 -1.52 0.00 0.00 31.29 30.77 2vg3 h VAL 176 CO -0.14 0.30 0.63 0.00 0.02 0.00 0.00 177.57 178.37 2vg3 h ALA 177 N 0.95 1.26 -0.18 1.67 0.00 -0.92 -1.51 119.26 120.53 2vg3 h ALA 177 Ca 0.13 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2vg3 h ALA 177 Cb 0.35 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2vg3 h ALA 177 CO 0.01 0.52 0.05 1.49 0.00 0.00 0.00 179.25 181.31 2vg3 h GLU 178 N 1.22 0.29 -0.21 0.00 4.81 -0.60 -2.30 114.58 117.80 2vg3 h GLU 178 Ca 0.38 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.52 2vg3 h GLU 178 Cb -0.02 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 2vg3 h GLU 178 CO -0.11 0.42 0.06 1.49 -0.73 0.00 0.00 179.01 180.14 2vg3 h GLU 179 N 0.11 0.33 -0.27 1.92 4.57 -1.09 -1.11 114.58 119.03 2vg3 h GLU 179 Ca 0.06 -0.07 0.07 0.00 -1.18 0.00 0.00 59.36 58.23 2vg3 h GLU 179 Cb 0.26 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.79 2vg3 h GLU 179 CO 0.00 0.43 0.19 0.52 -1.18 0.00 0.00 179.01 178.97 2vg3 h MET 180 N 0.16 0.04 -0.15 1.92 2.86 -1.29 -3.16 114.93 115.31 2vg3 h MET 180 Ca 0.07 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 2vg3 h MET 180 Cb 0.25 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.90 2vg3 h MET 180 CO -0.00 0.03 0.00 0.25 1.06 0.00 0.00 176.91 178.25 2vg3 n THR 181 N -4.47 0.98 0.29 2.22 -2.24 -0.87 -4.77 114.28 105.43 2vg3 n THR 181 Ca 0.03 -0.99 0.16 0.00 -2.27 0.00 0.00 64.05 60.98 2vg3 n THR 181 Cb 0.32 0.51 0.89 0.00 -2.10 0.00 0.00 70.33 69.95 2vg3 n THR 181 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 2vg3 h LYS 182 N 0.90 0.00 -0.02 -0.78 2.10 -1.17 -1.81 116.57 115.79 2vg3 h LYS 182 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2vg3 h LYS 182 Cb 0.60 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.93 2vg3 h LYS 182 CO 0.00 0.05 -0.23 0.43 -2.00 0.00 0.00 179.45 177.69 2vg3 n SER 183 N -3.58 2.29 -4.77 7.07 7.64 -1.26 -4.97 113.62 116.04 2vg3 n SER 183 Ca -0.02 -1.65 -0.33 0.00 1.01 0.00 0.00 58.87 57.87 2vg3 n SER 183 Cb 0.15 0.22 0.04 0.00 -1.01 0.00 0.00 64.21 63.62 2vg3 n SER 183 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 2vg3 s ASN 184 N -2.25 5.18 0.00 6.43 0.01 -0.68 -5.00 114.94 118.62 2vg3 s ASN 184 Ca 0.24 2.02 0.00 0.00 -0.71 0.00 0.00 52.86 54.41 2vg3 s ASN 184 Cb 0.19 -2.55 0.00 0.00 0.41 0.00 0.00 41.25 39.30 2vg3 s ASN 184 CO 0.44 -1.58 0.41 -0.90 -1.51 0.00 0.00 177.10 173.96 2vg3 n ASP 185 N -2.30 0.00 -0.10 -1.22 5.68 -1.21 -4.59 116.55 112.80 2vg3 n ASP 185 Ca 0.10 -1.08 -0.12 0.00 -0.50 0.00 0.00 54.79 53.19 2vg3 n ASP 185 Cb 0.52 -0.02 -0.04 0.00 -1.14 0.00 0.00 41.12 40.44 2vg3 n ASP 185 CO 0.00 0.00 0.00 0.58 -1.33 0.00 0.00 177.20 176.45 2vg3 h VAL 186 N 3.40 1.30 -2.33 2.12 2.07 -1.61 -3.46 116.25 117.73 2vg3 h VAL 186 Ca 0.00 -1.30 -0.08 0.00 0.82 0.00 0.00 66.70 66.14 2vg3 h VAL 186 Cb 1.03 1.51 -0.20 0.00 -1.52 0.00 0.00 31.29 32.11 2vg3 h VAL 186 CO 0.00 0.42 0.02 -0.51 0.02 0.00 0.00 177.57 177.52 2vg3 s ILE 187 N -4.53 0.01 -0.20 4.57 2.07 -1.23 -4.71 121.20 117.19 2vg3 s ILE 187 Ca -0.13 -0.11 -0.06 0.00 -1.41 0.00 0.00 60.65 58.94 2vg3 s ILE 187 Cb 0.08 -0.86 -0.03 0.00 0.13 0.00 0.00 42.46 41.78 2vg3 s ILE 187 CO 0.81 -0.06 0.04 -0.89 -1.91 0.00 0.00 174.94 172.92 2vg3 s THR 188 N -0.75 4.39 -0.26 4.00 2.01 -0.25 -0.78 115.64 124.00 2vg3 s THR 188 Ca -0.08 -0.17 -0.05 0.00 0.31 0.00 0.00 61.69 61.70 2vg3 s THR 188 Cb -0.02 -2.99 0.00 0.00 0.01 0.00 0.00 72.50 69.50 2vg3 s THR 188 CO 0.06 0.43 0.01 -0.63 -0.69 0.00 0.00 174.62 173.80 2vg3 s ILE 189 N 0.77 3.60 -0.45 1.82 1.01 0.11 -1.24 121.20 126.81 2vg3 s ILE 189 Ca 0.02 -0.63 -0.26 0.00 0.00 0.00 0.00 60.65 59.78 2vg3 s ILE 189 Cb -0.14 -2.76 0.03 0.00 0.01 0.00 0.00 42.46 39.60 2vg3 s ILE 189 CO 0.02 0.25 0.96 0.20 0.00 0.00 0.00 174.94 176.37 2vg3 s ASN 190 N 1.47 6.55 -0.61 3.58 0.01 0.03 -2.51 114.94 123.48 2vg3 s ASN 190 Ca 0.04 0.26 -0.16 0.00 -0.71 0.00 0.00 52.86 52.28 2vg3 s ASN 190 Cb -0.16 -2.47 0.14 0.00 0.41 0.00 0.00 41.25 39.17 2vg3 s ASN 190 CO -0.01 -1.06 0.60 -0.47 -1.51 0.00 0.00 177.10 174.65 2vg3 s TYR 191 N 3.84 3.29 -0.45 2.20 5.04 -0.27 -1.27 117.35 129.73 2vg3 s TYR 191 Ca 0.39 -1.36 -0.20 0.00 -2.44 0.00 0.00 57.07 53.47 2vg3 s TYR 191 Cb -0.10 -3.85 0.03 0.00 0.35 0.00 0.00 41.96 38.39 2vg3 s TYR 191 CO 0.26 -1.08 0.60 0.00 -1.34 0.00 0.00 175.55 173.99 2vg3 s VAL 193 N 2.64 1.02 -1.42 0.00 1.01 -0.62 -0.53 120.40 122.50 2vg3 s VAL 193 Ca 0.19 -0.41 -0.07 0.00 0.00 0.00 0.00 61.98 61.69 2vg3 s VAL 193 Cb -0.16 -0.95 0.04 0.00 0.00 0.00 0.00 36.38 35.32 2vg3 s VAL 193 CO 0.16 0.33 0.86 -3.20 0.00 0.00 0.00 175.10 173.26 2vg3 n ASN 194 N 3.87 -3.22 -4.80 3.32 5.15 0.98 -4.12 115.26 116.43 2vg3 n ASN 194 Ca -0.23 -0.79 -0.38 0.00 -0.60 0.00 0.00 54.58 52.58 2vg3 n ASN 194 Cb 0.51 -4.02 -0.06 0.00 -0.53 0.00 0.00 39.78 35.69 2vg3 n ASN 194 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 2vg3 s TYR 195 N -3.47 3.64 -0.10 1.20 5.04 -0.83 -0.42 117.35 122.41 2vg3 s TYR 195 Ca 0.36 0.88 -0.04 0.00 -2.44 0.00 0.00 57.07 55.83 2vg3 s TYR 195 Cb -0.18 -2.32 0.05 0.00 0.35 0.00 0.00 41.96 39.86 2vg3 s TYR 195 CO 0.82 0.50 0.22 0.20 -1.34 0.00 0.00 175.55 175.95 2vg3 s GLY 196 N -0.53 -0.07 0.12 8.97 0.00 -1.26 -1.65 107.32 112.90 2vg3 s GLY 196 Ca 0.22 0.83 -0.20 0.00 0.00 0.00 0.00 44.72 45.58 2vg3 s GLY 196 CO 0.11 1.58 1.74 -1.33 0.00 0.00 0.00 173.10 175.20 2vg3 h GLY 197 N 7.88 0.21 1.02 0.20 0.00 -1.35 0.30 103.07 111.32 2vg3 h GLY 197 Ca -0.25 -0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 2vg3 h GLY 197 CO 0.24 0.01 0.50 3.21 0.00 0.00 0.00 176.54 180.50 2vg3 h ARG 198 N 0.13 1.18 -0.52 4.80 3.08 -1.98 -2.22 114.38 118.85 2vg3 h ARG 198 Ca 0.08 -0.12 -0.10 0.00 0.07 0.00 0.00 59.98 59.91 2vg3 h ARG 198 Cb 0.06 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 29.85 2vg3 h ARG 198 CO -0.09 0.84 -0.08 1.15 -1.07 0.00 0.00 179.97 180.72 2vg3 h THR 199 N 1.19 1.26 -0.62 2.04 2.02 -1.85 -1.43 112.91 115.52 2vg3 h THR 199 Ca 0.31 -1.20 -0.06 0.00 0.77 0.00 0.00 66.41 66.23 2vg3 h THR 199 Cb -0.02 0.95 -0.03 0.00 -1.74 0.00 0.00 68.15 67.31 2vg3 h THR 199 CO -0.05 0.42 0.15 -0.08 0.37 0.00 0.00 175.52 176.33 2vg3 h GLU 200 N 0.85 0.99 -0.74 6.66 4.81 -0.80 -0.02 114.58 126.33 2vg3 h GLU 200 Ca 0.14 -0.24 -0.06 0.00 -0.13 0.00 0.00 59.36 59.07 2vg3 h GLU 200 Cb 0.61 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.83 2vg3 h GLU 200 CO 0.04 0.90 0.23 0.82 -0.73 0.00 0.00 179.01 180.27 2vg3 h ILE 201 N 0.91 1.26 -0.59 2.32 2.04 -1.25 -2.02 117.51 120.19 2vg3 h ILE 201 Ca 0.20 -0.91 -0.05 0.00 1.00 0.00 0.00 64.86 65.09 2vg3 h ILE 201 Cb 0.35 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 2vg3 h ILE 201 CO 0.00 0.36 0.16 0.74 0.00 0.00 0.00 178.15 179.41 2vg3 h THR 202 N 1.10 1.25 -0.71 -0.27 2.02 -0.94 -1.50 112.91 113.86 2vg3 h THR 202 Ca 0.24 -0.86 -0.05 0.00 0.77 0.00 0.00 66.41 66.51 2vg3 h THR 202 Cb 0.31 0.69 -0.03 0.00 -1.74 0.00 0.00 68.15 67.37 2vg3 h THR 202 CO -0.01 0.32 0.26 -0.08 0.37 0.00 0.00 175.52 176.38 2vg3 h GLU 203 N 0.84 1.06 -0.54 6.66 4.57 -0.76 -0.55 114.58 125.86 2vg3 h GLU 203 Ca 0.19 -0.19 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 2vg3 h GLU 203 Cb 0.32 -0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 28.71 2vg3 h GLU 203 CO -0.00 0.88 0.31 0.00 -1.18 0.00 0.00 179.01 179.01 2vg3 h ALA 204 N 1.25 0.69 -0.77 2.92 0.00 -1.20 -0.71 119.26 121.44 2vg3 h ALA 204 Ca 0.23 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 2vg3 h ALA 204 Cb 0.23 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 2vg3 h ALA 204 CO -0.02 0.19 0.38 1.15 0.00 0.00 0.00 179.25 180.96 2vg3 h THR 205 N 0.72 1.24 -0.94 0.00 2.02 -0.91 0.50 112.91 115.54 2vg3 h THR 205 Ca 0.19 -0.66 0.00 0.00 0.77 0.00 0.00 66.41 66.71 2vg3 h THR 205 Cb 0.02 0.26 -0.05 0.00 -1.74 0.00 0.00 68.15 66.64 2vg3 h THR 205 CO -0.03 0.28 0.59 0.03 0.37 0.00 0.00 175.52 176.75 2vg3 h ARG 206 N 1.08 1.26 -0.25 6.66 3.08 -0.82 0.19 114.38 125.58 2vg3 h ARG 206 Ca 0.27 -0.10 -0.04 0.00 0.07 0.00 0.00 59.98 60.18 2vg3 h ARG 206 Cb 0.10 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 2vg3 h ARG 206 CO -0.04 0.86 0.01 1.49 -1.07 0.00 0.00 179.97 181.23 2vg3 h GLU 207 N 1.28 0.42 -0.52 0.04 4.57 -0.38 -0.91 114.58 119.09 2vg3 h GLU 207 Ca 0.34 -0.13 0.07 0.00 -1.18 0.00 0.00 59.36 58.46 2vg3 h GLU 207 Cb -0.09 -0.04 -0.06 0.00 -0.16 0.00 0.00 28.75 28.40 2vg3 h GLU 207 CO -0.07 0.58 0.18 0.82 -1.18 0.00 0.00 179.01 179.35 2vg3 h ILE 208 N 0.21 0.81 -0.67 2.32 2.04 -0.63 -1.86 117.51 119.73 2vg3 h ILE 208 Ca 0.07 -0.12 0.04 0.00 1.00 0.00 0.00 64.86 65.85 2vg3 h ILE 208 Cb 0.38 0.42 -0.05 0.00 -0.74 0.00 0.00 36.82 36.84 2vg3 h ILE 208 CO 0.01 0.07 0.40 0.00 0.00 0.00 0.00 178.15 178.63 2vg3 h ALA 209 N 1.35 0.88 -0.36 1.87 0.00 -0.30 0.41 119.26 123.11 2vg3 h ALA 209 Ca 0.25 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 2vg3 h ALA 209 Cb 0.28 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2vg3 h ALA 209 CO -0.26 0.14 0.21 0.00 0.00 0.00 0.00 179.25 179.34 2vg3 h ARG 210 N 0.77 0.49 -0.46 0.00 3.08 -0.63 0.02 114.38 117.66 2vg3 h ARG 210 Ca 0.28 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 60.30 2vg3 h ARG 210 Cb 0.07 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 29.99 2vg3 h ARG 210 CO -0.13 0.38 0.27 0.93 -1.07 0.00 0.00 179.97 180.35 2vg3 h GLU 211 N 0.47 0.52 -0.42 0.04 4.39 -0.88 -1.49 114.58 117.20 2vg3 h GLU 211 Ca 0.13 -0.03 0.06 0.00 0.34 0.00 0.00 59.36 59.86 2vg3 h GLU 211 Cb 0.02 -0.12 -0.05 0.00 -0.10 0.00 0.00 28.75 28.50 2vg3 h GLU 211 CO -0.02 0.34 0.13 0.28 -1.16 0.00 0.00 179.01 178.58 2vg3 h VAL 212 N 0.54 0.83 -0.11 3.13 2.07 -0.61 -0.89 116.25 121.21 2vg3 h VAL 212 Ca 0.18 -0.10 -0.03 0.00 0.82 0.00 0.00 66.70 67.58 2vg3 h VAL 212 Cb 0.02 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 2vg3 h VAL 212 CO -0.09 0.05 -0.05 0.00 0.02 0.00 0.00 177.57 177.50 2vg3 h ALA 213 N 1.30 1.70 -0.00 1.67 0.00 -0.46 -1.00 119.26 122.46 2vg3 h ALA 213 Ca 0.20 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2vg3 h ALA 213 Cb 0.22 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2vg3 h ALA 213 CO -0.23 0.22 -0.10 0.00 0.00 0.00 0.00 179.25 179.14 2vg3 n ALA 214 N -2.50 2.76 -0.61 0.00 0.00 -0.61 -4.92 120.51 114.62 2vg3 n ALA 214 Ca -0.01 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.15 2vg3 n ALA 214 Cb 0.19 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.31 2vg3 n ALA 214 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2vg3 n GLY 215 N 1.26 1.17 0.13 0.00 0.00 -0.38 -4.90 105.19 102.46 2vg3 n GLY 215 Ca 0.15 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.31 2vg3 n GLY 215 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vg3 n ARG 216 N -2.00 1.17 -3.79 1.61 1.74 -0.43 -4.71 116.66 110.25 2vg3 n ARG 216 Ca 0.00 -0.25 -0.13 0.00 -0.77 0.00 0.00 57.85 56.70 2vg3 n ARG 216 Cb 0.00 -1.43 -0.14 0.00 -1.02 0.00 0.00 32.46 29.87 2vg3 n ARG 216 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2vg3 s LEU 217 N -1.85 1.17 -0.28 0.55 2.96 -1.19 -4.91 118.68 115.12 2vg3 s LEU 217 Ca 0.40 0.25 -0.17 0.00 -0.22 0.00 0.00 54.13 54.39 2vg3 s LEU 217 Cb 0.19 0.35 -0.03 0.00 0.50 0.00 0.00 46.19 47.21 2vg3 s LEU 217 CO 0.31 -0.09 0.45 0.21 -1.32 0.00 0.00 176.35 175.91 2vg3 s ASN 218 N 0.61 6.34 0.57 3.68 3.84 -1.26 -4.38 114.94 124.33 2vg3 s ASN 218 Ca -0.05 0.33 0.27 0.00 0.21 0.00 0.00 52.86 53.62 2vg3 s ASN 218 Cb -0.06 -2.25 1.59 0.00 -0.55 0.00 0.00 41.25 39.98 2vg3 s ASN 218 CO -0.03 -0.27 2.11 -0.65 -2.79 0.00 0.00 177.10 175.47 2vg3 h PRO 219 N 8.15 0.00 0.00 0.43 0.11 -1.99 0.20 132.00 138.90 2vg3 h PRO 219 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 2vg3 h PRO 219 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2vg3 h PRO 219 CO 0.69 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.87 2vg3 n GLU 220 N -3.98 0.29 -0.21 1.05 -0.58 -1.26 -3.13 120.64 112.83 2vg3 n GLU 220 Ca 0.02 0.03 0.07 0.00 -0.42 0.00 0.00 57.16 56.86 2vg3 n GLU 220 Cb 0.30 -1.50 0.19 0.00 -0.57 0.00 0.00 31.44 29.86 2vg3 n GLU 220 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2vg3 n ARG 221 N -1.34 2.64 -2.49 3.49 1.74 0.06 -4.97 116.66 115.78 2vg3 n ARG 221 Ca 0.11 -2.14 -0.42 0.00 -0.77 0.00 0.00 57.85 54.63 2vg3 n ARG 221 Cb 0.24 -1.35 -0.03 0.00 -1.02 0.00 0.00 32.46 30.31 2vg3 n ARG 221 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2vg3 s ILE 222 N -1.03 4.31 0.43 0.55 1.01 -1.18 -4.95 121.20 120.35 2vg3 s ILE 222 Ca 0.29 1.63 0.03 0.00 0.00 0.00 0.00 60.65 62.61 2vg3 s ILE 222 Cb 0.16 -4.05 -0.02 0.00 0.01 0.00 0.00 42.46 38.55 2vg3 s ILE 222 CO 0.21 0.02 0.09 0.42 0.00 0.00 0.00 174.94 175.68 2vg3 s THR 223 N 1.96 0.82 0.37 2.92 -4.23 -1.26 -4.98 115.64 111.24 2vg3 s THR 223 Ca 0.55 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 59.16 2vg3 s THR 223 Cb -0.25 -2.34 0.32 0.00 1.34 0.00 0.00 72.50 71.58 2vg3 s THR 223 CO 0.23 0.00 1.90 -0.33 -0.54 0.00 0.00 174.62 175.88 2vg3 h GLU 224 N 1.69 0.63 0.00 3.99 5.08 -2.01 -0.38 114.58 123.58 2vg3 h GLU 224 Ca -0.38 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 57.85 2vg3 h GLU 224 Cb 1.28 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 2vg3 h GLU 224 CO 0.63 0.42 -0.44 0.77 -1.00 0.00 0.00 179.01 179.38 2vg3 h SER 225 N 0.65 0.00 -0.58 1.42 0.02 -1.99 -2.07 113.55 111.01 2vg3 h SER 225 Ca 0.40 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 61.36 2vg3 h SER 225 Cb 0.64 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.14 2vg3 h SER 225 CO -0.16 0.44 0.37 0.74 -1.14 0.00 0.00 176.83 177.09 2vg3 h THR 226 N 0.00 1.11 0.13 -2.27 2.02 -1.43 -0.12 112.91 112.35 2vg3 h THR 226 Ca -0.00 -0.26 -0.01 0.00 0.77 0.00 0.00 66.41 66.91 2vg3 h THR 226 Cb 0.84 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 67.55 2vg3 h THR 226 CO 0.06 0.14 -0.06 0.40 0.37 0.00 0.00 175.52 176.42 2vg3 h ILE 227 N 0.75 0.89 -0.73 3.11 1.08 -1.27 -2.60 117.51 118.74 2vg3 h ILE 227 Ca 0.22 -0.07 0.11 0.00 -0.39 0.00 0.00 64.86 64.73 2vg3 h ILE 227 Cb -0.04 0.94 -0.08 0.00 -3.07 0.00 0.00 36.82 34.57 2vg3 h ILE 227 CO -0.07 0.02 0.34 0.00 -0.69 0.00 0.00 178.15 177.75 2vg3 h ALA 228 N 0.67 1.02 0.00 1.87 0.00 -1.18 0.20 119.26 121.84 2vg3 h ALA 228 Ca -0.02 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2vg3 h ALA 228 Cb 0.16 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2vg3 h ALA 228 CO 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.16 2vg3 h ARG 229 N 0.54 0.00 -0.28 0.00 3.08 -0.88 -2.93 114.38 113.91 2vg3 h ARG 229 Ca 0.38 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.43 2vg3 h ARG 229 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.53 2vg3 h ARG 229 CO -0.32 0.00 0.00 0.72 -1.07 0.00 0.00 179.97 179.30 2vg3 n HIS 230 N -2.84 0.37 -1.33 3.04 8.25 -0.00 -4.78 115.22 117.93 2vg3 n HIS 230 Ca 0.00 -0.31 -0.33 0.00 -0.26 0.00 0.00 57.72 56.83 2vg3 n HIS 230 Cb 0.24 -0.01 0.10 0.00 1.12 0.00 0.00 29.99 31.43 2vg3 n HIS 230 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2vg3 s LEU 231 N -1.08 3.18 0.25 2.41 1.43 -0.83 -4.16 118.68 119.89 2vg3 s LEU 231 Ca 0.25 2.12 -0.03 0.00 -1.03 0.00 0.00 54.13 55.44 2vg3 s LEU 231 Cb 0.14 -4.56 0.52 0.00 0.03 0.00 0.00 46.19 42.32 2vg3 s LEU 231 CO 0.20 -2.22 1.71 -0.61 0.23 0.00 0.00 176.35 175.65 2vg3 h GLN 232 N -0.71 0.36 -3.05 1.70 4.15 -1.90 -3.23 115.11 112.43 2vg3 h GLN 232 Ca -0.46 -0.02 -0.62 0.00 0.77 0.00 0.00 58.65 58.32 2vg3 h GLN 232 Cb 1.26 -0.08 -0.42 0.00 0.21 0.00 0.00 27.48 28.46 2vg3 h GLN 232 CO 0.49 0.24 -0.60 1.03 -1.93 0.00 0.00 178.83 178.06 2vg3 s ARG 233 N -6.00 2.33 0.31 1.69 1.81 -1.26 -4.98 118.95 112.85 2vg3 s ARG 233 Ca -0.12 -3.22 0.24 0.00 -1.72 0.00 0.00 55.73 50.91 2vg3 s ARG 233 Cb 0.22 -3.28 1.13 0.00 -0.45 0.00 0.00 34.95 32.57 2vg3 s ARG 233 CO 0.76 -1.28 1.73 -1.00 -0.68 0.00 0.00 175.30 174.83 2vg3 h PRO 234 N 5.48 0.00 0.00 3.54 0.13 -1.79 -2.39 132.00 136.98 2vg3 h PRO 234 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 2vg3 h PRO 234 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 2vg3 h PRO 234 CO 0.69 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.06 2vg3 n ASP 235 N -2.32 0.00 -4.67 1.44 5.75 -1.26 -4.85 116.55 110.64 2vg3 n ASP 235 Ca 0.00 -0.02 -0.42 0.00 -0.01 0.00 0.00 54.79 54.34 2vg3 n ASP 235 Cb 0.15 -0.33 -0.03 0.00 -1.03 0.00 0.00 41.12 39.89 2vg3 n ASP 235 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 2vg3 s ILE 236 N -2.65 3.53 0.81 2.12 1.01 -0.90 -4.98 121.20 120.12 2vg3 s ILE 236 Ca 0.26 0.79 -0.12 0.00 0.00 0.00 0.00 60.65 61.58 2vg3 s ILE 236 Cb 0.20 -3.51 0.07 0.00 0.01 0.00 0.00 42.46 39.23 2vg3 s ILE 236 CO 0.47 -0.04 1.11 -2.16 0.00 0.00 0.00 174.94 174.31 2vg3 s PRO 237 N 3.33 2.02 0.39 2.79 0.04 -1.26 -4.99 135.00 137.32 2vg3 s PRO 237 Ca 0.70 0.55 -0.25 0.00 0.04 0.00 0.00 61.00 62.05 2vg3 s PRO 237 Cb -0.34 -1.92 -0.12 0.00 0.04 0.00 0.00 34.50 32.17 2vg3 s PRO 237 CO 0.29 -1.65 0.89 -0.25 0.04 0.00 0.00 177.00 176.32 2vg3 n ASP 238 N -3.43 0.70 -4.69 6.66 8.00 -1.26 -4.93 116.55 117.60 2vg3 n ASP 238 Ca 0.07 1.03 -0.42 0.00 0.71 0.00 0.00 54.79 56.18 2vg3 n ASP 238 Cb 0.57 -1.28 -0.03 0.00 -0.02 0.00 0.00 41.12 40.37 2vg3 n ASP 238 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2vg3 s VAL 239 N -1.28 4.28 -0.13 2.53 1.01 -0.48 -4.50 120.40 121.84 2vg3 s VAL 239 Ca 0.63 1.61 -0.13 0.00 0.00 0.00 0.00 61.98 64.09 2vg3 s VAL 239 Cb -0.60 -4.04 -0.25 0.00 0.00 0.00 0.00 36.38 31.49 2vg3 s VAL 239 CO 0.57 0.02 0.42 0.44 0.00 0.00 0.00 175.10 176.56 2vg3 h ASP 240 N 7.31 0.34 -3.25 3.32 3.32 -1.34 -3.28 116.42 122.83 2vg3 h ASP 240 Ca -0.35 -0.83 -0.50 0.00 0.02 0.00 0.00 57.03 55.37 2vg3 h ASP 240 Cb 1.17 -0.11 -0.36 0.00 0.22 0.00 0.00 39.33 40.25 2vg3 h ASP 240 CO 0.86 1.70 -0.79 -0.22 -1.72 0.00 0.00 179.24 179.07 2vg3 s LEU 241 N -7.40 1.15 -0.23 1.55 2.96 -1.03 -1.68 118.68 113.99 2vg3 s LEU 241 Ca -0.22 -0.24 -0.03 0.00 -0.22 0.00 0.00 54.13 53.41 2vg3 s LEU 241 Cb 0.06 -0.72 0.00 0.00 0.50 0.00 0.00 46.19 46.03 2vg3 s LEU 241 CO 0.74 -0.11 -0.05 0.12 -1.32 0.00 0.00 176.35 175.73 2vg3 s PHE 242 N 1.54 2.99 -0.02 5.38 5.36 0.40 -0.96 117.98 132.66 2vg3 s PHE 242 Ca 0.01 -1.16 0.04 0.00 -0.96 0.00 0.00 56.93 54.85 2vg3 s PHE 242 Cb -0.13 -2.09 -0.03 0.00 -0.34 0.00 0.00 43.02 40.43 2vg3 s PHE 242 CO -0.05 -0.62 -0.12 -0.51 -1.46 0.00 0.00 175.22 172.46 2vg3 s LEU 243 N 1.42 2.88 -0.01 6.12 1.43 0.59 -1.77 118.68 129.35 2vg3 s LEU 243 Ca 0.04 -0.20 -0.00 0.00 -1.03 0.00 0.00 54.13 52.94 2vg3 s LEU 243 Cb -0.15 -1.64 0.02 0.00 0.03 0.00 0.00 46.19 44.45 2vg3 s LEU 243 CO -0.04 0.31 0.02 -0.60 0.23 0.00 0.00 176.35 176.27 2vg3 s ARG 244 N -1.06 -0.02 0.51 1.70 3.52 -1.13 -0.50 118.95 121.98 2vg3 s ARG 244 Ca 0.14 0.11 0.03 0.00 -0.13 0.00 0.00 55.73 55.87 2vg3 s ARG 244 Cb -0.11 -0.14 0.03 0.00 -1.56 0.00 0.00 34.95 33.17 2vg3 s ARG 244 CO 0.03 -0.10 0.71 0.95 -0.81 0.00 0.00 175.30 176.09 2vg3 s THR 245 N 0.61 2.84 0.00 4.11 -4.23 -1.12 -1.50 115.64 116.36 2vg3 s THR 245 Ca -0.05 -0.74 0.00 0.00 -1.18 0.00 0.00 61.69 59.71 2vg3 s THR 245 Cb -0.07 -3.03 0.00 0.00 1.34 0.00 0.00 72.50 70.73 2vg3 s THR 245 CO -0.02 -0.02 0.00 -1.54 -0.54 0.00 0.00 174.62 172.50 2vg3 n SER 246 N -2.20 0.00 0.00 3.99 3.41 0.07 -4.02 113.62 114.87 2vg3 n SER 246 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 2vg3 n SER 246 Cb 0.59 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 2vg3 n SER 246 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2vg3 n GLY 247 N -2.00 0.79 3.76 5.00 0.00 -1.12 -4.85 105.19 106.77 2vg3 n GLY 247 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 2vg3 n GLY 247 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2vg3 s GLU 248 N -0.71 4.69 -0.72 1.61 0.41 -1.26 -4.99 118.70 117.73 2vg3 s GLU 248 Ca 0.00 1.74 0.04 0.00 -0.41 0.00 0.00 54.97 56.34 2vg3 s GLU 248 Cb 0.00 -3.21 0.17 0.00 -1.78 0.00 0.00 34.13 29.31 2vg3 s GLU 248 CO 0.00 0.27 0.52 -0.65 -0.49 0.00 0.00 175.26 174.92 2vg3 s GLN 249 N -1.36 2.56 -0.06 1.61 -0.21 -1.26 -4.81 119.66 116.13 2vg3 s GLN 249 Ca 0.44 -3.31 -0.30 0.00 0.02 0.00 0.00 55.36 52.21 2vg3 s GLN 249 Cb -0.31 -3.50 0.09 0.00 1.00 0.00 0.00 33.01 30.30 2vg3 s GLN 249 CO 0.39 -1.27 0.81 -0.98 -2.12 0.00 0.00 175.29 172.11 2vg3 s ARG 250 N -1.39 0.89 0.16 2.91 1.70 -1.26 -5.05 118.95 116.91 2vg3 s ARG 250 Ca 0.25 0.08 0.22 0.00 -0.47 0.00 0.00 55.73 55.80 2vg3 s ARG 250 Cb -0.06 0.42 -0.05 0.00 -0.57 0.00 0.00 34.95 34.69 2vg3 s ARG 250 CO -0.15 -0.31 0.95 -1.13 -1.08 0.00 0.00 175.30 173.58 2vg3 n SER 251 N 0.57 0.74 -4.19 -2.89 3.41 -1.26 -4.97 113.62 105.03 2vg3 n SER 251 Ca -0.14 0.29 -0.30 0.00 -0.26 0.00 0.00 58.87 58.46 2vg3 n SER 251 Cb 0.59 0.63 -0.07 0.00 -0.26 0.00 0.00 64.21 65.10 2vg3 n SER 251 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2vg3 n SER 252 N -2.64 0.20 -0.69 4.04 7.64 -1.26 -1.93 113.62 118.99 2vg3 n SER 252 Ca -0.01 -1.17 -0.09 0.00 1.01 0.00 0.00 58.87 58.61 2vg3 n SER 252 Cb 0.57 -2.18 -0.04 0.00 -1.01 0.00 0.00 64.21 61.56 2vg3 n SER 252 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2vg3 n ASN 253 N -2.90 -4.18 -4.76 6.43 5.15 -1.26 -4.94 115.26 108.80 2vg3 n ASN 253 Ca -0.29 0.22 -0.38 0.00 -0.60 0.00 0.00 54.58 53.53 2vg3 n ASN 253 Cb 0.68 -2.47 -0.06 0.00 -0.53 0.00 0.00 39.78 37.39 2vg3 n ASN 253 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 2vg3 s PHE 254 N -2.30 3.60 -1.56 1.20 5.36 -0.81 -0.84 117.98 122.62 2vg3 s PHE 254 Ca 0.00 0.97 -0.07 0.00 -0.96 0.00 0.00 56.93 56.87 2vg3 s PHE 254 Cb 0.00 -2.50 0.06 0.00 -0.34 0.00 0.00 43.02 40.24 2vg3 s PHE 254 CO 0.00 0.32 0.42 -1.33 -1.46 0.00 0.00 175.22 173.17 2vg3 n MET 255 N 3.05 -2.41 0.21 10.12 2.81 -1.26 -4.79 117.12 124.85 2vg3 n MET 255 Ca -0.09 0.29 -0.15 0.00 -1.81 0.00 0.00 57.70 55.94 2vg3 n MET 255 Cb 0.52 -4.45 -0.07 0.00 -0.71 0.00 0.00 33.22 28.51 2vg3 n MET 255 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 2vg3 h LEU 256 N -1.65 -0.77 -0.38 4.03 5.85 -1.87 0.52 115.31 121.04 2vg3 h LEU 256 Ca -0.63 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.15 2vg3 h LEU 256 Cb 1.39 0.26 -0.02 0.00 0.37 0.00 0.00 40.66 42.65 2vg3 h LEU 256 CO 0.71 -0.43 0.20 -0.25 -0.34 0.00 0.00 178.44 178.33 2vg3 h TRP 257 N -0.64 0.53 0.00 1.25 2.91 -1.89 -3.22 115.95 114.89 2vg3 h TRP 257 Ca -0.02 -0.02 -0.08 0.00 1.13 0.00 0.00 58.89 59.90 2vg3 h TRP 257 Cb 0.57 -0.17 -0.01 0.00 -0.51 0.00 0.00 29.16 29.04 2vg3 h TRP 257 CO -0.16 0.43 -0.39 1.96 -1.03 0.00 0.00 178.44 179.25 2vg3 h GLN 258 N 0.48 0.00 -0.65 2.65 7.50 -1.82 -3.13 115.11 120.14 2vg3 h GLN 258 Ca 0.13 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.28 2vg3 h GLN 258 Cb 0.08 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.61 2vg3 h GLN 258 CO -0.02 0.39 0.00 0.00 -1.50 0.00 0.00 178.83 177.70 2vg3 n ALA 259 N -2.26 3.23 -0.32 3.87 0.00 0.18 -1.38 120.51 123.82 2vg3 n ALA 259 Ca 0.01 -1.59 0.21 0.00 0.00 0.00 0.00 53.44 52.07 2vg3 n ALA 259 Cb 0.57 -1.05 0.42 0.00 0.00 0.00 0.00 19.45 19.40 2vg3 n ALA 259 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2vg3 h ALA 260 N 4.09 1.75 -0.27 0.00 0.00 -1.61 -1.38 119.26 121.83 2vg3 h ALA 260 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2vg3 h ALA 260 Cb 1.52 0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.54 2vg3 h ALA 260 CO 0.28 -0.57 0.00 0.66 0.00 0.00 0.00 179.25 179.62 2vg3 n TYR 261 N -5.13 0.61 -2.08 0.00 4.02 -1.26 -5.04 117.16 108.27 2vg3 n TYR 261 Ca 0.29 -0.68 -0.36 0.00 -0.01 0.00 0.00 57.90 57.13 2vg3 n TYR 261 Cb 0.91 -0.16 0.02 0.00 -0.02 0.00 0.00 39.34 40.09 2vg3 n TYR 261 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2vg3 s ALA 262 N -1.86 2.71 0.05 -0.72 0.00 -0.52 -4.94 121.76 116.48 2vg3 s ALA 262 Ca 0.30 1.01 -0.22 0.00 0.00 0.00 0.00 51.96 53.04 2vg3 s ALA 262 Cb 0.21 -3.44 -0.06 0.00 0.00 0.00 0.00 23.12 19.84 2vg3 s ALA 262 CO 0.11 -1.00 0.67 -2.00 0.00 0.00 0.00 175.76 173.54 2vg3 s GLU 263 N -3.11 4.39 -0.15 0.00 2.12 -0.68 -4.94 118.70 116.35 2vg3 s GLU 263 Ca 0.72 0.91 -0.07 0.00 0.36 0.00 0.00 54.97 56.89 2vg3 s GLU 263 Cb -0.30 -3.32 -0.04 0.00 0.26 0.00 0.00 34.13 30.73 2vg3 s GLU 263 CO 0.34 0.42 0.11 0.71 -0.54 0.00 0.00 175.26 176.30 2vg3 s TYR 264 N -0.46 3.43 -0.09 5.30 1.51 -1.26 -0.46 117.35 125.33 2vg3 s TYR 264 Ca 0.34 0.36 0.01 0.00 -1.01 0.00 0.00 57.07 56.76 2vg3 s TYR 264 Cb -0.20 -2.00 0.02 0.00 -0.11 0.00 0.00 41.96 39.67 2vg3 s TYR 264 CO 0.21 0.49 -0.08 0.42 -1.11 0.00 0.00 175.55 175.47 2vg3 s ILE 265 N -0.42 0.97 -0.21 2.71 1.01 -0.73 -4.96 121.20 119.58 2vg3 s ILE 265 Ca 0.11 -0.31 -0.05 0.00 0.00 0.00 0.00 60.65 60.40 2vg3 s ILE 265 Cb -0.12 -0.96 -0.02 0.00 0.01 0.00 0.00 42.46 41.37 2vg3 s ILE 265 CO 0.02 0.34 0.00 -0.36 0.00 0.00 0.00 174.94 174.94 2vg3 s PHE 266 N 1.30 3.03 -0.11 3.97 0.08 -1.26 -2.82 117.98 122.16 2vg3 s PHE 266 Ca -0.03 -0.52 0.00 0.00 0.12 0.00 0.00 56.93 56.50 2vg3 s PHE 266 Cb -0.14 -2.11 -0.02 0.00 -0.57 0.00 0.00 43.02 40.18 2vg3 s PHE 266 CO -0.03 -0.30 -0.11 -0.65 -0.10 0.00 0.00 175.22 174.03 2vg3 s GLN 267 N 1.15 3.22 0.47 0.44 -0.21 -0.56 -4.98 119.66 119.19 2vg3 s GLN 267 Ca 0.03 -0.65 0.27 0.00 0.02 0.00 0.00 55.36 55.03 2vg3 s GLN 267 Cb -0.14 -2.63 0.96 0.00 1.00 0.00 0.00 33.01 32.19 2vg3 s GLN 267 CO 0.01 0.33 1.83 -0.44 -2.12 0.00 0.00 175.29 174.91 2vg3 h ASP 268 N 6.33 0.00 -3.76 5.90 3.32 -1.90 -1.93 116.42 124.38 2vg3 h ASP 268 Ca -0.32 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.19 2vg3 h ASP 268 Cb 1.20 0.00 0.10 0.00 0.22 0.00 0.00 39.33 40.85 2vg3 h ASP 268 CO 0.56 0.14 0.82 -0.75 -1.72 0.00 0.00 179.24 178.29 2vg3 s LYS 269 N -3.57 4.10 0.46 3.56 2.20 -1.26 -3.55 119.74 121.68 2vg3 s LYS 269 Ca 0.02 2.60 -0.22 0.00 -0.36 0.00 0.00 55.97 58.01 2vg3 s LYS 269 Cb 0.09 -2.98 -0.08 0.00 -1.51 0.00 0.00 37.83 33.35 2vg3 s LYS 269 CO 0.62 -0.58 1.09 -0.51 -0.36 0.00 0.00 175.35 175.60 2vg3 s LEU 270 N -1.64 3.96 0.21 5.43 1.43 -1.26 -0.75 118.68 126.06 2vg3 s LEU 270 Ca 0.56 2.09 -0.10 0.00 -1.03 0.00 0.00 54.13 55.66 2vg3 s LEU 270 Cb -0.47 -4.37 0.25 0.00 0.03 0.00 0.00 46.19 41.62 2vg3 s LEU 270 CO 0.59 -0.80 1.79 -0.25 0.23 0.00 0.00 176.35 177.91 2vg3 h TRP 271 N 1.90 0.59 0.00 0.29 2.91 -1.46 0.16 115.95 120.34 2vg3 h TRP 271 Ca -0.49 0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.55 2vg3 h TRP 271 Cb 1.23 -0.17 0.00 0.00 -0.51 0.00 0.00 29.16 29.71 2vg3 h TRP 271 CO 0.55 0.25 0.00 -2.30 -1.03 0.00 0.00 178.44 175.92 2vg3 n PRO 272 N -4.85 0.15 0.00 2.65 -0.02 -1.26 -1.38 135.00 130.29 2vg3 n PRO 272 Ca 0.08 0.51 0.13 0.00 -2.02 0.00 0.00 63.50 62.20 2vg3 n PRO 272 Cb 0.20 -1.87 0.29 0.00 -0.02 0.00 0.00 33.50 32.10 2vg3 n PRO 272 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2vg3 n ASP 273 N -2.18 1.73 -4.81 2.55 8.00 0.03 -4.96 116.55 116.91 2vg3 n ASP 273 Ca 0.01 -1.40 -0.34 0.00 0.71 0.00 0.00 54.79 53.76 2vg3 n ASP 273 Cb 0.13 0.14 -0.07 0.00 -0.02 0.00 0.00 41.12 41.30 2vg3 n ASP 273 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2vg3 s TYR 274 N -2.26 3.44 0.29 1.24 5.04 -0.48 -4.95 117.35 119.68 2vg3 s TYR 274 Ca 0.28 1.66 -0.05 0.00 -2.44 0.00 0.00 57.07 56.52 2vg3 s TYR 274 Cb 0.20 -2.87 -0.01 0.00 0.35 0.00 0.00 41.96 39.63 2vg3 s TYR 274 CO 0.44 0.01 0.42 0.16 -1.34 0.00 0.00 175.55 175.23 2vg3 s ASP 275 N -1.99 0.52 0.58 4.32 1.47 -1.26 -4.87 116.67 115.45 2vg3 s ASP 275 Ca 0.58 -1.31 0.28 0.00 1.18 0.00 0.00 52.55 53.28 2vg3 s ASP 275 Cb -0.12 0.60 1.72 0.00 -0.34 0.00 0.00 42.92 44.78 2vg3 s ASP 275 CO 0.17 -1.18 2.20 0.08 0.68 0.00 0.00 175.17 177.11 2vg3 h ARG 276 N 2.23 0.00 -0.02 2.11 0.11 -1.92 0.11 114.38 117.00 2vg3 h ARG 276 Ca -0.29 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 59.73 2vg3 h ARG 276 Cb 1.24 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.32 2vg3 h ARG 276 CO 0.40 0.00 -0.28 0.00 0.10 0.00 0.00 179.97 180.19 2vg3 h ARG 277 N 0.00 0.03 -0.21 0.08 3.08 -1.95 -1.01 114.38 114.40 2vg3 h ARG 277 Ca 0.03 -0.01 -0.19 0.00 0.07 0.00 0.00 59.98 59.88 2vg3 h ARG 277 Cb 0.16 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.21 2vg3 h ARG 277 CO -0.00 0.31 -0.62 -0.44 -1.07 0.00 0.00 179.97 178.16 2vg3 h ASP 278 N 0.03 0.80 -0.35 7.04 3.32 -1.19 -0.67 116.42 125.41 2vg3 h ASP 278 Ca 0.00 -0.46 -0.00 0.00 0.02 0.00 0.00 57.03 56.60 2vg3 h ASP 278 Cb 0.51 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 2vg3 h ASP 278 CO 0.04 1.22 0.21 0.25 -1.72 0.00 0.00 179.24 179.24 2vg3 h LEU 279 N 0.52 0.41 -0.43 1.55 5.85 -1.38 -2.47 115.31 119.37 2vg3 h LEU 279 Ca -0.01 -0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.68 2vg3 h LEU 279 Cb 1.20 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.11 2vg3 h LEU 279 CO 0.12 0.33 0.28 -0.50 -0.34 0.00 0.00 178.44 178.33 2vg3 h TRP 280 N 0.45 0.53 -0.53 1.25 6.55 -1.08 -1.67 115.95 121.45 2vg3 h TRP 280 Ca 0.12 0.01 0.09 0.00 0.95 0.00 0.00 58.89 60.06 2vg3 h TRP 280 Cb -0.01 -0.18 -0.07 0.00 -0.86 0.00 0.00 29.16 28.04 2vg3 h TRP 280 CO -0.04 0.33 0.14 0.00 -1.05 0.00 0.00 178.44 177.82 2vg3 h ALA 281 N 1.16 0.63 -0.50 1.49 0.00 -0.92 -0.03 119.26 121.09 2vg3 h ALA 281 Ca 0.16 0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 2vg3 h ALA 281 Cb -0.06 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2vg3 h ALA 281 CO -0.04 -0.27 0.11 0.00 0.00 0.00 0.00 179.25 179.06 2vg3 h ALA 282 N 1.39 0.66 -0.29 0.00 0.00 -1.18 -1.91 119.26 117.92 2vg3 h ALA 282 Ca 0.27 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 2vg3 h ALA 282 Cb 0.35 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2vg3 h ALA 282 CO -0.32 0.36 -0.15 0.00 0.00 0.00 0.00 179.25 179.14 2vg3 h GLU 284 N 0.46 0.77 -0.47 0.00 4.81 -0.84 0.26 114.58 119.56 2vg3 h GLU 284 Ca 0.08 -0.40 0.04 0.00 -0.13 0.00 0.00 59.36 58.95 2vg3 h GLU 284 Cb 0.53 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.88 2vg3 h GLU 284 CO 0.03 1.03 0.23 1.49 -0.73 0.00 0.00 179.01 181.06 2vg3 h GLU 285 N 0.54 0.44 -0.30 1.92 4.81 -1.08 0.73 114.58 121.64 2vg3 h GLU 285 Ca 0.05 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2vg3 h GLU 285 Cb 0.88 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.15 2vg3 h GLU 285 CO 0.08 0.29 0.20 -0.92 -0.73 0.00 0.00 179.01 177.92 2vg3 h TYR 286 N 0.45 0.38 -0.21 0.92 3.20 -1.03 -3.16 116.97 117.52 2vg3 h TYR 286 Ca 0.21 0.01 -0.20 0.00 3.14 0.00 0.00 58.73 61.89 2vg3 h TYR 286 Cb 0.14 -0.13 0.01 0.00 1.54 0.00 0.00 36.73 38.29 2vg3 h TYR 286 CO -0.11 0.24 -0.67 0.00 -1.64 0.00 0.00 178.16 175.97 2vg3 h ALA 287 N 1.11 0.36 0.00 1.82 0.00 -0.47 -3.25 119.26 118.84 2vg3 h ALA 287 Ca 0.11 -0.56 -0.09 0.00 0.00 0.00 0.00 54.91 54.37 2vg3 h ALA 287 Cb -0.04 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2vg3 h ALA 287 CO -0.03 0.66 -0.42 0.77 0.00 0.00 0.00 179.25 180.24 2vg3 h SER 288 N 0.57 0.00 -3.96 0.00 0.02 -0.95 -3.46 113.55 105.78 2vg3 h SER 288 Ca -0.03 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.39 2vg3 h SER 288 Cb 1.29 0.00 0.11 0.00 0.14 0.00 0.00 62.40 63.94 2vg3 h SER 288 CO 0.14 0.42 0.72 -0.60 -1.14 0.00 0.00 176.83 176.37 2vg3 s ARG 289 N -3.42 3.89 0.19 3.45 3.52 -1.19 -4.93 118.95 120.46 2vg3 s ARG 289 Ca 0.01 2.44 -0.32 0.00 -0.13 0.00 0.00 55.73 57.73 2vg3 s ARG 289 Cb 0.10 -2.79 -0.11 0.00 -1.56 0.00 0.00 34.95 30.58 2vg3 s ARG 289 CO 0.70 -0.66 1.70 0.99 -0.81 0.00 0.00 175.30 177.22 2vg3 s THR 290 N -1.18 2.24 -0.79 4.11 2.01 -1.26 -4.91 115.64 115.87 2vg3 s THR 290 Ca 0.57 0.13 -0.23 0.00 0.31 0.00 0.00 61.69 62.47 2vg3 s THR 290 Cb -0.44 -3.09 0.06 0.00 0.01 0.00 0.00 72.50 69.05 2vg3 s THR 290 CO 0.58 0.01 1.17 -0.13 -0.69 0.00 0.00 174.62 175.56 2vg3 s ARG 291 N 1.37 3.29 0.81 4.92 1.81 -1.26 -5.00 118.95 124.89 2vg3 s ARG 291 Ca 0.74 -0.84 -0.12 0.00 -1.72 0.00 0.00 55.73 53.80 2vg3 s ARG 291 Cb -0.48 -4.51 0.08 0.00 -0.45 0.00 0.00 34.95 29.59 2vg3 s ARG 291 CO 0.32 -1.98 1.11 1.03 -0.68 0.00 0.00 175.30 175.10 2vg3 s ARG 292 N 4.54 1.97 0.29 3.54 0.52 -1.26 -4.89 118.95 123.66 2vg3 s ARG 292 Ca 0.32 0.55 -0.29 0.00 -0.52 0.00 0.00 55.73 55.79 2vg3 s ARG 292 Cb -0.09 -1.91 -0.14 0.00 0.52 0.00 0.00 34.95 33.33 2vg3 s ARG 292 CO 0.05 -1.68 1.12 0.34 0.02 0.00 0.00 175.30 175.16 2vg3 n PHE 293 N -3.46 1.60 -2.54 -0.53 7.35 -1.26 -2.17 117.46 116.45 2vg3 n PHE 293 Ca 0.07 0.64 -0.07 0.00 -0.76 0.00 0.00 57.45 57.34 2vg3 n PHE 293 Cb 0.57 -2.31 0.03 0.00 0.35 0.00 0.00 39.48 38.13 2vg3 n PHE 293 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2vg3 n GLY 294 N 1.23 0.13 3.58 7.13 0.00 -1.26 -5.06 105.19 110.93 2vg3 n GLY 294 Ca 0.09 -0.24 -0.02 0.00 0.00 0.00 0.00 46.02 45.85 2vg3 n GLY 294 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2vg3 s SER 295 N -3.52 -0.70 0.00 1.61 1.04 -0.92 -5.19 113.70 106.02 2vg3 s SER 295 Ca 0.01 1.05 0.30 0.00 0.48 0.00 0.00 55.95 57.78 2vg3 s SER 295 Cb -0.00 1.54 1.43 0.00 0.10 0.00 0.00 66.02 69.09 2vg3 s SER 295 CO 0.29 -0.16 1.96 0.00 0.98 0.00 0.00 173.24 176.31