#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vg3 s GLN 15 N 0.00 3.40 0.35 0.54 1.11 -1.26 -4.45 119.66 119.36 2vg3 s GLN 15 Ca 0.00 1.25 -0.28 0.00 0.01 0.00 0.00 55.36 56.34 2vg3 s GLN 15 Cb 0.00 -2.04 -0.10 0.00 -1.01 0.00 0.00 33.01 29.86 2vg3 s GLN 15 CO 0.00 -0.75 1.36 -0.51 0.01 0.00 0.00 175.29 175.40 2vg3 s LEU 16 N -4.29 4.37 0.99 2.90 1.43 0.60 -4.98 118.68 119.70 2vg3 s LEU 16 Ca 0.65 2.79 -0.11 0.00 -1.03 0.00 0.00 54.13 56.43 2vg3 s LEU 16 Cb -0.16 -3.68 0.19 0.00 0.03 0.00 0.00 46.19 42.56 2vg3 s LEU 16 CO 0.33 -0.67 1.09 -2.84 0.23 0.00 0.00 176.35 174.49 2vg3 s PRO 17 N -1.94 0.43 0.34 1.29 0.02 -1.26 -4.87 135.00 129.01 2vg3 s PRO 17 Ca 0.51 1.16 -0.28 0.00 0.02 0.00 0.00 61.00 62.41 2vg3 s PRO 17 Cb -0.42 -1.69 -0.12 0.00 0.02 0.00 0.00 34.50 32.29 2vg3 s PRO 17 CO 0.56 -2.91 1.27 -2.30 -0.33 0.00 0.00 177.00 173.29 2vg3 n PRO 18 N -4.38 2.08 -1.33 5.54 -0.02 -1.26 -4.96 135.00 130.67 2vg3 n PRO 18 Ca 0.08 0.73 -0.32 0.00 -2.02 0.00 0.00 63.50 61.97 2vg3 n PRO 18 Cb 0.53 -2.30 0.09 0.00 -0.02 0.00 0.00 33.50 31.80 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 -1.09 2.18 0.48 3.55 0.00 -1.26 -5.02 121.76 120.59 2vg3 s ALA 19 Ca 0.56 0.47 -0.22 0.00 0.00 0.00 0.00 51.96 52.77 2vg3 s ALA 19 Cb -0.57 -3.34 -0.07 0.00 0.00 0.00 0.00 23.12 19.13 2vg3 s ALA 19 CO 0.62 -1.80 1.10 -1.25 0.00 0.00 0.00 175.76 174.44 2vg3 s PRO 20 N -4.52 3.73 0.55 0.00 0.04 -1.26 -4.92 135.00 128.62 2vg3 s PRO 20 Ca 0.65 1.59 0.28 0.00 0.04 0.00 0.00 61.00 63.56 2vg3 s PRO 20 Cb -0.20 -2.25 1.46 0.00 0.04 0.00 0.00 34.50 33.55 2vg3 s PRO 20 CO 0.51 -0.53 1.95 0.22 0.04 0.00 0.00 177.00 179.19 2vg3 h ASP 21 N 1.78 0.00 1.07 6.66 1.82 -2.00 0.23 116.42 125.98 2vg3 h ASP 21 Ca -0.49 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.13 2vg3 h ASP 21 Cb 1.24 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 41.25 2vg3 h ASP 21 CO 0.59 0.00 -0.10 -0.78 -1.61 0.00 0.00 179.24 177.35 2vg3 h ASP 22 N 0.00 0.00 -3.94 2.28 1.82 -2.04 -3.47 116.42 111.07 2vg3 h ASP 22 Ca 0.28 0.00 -0.53 0.00 -0.39 0.00 0.00 57.03 56.39 2vg3 h ASP 22 Cb 1.23 0.00 0.09 0.00 0.68 0.00 0.00 39.33 41.32 2vg3 h ASP 22 CO -0.00 0.10 0.65 -0.47 -1.61 0.00 0.00 179.24 177.91 2vg3 s TYR 23 N -3.62 2.78 0.69 0.28 5.04 0.82 -4.93 117.35 118.42 2vg3 s TYR 23 Ca 0.01 1.35 -0.17 0.00 -2.44 0.00 0.00 57.07 55.83 2vg3 s TYR 23 Cb 0.09 -3.76 0.01 0.00 0.35 0.00 0.00 41.96 38.65 2vg3 s TYR 23 CO 0.59 -2.29 1.26 -2.14 -1.34 0.00 0.00 175.55 171.63 2vg3 s PRO 24 N -2.15 2.34 0.39 4.97 0.02 -1.26 -4.69 135.00 134.61 2vg3 s PRO 24 Ca 0.55 1.94 0.08 0.00 0.02 0.00 0.00 61.00 63.59 2vg3 s PRO 24 Cb -0.40 -1.83 -0.06 0.00 0.02 0.00 0.00 34.50 32.23 2vg3 s PRO 24 CO 0.53 -1.73 0.12 0.95 -0.33 0.00 0.00 177.00 176.54 2vg3 s THR 25 N -1.64 2.40 -0.17 0.99 -4.23 -1.26 -0.56 115.64 111.16 2vg3 s THR 25 Ca 0.79 -1.80 -0.28 0.00 -1.18 0.00 0.00 61.69 59.22 2vg3 s THR 25 Cb -0.34 -2.95 0.09 0.00 1.34 0.00 0.00 72.50 70.64 2vg3 s THR 25 CO 0.42 -0.06 0.82 0.12 -0.54 0.00 0.00 174.62 175.38 2vg3 s PHE 26 N -2.58 -0.60 0.10 3.99 5.36 0.25 -4.64 117.98 119.85 2vg3 s PHE 26 Ca 0.39 1.24 -0.11 0.00 -0.96 0.00 0.00 56.93 57.49 2vg3 s PHE 26 Cb 0.03 0.37 -0.06 0.00 -0.34 0.00 0.00 43.02 43.03 2vg3 s PHE 26 CO 0.21 -0.43 0.44 -1.25 -1.46 0.00 0.00 175.22 172.73 2vg3 s PRO 27 N -0.52 3.81 -0.64 10.12 0.04 -1.26 -1.80 135.00 144.75 2vg3 s PRO 27 Ca -0.04 0.24 -0.18 0.00 0.04 0.00 0.00 61.00 61.07 2vg3 s PRO 27 Cb -0.02 -2.97 0.13 0.00 0.04 0.00 0.00 34.50 31.68 2vg3 s PRO 27 CO 0.03 0.53 0.70 0.34 0.04 0.00 0.00 177.00 178.64 2vg3 s ASP 28 N -1.78 6.29 -0.20 6.66 -1.08 -1.26 -4.78 116.67 120.52 2vg3 s ASP 28 Ca 0.35 -1.72 0.05 0.00 -0.52 0.00 0.00 52.55 50.70 2vg3 s ASP 28 Cb -0.14 -2.28 0.41 0.00 -1.46 0.00 0.00 42.92 39.45 2vg3 s ASP 28 CO 0.19 -0.99 1.37 0.35 0.52 0.00 0.00 175.17 176.61 2vg3 n THR 29 N 5.28 1.93 0.70 1.71 -2.24 -1.26 -3.92 114.28 116.47 2vg3 n THR 29 Ca -0.05 -0.94 0.09 0.00 -2.27 0.00 0.00 64.05 60.88 2vg3 n THR 29 Cb 0.43 -0.56 0.42 0.00 -2.10 0.00 0.00 70.33 68.52 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 -0.08 0.00 -4.07 3.42 3.41 -1.26 -4.78 113.62 110.26 2vg3 n SER 30 Ca 0.26 0.45 -0.14 0.00 -0.26 0.00 0.00 58.87 59.17 2vg3 n SER 30 Cb 0.99 -0.48 -0.12 0.00 -0.26 0.00 0.00 64.21 64.35 2vg3 n SER 30 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2vg3 s THR 31 N -2.95 0.63 -0.03 6.66 2.01 -1.25 -5.15 115.64 115.55 2vg3 s THR 31 Ca 0.10 -1.01 0.02 0.00 0.31 0.00 0.00 61.69 61.11 2vg3 s THR 31 Cb 0.13 -0.66 0.01 0.00 0.01 0.00 0.00 72.50 71.99 2vg3 s THR 31 CO 0.35 -0.29 -0.06 0.86 -0.69 0.00 0.00 174.62 174.79 2vg3 s TRP 32 N -1.20 0.71 0.51 4.92 -0.00 -1.26 -3.51 118.94 119.12 2vg3 s TRP 32 Ca -0.07 -0.17 -0.23 0.00 -0.00 0.00 0.00 56.10 55.63 2vg3 s TRP 32 Cb -0.09 -0.56 -0.06 0.00 -0.00 0.00 0.00 33.47 32.76 2vg3 s TRP 32 CO 0.01 -0.11 1.35 -2.14 -0.00 0.00 0.00 176.95 176.06 2vg3 s PRO 33 N 0.44 3.33 0.33 5.86 0.02 -1.26 -5.09 135.00 138.63 2vg3 s PRO 33 Ca -0.06 2.23 -0.29 0.00 0.02 0.00 0.00 61.00 62.90 2vg3 s PRO 33 Cb -0.10 -2.37 -0.11 0.00 0.02 0.00 0.00 34.50 31.95 2vg3 s PRO 33 CO 0.00 -1.04 1.52 0.08 -0.33 0.00 0.00 177.00 177.24 2vg3 s VAL 34 N -1.30 2.13 -0.21 3.83 1.01 -1.23 -4.96 120.40 119.67 2vg3 s VAL 34 Ca 0.68 0.12 -0.19 0.00 0.00 0.00 0.00 61.98 62.59 2vg3 s VAL 34 Cb -0.40 -3.07 -0.03 0.00 0.00 0.00 0.00 36.38 32.88 2vg3 s VAL 34 CO 0.48 0.02 0.55 -0.69 0.00 0.00 0.00 175.10 175.47 2vg3 s VAL 35 N -0.54 5.08 0.07 2.92 1.01 -1.26 -5.04 120.40 122.63 2vg3 s VAL 35 Ca 0.58 1.01 -0.30 0.00 0.00 0.00 0.00 61.98 63.26 2vg3 s VAL 35 Cb -0.46 -3.87 -0.05 0.00 0.00 0.00 0.00 36.38 32.00 2vg3 s VAL 35 CO 0.54 0.15 1.08 0.12 0.00 0.00 0.00 175.10 177.00 2vg3 s PHE 36 N 1.78 3.58 0.64 5.22 5.36 -1.26 -4.72 117.98 128.57 2vg3 s PHE 36 Ca 0.25 1.54 -0.16 0.00 -0.96 0.00 0.00 56.93 57.60 2vg3 s PHE 36 Cb -0.16 -3.26 -0.01 0.00 -0.34 0.00 0.00 43.02 39.26 2vg3 s PHE 36 CO 0.10 -0.59 1.12 -1.25 -1.46 0.00 0.00 175.22 173.14 2vg3 s PRO 37 N 0.68 2.88 0.19 10.12 0.04 -1.26 -4.99 135.00 142.66 2vg3 s PRO 37 Ca 0.54 1.48 -0.30 0.00 0.04 0.00 0.00 61.00 62.76 2vg3 s PRO 37 Cb -0.26 -1.95 -0.09 0.00 0.04 0.00 0.00 34.50 32.24 2vg3 s PRO 37 CO 0.30 -1.20 1.30 -2.00 0.04 0.00 0.00 177.00 175.43 2vg3 s GLU 38 N -3.87 4.40 -0.07 4.56 2.12 -1.26 -5.04 118.70 119.54 2vg3 s GLU 38 Ca 0.69 2.03 0.04 0.00 0.36 0.00 0.00 54.97 58.09 2vg3 s GLU 38 Cb -0.22 -3.20 -0.02 0.00 0.26 0.00 0.00 34.13 30.95 2vg3 s GLU 38 CO 0.38 -0.24 -0.18 -0.51 -0.54 0.00 0.00 175.26 174.18 2vg3 s LEU 39 N -0.10 2.51 0.60 2.70 1.43 -1.26 -4.85 118.68 119.71 2vg3 s LEU 39 Ca 0.56 -0.33 -0.18 0.00 -1.03 0.00 0.00 54.13 53.16 2vg3 s LEU 39 Cb -0.36 -1.50 -0.06 0.00 0.03 0.00 0.00 46.19 44.29 2vg3 s LEU 39 CO 0.38 0.28 0.73 -2.65 0.23 0.00 0.00 176.35 175.32 2vg3 n PRO 40 N 2.74 0.65 -0.22 1.29 -0.02 -1.26 -4.89 135.00 133.29 2vg3 n PRO 40 Ca -0.17 0.26 -0.00 0.00 -2.02 0.00 0.00 63.50 61.56 2vg3 n PRO 40 Cb 0.52 -1.93 0.11 0.00 -0.02 0.00 0.00 33.50 32.18 2vg3 n PRO 40 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2vg3 h ALA 41 N 0.27 0.88 -6.69 3.55 0.00 -2.00 -3.46 119.26 111.82 2vg3 h ALA 41 Ca -0.47 0.05 -0.54 0.00 0.00 0.00 0.00 54.91 53.95 2vg3 h ALA 41 Cb 1.38 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 19.14 2vg3 h ALA 41 CO 0.48 -0.08 -0.98 0.00 0.00 0.00 0.00 179.25 178.68 2vg3 n ALA 42 N -2.41 -2.53 -1.93 0.00 0.00 -1.26 -4.75 120.51 107.63 2vg3 n ALA 42 Ca 0.09 -0.45 -0.29 0.00 0.00 0.00 0.00 53.44 52.79 2vg3 n ALA 42 Cb 0.24 -3.00 0.16 0.00 0.00 0.00 0.00 19.45 16.85 2vg3 n ALA 42 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2vg3 s PRO 43 N -6.91 1.05 -0.24 0.00 0.04 -1.26 -4.48 135.00 123.19 2vg3 s PRO 43 Ca 0.44 -0.34 0.12 0.00 0.04 0.00 0.00 61.00 61.26 2vg3 s PRO 43 Cb -0.21 -1.91 0.49 0.00 0.04 0.00 0.00 34.50 32.90 2vg3 s PRO 43 CO 0.93 -2.13 1.41 0.66 0.04 0.00 0.00 177.00 177.91 2vg3 n TYR 44 N -3.58 0.89 -1.95 0.56 4.01 -1.26 -4.96 117.16 110.87 2vg3 n TYR 44 Ca 0.13 -1.37 -0.36 0.00 -0.16 0.00 0.00 57.90 56.15 2vg3 n TYR 44 Cb 0.60 -0.40 0.04 0.00 -0.31 0.00 0.00 39.34 39.26 2vg3 n TYR 44 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2vg3 n GLY 45 N -1.00 5.71 7.00 2.72 0.00 -1.26 -5.03 105.19 113.32 2vg3 n GLY 45 Ca 0.28 -2.52 0.00 0.00 0.00 0.00 0.00 46.02 43.78 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 -0.59 2.93 3.61 -0.02 0.00 -1.26 -4.94 105.19 104.92 2vg3 n GLY 46 Ca 0.52 -0.03 -0.45 0.00 0.00 0.00 0.00 46.02 46.06 2vg3 n GLY 46 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2vg3 n PRO 47 N 9.43 1.51 -2.39 1.61 -0.04 -1.26 -4.84 135.00 139.02 2vg3 n PRO 47 Ca 0.00 0.53 -0.36 0.00 -0.04 0.00 0.00 63.50 63.63 2vg3 n PRO 47 Cb 0.00 -1.98 -0.02 0.00 -0.04 0.00 0.00 33.50 31.46 2vg3 n PRO 47 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2vg3 s ARG 49 N -2.90 4.24 0.63 0.00 3.52 -1.26 -4.64 118.95 118.54 2vg3 s ARG 49 Ca 0.65 2.24 -0.19 0.00 -0.13 0.00 0.00 55.73 58.31 2vg3 s ARG 49 Cb -0.23 -3.36 -0.02 0.00 -1.56 0.00 0.00 34.95 29.78 2vg3 s ARG 49 CO 0.28 -0.60 1.29 -2.30 -0.81 0.00 0.00 175.30 173.16 2vg3 n PRO 50 N 4.62 1.20 -1.70 5.12 -0.02 -1.26 -4.94 135.00 138.02 2vg3 n PRO 50 Ca 0.14 0.47 -0.37 0.00 -2.02 0.00 0.00 63.50 61.71 2vg3 n PRO 50 Cb 0.41 -2.53 0.07 0.00 -0.02 0.00 0.00 33.50 31.43 2vg3 n PRO 50 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2vg3 n PRO 51 N -1.72 1.06 -0.99 0.52 -0.04 -1.26 -4.98 135.00 127.59 2vg3 n PRO 51 Ca 0.15 0.42 -0.31 0.00 -0.04 0.00 0.00 63.50 63.72 2vg3 n PRO 51 Cb 0.47 -2.49 0.13 0.00 -0.04 0.00 0.00 33.50 31.58 2vg3 n PRO 51 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 2vg3 s GLN 52 N -3.32 1.60 0.57 0.54 0.74 0.27 -4.72 119.66 115.34 2vg3 s GLN 52 Ca 0.82 1.32 -0.18 0.00 0.05 0.00 0.00 55.36 57.37 2vg3 s GLN 52 Cb -0.38 -1.81 -0.04 0.00 1.10 0.00 0.00 33.01 31.87 2vg3 s GLN 52 CO 0.41 -2.15 1.11 -1.58 -0.55 0.00 0.00 175.29 172.52 2vg3 s HIS 53 N -2.78 2.73 0.33 1.67 5.65 -1.26 -0.59 115.29 121.04 2vg3 s HIS 53 Ca 0.64 1.55 0.11 0.00 0.25 0.00 0.00 55.06 57.61 2vg3 s HIS 53 Cb -0.20 -3.20 1.01 0.00 -1.18 0.00 0.00 32.58 29.01 2vg3 s HIS 53 CO 0.57 -1.47 1.63 1.15 -0.65 0.00 0.00 174.74 175.97 2vg3 h THR 54 N 0.86 0.19 0.00 0.89 2.02 -1.66 0.47 112.91 115.68 2vg3 h THR 54 Ca -0.49 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 66.63 2vg3 h THR 54 Cb 1.25 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.66 2vg3 h THR 54 CO 0.56 0.03 0.00 0.77 0.37 0.00 0.00 175.52 177.26 2vg3 h SER 55 N 0.18 0.00 -1.95 4.18 4.64 -1.91 -3.47 113.55 115.22 2vg3 h SER 55 Ca 0.70 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 61.66 2vg3 h SER 55 Cb 1.62 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.65 2vg3 h SER 55 CO -0.70 0.00 -0.41 0.29 -0.87 0.00 0.00 176.83 175.14 2vg3 n LYS 56 N -2.91 -1.36 -2.21 4.77 5.02 0.17 -5.00 118.16 116.64 2vg3 n LYS 56 Ca 0.00 0.96 -0.36 0.00 -2.02 0.00 0.00 58.31 56.89 2vg3 n LYS 56 Cb 0.26 -5.36 0.01 0.00 -0.02 0.00 0.00 35.03 29.91 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 -2.81 2.74 -0.03 7.82 0.00 -1.26 -4.95 121.76 123.27 2vg3 s ALA 57 Ca 0.00 0.90 -0.03 0.00 0.00 0.00 0.00 51.96 52.82 2vg3 s ALA 57 Cb 0.00 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.69 2vg3 s ALA 57 CO 0.00 -0.82 0.17 0.00 0.00 0.00 0.00 175.76 175.11 2vg3 s ALA 58 N -1.67 3.92 0.35 0.00 0.00 -1.26 -4.66 121.76 118.43 2vg3 s ALA 58 Ca 0.71 -0.75 -0.28 0.00 0.00 0.00 0.00 51.96 51.65 2vg3 s ALA 58 Cb -0.27 -1.88 -0.10 0.00 0.00 0.00 0.00 23.12 20.88 2vg3 s ALA 58 CO 0.30 0.72 1.27 0.00 0.00 0.00 0.00 175.76 178.05 2vg3 s ALA 59 N -1.26 3.41 0.60 0.00 0.00 -1.26 -5.00 121.76 118.25 2vg3 s ALA 59 Ca 0.25 1.19 -0.17 0.00 0.00 0.00 0.00 51.96 53.23 2vg3 s ALA 59 Cb -0.12 -3.45 -0.03 0.00 0.00 0.00 0.00 23.12 19.51 2vg3 s ALA 59 CO 0.16 -0.61 1.09 -1.25 0.00 0.00 0.00 175.76 175.15 2vg3 s PRO 60 N -1.89 3.15 -1.20 0.00 0.04 -1.26 -4.93 135.00 128.91 2vg3 s PRO 60 Ca 0.51 1.38 -0.16 0.00 0.04 0.00 0.00 61.00 62.76 2vg3 s PRO 60 Cb -0.38 -2.00 0.12 0.00 0.04 0.00 0.00 34.50 32.29 2vg3 s PRO 60 CO 0.49 -0.97 1.51 1.03 0.04 0.00 0.00 177.00 179.10 2vg3 s ARG 61 N -3.86 3.96 -0.25 4.56 0.52 -1.26 -4.90 118.95 117.73 2vg3 s ARG 61 Ca 0.67 -2.18 -0.14 0.00 -0.52 0.00 0.00 55.73 53.57 2vg3 s ARG 61 Cb -0.19 -5.24 -0.04 0.00 0.52 0.00 0.00 34.95 30.00 2vg3 s ARG 61 CO 0.35 -1.97 0.31 0.42 0.02 0.00 0.00 175.30 174.43 2vg3 s ILE 62 N 2.89 5.24 0.63 1.52 1.01 -1.26 -5.07 121.20 126.16 2vg3 s ILE 62 Ca 0.46 0.46 -0.18 0.00 0.00 0.00 0.00 60.65 61.39 2vg3 s ILE 62 Cb -0.00 -3.64 -0.02 0.00 0.01 0.00 0.00 42.46 38.81 2vg3 s ILE 62 CO 0.01 0.23 1.23 -2.16 0.00 0.00 0.00 174.94 174.26 2vg3 s PRO 63 N 1.63 2.73 0.34 2.79 0.04 -1.26 -4.80 135.00 136.47 2vg3 s PRO 63 Ca 0.13 1.89 0.07 0.00 0.04 0.00 0.00 61.00 63.13 2vg3 s PRO 63 Cb -0.15 -1.89 0.75 0.00 0.04 0.00 0.00 34.50 33.25 2vg3 s PRO 63 CO 0.09 -1.42 1.87 0.00 0.04 0.00 0.00 177.00 177.58 2vg3 h ALA 64 N 0.61 1.75 0.00 8.56 0.00 -1.97 -1.19 119.26 127.02 2vg3 h ALA 64 Ca -0.50 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2vg3 h ALA 64 Cb 1.31 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2vg3 h ALA 64 CO 0.54 0.03 0.00 -0.40 0.00 0.00 0.00 179.25 179.41 2vg3 n ASP 65 N -4.56 0.00 0.00 0.00 5.75 -1.26 -2.52 116.55 113.96 2vg3 n ASP 65 Ca 0.17 -0.58 0.00 0.00 -0.01 0.00 0.00 54.79 54.36 2vg3 n ASP 65 Cb 0.41 -0.11 0.00 0.00 -1.03 0.00 0.00 41.12 40.39 2vg3 n ASP 65 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2vg3 n ARG 66 N -1.11 1.03 -3.12 0.11 5.12 -0.50 -5.05 116.66 113.13 2vg3 n ARG 66 Ca 0.18 -0.93 -0.39 0.00 -1.93 0.00 0.00 57.85 54.78 2vg3 n ARG 66 Cb 0.14 -0.92 -0.06 0.00 -1.16 0.00 0.00 32.46 30.47 2vg3 n ARG 66 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 2vg3 s LEU 67 N -0.47 4.53 0.04 0.55 2.96 -0.86 -4.07 118.68 121.36 2vg3 s LEU 67 Ca 0.00 1.41 -0.30 0.00 -0.22 0.00 0.00 54.13 55.02 2vg3 s LEU 67 Cb 0.00 -3.09 -0.05 0.00 0.50 0.00 0.00 46.19 43.55 2vg3 s LEU 67 CO 0.00 0.20 1.18 -2.16 -1.32 0.00 0.00 176.35 174.25 2vg3 s PRO 68 N -0.88 4.43 0.11 0.98 0.04 -1.26 -4.93 135.00 133.49 2vg3 s PRO 68 Ca 0.33 1.73 -0.18 0.00 0.04 0.00 0.00 61.00 62.92 2vg3 s PRO 68 Cb -0.21 -3.38 -0.05 0.00 0.04 0.00 0.00 34.50 30.90 2vg3 s PRO 68 CO 0.22 -0.26 1.66 -0.97 0.04 0.00 0.00 177.00 177.68 2vg3 h ASN 69 N 6.88 0.40 -3.48 6.66 -1.24 -1.93 -3.41 115.58 119.46 2vg3 h ASN 69 Ca -0.41 -0.16 -0.59 0.00 0.71 0.00 0.00 56.30 55.85 2vg3 h ASN 69 Cb 1.21 -0.10 -0.38 0.00 0.73 0.00 0.00 38.32 39.78 2vg3 h ASN 69 CO 0.81 0.45 -0.79 -2.28 -1.29 0.00 0.00 177.43 174.34 2vg3 s HIS 70 N -5.57 2.10 -0.16 0.67 2.46 -1.26 -1.30 115.29 112.22 2vg3 s HIS 70 Ca -0.13 -1.47 -0.11 0.00 0.47 0.00 0.00 55.06 53.82 2vg3 s HIS 70 Cb 0.09 -1.47 -0.05 0.00 -0.13 0.00 0.00 32.58 31.02 2vg3 s HIS 70 CO 0.73 -0.71 0.19 0.08 -2.47 0.00 0.00 174.74 172.56 2vg3 s VAL 71 N 1.50 5.38 -0.12 0.89 1.01 -0.53 -0.97 120.40 127.56 2vg3 s VAL 71 Ca -0.03 0.33 0.01 0.00 0.00 0.00 0.00 61.98 62.29 2vg3 s VAL 71 Cb -0.17 -3.52 -0.01 0.00 0.00 0.00 0.00 36.38 32.68 2vg3 s VAL 71 CO -0.07 0.46 -0.14 0.00 0.00 0.00 0.00 175.10 175.35 2vg3 s ALA 72 N 0.07 2.57 -0.14 5.51 0.00 -0.02 -0.77 121.76 128.98 2vg3 s ALA 72 Ca 0.13 -0.90 0.02 0.00 0.00 0.00 0.00 51.96 51.20 2vg3 s ALA 72 Cb -0.12 -1.15 0.01 0.00 0.00 0.00 0.00 23.12 21.86 2vg3 s ALA 72 CO 0.02 0.27 -0.18 0.42 0.00 0.00 0.00 175.76 176.28 2vg3 s ILE 73 N 0.29 1.80 -0.44 0.00 1.01 0.30 0.05 121.20 124.21 2vg3 s ILE 73 Ca -0.11 -0.81 -0.20 0.00 0.00 0.00 0.00 60.65 59.53 2vg3 s ILE 73 Cb -0.16 -1.63 0.03 0.00 0.01 0.00 0.00 42.46 40.71 2vg3 s ILE 73 CO 0.06 0.50 0.62 -0.69 0.00 0.00 0.00 174.94 175.42 2vg3 s VAL 74 N 1.03 4.86 -0.20 2.92 1.01 0.38 -2.23 120.40 128.17 2vg3 s VAL 74 Ca -0.04 -0.00 -0.26 0.00 0.00 0.00 0.00 61.98 61.68 2vg3 s VAL 74 Cb -0.15 -4.19 -0.00 0.00 0.00 0.00 0.00 36.38 32.04 2vg3 s VAL 74 CO -0.05 -0.60 0.90 -0.04 0.00 0.00 0.00 175.10 175.31 2vg3 s MET 75 N 2.72 4.26 -0.02 2.72 1.00 -1.26 -2.92 119.30 125.80 2vg3 s MET 75 Ca 0.21 1.11 -0.08 0.00 0.00 0.00 0.00 55.69 56.92 2vg3 s MET 75 Cb -0.15 -3.61 0.01 0.00 0.00 0.00 0.00 34.83 31.08 2vg3 s MET 75 CO 0.18 -0.47 0.19 0.34 0.00 0.00 0.00 175.02 175.26 2vg3 s ASP 76 N 1.23 -0.08 0.00 3.03 2.15 -1.26 -4.93 116.67 116.80 2vg3 s ASP 76 Ca 0.39 0.03 0.00 0.00 0.43 0.00 0.00 52.55 53.40 2vg3 s ASP 76 Cb -0.16 0.29 0.00 0.00 -0.30 0.00 0.00 42.92 42.75 2vg3 s ASP 76 CO 0.09 -0.29 0.00 0.61 -0.17 0.00 0.00 175.17 175.41 2vg3 n GLY 77 N 1.89 1.24 0.24 2.66 0.00 -1.26 -1.51 105.19 108.45 2vg3 n GLY 77 Ca -0.19 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.10 1.61 2.35 -1.91 -1.21 115.58 117.05 2vg3 h ASN 78 Ca 0.00 -0.15 -0.02 0.00 -0.55 0.00 0.00 56.30 55.58 2vg3 h ASN 78 Cb 0.00 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 38.18 2vg3 h ASN 78 CO 0.00 0.69 0.00 1.23 -1.65 0.00 0.00 177.43 177.70 2vg3 h GLY 79 N 0.74 0.19 1.10 2.83 0.00 -1.91 -2.00 103.07 104.02 2vg3 h GLY 79 Ca 0.19 -0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.36 2vg3 h GLY 79 CO -0.02 0.13 0.48 3.21 0.00 0.00 0.00 176.54 180.33 2vg3 h ARG 80 N -0.09 1.18 -0.43 4.80 3.08 -1.97 -1.25 114.38 119.71 2vg3 h ARG 80 Ca 0.03 -0.13 0.01 0.00 0.07 0.00 0.00 59.98 59.96 2vg3 h ARG 80 Cb 0.34 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 2vg3 h ARG 80 CO 0.00 0.86 0.28 2.35 -1.07 0.00 0.00 179.97 182.39 2vg3 h TRP 81 N 1.19 0.53 -0.49 3.04 7.01 -1.11 -1.24 115.95 124.88 2vg3 h TRP 81 Ca 0.30 0.01 -0.09 0.00 2.11 0.00 0.00 58.89 61.22 2vg3 h TRP 81 Cb 0.01 -0.18 -0.02 0.00 -2.10 0.00 0.00 29.16 26.88 2vg3 h TRP 81 CO 0.01 0.33 -0.06 0.00 -2.79 0.00 0.00 178.44 175.93 2vg3 h ALA 82 N 1.17 0.67 -0.20 2.65 0.00 -0.94 -2.98 119.26 119.63 2vg3 h ALA 82 Ca 0.16 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 2vg3 h ALA 82 Cb -0.05 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2vg3 h ALA 82 CO -0.04 0.53 -0.15 1.15 0.00 0.00 0.00 179.25 180.74 2vg3 h THR 83 N 0.77 1.21 -0.65 0.00 2.02 -1.02 0.65 112.91 115.89 2vg3 h THR 83 Ca 0.13 -0.93 0.07 0.00 0.77 0.00 0.00 66.41 66.45 2vg3 h THR 83 Cb 0.59 1.22 -0.04 0.00 -1.74 0.00 0.00 68.15 68.19 2vg3 h THR 83 CO 0.04 0.29 0.43 1.56 0.37 0.00 0.00 175.52 178.21 2vg3 h GLN 84 N 0.31 0.60 -0.46 6.66 4.20 -1.06 -2.75 115.11 122.61 2vg3 h GLN 84 Ca 0.06 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.73 2vg3 h GLN 84 Cb 0.45 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.10 2vg3 h GLN 84 CO 0.03 0.40 0.00 0.54 -0.67 0.00 0.00 178.83 179.13 2vg3 n ARG 85 N -4.48 3.26 -2.79 1.46 1.74 -0.93 -4.96 116.66 109.97 2vg3 n ARG 85 Ca 0.10 -2.62 -0.17 0.00 -0.77 0.00 0.00 57.85 54.39 2vg3 n ARG 85 Cb 0.26 -1.69 0.02 0.00 -1.02 0.00 0.00 32.46 30.03 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 0.52 -0.21 3.65 -0.13 0.00 -0.99 -5.01 105.19 103.02 2vg3 n GLY 86 Ca 0.20 -0.12 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 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 -5.04 3.24 0.51 0.99 1.43 0.18 -5.01 118.68 114.98 2vg3 s LEU 87 Ca 0.21 -0.55 -0.22 0.00 -1.03 0.00 0.00 54.13 52.54 2vg3 s LEU 87 Cb -0.09 -1.81 -0.06 0.00 0.03 0.00 0.00 46.19 44.25 2vg3 s LEU 87 CO 0.26 0.03 1.24 0.00 0.23 0.00 0.00 176.35 178.12 2vg3 s ALA 88 N -2.09 2.85 0.50 4.21 0.00 -1.26 -3.99 121.76 121.99 2vg3 s ALA 88 Ca 0.30 1.09 0.35 0.00 0.00 0.00 0.00 51.96 53.71 2vg3 s ALA 88 Cb -0.08 -3.46 1.89 0.00 0.00 0.00 0.00 23.12 21.47 2vg3 s ALA 88 CO 0.19 -1.00 2.21 0.07 0.00 0.00 0.00 175.76 177.24 2vg3 h ARG 89 N 1.66 0.00 -0.96 0.00 0.11 -1.91 -0.93 114.38 112.34 2vg3 h ARG 89 Ca -0.50 0.00 0.03 0.00 0.10 0.00 0.00 59.98 59.61 2vg3 h ARG 89 Cb 1.27 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 32.30 2vg3 h ARG 89 CO 0.58 0.03 0.63 1.79 0.10 0.00 0.00 179.97 183.11 2vg3 h THR 90 N 0.00 1.17 -0.83 0.08 1.35 -1.94 -1.26 112.91 111.48 2vg3 h THR 90 Ca -0.00 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 2vg3 h THR 90 Cb 0.17 -0.15 -0.04 0.00 -1.73 0.00 0.00 68.15 66.40 2vg3 h THR 90 CO 0.00 0.22 0.52 -0.33 -0.25 0.00 0.00 175.52 175.69 2vg3 h GLU 91 N 1.21 1.11 -0.08 4.72 4.39 -1.53 0.83 114.58 125.23 2vg3 h GLU 91 Ca 0.38 -0.08 0.02 0.00 0.34 0.00 0.00 59.36 60.02 2vg3 h GLU 91 Cb 0.00 -0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 28.38 2vg3 h GLU 91 CO -0.12 0.76 -0.06 0.78 -1.16 0.00 0.00 179.01 179.21 2vg3 h GLY 92 N 1.15 0.00 1.02 -3.84 0.00 -1.28 -2.27 103.07 97.85 2vg3 h GLY 92 Ca 0.30 0.08 -0.02 0.00 0.00 0.00 0.00 47.33 47.69 2vg3 h GLY 92 CO -0.06 -0.08 0.42 0.45 0.00 0.00 0.00 176.54 177.27 2vg3 h HIS 93 N -0.08 1.09 -0.97 5.60 3.86 -0.76 -2.72 115.15 121.17 2vg3 h HIS 93 Ca 0.06 -0.03 0.03 0.00 -1.16 0.00 0.00 60.37 59.26 2vg3 h HIS 93 Cb 0.16 -0.35 -0.05 0.00 1.06 0.00 0.00 27.41 28.22 2vg3 h HIS 93 CO -0.17 0.77 0.63 0.87 0.86 0.00 0.00 177.93 180.89 2vg3 h LYS 94 N 1.09 1.20 0.00 2.45 1.57 -0.70 -2.25 116.57 119.94 2vg3 h LYS 94 Ca 0.28 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.93 2vg3 h LYS 94 Cb 0.05 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.08 2vg3 h LYS 94 CO -0.04 0.80 -0.26 0.52 -0.57 0.00 0.00 179.45 179.90 2vg3 h MET 95 N 1.24 0.00 0.00 3.15 2.86 -1.11 -2.84 114.93 118.23 2vg3 h MET 95 Ca 0.38 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.02 2vg3 h MET 95 Cb -0.03 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.63 2vg3 h MET 95 CO -0.11 0.26 0.00 0.41 1.06 0.00 0.00 176.91 178.52 2vg3 n GLY 96 N -0.02 -1.29 0.29 8.32 0.00 -0.85 -3.59 105.19 108.06 2vg3 n GLY 96 Ca -0.00 0.02 -0.15 0.00 0.00 0.00 0.00 46.02 45.88 2vg3 n GLY 96 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2vg3 h GLU 97 N 0.00 -0.65 -0.82 1.61 4.81 -1.52 -2.39 114.58 115.63 2vg3 h GLU 97 Ca 0.00 0.04 0.11 0.00 -0.13 0.00 0.00 59.36 59.38 2vg3 h GLU 97 Cb 0.40 0.15 -0.06 0.00 0.63 0.00 0.00 28.75 29.87 2vg3 h GLU 97 CO 0.00 -0.36 0.53 0.00 -0.73 0.00 0.00 179.01 178.45 2vg3 h ALA 98 N -0.45 1.78 -0.55 2.92 0.00 -1.76 -1.74 119.26 119.46 2vg3 h ALA 98 Ca -0.07 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 2vg3 h ALA 98 Cb 0.59 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2vg3 h ALA 98 CO 0.11 0.03 0.11 0.28 0.00 0.00 0.00 179.25 179.79 2vg3 h VAL 99 N 0.72 1.23 -0.06 0.00 2.07 -1.63 -0.25 116.25 118.33 2vg3 h VAL 99 Ca 0.39 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 67.05 2vg3 h VAL 99 Cb 0.52 0.69 -0.00 0.00 -1.52 0.00 0.00 31.29 30.98 2vg3 h VAL 99 CO -0.16 0.32 0.03 0.58 0.02 0.00 0.00 177.57 178.36 2vg3 h VAL 100 N 0.81 1.00 -0.60 2.57 2.07 -0.79 -1.39 116.25 119.92 2vg3 h VAL 100 Ca 0.18 -0.02 -0.09 0.00 0.82 0.00 0.00 66.70 67.58 2vg3 h VAL 100 Cb 0.33 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 2vg3 h VAL 100 CO 0.00 0.01 0.02 0.40 0.02 0.00 0.00 177.57 178.02 2vg3 h ILE 101 N 0.07 1.26 -0.68 4.57 1.08 -1.16 -1.58 117.51 121.06 2vg3 h ILE 101 Ca 0.02 -1.11 0.03 0.00 -0.39 0.00 0.00 64.86 63.41 2vg3 h ILE 101 Cb 0.00 0.78 -0.04 0.00 -3.07 0.00 0.00 36.82 34.48 2vg3 h ILE 101 CO -0.02 0.41 0.42 -0.78 -0.69 0.00 0.00 178.15 177.49 2vg3 h ASP 102 N 0.95 0.68 0.24 1.72 3.58 -0.93 -1.18 116.42 121.48 2vg3 h ASP 102 Ca 0.17 0.00 -0.15 0.00 0.42 0.00 0.00 57.03 57.48 2vg3 h ASP 102 Cb 0.52 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.42 2vg3 h ASP 102 CO 0.03 0.47 -0.57 0.40 -2.88 0.00 0.00 179.24 176.68 2vg3 h ILE 103 N 0.81 1.36 -0.03 2.25 5.03 -0.95 -0.66 117.51 125.33 2vg3 h ILE 103 Ca 0.28 -1.88 0.00 0.00 -0.12 0.00 0.00 64.86 63.14 2vg3 h ILE 103 Cb 0.04 1.90 -0.00 0.00 -3.03 0.00 0.00 36.82 35.73 2vg3 h ILE 103 CO -0.12 0.56 0.00 0.00 -0.68 0.00 0.00 178.15 177.92 2vg3 h ALA 104 N 1.14 0.02 -0.74 1.87 0.00 -0.92 0.25 119.26 120.88 2vg3 h ALA 104 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.95 2vg3 h ALA 104 Cb 1.08 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.83 2vg3 h ALA 104 CO 0.09 -0.49 0.46 0.00 0.00 0.00 0.00 179.25 179.32 2vg3 h GLY 106 N 0.90 0.50 1.02 0.00 0.00 -0.92 -1.34 103.07 103.23 2vg3 h GLY 106 Ca 0.30 -0.56 0.01 0.00 0.00 0.00 0.00 47.33 47.08 2vg3 h GLY 106 CO -0.11 0.50 0.64 0.00 0.00 0.00 0.00 176.54 177.57 2vg3 h ALA 107 N 1.09 1.26 -0.21 3.60 0.00 -0.28 -1.09 119.26 123.63 2vg3 h ALA 107 Ca 0.01 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 2vg3 h ALA 107 Cb 1.02 -0.40 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 2vg3 h ALA 107 CO 0.09 0.67 -0.25 0.82 0.00 0.00 0.00 179.25 180.58 2vg3 h ILE 108 N 1.35 1.33 -0.93 0.00 2.04 -1.09 -0.85 117.51 119.36 2vg3 h ILE 108 Ca 0.36 -1.43 0.05 0.00 1.00 0.00 0.00 64.86 64.84 2vg3 h ILE 108 Cb -0.13 1.77 -0.06 0.00 -0.74 0.00 0.00 36.82 37.66 2vg3 h ILE 108 CO -0.08 0.44 0.61 -0.33 0.00 0.00 0.00 178.15 178.79 2vg3 h GLU 109 N 0.22 1.10 0.02 2.37 5.08 -1.05 -2.86 114.58 119.45 2vg3 h GLU 109 Ca 0.03 -0.07 -0.22 0.00 -1.00 0.00 0.00 59.36 58.10 2vg3 h GLU 109 Cb 0.81 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 2vg3 h GLU 109 CO 0.06 0.73 -0.95 1.25 -1.00 0.00 0.00 179.01 179.10 2vg3 h LEU 110 N 1.14 0.43 0.00 1.33 5.85 -1.08 0.17 115.31 123.15 2vg3 h LEU 110 Ca 0.38 -0.36 0.00 0.00 0.84 0.00 0.00 57.88 58.74 2vg3 h LEU 110 Cb 0.08 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 40.97 2vg3 h LEU 110 CO -0.13 1.17 0.00 0.61 -0.34 0.00 0.00 178.44 179.75 2vg3 n GLY 111 N 0.99 1.27 3.74 3.75 0.00 -0.41 -4.03 105.19 110.50 2vg3 n GLY 111 Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 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 2.75 -0.07 -0.61 1.01 -0.72 -4.94 121.20 116.62 2vg3 s ILE 112 Ca 0.00 0.60 0.13 0.00 0.00 0.00 0.00 60.65 61.38 2vg3 s ILE 112 Cb 0.00 -3.39 -0.23 0.00 0.01 0.00 0.00 42.46 38.85 2vg3 s ILE 112 CO 0.00 0.08 0.58 0.29 0.00 0.00 0.00 174.94 175.89 2vg3 n LYS 113 N 2.79 0.64 -4.27 2.79 4.76 -1.16 -4.70 118.16 119.02 2vg3 n LYS 113 Ca 0.08 0.26 -0.19 0.00 -2.87 0.00 0.00 58.31 55.59 2vg3 n LYS 113 Cb 0.40 -1.76 -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 -2.58 0.79 -0.05 2.13 0.52 -0.42 -0.91 118.94 118.42 2vg3 s TRP 114 Ca -0.06 -0.20 -0.01 0.00 0.02 0.00 0.00 56.10 55.85 2vg3 s TRP 114 Cb 0.08 -0.60 0.03 0.00 -1.15 0.00 0.00 33.47 31.82 2vg3 s TRP 114 CO 0.82 -0.11 0.03 -1.17 0.02 0.00 0.00 176.95 176.54 2vg3 s LEU 115 N 0.39 0.46 -0.14 2.99 2.96 0.18 -1.45 118.68 124.06 2vg3 s LEU 115 Ca -0.05 0.01 -0.03 0.00 -0.22 0.00 0.00 54.13 53.83 2vg3 s LEU 115 Cb -0.10 -0.26 -0.03 0.00 0.50 0.00 0.00 46.19 46.31 2vg3 s LEU 115 CO 0.00 -0.21 -0.04 -0.44 -1.32 0.00 0.00 176.35 174.35 2vg3 s SER 116 N 1.91 4.82 -0.13 3.68 0.01 0.05 -0.29 113.70 123.76 2vg3 s SER 116 Ca 0.03 -0.10 0.02 0.00 1.31 0.00 0.00 55.95 57.21 2vg3 s SER 116 Cb -0.12 -1.71 0.01 0.00 0.21 0.00 0.00 66.02 64.41 2vg3 s SER 116 CO -0.04 0.20 -0.19 -0.76 0.41 0.00 0.00 173.24 172.86 2vg3 s LEU 117 N 0.17 1.96 -1.25 2.44 1.43 -0.28 -0.54 118.68 122.60 2vg3 s LEU 117 Ca -0.02 -0.54 -0.16 0.00 -1.03 0.00 0.00 54.13 52.39 2vg3 s LEU 117 Cb -0.14 -1.31 0.12 0.00 0.03 0.00 0.00 46.19 44.90 2vg3 s LEU 117 CO 0.03 0.06 1.58 -0.47 0.23 0.00 0.00 176.35 177.78 2vg3 s TYR 118 N 0.86 3.16 0.18 0.29 6.04 -0.95 -1.29 117.35 125.63 2vg3 s TYR 118 Ca -0.07 -1.89 -0.07 0.00 0.04 0.00 0.00 57.07 55.08 2vg3 s TYR 118 Cb -0.15 -4.53 0.06 0.00 -1.04 0.00 0.00 41.96 36.30 2vg3 s TYR 118 CO -0.01 -1.60 1.52 0.00 -1.54 0.00 0.00 175.55 173.92 2vg3 h ALA 119 N 7.35 0.68 -2.18 3.97 0.00 -1.61 -3.41 119.26 124.07 2vg3 h ALA 119 Ca 0.38 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2vg3 h ALA 119 Cb 0.87 -0.11 -0.22 0.00 0.00 0.00 0.00 17.79 18.33 2vg3 h ALA 119 CO 1.35 0.67 -0.14 0.12 0.00 0.00 0.00 179.25 181.25 2vg3 s PHE 120 N -4.29 -1.05 0.18 0.00 5.36 -0.89 -5.00 117.98 112.30 2vg3 s PHE 120 Ca -0.09 1.99 -0.00 0.00 -0.96 0.00 0.00 56.93 57.86 2vg3 s PHE 120 Cb 0.12 0.59 -0.04 0.00 -0.34 0.00 0.00 43.02 43.34 2vg3 s PHE 120 CO 0.86 -0.54 0.36 0.45 -1.46 0.00 0.00 175.22 174.88 2vg3 s SER 121 N 2.18 6.38 0.53 6.13 0.15 -1.26 0.54 113.70 128.34 2vg3 s SER 121 Ca -0.07 0.35 0.17 0.00 0.70 0.00 0.00 55.95 57.10 2vg3 s SER 121 Cb -0.09 -1.99 1.32 0.00 -1.71 0.00 0.00 66.02 63.55 2vg3 s SER 121 CO -0.17 -0.01 2.15 0.71 1.20 0.00 0.00 173.24 177.12 2vg3 h THR 122 N 1.61 0.95 0.00 6.45 1.35 -1.58 -0.92 112.91 120.77 2vg3 h THR 122 Ca -0.48 0.00 -0.05 0.00 -0.55 0.00 0.00 66.41 65.33 2vg3 h THR 122 Cb 1.19 0.99 -0.01 0.00 -1.73 0.00 0.00 68.15 68.59 2vg3 h THR 122 CO 0.69 0.00 -0.25 -0.33 -0.25 0.00 0.00 175.52 175.38 2vg3 h GLU 123 N 0.00 0.00 0.00 4.72 4.39 -1.94 -3.17 114.58 118.58 2vg3 h GLU 123 Ca 0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.71 2vg3 h GLU 123 Cb 0.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 2vg3 h GLU 123 CO -0.00 0.25 0.00 0.09 -1.16 0.00 0.00 179.01 178.19 2vg3 n ASN 124 N -3.41 0.41 0.21 1.42 5.03 -0.35 -1.40 115.26 117.17 2vg3 n ASN 124 Ca 0.00 0.65 0.15 0.00 0.87 0.00 0.00 54.58 56.26 2vg3 n ASN 124 Cb 0.45 -0.72 0.70 0.00 -1.02 0.00 0.00 39.78 39.19 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 -1.67 -2.59 115.95 118.84 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 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.28 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 -2.60 0.34 -1.38 0.49 5.02 -0.49 -4.83 118.16 114.71 2vg3 n LYS 126 Ca -0.00 0.02 -0.30 0.00 -2.02 0.00 0.00 58.31 56.01 2vg3 n LYS 126 Cb 0.17 -1.50 0.21 0.00 -0.02 0.00 0.00 35.03 33.88 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 -2.64 -0.27 0.57 1.97 0.52 -0.98 -4.98 118.95 113.14 2vg3 s ARG 127 Ca 0.25 -0.06 -0.21 0.00 -0.52 0.00 0.00 55.73 55.19 2vg3 s ARG 127 Cb 0.19 -1.71 -0.04 0.00 0.52 0.00 0.00 34.95 33.91 2vg3 s ARG 127 CO 0.45 -3.08 1.36 -1.13 0.02 0.00 0.00 175.30 172.92 2vg3 n SER 128 N -4.31 2.62 0.28 0.23 3.41 -1.26 -4.83 113.62 109.76 2vg3 n SER 128 Ca 0.12 0.95 0.13 0.00 -0.26 0.00 0.00 58.87 59.81 2vg3 n SER 128 Cb 0.59 -1.58 0.83 0.00 -0.26 0.00 0.00 64.21 63.80 2vg3 n SER 128 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 2vg3 h PRO 129 N 1.25 0.00 -0.22 4.33 0.13 -1.93 -1.59 132.00 133.97 2vg3 h PRO 129 Ca -0.51 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.53 2vg3 h PRO 129 Cb 1.31 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.44 2vg3 h PRO 129 CO 0.56 0.00 -0.22 0.93 -0.23 0.00 0.00 178.00 179.04 2vg3 h GLU 130 N 0.00 0.54 -0.49 0.86 3.07 -1.99 -1.11 114.58 115.45 2vg3 h GLU 130 Ca 0.01 -0.28 -0.13 0.00 -0.50 0.00 0.00 59.36 58.45 2vg3 h GLU 130 Cb 0.04 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 27.94 2vg3 h GLU 130 CO -0.00 0.87 -0.20 1.49 -1.40 0.00 0.00 179.01 179.77 2vg3 h GLU 131 N 0.22 1.00 -0.62 2.33 4.81 -1.82 -1.34 114.58 119.16 2vg3 h GLU 131 Ca 0.03 -0.42 -0.02 0.00 -0.13 0.00 0.00 59.36 58.83 2vg3 h GLU 131 Cb 0.77 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.09 2vg3 h GLU 131 CO 0.05 1.10 0.32 0.28 -0.73 0.00 0.00 179.01 180.03 2vg3 h VAL 132 N 0.86 1.21 -0.69 0.32 2.07 -1.28 0.74 116.25 119.48 2vg3 h VAL 132 Ca 0.11 -0.55 -0.07 0.00 0.82 0.00 0.00 66.70 67.01 2vg3 h VAL 132 Cb 0.78 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 2vg3 h VAL 132 CO 0.06 0.23 0.14 0.03 0.02 0.00 0.00 177.57 178.06 2vg3 h ARG 133 N 0.84 1.12 -0.51 1.57 3.08 -1.10 -0.57 114.38 118.81 2vg3 h ARG 133 Ca 0.22 -0.28 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 2vg3 h ARG 133 Cb 0.08 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 2vg3 h ARG 133 CO -0.03 1.01 0.26 0.35 -1.07 0.00 0.00 179.97 180.48 2vg3 h PHE 134 N 1.05 0.72 -0.45 3.04 3.57 -0.90 -2.27 116.94 121.71 2vg3 h PHE 134 Ca 0.21 -0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.59 2vg3 h PHE 134 Cb 0.41 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 2vg3 h PHE 134 CO 0.03 0.55 -0.11 -0.07 -2.23 0.00 0.00 178.31 176.49 2vg3 h LEU 135 N 0.68 0.79 0.23 0.59 3.38 -0.51 0.29 115.31 120.75 2vg3 h LEU 135 Ca 0.18 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 2vg3 h LEU 135 Cb 0.09 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.63 2vg3 h LEU 135 CO -0.02 0.92 -0.11 0.24 0.09 0.00 0.00 178.44 179.55 2vg3 h MET 136 N 0.73 -0.30 -0.75 1.13 2.86 -1.04 -1.84 114.93 115.71 2vg3 h MET 136 Ca 0.12 0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.81 2vg3 h MET 136 Cb 0.59 0.07 -0.04 0.00 0.06 0.00 0.00 31.60 32.28 2vg3 h MET 136 CO 0.04 -0.07 0.48 0.78 1.06 0.00 0.00 176.91 179.20 2vg3 h GLY 137 N -0.49 1.07 0.93 8.32 0.00 -1.27 -1.79 103.07 109.83 2vg3 h GLY 137 Ca -0.03 -0.37 -0.00 0.00 0.00 0.00 0.00 47.33 46.93 2vg3 h GLY 137 CO 0.05 0.33 0.06 -2.75 0.00 0.00 0.00 176.54 174.23 2vg3 h PHE 138 N 0.95 0.14 -0.82 5.60 3.57 -0.39 -1.15 116.94 124.84 2vg3 h PHE 138 Ca 0.29 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.77 2vg3 h PHE 138 Cb -0.03 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 38.62 2vg3 h PHE 138 CO -0.03 0.17 0.43 -0.91 -2.23 0.00 0.00 178.31 175.74 2vg3 h ASN 139 N 0.07 1.04 -0.16 0.41 2.35 -1.21 0.75 115.58 118.83 2vg3 h ASN 139 Ca 0.04 -0.10 0.04 0.00 -0.55 0.00 0.00 56.30 55.72 2vg3 h ASN 139 Cb 0.08 -0.26 -0.04 0.00 0.05 0.00 0.00 38.32 38.14 2vg3 h ASN 139 CO -0.01 0.85 -0.08 -0.09 -1.65 0.00 0.00 177.43 176.46 2vg3 h ARG 140 N 1.15 -0.06 -0.31 0.81 2.43 -1.12 -2.09 114.38 115.19 2vg3 h ARG 140 Ca 0.29 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.32 2vg3 h ARG 140 Cb 0.06 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 2vg3 h ARG 140 CO -0.04 -0.04 -0.38 -0.44 -1.51 0.00 0.00 179.97 177.56 2vg3 h ASP 141 N -0.06 0.78 -0.62 -3.80 3.32 -0.75 -2.23 116.42 113.06 2vg3 h ASP 141 Ca 0.09 -0.34 -0.08 0.00 0.02 0.00 0.00 57.03 56.71 2vg3 h ASP 141 Cb 0.19 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 2vg3 h ASP 141 CO -0.20 1.07 0.07 0.58 -1.72 0.00 0.00 179.24 179.04 2vg3 h VAL 142 N 0.61 1.26 -0.29 -1.35 2.07 -0.76 0.90 116.25 118.69 2vg3 h VAL 142 Ca 0.05 -1.05 -0.02 0.00 0.82 0.00 0.00 66.70 66.50 2vg3 h VAL 142 Cb 0.92 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 2vg3 h VAL 142 CO 0.08 0.39 0.09 0.58 0.02 0.00 0.00 177.57 178.73 2vg3 h VAL 143 N 0.95 1.20 -0.48 2.57 2.07 -1.27 -1.30 116.25 119.99 2vg3 h VAL 143 Ca 0.19 -0.65 -0.06 0.00 0.82 0.00 0.00 66.70 66.99 2vg3 h VAL 143 Cb 0.47 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 2vg3 h VAL 143 CO 0.02 0.22 0.04 -0.09 0.02 0.00 0.00 177.57 177.77 2vg3 h ARG 144 N 0.32 0.77 -0.04 1.57 2.43 -1.22 -1.91 114.38 116.30 2vg3 h ARG 144 Ca 0.09 -0.19 -0.15 0.00 -0.81 0.00 0.00 59.98 58.93 2vg3 h ARG 144 Cb 0.24 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 2vg3 h ARG 144 CO -0.00 0.76 -0.65 -0.09 -1.51 0.00 0.00 179.97 178.48 2vg3 h ARG 145 N 0.73 0.18 -0.00 0.20 2.43 -0.58 -3.37 114.38 113.97 2vg3 h ARG 145 Ca 0.15 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 2vg3 h ARG 145 Cb 0.39 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 2vg3 h ARG 145 CO 0.01 0.77 -0.36 0.54 -1.51 0.00 0.00 179.97 179.42 2vg3 n ARG 146 N -3.82 3.64 -0.05 0.20 5.12 -0.51 -4.68 116.66 116.56 2vg3 n ARG 146 Ca -0.02 -0.14 0.03 0.00 -1.93 0.00 0.00 57.85 55.79 2vg3 n ARG 146 Cb 0.65 -0.95 0.37 0.00 -1.16 0.00 0.00 32.46 31.37 2vg3 n ARG 146 CO 0.00 0.00 0.00 0.07 -1.93 0.00 0.00 177.63 175.77 2vg3 h ARG 147 N 0.24 0.64 -0.36 5.56 0.11 -1.51 -1.12 114.38 117.95 2vg3 h ARG 147 Ca 0.00 -0.05 -0.04 0.00 0.10 0.00 0.00 59.98 59.99 2vg3 h ARG 147 Cb 0.23 -0.14 -0.01 0.00 1.11 0.00 0.00 29.97 31.16 2vg3 h ARG 147 CO 0.00 0.45 0.08 -0.44 0.10 0.00 0.00 179.97 180.16 2vg3 h ASP 148 N 0.65 0.55 -0.40 0.08 3.32 -1.85 -0.09 116.42 118.68 2vg3 h ASP 148 Ca 0.17 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 2vg3 h ASP 148 Cb -0.03 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 2vg3 h ASP 148 CO -0.03 0.65 0.23 0.74 -1.72 0.00 0.00 179.24 179.11 2vg3 h THR 149 N 0.43 1.14 -0.64 0.35 2.02 -1.77 -0.89 112.91 113.55 2vg3 h THR 149 Ca 0.11 -0.35 -0.01 0.00 0.77 0.00 0.00 66.41 66.93 2vg3 h THR 149 Cb 0.32 0.65 -0.03 0.00 -1.74 0.00 0.00 68.15 67.35 2vg3 h THR 149 CO 0.00 0.14 0.35 -0.07 0.37 0.00 0.00 175.52 176.32 2vg3 h LEU 150 N 0.52 0.80 -0.25 2.58 3.38 -1.06 -1.62 115.31 119.67 2vg3 h LEU 150 Ca 0.14 -0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.05 2vg3 h LEU 150 Cb 0.03 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 2vg3 h LEU 150 CO -0.02 0.66 0.08 0.50 0.09 0.00 0.00 178.44 179.75 2vg3 h LYS 151 N 0.88 0.19 -0.14 1.13 3.64 -0.82 -1.13 116.57 120.32 2vg3 h LYS 151 Ca 0.23 -0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.63 2vg3 h LYS 151 Cb 0.04 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 2vg3 h LYS 151 CO -0.04 0.12 0.10 -0.22 -2.27 0.00 0.00 179.45 177.15 2vg3 h LYS 152 N 0.19 0.00 -0.08 1.90 3.64 -0.74 -2.15 116.57 119.34 2vg3 h LYS 152 Ca 0.11 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 2vg3 h LYS 152 Cb 0.08 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 2vg3 h LYS 152 CO -0.11 0.00 0.00 1.28 -2.27 0.00 0.00 179.45 178.35 2vg3 n LEU 153 N -4.48 1.52 -0.21 5.20 4.77 -0.65 -1.11 117.00 122.04 2vg3 n LEU 153 Ca 0.00 -0.57 -0.03 0.00 -0.03 0.00 0.00 56.01 55.39 2vg3 n LEU 153 Cb 0.22 -0.05 -0.01 0.00 -2.33 0.00 0.00 43.42 41.26 2vg3 n LEU 153 CO 0.35 0.28 -0.03 0.61 -1.33 0.00 0.00 177.39 177.27 2vg3 n GLY 154 N 1.15 0.59 3.71 -0.72 0.00 -0.81 -4.69 105.19 104.43 2vg3 n GLY 154 Ca 0.18 -0.95 -0.42 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.10 4.83 -0.32 1.61 1.01 -0.47 -1.56 120.40 123.41 2vg3 s VAL 155 Ca 0.00 2.04 -0.13 0.00 0.00 0.00 0.00 61.98 63.88 2vg3 s VAL 155 Cb 0.00 -4.31 -0.03 0.00 0.00 0.00 0.00 36.38 32.04 2vg3 s VAL 155 CO 0.00 0.18 0.27 -0.60 0.00 0.00 0.00 175.10 174.95 2vg3 s ARG 156 N 0.88 3.69 0.09 2.72 3.52 0.10 -4.43 118.95 125.50 2vg3 s ARG 156 Ca 0.51 -0.43 0.09 0.00 -0.13 0.00 0.00 55.73 55.77 2vg3 s ARG 156 Cb -0.21 -3.75 -0.04 0.00 -1.56 0.00 0.00 34.95 29.39 2vg3 s ARG 156 CO 0.28 -0.38 -0.23 -1.50 -0.81 0.00 0.00 175.30 172.67 2vg3 s ILE 157 N 1.84 2.50 0.18 4.11 2.07 -1.26 -0.35 121.20 130.29 2vg3 s ILE 157 Ca 0.09 -1.49 -0.21 0.00 -1.41 0.00 0.00 60.65 57.63 2vg3 s ILE 157 Cb -0.17 -2.08 0.05 0.00 0.13 0.00 0.00 42.46 40.40 2vg3 s ILE 157 CO 0.11 0.21 0.59 0.00 -1.91 0.00 0.00 174.94 173.94 2vg3 s ARG 158 N -1.76 1.37 0.20 3.50 3.03 -0.99 -3.84 118.95 120.46 2vg3 s ARG 158 Ca 0.15 -0.65 -0.30 0.00 2.03 0.00 0.00 55.73 56.96 2vg3 s ARG 158 Cb -0.10 0.57 -0.08 0.00 -1.03 0.00 0.00 34.95 34.31 2vg3 s ARG 158 CO 0.06 -0.60 0.93 -0.46 -1.13 0.00 0.00 175.30 174.10 2vg3 s TRP 159 N -3.81 3.93 -0.10 5.89 -0.00 -1.26 -0.80 118.94 122.80 2vg3 s TRP 159 Ca 0.04 1.86 0.00 0.00 -0.00 0.00 0.00 56.10 58.00 2vg3 s TRP 159 Cb -0.02 -2.98 0.02 0.00 -0.00 0.00 0.00 33.47 30.49 2vg3 s TRP 159 CO -0.08 0.39 -0.09 0.08 -0.00 0.00 0.00 176.95 177.25 2vg3 s VAL 160 N -0.83 1.08 -2.14 5.86 1.01 -0.92 -4.87 120.40 119.60 2vg3 s VAL 160 Ca 0.42 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 62.04 2vg3 s VAL 160 Cb -0.25 -1.06 0.00 0.00 0.00 0.00 0.00 36.38 35.07 2vg3 s VAL 160 CO 0.31 0.37 0.00 0.61 0.00 0.00 0.00 175.10 176.39 2vg3 n GLY 161 N 4.62 -1.40 3.87 4.51 0.00 -1.26 -0.97 105.19 114.56 2vg3 n GLY 161 Ca -0.16 -1.01 -0.37 0.00 0.00 0.00 0.00 46.02 44.49 2vg3 n GLY 161 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2vg3 s SER 162 N -3.32 6.51 -0.07 1.61 0.15 0.75 -4.94 113.70 114.39 2vg3 s SER 162 Ca 0.00 0.60 -0.25 0.00 0.70 0.00 0.00 55.95 57.00 2vg3 s SER 162 Cb 0.00 -2.11 -0.20 0.00 -1.71 0.00 0.00 66.02 62.00 2vg3 s SER 162 CO 0.00 0.35 0.97 0.03 1.20 0.00 0.00 173.24 175.79 2vg3 h ARG 163 N 4.65 -0.06 -6.22 5.44 3.08 -1.94 -3.42 114.38 115.91 2vg3 h ARG 163 Ca -0.53 0.00 -0.70 0.00 0.07 0.00 0.00 59.98 58.83 2vg3 h ARG 163 Cb 1.22 0.01 0.05 0.00 0.08 0.00 0.00 29.97 31.33 2vg3 h ARG 163 CO 0.61 0.55 0.42 -2.30 -1.07 0.00 0.00 179.97 178.17 2vg3 n PRO 164 N -4.80 0.97 0.00 0.04 -0.02 -1.26 -2.09 135.00 127.84 2vg3 n PRO 164 Ca -0.08 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 2vg3 n PRO 164 Cb 0.32 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 2vg3 n PRO 164 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2vg3 n ARG 165 N 2.51 0.00 -2.26 -0.52 1.74 -1.26 -5.01 116.66 111.86 2vg3 n ARG 165 Ca 0.19 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.86 2vg3 n ARG 165 Cb 0.17 -0.16 -0.03 0.00 -1.02 0.00 0.00 32.46 31.42 2vg3 n ARG 165 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2vg3 s LEU 166 N 0.00 4.41 0.21 0.55 2.96 -0.89 -4.94 118.68 120.99 2vg3 s LEU 166 Ca 0.00 2.31 -0.32 0.00 -0.22 0.00 0.00 54.13 55.90 2vg3 s LEU 166 Cb 0.00 -3.60 -0.14 0.00 0.50 0.00 0.00 46.19 42.95 2vg3 s LEU 166 CO 0.00 -0.51 1.46 0.79 -1.32 0.00 0.00 176.35 176.77 2vg3 n TRP 167 N 2.96 2.19 0.22 5.38 7.02 -1.26 -4.87 117.44 129.08 2vg3 n TRP 167 Ca 0.07 0.39 0.08 0.00 -1.02 0.00 0.00 57.50 57.01 2vg3 n TRP 167 Cb 0.43 -2.48 0.51 0.00 -2.42 0.00 0.00 31.31 27.35 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 4.71 0.00 -0.31 -0.99 3.08 -1.95 -1.99 114.38 116.93 2vg3 h ARG 168 Ca -0.45 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.58 2vg3 h ARG 168 Cb 1.27 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.30 2vg3 h ARG 168 CO 0.79 0.26 0.10 0.66 -1.07 0.00 0.00 179.97 180.71 2vg3 h SER 169 N 0.00 0.39 -0.08 7.04 4.64 -1.99 -0.65 113.55 122.91 2vg3 h SER 169 Ca -0.00 -0.04 -0.05 0.00 -0.47 0.00 0.00 61.79 61.23 2vg3 h SER 169 Cb 0.58 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 62.57 2vg3 h SER 169 CO 0.03 0.38 -0.15 0.58 -0.87 0.00 0.00 176.83 176.81 2vg3 h VAL 170 N 0.43 1.40 -0.86 0.95 2.07 -1.71 -1.76 116.25 116.77 2vg3 h VAL 170 Ca 0.11 -1.42 0.03 0.00 0.82 0.00 0.00 66.70 66.24 2vg3 h VAL 170 Cb 0.13 2.13 -0.05 0.00 -1.52 0.00 0.00 31.29 31.97 2vg3 h VAL 170 CO -0.01 0.40 0.55 0.40 0.02 0.00 0.00 177.57 178.93 2vg3 h ILE 171 N -0.21 1.14 -0.29 4.57 2.04 -1.40 -2.39 117.51 120.97 2vg3 h ILE 171 Ca 0.01 -0.37 -0.06 0.00 1.00 0.00 0.00 64.86 65.44 2vg3 h ILE 171 Cb 0.72 -0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 2vg3 h ILE 171 CO 0.03 0.20 -0.04 0.78 0.00 0.00 0.00 178.15 179.11 2vg3 h ASN 172 N 1.07 0.54 -0.23 1.72 4.21 -1.08 0.36 115.58 122.16 2vg3 h ASN 172 Ca 0.34 -0.35 -0.10 0.00 1.21 0.00 0.00 56.30 57.40 2vg3 h ASN 172 Cb 0.01 -0.15 -0.02 0.00 -1.12 0.00 0.00 38.32 37.04 2vg3 h ASN 172 CO -0.12 0.76 -0.19 -0.33 -1.29 0.00 0.00 177.43 176.27 2vg3 h GLU 173 N 0.31 0.68 -0.07 0.81 4.39 -1.17 -1.27 114.58 118.26 2vg3 h GLU 173 Ca 0.08 -0.25 -0.09 0.00 0.34 0.00 0.00 59.36 59.44 2vg3 h GLU 173 Cb 0.51 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.10 2vg3 h GLU 173 CO 0.02 0.82 -0.39 -0.07 -1.16 0.00 0.00 179.01 178.24 2vg3 h LEU 174 N 0.60 0.14 -0.40 1.33 3.38 -1.33 -1.47 115.31 117.56 2vg3 h LEU 174 Ca 0.09 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 2vg3 h LEU 174 Cb 0.66 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 2vg3 h LEU 174 CO 0.05 0.52 -0.13 0.00 0.09 0.00 0.00 178.44 178.96 2vg3 h ALA 175 N 1.49 0.56 -0.44 1.53 0.00 -0.40 0.26 119.26 122.25 2vg3 h ALA 175 Ca 0.01 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 2vg3 h ALA 175 Cb 0.74 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 2vg3 h ALA 175 CO 0.06 0.46 0.18 0.28 0.00 0.00 0.00 179.25 180.23 2vg3 h VAL 176 N 0.62 1.20 -0.73 0.00 2.07 -1.16 -1.49 116.25 116.76 2vg3 h VAL 176 Ca 0.10 -0.62 -0.03 0.00 0.82 0.00 0.00 66.70 66.97 2vg3 h VAL 176 Cb 0.67 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 2vg3 h VAL 176 CO 0.05 0.23 0.32 0.00 0.02 0.00 0.00 177.57 178.19 2vg3 h ALA 177 N 1.02 1.20 -0.10 1.67 0.00 -1.12 -1.46 119.26 120.48 2vg3 h ALA 177 Ca 0.15 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2vg3 h ALA 177 Cb 0.19 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 2vg3 h ALA 177 CO -0.01 0.60 0.05 1.49 0.00 0.00 0.00 179.25 181.37 2vg3 h GLU 178 N 1.04 0.15 -0.62 0.00 4.81 -0.28 -2.65 114.58 117.02 2vg3 h GLU 178 Ca 0.25 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.40 2vg3 h GLU 178 Cb 0.15 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.48 2vg3 h GLU 178 CO -0.03 0.22 0.16 1.49 -0.73 0.00 0.00 179.01 180.12 2vg3 h GLU 179 N 0.04 0.99 -0.20 1.92 4.57 -1.02 -1.39 114.58 119.49 2vg3 h GLU 179 Ca 0.03 -0.23 0.03 0.00 -1.18 0.00 0.00 59.36 58.01 2vg3 h GLU 179 Cb 0.12 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.57 2vg3 h GLU 179 CO -0.00 0.89 0.14 0.52 -1.18 0.00 0.00 179.01 179.38 2vg3 h MET 180 N 0.91 0.16 -0.17 1.92 2.86 -1.24 -3.14 114.93 116.22 2vg3 h MET 180 Ca 0.20 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 2vg3 h MET 180 Cb 0.34 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.97 2vg3 h MET 180 CO 0.00 0.10 0.00 0.25 1.06 0.00 0.00 176.91 178.32 2vg3 n THR 181 N -4.50 1.10 0.30 2.22 -2.24 -1.00 -4.74 114.28 105.41 2vg3 n THR 181 Ca 0.01 -1.10 0.16 0.00 -2.27 0.00 0.00 64.05 60.85 2vg3 n THR 181 Cb 0.17 0.43 0.93 0.00 -2.10 0.00 0.00 70.33 69.76 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 1.02 0.00 -0.09 -0.78 2.10 -1.21 -1.12 116.57 116.48 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 0.67 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.00 2vg3 h LYS 182 CO 0.01 0.03 0.00 0.43 -2.00 0.00 0.00 179.45 177.92 2vg3 n SER 183 N -3.64 2.81 -4.82 7.07 7.64 -1.26 -4.95 113.62 116.47 2vg3 n SER 183 Ca -0.03 -1.92 -0.32 0.00 1.01 0.00 0.00 58.87 57.61 2vg3 n SER 183 Cb 0.12 -0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 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 -1.91 6.04 0.00 6.43 0.01 -0.42 -5.00 114.94 120.09 2vg3 s ASN 184 Ca 0.31 1.67 0.00 0.00 -0.71 0.00 0.00 52.86 54.14 2vg3 s ASN 184 Cb 0.20 -2.51 0.00 0.00 0.41 0.00 0.00 41.25 39.35 2vg3 s ASN 184 CO 0.31 -0.99 0.42 -0.67 -1.51 0.00 0.00 177.10 174.65 2vg3 n ASP 185 N -2.11 0.00 -0.05 -1.22 2.03 -1.20 -4.56 116.55 109.44 2vg3 n ASP 185 Ca 0.08 -1.15 -0.15 0.00 0.52 0.00 0.00 54.79 54.08 2vg3 n ASP 185 Cb 0.53 -0.03 -0.07 0.00 -0.72 0.00 0.00 41.12 40.83 2vg3 n ASP 185 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 2vg3 h VAL 186 N 3.86 1.34 -2.41 5.18 2.07 -1.61 -3.46 116.25 121.21 2vg3 h VAL 186 Ca 0.00 -1.69 -0.08 0.00 0.82 0.00 0.00 66.70 65.75 2vg3 h VAL 186 Cb 1.06 1.97 -0.21 0.00 -1.52 0.00 0.00 31.29 32.59 2vg3 h VAL 186 CO 0.00 0.52 -0.03 -0.51 0.02 0.00 0.00 177.57 177.57 2vg3 s ILE 187 N -3.94 0.01 -0.19 4.57 2.07 -1.22 -4.72 121.20 117.78 2vg3 s ILE 187 Ca -0.13 -0.10 -0.06 0.00 -1.41 0.00 0.00 60.65 58.96 2vg3 s ILE 187 Cb 0.07 -0.81 -0.03 0.00 0.13 0.00 0.00 42.46 41.82 2vg3 s ILE 187 CO 0.83 -0.06 0.01 -0.89 -1.91 0.00 0.00 174.94 172.93 2vg3 s THR 188 N -0.49 4.17 -0.21 4.00 2.01 -0.08 -0.72 115.64 124.30 2vg3 s THR 188 Ca -0.06 -0.24 -0.06 0.00 0.31 0.00 0.00 61.69 61.64 2vg3 s THR 188 Cb -0.03 -2.88 -0.03 0.00 0.01 0.00 0.00 72.50 69.57 2vg3 s THR 188 CO 0.04 0.44 0.02 -0.63 -0.69 0.00 0.00 174.62 173.80 2vg3 s ILE 189 N 0.82 4.05 -0.50 1.82 1.01 0.52 -0.65 121.20 128.27 2vg3 s ILE 189 Ca 0.01 -0.27 -0.22 0.00 0.00 0.00 0.00 60.65 60.17 2vg3 s ILE 189 Cb -0.14 -2.85 0.04 0.00 0.01 0.00 0.00 42.46 39.52 2vg3 s ILE 189 CO 0.02 0.41 0.76 0.20 0.00 0.00 0.00 174.94 176.33 2vg3 s ASN 190 N 1.13 6.31 -0.67 3.58 0.01 0.60 -2.34 114.94 123.55 2vg3 s ASN 190 Ca 0.03 -0.51 -0.19 0.00 -0.71 0.00 0.00 52.86 51.48 2vg3 s ASN 190 Cb -0.14 -2.36 0.11 0.00 0.41 0.00 0.00 41.25 39.27 2vg3 s ASN 190 CO 0.02 -0.99 0.83 -0.47 -1.51 0.00 0.00 177.10 174.98 2vg3 s TYR 191 N 3.20 2.99 -0.48 2.20 5.04 0.02 -1.13 117.35 129.20 2vg3 s TYR 191 Ca 0.24 -1.00 -0.20 0.00 -2.44 0.00 0.00 57.07 53.66 2vg3 s TYR 191 Cb -0.15 -4.11 0.04 0.00 0.35 0.00 0.00 41.96 38.09 2vg3 s TYR 191 CO 0.17 -1.39 0.67 0.00 -1.34 0.00 0.00 175.55 173.66 2vg3 s VAL 193 N 2.87 1.56 -1.27 0.00 1.01 -0.15 -1.49 120.40 122.94 2vg3 s VAL 193 Ca 0.20 -0.69 -0.02 0.00 0.00 0.00 0.00 61.98 61.47 2vg3 s VAL 193 Cb -0.16 -1.42 0.01 0.00 0.00 0.00 0.00 36.38 34.81 2vg3 s VAL 193 CO 0.16 0.45 0.96 -3.20 0.00 0.00 0.00 175.10 173.47 2vg3 n ASN 194 N 4.13 -2.69 -4.77 3.32 5.15 0.19 -4.14 115.26 116.45 2vg3 n ASN 194 Ca -0.19 -0.66 -0.36 0.00 -0.60 0.00 0.00 54.58 52.77 2vg3 n ASN 194 Cb 0.51 -4.78 -0.08 0.00 -0.53 0.00 0.00 39.78 34.90 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 -3.42 3.35 -0.07 1.20 5.04 -0.89 -0.18 117.35 122.38 2vg3 s TYR 195 Ca 0.14 0.34 -0.04 0.00 -2.44 0.00 0.00 57.07 55.06 2vg3 s TYR 195 Cb -0.06 -1.85 0.03 0.00 0.35 0.00 0.00 41.96 40.43 2vg3 s TYR 195 CO 0.76 0.59 0.17 0.20 -1.34 0.00 0.00 175.55 175.93 2vg3 s GLY 196 N -1.00 -0.09 0.07 8.97 0.00 -1.26 -1.67 107.32 112.34 2vg3 s GLY 196 Ca 0.15 0.67 -0.27 0.00 0.00 0.00 0.00 44.72 45.27 2vg3 s GLY 196 CO 0.04 0.85 1.62 -1.33 0.00 0.00 0.00 173.10 174.28 2vg3 h GLY 197 N 6.77 -0.44 1.00 0.20 0.00 -1.22 -0.83 103.07 108.55 2vg3 h GLY 197 Ca -0.36 0.16 0.01 0.00 0.00 0.00 0.00 47.33 47.14 2vg3 h GLY 197 CO 0.41 -0.16 0.67 3.21 0.00 0.00 0.00 176.54 180.66 2vg3 h ARG 198 N -0.47 1.32 -0.33 4.80 3.08 -1.98 -2.43 114.38 118.36 2vg3 h ARG 198 Ca -0.04 -0.08 0.03 0.00 0.07 0.00 0.00 59.98 59.95 2vg3 h ARG 198 Cb 0.36 -0.30 -0.03 0.00 0.08 0.00 0.00 29.97 30.08 2vg3 h ARG 198 CO 0.07 0.87 0.15 1.15 -1.07 0.00 0.00 179.97 181.15 2vg3 h THR 199 N 1.36 0.97 -0.25 2.04 2.02 -1.89 0.12 112.91 117.28 2vg3 h THR 199 Ca 0.37 -0.11 -0.11 0.00 0.77 0.00 0.00 66.41 67.33 2vg3 h THR 199 Cb -0.15 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 2vg3 h THR 199 CO -0.08 0.06 -0.30 1.05 0.37 0.00 0.00 175.52 176.62 2vg3 h GLU 200 N 0.32 0.51 -0.54 6.66 4.11 -0.94 -0.58 114.58 124.12 2vg3 h GLU 200 Ca 0.14 -0.21 -0.04 0.00 0.07 0.00 0.00 59.36 59.32 2vg3 h GLU 200 Cb 0.07 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 2vg3 h GLU 200 CO -0.11 0.76 0.18 0.82 0.07 0.00 0.00 179.01 180.73 2vg3 h ILE 201 N 0.44 1.23 -0.70 -1.06 2.04 -1.16 -0.65 117.51 117.65 2vg3 h ILE 201 Ca 0.06 -0.77 -0.03 0.00 1.00 0.00 0.00 64.86 65.12 2vg3 h ILE 201 Cb 0.75 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 37.51 2vg3 h ILE 201 CO 0.06 0.29 0.33 0.74 0.00 0.00 0.00 178.15 179.57 2vg3 h THR 202 N 0.74 1.23 -0.63 -0.27 2.02 -0.26 -0.82 112.91 114.92 2vg3 h THR 202 Ca 0.17 -0.66 -0.08 0.00 0.77 0.00 0.00 66.41 66.62 2vg3 h THR 202 Cb 0.26 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 2vg3 h THR 202 CO -0.01 0.27 0.09 -0.33 0.37 0.00 0.00 175.52 175.91 2vg3 h GLU 203 N 0.97 1.06 -0.13 6.66 5.08 -1.00 -0.14 114.58 127.09 2vg3 h GLU 203 Ca 0.24 -0.29 0.03 0.00 -1.00 0.00 0.00 59.36 58.33 2vg3 h GLU 203 Cb 0.12 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2vg3 h GLU 203 CO -0.03 0.99 -0.03 0.00 -1.00 0.00 0.00 179.01 178.94 2vg3 h ALA 204 N 1.03 0.08 -1.00 3.43 0.00 -0.84 0.00 119.26 121.96 2vg3 h ALA 204 Ca 0.19 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.17 2vg3 h ALA 204 Cb 0.46 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 2vg3 h ALA 204 CO 0.02 -0.49 0.66 1.15 0.00 0.00 0.00 179.25 180.59 2vg3 h THR 205 N -0.00 1.24 -0.47 0.00 2.02 -0.97 -0.85 112.91 113.88 2vg3 h THR 205 Ca 0.06 -0.46 -0.03 0.00 0.77 0.00 0.00 66.41 66.76 2vg3 h THR 205 Cb 0.09 -0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 66.27 2vg3 h THR 205 CO -0.13 0.24 0.19 -0.09 0.37 0.00 0.00 175.52 176.10 2vg3 h ARG 206 N 1.34 0.70 -0.34 6.66 2.43 -0.56 -0.73 114.38 123.87 2vg3 h ARG 206 Ca 0.37 -0.13 -0.07 0.00 -0.81 0.00 0.00 59.98 59.35 2vg3 h ARG 206 Cb -0.12 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.30 2vg3 h ARG 206 CO -0.09 0.63 -0.04 1.49 -1.51 0.00 0.00 179.97 180.44 2vg3 h GLU 207 N 0.61 0.64 -0.68 0.20 4.57 -0.67 -1.58 114.58 117.67 2vg3 h GLU 207 Ca 0.16 -0.23 0.09 0.00 -1.18 0.00 0.00 59.36 58.20 2vg3 h GLU 207 Cb 0.19 -0.05 -0.07 0.00 -0.16 0.00 0.00 28.75 28.66 2vg3 h GLU 207 CO -0.01 0.78 0.32 0.82 -1.18 0.00 0.00 179.01 179.74 2vg3 h ILE 208 N 0.43 0.83 -0.83 2.32 2.04 -1.09 -1.59 117.51 119.62 2vg3 h ILE 208 Ca 0.09 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 2vg3 h ILE 208 Cb 0.53 0.24 -0.04 0.00 -0.74 0.00 0.00 36.82 36.80 2vg3 h ILE 208 CO 0.03 0.10 0.47 0.00 0.00 0.00 0.00 178.15 178.75 2vg3 h ALA 209 N 1.42 1.27 -0.57 1.87 0.00 -0.92 -1.71 119.26 120.62 2vg3 h ALA 209 Ca 0.33 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 2vg3 h ALA 209 Cb 0.36 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 2vg3 h ALA 209 CO -0.27 0.60 0.35 0.00 0.00 0.00 0.00 179.25 179.93 2vg3 h ARG 210 N 1.15 0.77 -0.86 0.00 3.08 -0.38 -1.08 114.38 117.06 2vg3 h ARG 210 Ca 0.30 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.28 2vg3 h ARG 210 Cb -0.01 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 29.84 2vg3 h ARG 210 CO -0.05 0.55 0.54 0.93 -1.07 0.00 0.00 179.97 180.86 2vg3 h GLU 211 N 0.77 1.16 -0.53 0.04 5.08 -0.96 -1.39 114.58 118.74 2vg3 h GLU 211 Ca 0.20 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 2vg3 h GLU 211 Cb -0.02 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 28.95 2vg3 h GLU 211 CO -0.04 0.80 0.21 0.28 -1.00 0.00 0.00 179.01 179.26 2vg3 h VAL 212 N 1.18 1.22 0.00 3.13 2.07 -0.98 0.15 116.25 123.01 2vg3 h VAL 212 Ca 0.31 -0.67 -0.03 0.00 0.82 0.00 0.00 66.70 67.13 2vg3 h VAL 212 Cb -0.08 0.66 -0.00 0.00 -1.52 0.00 0.00 31.29 30.35 2vg3 h VAL 212 CO -0.06 0.26 -0.14 0.00 0.02 0.00 0.00 177.57 177.65 2vg3 h ALA 213 N 1.06 1.10 -0.01 1.67 0.00 -0.88 -2.44 119.26 119.77 2vg3 h ALA 213 Ca 0.18 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2vg3 h ALA 213 Cb 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2vg3 h ALA 213 CO -0.01 0.17 -0.25 0.00 0.00 0.00 0.00 179.25 179.15 2vg3 n ALA 214 N -2.21 3.07 -1.03 0.00 0.00 -0.55 -4.95 120.51 114.83 2vg3 n ALA 214 Ca -0.01 -0.38 -0.01 0.00 0.00 0.00 0.00 53.44 53.04 2vg3 n ALA 214 Cb 0.32 -1.16 -0.01 0.00 0.00 0.00 0.00 19.45 18.60 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 1.35 0.50 1.47 0.00 0.00 -0.75 -4.92 105.19 102.83 2vg3 n GLY 215 Ca 0.12 -0.44 0.11 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.70 3.19 -3.64 1.61 1.74 -0.03 -4.89 116.66 111.94 2vg3 n ARG 216 Ca -0.01 -2.73 -0.05 0.00 -0.77 0.00 0.00 57.85 54.29 2vg3 n ARG 216 Cb 0.07 -1.73 -0.06 0.00 -1.02 0.00 0.00 32.46 29.73 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 -1.40 -1.02 -0.25 0.55 2.96 -1.21 -4.88 118.68 113.42 2vg3 s LEU 217 Ca 0.50 1.54 -0.25 0.00 -0.22 0.00 0.00 54.13 55.69 2vg3 s LEU 217 Cb 0.29 2.34 -0.00 0.00 0.50 0.00 0.00 46.19 49.32 2vg3 s LEU 217 CO 0.29 -0.23 0.86 0.21 -1.32 0.00 0.00 176.35 176.16 2vg3 s ASN 218 N 2.15 6.86 0.55 3.68 3.84 -1.26 -4.39 114.94 126.37 2vg3 s ASN 218 Ca -0.08 1.05 0.30 0.00 0.21 0.00 0.00 52.86 54.34 2vg3 s ASN 218 Cb -0.08 -2.45 1.46 0.00 -0.55 0.00 0.00 41.25 39.63 2vg3 s ASN 218 CO -0.20 -0.56 1.90 -0.65 -2.79 0.00 0.00 177.10 174.81 2vg3 h PRO 219 N 7.70 0.00 0.00 0.43 0.11 -1.99 0.13 132.00 138.38 2vg3 h PRO 219 Ca -0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 2vg3 h PRO 219 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2vg3 h PRO 219 CO 0.90 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 179.08 2vg3 n GLU 220 N -4.10 0.17 0.00 1.05 -0.58 -1.26 -3.27 120.64 112.64 2vg3 n GLU 220 Ca 0.14 0.21 0.13 0.00 -0.42 0.00 0.00 57.16 57.22 2vg3 n GLU 220 Cb 0.83 -1.73 0.34 0.00 -0.57 0.00 0.00 31.44 30.31 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 -2.04 1.34 -2.18 3.49 1.74 0.45 -4.91 116.66 114.56 2vg3 n ARG 221 Ca 0.05 -0.89 -0.42 0.00 -0.77 0.00 0.00 57.85 55.82 2vg3 n ARG 221 Cb 0.36 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.29 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 -2.27 3.57 0.47 0.55 1.01 -1.20 -4.95 121.20 118.38 2vg3 s ILE 222 Ca 0.28 0.99 0.02 0.00 0.00 0.00 0.00 60.65 61.95 2vg3 s ILE 222 Cb 0.20 -3.64 -0.01 0.00 0.01 0.00 0.00 42.46 39.02 2vg3 s ILE 222 CO 0.44 0.01 0.08 0.42 0.00 0.00 0.00 174.94 175.89 2vg3 s THR 223 N 2.26 0.75 0.30 2.92 -4.23 -1.26 -4.98 115.64 111.40 2vg3 s THR 223 Ca 0.65 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 59.14 2vg3 s THR 223 Cb -0.33 -2.16 0.25 0.00 1.34 0.00 0.00 72.50 71.60 2vg3 s THR 223 CO 0.28 0.00 1.96 -0.33 -0.54 0.00 0.00 174.62 175.98 2vg3 h GLU 224 N 1.51 1.06 -0.96 3.99 5.08 -2.01 -2.14 114.58 121.11 2vg3 h GLU 224 Ca -0.39 -0.08 0.08 0.00 -1.00 0.00 0.00 59.36 57.98 2vg3 h GLU 224 Cb 1.30 -0.23 -0.07 0.00 0.50 0.00 0.00 28.75 30.25 2vg3 h GLU 224 CO 0.63 0.72 0.60 0.77 -1.00 0.00 0.00 179.01 180.74 2vg3 h SER 225 N 1.09 0.94 -0.41 1.42 0.02 -1.98 -1.73 113.55 112.89 2vg3 h SER 225 Ca 0.29 0.02 0.04 0.00 -0.84 0.00 0.00 61.79 61.30 2vg3 h SER 225 Cb -0.09 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.24 2vg3 h SER 225 CO -0.06 0.57 0.19 0.74 -1.14 0.00 0.00 176.83 177.14 2vg3 h THR 226 N 1.06 0.95 0.03 -2.27 2.02 -1.76 -0.68 112.91 112.26 2vg3 h THR 226 Ca 0.43 -0.13 -0.00 0.00 0.77 0.00 0.00 66.41 67.48 2vg3 h THR 226 Cb 0.26 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 67.19 2vg3 h THR 226 CO -0.20 0.07 -0.01 0.40 0.37 0.00 0.00 175.52 176.15 2vg3 h ILE 227 N 0.39 1.04 -0.83 3.11 1.08 -1.28 -2.57 117.51 118.45 2vg3 h ILE 227 Ca 0.18 -0.21 0.13 0.00 -0.39 0.00 0.00 64.86 64.57 2vg3 h ILE 227 Cb 0.11 1.18 -0.09 0.00 -3.07 0.00 0.00 36.82 34.96 2vg3 h ILE 227 CO -0.14 0.05 0.44 0.00 -0.69 0.00 0.00 178.15 177.81 2vg3 h ALA 228 N 0.85 1.23 0.00 1.87 0.00 -1.06 0.02 119.26 122.17 2vg3 h ALA 228 Ca -0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2vg3 h ALA 228 Cb 0.11 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2vg3 h ALA 228 CO 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.23 2vg3 h ARG 229 N 0.67 0.00 -0.39 0.00 3.08 -0.87 -2.64 114.38 114.23 2vg3 h ARG 229 Ca 0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.49 2vg3 h ARG 229 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.60 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 -2.74 0.51 -1.02 3.04 8.25 -0.06 -4.78 115.22 118.44 2vg3 n HIS 230 Ca 0.00 -0.36 -0.29 0.00 -0.26 0.00 0.00 57.72 56.81 2vg3 n HIS 230 Cb 0.20 -0.01 0.19 0.00 1.12 0.00 0.00 29.99 31.49 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 -1.11 1.56 0.39 2.41 1.43 -0.90 -4.05 118.68 118.41 2vg3 s LEU 231 Ca 0.31 1.34 0.11 0.00 -1.03 0.00 0.00 54.13 54.86 2vg3 s LEU 231 Cb 0.17 -3.50 0.79 0.00 0.03 0.00 0.00 46.19 43.68 2vg3 s LEU 231 CO 0.23 -3.31 1.89 1.56 0.23 0.00 0.00 176.35 176.96 2vg3 h GLN 232 N -2.01 0.12 -2.41 1.70 4.20 -1.89 -3.31 115.11 111.50 2vg3 h GLN 232 Ca -0.55 -0.03 -0.55 0.00 0.06 0.00 0.00 58.65 57.57 2vg3 h GLN 232 Cb 1.32 -0.01 -0.37 0.00 0.30 0.00 0.00 27.48 28.71 2vg3 h GLN 232 CO 0.55 0.35 -0.87 1.03 -0.67 0.00 0.00 178.83 179.22 2vg3 s ARG 233 N -4.52 0.68 0.54 1.46 1.81 -1.26 -4.98 118.95 112.69 2vg3 s ARG 233 Ca -0.04 -1.53 0.35 0.00 -1.72 0.00 0.00 55.73 52.78 2vg3 s ARG 233 Cb 0.15 -1.25 1.88 0.00 -0.45 0.00 0.00 34.95 35.29 2vg3 s ARG 233 CO 0.72 -1.27 2.06 -1.35 -0.68 0.00 0.00 175.30 174.78 2vg3 h PRO 234 N 6.52 0.00 0.00 3.54 0.11 -1.79 -2.43 132.00 137.95 2vg3 h PRO 234 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 2vg3 h PRO 234 Cb 0.96 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.07 2vg3 h PRO 234 CO 0.28 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.67 2vg3 n ASP 235 N -2.75 0.00 -4.66 -2.05 5.75 -1.26 -4.81 116.55 106.76 2vg3 n ASP 235 Ca -0.02 -0.17 -0.43 0.00 -0.01 0.00 0.00 54.79 54.17 2vg3 n ASP 235 Cb 0.10 -0.27 -0.02 0.00 -1.03 0.00 0.00 41.12 39.90 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 -2.54 3.91 0.84 2.12 1.01 -0.92 -4.99 121.20 120.62 2vg3 s ILE 236 Ca 0.28 1.09 -0.12 0.00 0.00 0.00 0.00 60.65 61.91 2vg3 s ILE 236 Cb 0.19 -3.72 0.11 0.00 0.01 0.00 0.00 42.46 39.06 2vg3 s ILE 236 CO 0.44 -0.11 1.20 -2.16 0.00 0.00 0.00 174.94 174.30 2vg3 s PRO 237 N 3.83 1.60 0.57 2.79 0.04 -1.26 -5.00 135.00 137.58 2vg3 s PRO 237 Ca 0.65 -0.13 -0.19 0.00 0.04 0.00 0.00 61.00 61.37 2vg3 s PRO 237 Cb -0.27 -1.96 -0.06 0.00 0.04 0.00 0.00 34.50 32.24 2vg3 s PRO 237 CO 0.23 -1.79 0.85 -0.25 0.04 0.00 0.00 177.00 176.08 2vg3 n ASP 238 N -3.38 0.35 -4.70 6.66 8.00 -1.26 -4.93 116.55 117.28 2vg3 n ASP 238 Ca 0.10 0.81 -0.42 0.00 0.71 0.00 0.00 54.79 56.00 2vg3 n ASP 238 Cb 0.60 -1.33 -0.03 0.00 -0.02 0.00 0.00 41.12 40.34 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 -1.54 4.85 -0.16 2.53 1.01 -0.19 -4.54 120.40 122.35 2vg3 s VAL 239 Ca 0.73 1.94 -0.11 0.00 0.00 0.00 0.00 61.98 64.53 2vg3 s VAL 239 Cb -0.44 -4.27 -0.23 0.00 0.00 0.00 0.00 36.38 31.44 2vg3 s VAL 239 CO 0.50 0.09 0.27 0.47 0.00 0.00 0.00 175.10 176.42 2vg3 n ASP 240 N 4.53 2.03 -4.01 3.32 8.00 -0.14 -3.75 116.55 126.53 2vg3 n ASP 240 Ca 0.06 0.27 -0.30 0.00 0.71 0.00 0.00 54.79 55.53 2vg3 n ASP 240 Cb 0.50 -0.88 -0.17 0.00 -0.02 0.00 0.00 41.12 40.56 2vg3 n ASP 240 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2vg3 s LEU 241 N -7.30 1.64 -0.23 0.64 2.96 -0.95 -0.99 118.68 114.44 2vg3 s LEU 241 Ca -0.26 -0.46 -0.05 0.00 -0.22 0.00 0.00 54.13 53.14 2vg3 s LEU 241 Cb 0.07 -1.14 -0.01 0.00 0.50 0.00 0.00 46.19 45.61 2vg3 s LEU 241 CO 0.70 -0.05 -0.00 0.12 -1.32 0.00 0.00 176.35 175.79 2vg3 s PHE 242 N 1.43 3.01 -0.06 5.38 5.36 0.45 -0.85 117.98 132.70 2vg3 s PHE 242 Ca 0.03 -0.78 0.02 0.00 -0.96 0.00 0.00 56.93 55.24 2vg3 s PHE 242 Cb -0.13 -2.16 -0.03 0.00 -0.34 0.00 0.00 43.02 40.37 2vg3 s PHE 242 CO -0.09 -0.49 -0.11 -0.51 -1.46 0.00 0.00 175.22 172.55 2vg3 s LEU 243 N 1.52 2.90 -0.01 6.12 1.43 0.11 -1.08 118.68 129.67 2vg3 s LEU 243 Ca 0.06 -0.13 0.00 0.00 -1.03 0.00 0.00 54.13 53.03 2vg3 s LEU 243 Cb -0.15 -1.61 0.02 0.00 0.03 0.00 0.00 46.19 44.48 2vg3 s LEU 243 CO -0.01 0.34 0.01 -0.60 0.23 0.00 0.00 176.35 176.32 2vg3 s ARG 244 N -0.71 0.05 0.69 1.70 3.52 -1.11 -0.47 118.95 122.63 2vg3 s ARG 244 Ca 0.11 0.07 -0.01 0.00 -0.13 0.00 0.00 55.73 55.78 2vg3 s ARG 244 Cb -0.11 -0.20 0.11 0.00 -1.56 0.00 0.00 34.95 33.19 2vg3 s ARG 244 CO 0.01 -0.08 0.96 0.95 -0.81 0.00 0.00 175.30 176.33 2vg3 s THR 245 N 0.57 2.23 0.00 4.11 -4.23 -1.15 -1.92 115.64 115.25 2vg3 s THR 245 Ca -0.05 -0.59 0.00 0.00 -1.18 0.00 0.00 61.69 59.87 2vg3 s THR 245 Cb -0.07 -2.64 0.00 0.00 1.34 0.00 0.00 72.50 71.13 2vg3 s THR 245 CO -0.01 0.00 0.00 -1.54 -0.54 0.00 0.00 174.62 172.53 2vg3 n SER 246 N -2.76 -3.80 -0.21 3.99 3.41 0.62 -3.55 113.62 111.31 2vg3 n SER 246 Ca 0.13 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.72 2vg3 n SER 246 Cb 0.60 -1.62 -0.01 0.00 -0.26 0.00 0.00 64.21 62.92 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 -1.47 0.54 3.58 5.00 0.00 -0.28 -4.86 105.19 107.70 2vg3 n GLY 247 Ca 0.00 -0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.38 2vg3 n GLY 247 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2vg3 s GLU 248 N -1.42 3.61 -1.24 1.61 2.56 -1.23 -4.94 118.70 117.65 2vg3 s GLU 248 Ca 0.00 0.31 -0.08 0.00 0.00 0.00 0.00 54.97 55.21 2vg3 s GLU 248 Cb 0.00 -3.91 0.20 0.00 2.00 0.00 0.00 34.13 32.41 2vg3 s GLU 248 CO 0.00 -1.25 1.85 1.04 -0.56 0.00 0.00 175.26 176.34 2vg3 n GLN 249 N 7.34 3.95 -4.00 4.30 6.02 -1.26 -4.82 117.38 128.91 2vg3 n GLN 249 Ca 0.08 -3.76 -0.10 0.00 -0.01 0.00 0.00 57.00 53.21 2vg3 n GLN 249 Cb 0.49 -2.80 -0.11 0.00 1.02 0.00 0.00 30.24 28.84 2vg3 n GLN 249 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2vg3 s ARG 250 N -0.56 0.35 0.26 -1.09 0.52 -1.26 -5.04 118.95 112.13 2vg3 s ARG 250 Ca 0.39 -0.63 0.22 0.00 -0.52 0.00 0.00 55.73 55.20 2vg3 s ARG 250 Cb 0.10 0.02 0.08 0.00 0.52 0.00 0.00 34.95 35.67 2vg3 s ARG 250 CO 0.01 -0.03 1.18 0.66 0.02 0.00 0.00 175.30 177.14 2vg3 h SER 251 N 4.65 0.00 -6.71 0.23 4.64 -1.96 -3.47 113.55 110.93 2vg3 h SER 251 Ca -0.33 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.45 2vg3 h SER 251 Cb 1.21 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.14 2vg3 h SER 251 CO 0.41 0.01 -0.88 -1.20 -0.87 0.00 0.00 176.83 174.31 2vg3 n SER 252 N -2.79 -1.43 -0.46 4.97 7.64 -1.26 -1.87 113.62 118.42 2vg3 n SER 252 Ca 0.01 -1.06 -0.06 0.00 1.01 0.00 0.00 58.87 58.77 2vg3 n SER 252 Cb 0.55 -2.67 -0.03 0.00 -1.01 0.00 0.00 64.21 61.06 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 -2.81 -4.23 -4.70 6.43 5.15 -1.26 -4.91 115.26 108.92 2vg3 n ASN 253 Ca -0.14 0.15 -0.39 0.00 -0.60 0.00 0.00 54.58 53.60 2vg3 n ASN 253 Cb 0.60 -2.26 -0.05 0.00 -0.53 0.00 0.00 39.78 37.54 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 -2.05 3.50 -1.41 1.20 5.36 -0.78 -0.63 117.98 123.17 2vg3 s PHE 254 Ca 0.00 1.06 -0.02 0.00 -0.96 0.00 0.00 56.93 57.01 2vg3 s PHE 254 Cb 0.00 -2.73 0.02 0.00 -0.34 0.00 0.00 43.02 39.96 2vg3 s PHE 254 CO 0.00 0.04 0.54 -1.33 -1.46 0.00 0.00 175.22 173.01 2vg3 n MET 255 N 4.10 -3.79 0.07 10.12 2.81 -1.26 -4.80 117.12 124.38 2vg3 n MET 255 Ca -0.03 0.46 -0.13 0.00 -1.81 0.00 0.00 57.70 56.20 2vg3 n MET 255 Cb 0.51 -4.77 -0.08 0.00 -0.71 0.00 0.00 33.22 28.17 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 -1.83 -0.09 -0.49 4.03 5.85 -1.87 0.34 115.31 121.24 2vg3 h LEU 256 Ca -0.62 -0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.00 2vg3 h LEU 256 Cb 1.37 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.41 2vg3 h LEU 256 CO 0.62 -0.01 0.12 -0.25 -0.34 0.00 0.00 178.44 178.58 2vg3 h TRP 257 N -0.17 0.82 0.00 1.25 2.91 -1.89 -3.21 115.95 115.66 2vg3 h TRP 257 Ca -0.01 -0.10 -0.11 0.00 1.13 0.00 0.00 58.89 59.80 2vg3 h TRP 257 Cb 0.14 -0.23 -0.02 0.00 -0.51 0.00 0.00 29.16 28.54 2vg3 h TRP 257 CO -0.05 0.74 -0.53 1.96 -1.03 0.00 0.00 178.44 179.52 2vg3 h GLN 258 N 0.67 0.00 -0.60 2.65 7.50 -1.83 -3.22 115.11 120.27 2vg3 h GLN 258 Ca 0.15 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.30 2vg3 h GLN 258 Cb 0.33 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.86 2vg3 h GLN 258 CO 0.00 0.53 0.00 0.00 -1.50 0.00 0.00 178.83 177.87 2vg3 n ALA 259 N -2.30 2.66 -0.35 3.87 0.00 0.11 -1.03 120.51 123.48 2vg3 n ALA 259 Ca 0.00 -1.13 0.15 0.00 0.00 0.00 0.00 53.44 52.46 2vg3 n ALA 259 Cb 0.65 -0.98 0.35 0.00 0.00 0.00 0.00 19.45 19.46 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 3.97 1.73 -0.17 0.00 0.00 -1.62 -1.28 119.26 121.89 2vg3 h ALA 260 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2vg3 h ALA 260 Cb 0.97 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2vg3 h ALA 260 CO 0.08 -0.14 0.00 0.66 0.00 0.00 0.00 179.25 179.85 2vg3 n TYR 261 N -4.80 0.58 -2.17 0.00 4.01 -1.26 -5.06 117.16 108.46 2vg3 n TYR 261 Ca 0.25 -0.90 -0.37 0.00 -0.16 0.00 0.00 57.90 56.72 2vg3 n TYR 261 Cb 0.64 -0.24 0.00 0.00 -0.31 0.00 0.00 39.34 39.43 2vg3 n TYR 261 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2vg3 s ALA 262 N -2.76 2.84 -0.10 -0.72 0.00 -0.49 -4.96 121.76 115.57 2vg3 s ALA 262 Ca 0.37 0.97 -0.28 0.00 0.00 0.00 0.00 51.96 53.02 2vg3 s ALA 262 Cb 0.31 -3.41 -0.02 0.00 0.00 0.00 0.00 23.12 20.00 2vg3 s ALA 262 CO 0.07 -0.83 0.94 -1.21 0.00 0.00 0.00 175.76 174.72 2vg3 s GLU 263 N -2.94 4.41 -0.11 0.00 0.41 -0.17 -4.90 118.70 115.41 2vg3 s GLU 263 Ca 0.68 1.27 -0.16 0.00 -0.41 0.00 0.00 54.97 56.35 2vg3 s GLU 263 Cb -0.29 -3.53 -0.05 0.00 -1.78 0.00 0.00 34.13 28.48 2vg3 s GLU 263 CO 0.34 -0.25 0.41 0.71 -0.49 0.00 0.00 175.26 175.98 2vg3 s TYR 264 N 1.80 3.53 -0.11 1.61 2.02 -1.26 -0.41 117.35 124.53 2vg3 s TYR 264 Ca 0.46 0.82 0.01 0.00 -0.37 0.00 0.00 57.07 57.98 2vg3 s TYR 264 Cb -0.18 -2.45 0.02 0.00 -0.40 0.00 0.00 41.96 38.95 2vg3 s TYR 264 CO 0.18 0.26 -0.12 0.42 -1.57 0.00 0.00 175.55 174.73 2vg3 s ILE 265 N 0.31 1.25 -0.29 2.71 1.01 -0.24 -4.96 121.20 120.99 2vg3 s ILE 265 Ca 0.23 -0.47 -0.03 0.00 0.00 0.00 0.00 60.65 60.37 2vg3 s ILE 265 Cb -0.15 -1.19 0.03 0.00 0.01 0.00 0.00 42.46 41.17 2vg3 s ILE 265 CO 0.09 0.40 0.01 -0.36 0.00 0.00 0.00 174.94 175.08 2vg3 s PHE 266 N 1.24 3.18 -0.06 3.97 0.08 -1.26 -2.74 117.98 122.39 2vg3 s PHE 266 Ca -0.03 -1.53 -0.03 0.00 0.12 0.00 0.00 56.93 55.46 2vg3 s PHE 266 Cb -0.14 -2.14 -0.04 0.00 -0.57 0.00 0.00 43.02 40.13 2vg3 s PHE 266 CO -0.04 -0.73 0.11 -0.65 -0.10 0.00 0.00 175.22 173.81 2vg3 s GLN 267 N 1.35 3.26 0.23 0.44 -0.21 -0.81 -4.84 119.66 119.08 2vg3 s GLN 267 Ca -0.02 -0.32 0.03 0.00 0.02 0.00 0.00 55.36 55.08 2vg3 s GLN 267 Cb -0.18 -3.01 0.23 0.00 1.00 0.00 0.00 33.01 31.05 2vg3 s GLN 267 CO -0.01 0.71 1.55 -0.44 -2.12 0.00 0.00 175.29 174.98 2vg3 h ASP 268 N 4.49 0.32 -2.34 5.90 5.19 -1.89 -0.42 116.42 127.67 2vg3 h ASP 268 Ca -0.51 -0.18 -0.62 0.00 -0.62 0.00 0.00 57.03 55.10 2vg3 h ASP 268 Cb 1.20 -0.09 0.09 0.00 0.18 0.00 0.00 39.33 40.71 2vg3 h ASP 268 CO 0.61 0.84 0.33 0.29 -3.12 0.00 0.00 179.24 178.19 2vg3 n LYS 269 N -3.88 1.48 -2.42 3.56 5.02 -1.26 -3.44 118.16 117.21 2vg3 n LYS 269 Ca -0.03 0.53 -0.38 0.00 -2.02 0.00 0.00 58.31 56.41 2vg3 n LYS 269 Cb 0.62 -2.03 -0.03 0.00 -0.02 0.00 0.00 35.03 33.56 2vg3 n LYS 269 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2vg3 s LEU 270 N 0.38 4.26 0.24 -0.35 1.43 -1.26 -0.28 118.68 123.09 2vg3 s LEU 270 Ca 0.67 2.22 -0.05 0.00 -1.03 0.00 0.00 54.13 55.94 2vg3 s LEU 270 Cb -0.74 -3.99 0.39 0.00 0.03 0.00 0.00 46.19 41.87 2vg3 s LEU 270 CO 0.54 -0.49 1.79 -0.25 0.23 0.00 0.00 176.35 178.17 2vg3 h TRP 271 N 2.85 0.75 0.00 0.29 2.91 -1.49 0.63 115.95 121.90 2vg3 h TRP 271 Ca -0.48 0.03 -0.00 0.00 1.13 0.00 0.00 58.89 59.57 2vg3 h TRP 271 Cb 1.22 -0.22 -0.00 0.00 -0.51 0.00 0.00 29.16 29.65 2vg3 h TRP 271 CO 0.57 0.28 -0.00 -1.35 -1.03 0.00 0.00 178.44 176.90 2vg3 h PRO 272 N 0.69 0.00 -0.00 2.65 0.11 -1.86 -1.38 132.00 132.20 2vg3 h PRO 272 Ca 0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.50 2vg3 h PRO 272 Cb 0.40 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.51 2vg3 h PRO 272 CO -0.27 0.00 -0.31 -0.25 -0.21 0.00 0.00 178.00 176.96 2vg3 n ASP 273 N -3.35 0.68 -4.81 -2.05 8.00 0.20 -4.91 116.55 110.31 2vg3 n ASP 273 Ca -0.03 -0.52 -0.33 0.00 0.71 0.00 0.00 54.79 54.62 2vg3 n ASP 273 Cb 0.08 0.11 -0.02 0.00 -0.02 0.00 0.00 41.12 41.26 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 -2.71 3.11 0.29 1.24 5.04 -0.52 -4.97 117.35 118.83 2vg3 s TYR 274 Ca 0.19 1.54 -0.11 0.00 -2.44 0.00 0.00 57.07 56.25 2vg3 s TYR 274 Cb 0.19 -2.98 0.01 0.00 0.35 0.00 0.00 41.96 39.53 2vg3 s TYR 274 CO 0.58 -0.76 0.53 0.16 -1.34 0.00 0.00 175.55 174.72 2vg3 s ASP 275 N -2.45 0.16 0.60 4.32 1.47 -1.26 -4.87 116.67 114.63 2vg3 s ASP 275 Ca 0.64 -1.08 0.32 0.00 1.18 0.00 0.00 52.55 53.62 2vg3 s ASP 275 Cb -0.14 0.65 1.89 0.00 -0.34 0.00 0.00 42.92 44.98 2vg3 s ASP 275 CO 0.27 -1.26 2.26 0.08 0.68 0.00 0.00 175.17 177.19 2vg3 h ARG 276 N 2.17 0.00 -0.01 2.11 0.11 -1.92 -0.09 114.38 116.75 2vg3 h ARG 276 Ca -0.27 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 59.72 2vg3 h ARG 276 Cb 1.25 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.32 2vg3 h ARG 276 CO 0.36 0.01 -0.40 0.00 0.10 0.00 0.00 179.97 180.04 2vg3 h ARG 277 N 0.00 0.02 -0.26 0.08 3.08 -1.97 -1.23 114.38 114.11 2vg3 h ARG 277 Ca -0.00 -0.01 -0.12 0.00 0.07 0.00 0.00 59.98 59.92 2vg3 h ARG 277 Cb 0.04 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.09 2vg3 h ARG 277 CO 0.00 0.42 -0.31 -0.44 -1.07 0.00 0.00 179.97 178.57 2vg3 h ASP 278 N 0.02 0.72 -0.28 7.04 3.32 -1.43 -1.20 116.42 124.61 2vg3 h ASP 278 Ca -0.00 -0.49 0.05 0.00 0.02 0.00 0.00 57.03 56.60 2vg3 h ASP 278 Cb 0.72 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 40.02 2vg3 h ASP 278 CO 0.05 1.07 0.01 0.25 -1.72 0.00 0.00 179.24 178.90 2vg3 h LEU 279 N 0.38 -0.08 -0.54 1.55 5.85 -1.37 -1.30 115.31 119.81 2vg3 h LEU 279 Ca 0.03 0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.85 2vg3 h LEU 279 Cb 0.89 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.97 2vg3 h LEU 279 CO 0.07 -0.01 0.29 -0.50 -0.34 0.00 0.00 178.44 177.96 2vg3 h TRP 280 N 0.10 0.54 -0.52 1.25 6.55 -1.16 -0.99 115.95 121.72 2vg3 h TRP 280 Ca 0.13 0.02 0.08 0.00 0.95 0.00 0.00 58.89 60.07 2vg3 h TRP 280 Cb 0.17 -0.16 -0.07 0.00 -0.86 0.00 0.00 29.16 28.24 2vg3 h TRP 280 CO -0.20 0.28 0.15 0.00 -1.05 0.00 0.00 178.44 177.62 2vg3 h ALA 281 N 1.27 0.62 -0.81 1.49 0.00 -0.93 0.75 119.26 121.65 2vg3 h ALA 281 Ca 0.23 0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.28 2vg3 h ALA 281 Cb 0.11 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.93 2vg3 h ALA 281 CO -0.14 -0.25 0.50 0.00 0.00 0.00 0.00 179.25 179.35 2vg3 h ALA 282 N 1.37 1.10 -0.23 0.00 0.00 -0.69 -1.54 119.26 119.27 2vg3 h ALA 282 Ca 0.26 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 55.03 2vg3 h ALA 282 Cb 0.31 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2vg3 h ALA 282 CO -0.29 0.25 -0.40 0.00 0.00 0.00 0.00 179.25 178.81 2vg3 h GLU 284 N 0.44 0.71 -0.40 0.00 5.08 -0.51 -1.39 114.58 118.52 2vg3 h GLU 284 Ca 0.04 -0.11 0.03 0.00 -1.00 0.00 0.00 59.36 58.32 2vg3 h GLU 284 Cb 0.89 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.98 2vg3 h GLU 284 CO 0.08 0.61 0.20 1.49 -1.00 0.00 0.00 179.01 180.39 2vg3 h GLU 285 N 0.64 0.40 -0.58 2.33 4.81 -1.14 -2.49 114.58 118.55 2vg3 h GLU 285 Ca 0.17 -0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.45 2vg3 h GLU 285 Cb 0.14 -0.09 -0.07 0.00 0.63 0.00 0.00 28.75 29.37 2vg3 h GLU 285 CO -0.02 0.26 0.23 -0.92 -0.73 0.00 0.00 179.01 177.83 2vg3 h TYR 286 N 0.41 0.40 0.00 0.92 3.20 -1.07 -1.56 116.97 119.28 2vg3 h TYR 286 Ca 0.17 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.07 2vg3 h TYR 286 Cb 0.07 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.25 2vg3 h TYR 286 CO -0.10 0.13 0.00 0.00 -1.64 0.00 0.00 178.16 176.55 2vg3 h ALA 287 N 1.38 1.00 0.00 1.82 0.00 -0.80 0.14 119.26 122.80 2vg3 h ALA 287 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2vg3 h ALA 287 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2vg3 h ALA 287 CO -0.27 0.00 -0.44 0.43 0.00 0.00 0.00 179.25 178.97 2vg3 n SER 288 N -2.48 0.49 -4.76 0.00 7.64 -0.59 -4.92 113.62 109.00 2vg3 n SER 288 Ca -0.01 0.01 -0.39 0.00 1.01 0.00 0.00 58.87 59.50 2vg3 n SER 288 Cb 0.11 0.07 -0.06 0.00 -1.01 0.00 0.00 64.21 63.32 2vg3 n SER 288 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2vg3 s ARG 289 N -3.05 4.72 -0.24 1.43 1.81 0.47 -5.05 118.95 119.04 2vg3 s ARG 289 Ca 0.10 1.36 -0.10 0.00 -1.72 0.00 0.00 55.73 55.36 2vg3 s ARG 289 Cb 0.16 -3.17 -0.05 0.00 -0.45 0.00 0.00 34.95 31.44 2vg3 s ARG 289 CO 0.68 0.49 0.15 0.99 -0.68 0.00 0.00 175.30 176.92 2vg3 s THR 290 N -1.26 5.27 -0.10 0.02 2.01 -1.26 -5.06 115.64 115.26 2vg3 s THR 290 Ca 0.41 0.15 -0.03 0.00 0.31 0.00 0.00 61.69 62.53 2vg3 s THR 290 Cb -0.24 -3.45 -0.03 0.00 0.01 0.00 0.00 72.50 68.79 2vg3 s THR 290 CO 0.29 0.36 0.01 -0.13 -0.69 0.00 0.00 174.62 174.45 2vg3 s ARG 291 N 1.02 3.12 -0.00 4.92 0.52 -1.26 -5.02 118.95 122.25 2vg3 s ARG 291 Ca 0.07 -0.40 0.00 0.00 -0.52 0.00 0.00 55.73 54.89 2vg3 s ARG 291 Cb -0.13 -2.85 -0.01 0.00 0.52 0.00 0.00 34.95 32.48 2vg3 s ARG 291 CO 0.04 0.64 0.01 0.54 0.02 0.00 0.00 175.30 176.55 2vg3 n ARG 292 N 2.33 0.97 -3.86 3.54 1.74 -1.26 -5.03 116.66 115.08 2vg3 n ARG 292 Ca -0.18 -0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.59 2vg3 n ARG 292 Cb 0.53 -1.01 -0.01 0.00 -1.02 0.00 0.00 32.46 30.96 2vg3 n ARG 292 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 2vg3 n PHE 293 N -1.64 -1.91 0.00 -1.55 3.01 -1.26 -1.42 117.46 112.70 2vg3 n PHE 293 Ca -0.00 0.72 0.00 0.00 1.01 0.00 0.00 57.45 59.18 2vg3 n PHE 293 Cb 0.13 -3.21 0.00 0.00 -0.01 0.00 0.00 39.48 36.39 2vg3 n PHE 293 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2vg3 n GLY 294 N -1.40 3.36 3.65 1.37 0.00 -1.26 -5.07 105.19 105.85 2vg3 n GLY 294 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.82 2.61 0.00 1.61 1.04 -0.51 -5.32 113.70 112.32 2vg3 s SER 295 Ca 0.00 1.42 0.26 0.00 0.48 0.00 0.00 55.95 58.12 2vg3 s SER 295 Cb 0.00 -2.10 1.57 0.00 0.10 0.00 0.00 66.02 65.58 2vg3 s SER 295 CO 0.00 -3.17 1.92 0.00 0.98 0.00 0.00 173.24 172.97