#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vga s LYS 4 N 0.00 4.29 0.71 5.56 2.20 -1.26 -5.01 119.74 126.23 1vga s LYS 4 Ca 0.00 1.31 -0.15 0.00 -0.36 0.00 0.00 55.97 56.76 1vga s LYS 4 Cb 0.00 -3.61 0.03 0.00 -1.51 0.00 0.00 37.83 32.73 1vga s LYS 4 CO 0.00 -0.53 1.20 0.71 -0.36 0.00 0.00 175.35 176.37 1vga s TYR 5 N 2.84 2.13 -0.12 4.03 2.02 -1.26 -4.84 117.35 122.15 1vga s TYR 5 Ca 0.44 1.58 -0.03 0.00 -0.37 0.00 0.00 57.07 58.69 1vga s TYR 5 Cb -0.16 -3.45 0.04 0.00 -0.40 0.00 0.00 41.96 37.99 1vga s TYR 5 CO 0.09 -2.50 0.05 0.12 -1.57 0.00 0.00 175.55 171.73 1vga s PHE 6 N -1.96 0.46 -0.27 2.71 2.19 -0.60 -1.59 117.98 118.93 1vga s PHE 6 Ca 0.74 -0.24 -0.00 0.00 0.33 0.00 0.00 56.93 57.76 1vga s PHE 6 Cb -0.29 -0.74 0.04 0.00 -1.31 0.00 0.00 43.02 40.73 1vga s PHE 6 CO 0.44 -0.40 -0.06 0.08 1.83 0.00 0.00 175.22 177.10 1vga s VAL 7 N 2.04 2.64 -0.01 3.12 1.01 -0.02 -1.77 120.40 127.42 1vga s VAL 7 Ca 0.03 -1.34 0.04 0.00 0.00 0.00 0.00 61.98 60.71 1vga s VAL 7 Cb -0.14 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.75 1vga s VAL 7 CO -0.06 0.04 -0.12 0.00 0.00 0.00 0.00 175.10 174.96 1vga s ALA 8 N 1.23 2.80 -0.32 5.51 0.00 0.02 -1.67 121.76 129.32 1vga s ALA 8 Ca -0.04 -1.04 -0.09 0.00 0.00 0.00 0.00 51.96 50.79 1vga s ALA 8 Cb -0.19 -0.99 0.01 0.00 0.00 0.00 0.00 23.12 21.95 1vga s ALA 8 CO -0.04 0.58 0.13 0.00 0.00 0.00 0.00 175.76 176.44 1vga s ALA 9 N -0.88 3.19 -0.62 0.00 0.00 0.11 -0.45 121.76 123.11 1vga s ALA 9 Ca 0.14 -1.51 -0.14 0.00 0.00 0.00 0.00 51.96 50.46 1vga s ALA 9 Cb -0.11 -2.34 0.16 0.00 0.00 0.00 0.00 23.12 20.83 1vga s ALA 9 CO 0.04 -1.04 0.55 1.21 0.00 0.00 0.00 175.76 176.52 1vga s ASN 10 N 1.54 6.24 0.00 0.00 2.47 0.74 -0.56 114.94 125.38 1vga s ASN 10 Ca 0.03 -2.12 0.15 0.00 0.42 0.00 0.00 52.86 51.34 1vga s ASN 10 Cb -0.18 -2.16 0.74 0.00 -1.45 0.00 0.00 41.25 38.20 1vga s ASN 10 CO 0.05 -0.73 1.43 0.79 -3.72 0.00 0.00 177.10 174.92 1vga n TRP 11 N 4.75 0.00 -2.26 0.43 8.01 -1.08 -4.44 117.44 122.86 1vga n TRP 11 Ca -0.04 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.15 1vga n TRP 11 Cb 0.42 -0.33 0.00 0.00 -2.01 0.00 0.00 31.31 29.39 1vga n TRP 11 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 1vga n LYS 12 N -1.33 0.00 -2.68 -0.99 5.02 -1.26 -2.73 118.16 114.19 1vga n LYS 12 Ca 0.06 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.93 1vga n LYS 12 Cb 0.13 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.15 1vga n LYS 12 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1vga s ASN 14 N -0.81 0.16 0.00 0.00 -0.87 -1.10 -5.14 114.94 107.18 1vga s ASN 14 Ca 0.36 -0.41 0.00 0.00 -1.57 0.00 0.00 52.86 51.24 1vga s ASN 14 Cb 0.09 0.15 0.00 0.00 -0.02 0.00 0.00 41.25 41.47 1vga s ASN 14 CO 0.04 -0.35 0.00 0.61 -2.57 0.00 0.00 177.10 174.82 1vga n GLY 15 N 1.43 3.62 3.35 0.66 0.00 -1.26 -4.76 105.19 108.23 1vga n GLY 15 Ca -0.23 -1.64 -0.18 0.00 0.00 0.00 0.00 46.02 43.97 1vga n GLY 15 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1vga s THR 16 N -1.88 1.17 0.21 2.61 -4.23 -1.26 -5.00 115.64 107.26 1vga s THR 16 Ca 0.00 -2.05 -0.08 0.00 -1.18 0.00 0.00 61.69 58.37 1vga s THR 16 Cb 0.00 -2.34 0.15 0.00 1.34 0.00 0.00 72.50 71.65 1vga s THR 16 CO 0.00 -0.34 1.79 -0.07 -0.54 0.00 0.00 174.62 175.46 1vga h LEU 17 N 2.45 0.47 -0.35 4.79 3.38 -2.00 -1.48 115.31 122.57 1vga h LEU 17 Ca -0.39 0.05 -0.12 0.00 0.09 0.00 0.00 57.88 57.51 1vga h LEU 17 Cb 1.22 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 1vga h LEU 17 CO 0.65 0.29 -0.24 -0.33 0.09 0.00 0.00 178.44 178.90 1vga h GLU 18 N 0.62 0.78 -0.52 1.13 4.39 -1.99 -2.11 114.58 116.88 1vga h GLU 18 Ca 0.32 -0.37 -0.04 0.00 0.34 0.00 0.00 59.36 59.60 1vga h GLU 18 Cb 0.28 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.90 1vga h GLU 18 CO -0.23 1.00 0.16 0.66 -1.16 0.00 0.00 179.01 179.44 1vga h SER 19 N 0.57 0.72 -0.50 1.42 4.64 -1.88 -1.83 113.55 116.69 1vga h SER 19 Ca 0.07 -0.11 -0.10 0.00 -0.47 0.00 0.00 61.79 61.18 1vga h SER 19 Cb 0.80 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.69 1vga h SER 19 CO 0.07 0.68 -0.07 0.40 -0.87 0.00 0.00 176.83 177.04 1vga h ILE 20 N 0.76 1.27 0.02 0.95 1.08 -1.20 -0.61 117.51 119.78 1vga h ILE 20 Ca 0.18 -1.19 0.02 0.00 -0.39 0.00 0.00 64.86 63.47 1vga h ILE 20 Cb 0.23 1.03 -0.02 0.00 -3.07 0.00 0.00 36.82 34.98 1vga h ILE 20 CO -0.01 0.41 -0.11 0.11 -0.69 0.00 0.00 178.15 177.86 1vga h LYS 21 N 0.78 -0.19 -0.48 2.37 1.57 -0.82 0.90 116.57 120.70 1vga h LYS 21 Ca 0.13 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 1vga h LYS 21 Cb 0.61 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.94 1vga h LYS 21 CO 0.04 -0.13 0.27 0.77 -0.57 0.00 0.00 179.45 179.83 1vga h SER 22 N -0.20 0.59 -0.25 0.86 0.02 -1.24 -1.87 113.55 111.47 1vga h SER 22 Ca 0.03 -0.08 -0.04 0.00 -0.84 0.00 0.00 61.79 60.87 1vga h SER 22 Cb 0.24 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 1vga h SER 22 CO -0.10 0.50 0.02 0.25 -1.14 0.00 0.00 176.83 176.36 1vga h LEU 23 N 0.64 0.42 -1.25 5.07 5.85 -0.90 -2.64 115.31 122.49 1vga h LEU 23 Ca 0.17 -0.29 -0.04 0.00 0.84 0.00 0.00 57.88 58.56 1vga h LEU 23 Cb 0.03 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 1vga h LEU 23 CO -0.03 0.60 0.08 0.71 -0.34 0.00 0.00 178.44 179.47 1vga h THR 24 N 0.22 1.19 -0.41 1.05 1.35 -0.76 -1.16 112.91 114.39 1vga h THR 24 Ca 0.07 -0.68 0.00 0.00 -0.55 0.00 0.00 66.41 65.25 1vga h THR 24 Cb 0.37 0.79 -0.02 0.00 -1.73 0.00 0.00 68.15 67.57 1vga h THR 24 CO 0.01 0.25 0.27 0.78 -0.25 0.00 0.00 175.52 176.58 1vga h ASN 25 N 0.59 0.47 -0.78 5.36 2.35 -1.20 -0.04 115.58 122.33 1vga h ASN 25 Ca 0.13 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 1vga h ASN 25 Cb 0.25 -0.12 -0.04 0.00 0.05 0.00 0.00 38.32 38.46 1vga h ASN 25 CO -0.00 0.34 0.51 0.28 -1.65 0.00 0.00 177.43 176.91 1vga h SER 26 N 0.55 0.91 -0.47 5.81 0.02 -1.00 -2.80 113.55 116.57 1vga h SER 26 Ca 0.15 -0.03 -0.06 0.00 -0.84 0.00 0.00 61.79 61.01 1vga h SER 26 Cb -0.06 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.23 1vga h SER 26 CO -0.03 0.67 0.07 -0.26 -1.14 0.00 0.00 176.83 176.13 1vga h PHE 27 N 1.06 0.84 0.00 3.45 -1.00 -0.77 -2.83 116.94 117.70 1vga h PHE 27 Ca 0.29 -0.12 0.00 0.00 2.81 0.00 0.00 57.97 60.94 1vga h PHE 27 Cb -0.10 -0.23 0.00 0.00 3.61 0.00 0.00 35.95 39.23 1vga h PHE 27 CO -0.02 0.79 0.00 -0.91 -1.61 0.00 0.00 178.31 176.56 1vga h ASN 28 N 0.66 0.00 1.06 2.17 2.35 -0.75 -1.23 115.58 119.84 1vga h ASN 28 Ca 0.14 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.85 1vga h ASN 28 Cb 0.41 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.77 1vga h ASN 28 CO 0.01 0.00 -0.20 0.78 -1.65 0.00 0.00 177.43 176.37 1vga h ASN 29 N 0.00 0.00 -3.13 5.81 -0.26 -1.41 -3.44 115.58 113.15 1vga h ASN 29 Ca 0.00 0.00 -0.55 0.00 -0.56 0.00 0.00 56.30 55.19 1vga h ASN 29 Cb 0.03 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.27 1vga h ASN 29 CO 0.00 0.20 0.65 -0.22 -1.06 0.00 0.00 177.43 177.01 1vga s LEU 30 N -6.63 4.29 -0.44 1.61 2.96 -0.47 -5.00 118.68 115.00 1vga s LEU 30 Ca 0.01 1.80 -0.16 0.00 -0.22 0.00 0.00 54.13 55.56 1vga s LEU 30 Cb 0.09 -3.56 0.04 0.00 0.50 0.00 0.00 46.19 43.27 1vga s LEU 30 CO 0.64 -0.54 0.40 -0.62 -1.32 0.00 0.00 176.35 174.90 1vga s ASP 31 N 1.36 6.16 0.08 3.68 2.15 -1.26 -5.04 116.67 123.79 1vga s ASP 31 Ca 0.55 -0.99 -0.00 0.00 0.43 0.00 0.00 52.55 52.54 1vga s ASP 31 Cb -0.24 -2.20 -0.04 0.00 -0.30 0.00 0.00 42.92 40.14 1vga s ASP 31 CO 0.23 -0.59 -0.03 0.72 -0.17 0.00 0.00 175.17 175.33 1vga s PHE 32 N 1.88 0.67 -0.44 -5.34 -0.71 -1.26 -5.13 117.98 107.65 1vga s PHE 32 Ca 0.07 -1.05 -0.17 0.00 -1.04 0.00 0.00 56.93 54.73 1vga s PHE 32 Cb -0.20 -0.44 0.03 0.00 -1.21 0.00 0.00 43.02 41.20 1vga s PHE 32 CO 0.10 -0.34 0.47 0.34 -1.34 0.00 0.00 175.22 174.45 1vga s ASP 33 N -2.97 6.20 0.18 1.98 -1.08 -1.26 -4.94 116.67 114.77 1vga s ASP 33 Ca 0.11 -0.78 0.14 0.00 -0.52 0.00 0.00 52.55 51.50 1vga s ASP 33 Cb 0.07 -2.23 0.72 0.00 -1.46 0.00 0.00 42.92 40.02 1vga s ASP 33 CO -0.07 -0.65 1.43 -0.81 0.52 0.00 0.00 175.17 175.59 1vga n PRO 34 N 5.67 0.09 0.09 4.34 -0.04 -1.26 -0.83 135.00 143.06 1vga n PRO 34 Ca -0.08 0.54 0.12 0.00 -0.04 0.00 0.00 63.50 64.05 1vga n PRO 34 Cb 0.47 -1.76 0.20 0.00 -0.04 0.00 0.00 33.50 32.36 1vga n PRO 34 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1vga h SER 35 N 0.00 0.00 0.00 3.54 4.64 -1.95 -3.34 113.55 116.44 1vga h SER 35 Ca 0.00 -0.11 -0.04 0.00 -0.47 0.00 0.00 61.79 61.17 1vga h SER 35 Cb 0.06 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.14 1vga h SER 35 CO 0.00 0.06 -1.78 0.29 -0.87 0.00 0.00 176.83 174.52 1vga n LYS 36 N -2.32 0.63 -3.75 4.77 5.02 -0.01 -5.00 118.16 117.50 1vga n LYS 36 Ca 0.03 -0.13 -0.12 0.00 -2.02 0.00 0.00 58.31 56.07 1vga n LYS 36 Cb 0.46 -1.39 -0.11 0.00 -0.02 0.00 0.00 35.03 33.97 1vga n LYS 36 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1vga s LEU 37 N -4.26 0.58 -0.15 -0.35 2.96 -0.71 -4.46 118.68 112.29 1vga s LEU 37 Ca -0.06 0.67 -0.15 0.00 -0.22 0.00 0.00 54.13 54.36 1vga s LEU 37 Cb 0.10 1.08 -0.04 0.00 0.50 0.00 0.00 46.19 47.83 1vga s LEU 37 CO 0.67 -0.13 0.36 -1.81 -1.32 0.00 0.00 176.35 174.12 1vga s ASP 38 N 0.53 6.51 -0.16 3.68 1.01 -0.62 -4.23 116.67 123.38 1vga s ASP 38 Ca -0.03 0.60 -0.01 0.00 0.71 0.00 0.00 52.55 53.82 1vga s ASP 38 Cb -0.04 -2.22 0.04 0.00 1.01 0.00 0.00 42.92 41.71 1vga s ASP 38 CO -0.03 0.04 -0.05 -0.69 0.21 0.00 0.00 175.17 174.66 1vga s VAL 39 N 0.65 1.02 -0.06 -1.27 1.01 -1.26 -0.84 120.40 119.66 1vga s VAL 39 Ca 0.20 -0.55 0.06 0.00 0.00 0.00 0.00 61.98 61.69 1vga s VAL 39 Cb -0.14 -1.20 -0.01 0.00 0.00 0.00 0.00 36.38 35.03 1vga s VAL 39 CO 0.06 0.13 -0.25 -0.69 0.00 0.00 0.00 175.10 174.36 1vga s VAL 40 N 1.67 2.10 -0.14 2.92 1.01 -0.67 -0.19 120.40 127.10 1vga s VAL 40 Ca 0.01 -1.05 -0.01 0.00 0.00 0.00 0.00 61.98 60.93 1vga s VAL 40 Cb -0.15 -1.76 -0.02 0.00 0.00 0.00 0.00 36.38 34.46 1vga s VAL 40 CO -0.08 0.57 -0.10 -0.69 0.00 0.00 0.00 175.10 174.80 1vga s VAL 41 N -0.21 3.29 -0.61 2.92 1.01 -0.10 0.07 120.40 126.77 1vga s VAL 41 Ca -0.02 -0.57 -0.02 0.00 0.00 0.00 0.00 61.98 61.37 1vga s VAL 41 Cb -0.13 -2.41 0.16 0.00 0.00 0.00 0.00 36.38 34.00 1vga s VAL 41 CO 0.03 0.51 0.41 -0.36 0.00 0.00 0.00 175.10 175.70 1vga s PHE 42 N 0.42 3.37 0.76 5.22 0.08 0.28 -2.23 117.98 125.88 1vga s PHE 42 Ca -0.08 -2.81 -0.07 0.00 0.12 0.00 0.00 56.93 54.08 1vga s PHE 42 Cb -0.15 -3.13 0.10 0.00 -0.57 0.00 0.00 43.02 39.27 1vga s PHE 42 CO 0.04 -0.82 1.08 -1.25 -0.10 0.00 0.00 175.22 174.17 1vga s PRO 43 N -0.14 1.76 0.54 0.24 0.04 -1.25 -2.65 135.00 133.54 1vga s PRO 43 Ca 0.17 -0.46 -0.21 0.00 0.04 0.00 0.00 61.00 60.54 1vga s PRO 43 Cb -0.21 -2.13 -0.05 0.00 0.04 0.00 0.00 34.50 32.14 1vga s PRO 43 CO -0.03 -1.53 1.27 0.08 0.04 0.00 0.00 177.00 176.83 1vga s VAL 44 N -3.36 2.49 0.21 -0.36 1.01 -1.26 -4.37 120.40 114.76 1vga s VAL 44 Ca 0.64 0.35 -0.17 0.00 0.00 0.00 0.00 61.98 62.80 1vga s VAL 44 Cb -0.08 -3.17 0.22 0.00 0.00 0.00 0.00 36.38 33.35 1vga s VAL 44 CO 0.46 -0.02 1.58 0.77 0.00 0.00 0.00 175.10 177.89 1vga h SER 45 N 1.43 -1.07 0.42 3.32 4.64 -1.95 0.21 113.55 120.56 1vga h SER 45 Ca -0.50 0.25 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1vga h SER 45 Cb 1.29 0.58 0.00 0.00 -0.31 0.00 0.00 62.40 63.96 1vga h SER 45 CO 0.57 -0.29 0.00 1.33 -0.87 0.00 0.00 176.83 177.58 1vga n VAL 46 N -5.47 0.65 0.91 0.95 0.24 -1.26 -2.03 118.33 112.31 1vga n VAL 46 Ca 0.08 0.16 0.10 0.00 -2.04 0.00 0.00 64.34 62.64 1vga n VAL 46 Cb 0.38 -0.88 -0.03 0.00 -1.47 0.00 0.00 33.84 31.84 1vga n VAL 46 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 1vga n HIS 47 N -1.37 0.00 -0.02 6.34 -0.00 0.66 -4.63 115.22 116.19 1vga n HIS 47 Ca 0.06 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.69 1vga n HIS 47 Cb 0.16 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 30.11 1vga n HIS 47 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.34 175.42 1vga h TYR 48 N 1.75 -0.01 -0.20 4.41 5.03 -0.76 -0.00 116.97 127.18 1vga h TYR 48 Ca 0.00 0.01 0.03 0.00 2.58 0.00 0.00 58.73 61.35 1vga h TYR 48 Cb 0.64 0.03 -0.03 0.00 1.55 0.00 0.00 36.73 38.92 1vga h TYR 48 CO 0.00 -0.02 0.03 0.22 -1.32 0.00 0.00 178.16 177.07 1vga h ASP 49 N 0.05 -0.00 -0.10 -2.11 3.58 -1.82 0.35 116.42 116.37 1vga h ASP 49 Ca 0.07 0.03 0.01 0.00 0.42 0.00 0.00 57.03 57.56 1vga h ASP 49 Cb 0.09 0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.17 1vga h ASP 49 CO -0.12 0.03 0.02 -0.74 -2.88 0.00 0.00 179.24 175.55 1vga h HIS 50 N 0.11 0.04 -0.32 0.28 2.76 -1.83 -2.09 115.15 114.11 1vga h HIS 50 Ca 0.09 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.26 1vga h HIS 50 Cb 0.09 -0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.03 1vga h HIS 50 CO -0.15 0.02 0.18 1.15 -1.30 0.00 0.00 177.93 177.83 1vga h THR 51 N 0.07 1.13 -0.74 6.26 2.02 -0.72 -2.07 112.91 118.85 1vga h THR 51 Ca 0.04 -0.33 -0.04 0.00 0.77 0.00 0.00 66.41 66.84 1vga h THR 51 Cb 0.03 0.77 -0.03 0.00 -1.74 0.00 0.00 68.15 67.18 1vga h THR 51 CO -0.05 0.13 0.29 -0.09 0.37 0.00 0.00 175.52 176.17 1vga h ARG 52 N 0.40 1.11 -0.05 6.66 9.65 -0.84 -0.89 114.38 130.41 1vga h ARG 52 Ca 0.11 -0.20 -0.13 0.00 -1.10 0.00 0.00 59.98 58.66 1vga h ARG 52 Cb 0.05 -0.18 -0.01 0.00 -1.39 0.00 0.00 29.97 28.44 1vga h ARG 52 CO -0.02 0.91 -0.57 1.57 2.80 0.00 0.00 179.97 184.66 1vga h LYS 53 N 1.08 0.15 0.06 0.20 2.10 -1.25 -3.25 116.57 115.66 1vga h LYS 53 Ca 0.25 -0.09 -0.24 0.00 -2.00 0.00 0.00 60.65 58.56 1vga h LYS 53 Cb 0.22 0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.56 1vga h LYS 53 CO -0.02 0.67 -1.06 -0.07 -2.00 0.00 0.00 179.45 176.97 1vga h LEU 54 N 0.11 0.48 -9.58 7.07 3.38 -1.00 -3.45 115.31 112.32 1vga h LEU 54 Ca -0.00 -0.43 -0.52 0.00 0.09 0.00 0.00 57.88 57.02 1vga h LEU 54 Cb 1.03 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 1vga h LEU 54 CO 0.08 1.27 0.38 -0.76 0.09 0.00 0.00 178.44 179.50 1vga s LEU 55 N -7.48 4.50 0.72 1.67 1.43 -0.37 -4.89 118.68 114.26 1vga s LEU 55 Ca -0.05 1.83 -0.15 0.00 -1.03 0.00 0.00 54.13 54.73 1vga s LEU 55 Cb 0.08 -3.59 0.03 0.00 0.03 0.00 0.00 46.19 42.75 1vga s LEU 55 CO 0.87 -0.09 1.20 -1.10 0.23 0.00 0.00 176.35 177.46 1vga s GLN 56 N -0.03 2.21 0.60 1.70 -0.21 -1.26 -4.87 119.66 117.80 1vga s GLN 56 Ca 0.47 1.73 0.29 0.00 0.02 0.00 0.00 55.36 57.88 1vga s GLN 56 Cb -0.24 -1.84 1.54 0.00 1.00 0.00 0.00 33.01 33.46 1vga s GLN 56 CO 0.30 -1.77 1.94 0.66 -2.12 0.00 0.00 175.29 174.30 1vga h SER 57 N -0.24 0.00 -0.11 5.90 4.64 -1.95 -0.78 113.55 121.00 1vga h SER 57 Ca -0.48 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 60.88 1vga h SER 57 Cb 1.29 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1vga h SER 57 CO 0.50 0.00 0.08 0.07 -0.87 0.00 0.00 176.83 176.62 1vga h LYS 58 N 0.00 0.00 -6.22 4.77 2.10 -1.95 -3.40 116.57 111.87 1vga h LYS 58 Ca 0.16 0.00 -0.55 0.00 -2.00 0.00 0.00 60.65 58.26 1vga h LYS 58 Cb 0.96 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.25 1vga h LYS 58 CO -0.00 0.00 0.13 -0.06 -2.00 0.00 0.00 179.45 177.52 1vga s PHE 59 N -5.04 3.69 0.39 0.07 0.08 -0.30 -4.67 117.98 112.21 1vga s PHE 59 Ca -0.05 1.40 0.00 0.00 0.12 0.00 0.00 56.93 58.40 1vga s PHE 59 Cb 0.17 -2.80 -0.02 0.00 -0.57 0.00 0.00 43.02 39.80 1vga s PHE 59 CO 0.68 0.24 0.61 -1.12 -0.10 0.00 0.00 175.22 175.53 1vga s SER 60 N 0.14 6.13 0.06 1.36 0.01 0.74 -4.89 113.70 117.24 1vga s SER 60 Ca 0.38 0.43 -0.00 0.00 1.31 0.00 0.00 55.95 58.06 1vga s SER 60 Cb -0.20 -1.87 -0.04 0.00 0.21 0.00 0.00 66.02 64.12 1vga s SER 60 CO 0.21 -0.46 -0.04 0.42 0.41 0.00 0.00 173.24 173.78 1vga s THR 61 N -2.43 0.35 0.10 1.44 -4.23 -1.26 -0.92 115.64 108.68 1vga s THR 61 Ca 0.43 -1.82 -0.05 0.00 -1.18 0.00 0.00 61.69 59.07 1vga s THR 61 Cb -0.10 -1.54 0.02 0.00 1.34 0.00 0.00 72.50 72.23 1vga s THR 61 CO 0.37 -0.95 0.26 0.61 -0.54 0.00 0.00 174.62 174.38 1vga n GLY 62 N 0.10 1.47 3.46 3.99 0.00 -0.95 -2.82 105.19 110.44 1vga n GLY 62 Ca -0.14 -1.05 -0.26 0.00 0.00 0.00 0.00 46.02 44.58 1vga n GLY 62 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1vga s ILE 63 N -2.61 2.48 -1.57 -0.61 -4.36 -0.48 -3.90 121.20 110.14 1vga s ILE 63 Ca 0.06 -2.17 0.25 0.00 -0.26 0.00 0.00 60.65 58.53 1vga s ILE 63 Cb -0.01 -2.24 0.51 0.00 1.25 0.00 0.00 42.46 41.97 1vga s ILE 63 CO 0.03 -0.24 1.85 0.00 0.24 0.00 0.00 174.94 176.82 1vga n GLN 64 N -0.15 0.47 -3.53 0.37 6.02 -1.26 -1.33 117.38 117.96 1vga n GLN 64 Ca -0.09 0.04 -0.07 0.00 -0.01 0.00 0.00 57.00 56.86 1vga n GLN 64 Cb 0.58 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 30.32 1vga n GLN 64 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1vga s ASN 65 N -2.43 -0.30 0.07 1.08 2.47 -1.23 -4.40 114.94 110.20 1vga s ASN 65 Ca 0.27 0.02 -0.10 0.00 0.42 0.00 0.00 52.86 53.48 1vga s ASN 65 Cb 0.17 0.31 0.00 0.00 -1.45 0.00 0.00 41.25 40.28 1vga s ASN 65 CO 0.36 -0.49 0.21 0.54 -3.72 0.00 0.00 177.10 174.00 1vga s VAL 66 N -2.80 0.12 0.49 -5.21 0.11 -1.26 -4.82 120.40 107.03 1vga s VAL 66 Ca 0.06 -1.01 -0.19 0.00 -2.93 0.00 0.00 61.98 57.91 1vga s VAL 66 Cb -0.01 -1.15 -0.08 0.00 -1.53 0.00 0.00 36.38 33.61 1vga s VAL 66 CO -0.07 -0.56 1.01 -0.55 -3.33 0.00 0.00 175.10 171.60 1vga s SER 67 N -2.51 6.46 0.00 3.54 0.15 0.02 -4.93 113.70 116.43 1vga s SER 67 Ca 0.00 1.78 0.26 0.00 0.70 0.00 0.00 55.95 58.69 1vga s SER 67 Cb 0.02 -2.54 0.70 0.00 -1.71 0.00 0.00 66.02 62.49 1vga s SER 67 CO -0.08 -0.69 1.54 2.29 1.20 0.00 0.00 173.24 177.50 1vga n LYS 68 N -1.16 0.15 -3.93 5.44 2.85 -1.26 -4.62 118.16 115.62 1vga n LYS 68 Ca 0.08 -0.08 -0.21 0.00 -1.05 0.00 0.00 58.31 57.05 1vga n LYS 68 Cb 0.53 -1.50 -0.04 0.00 -0.65 0.00 0.00 35.03 33.38 1vga n LYS 68 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 1vga s PHE 69 N -2.90 3.03 0.00 5.58 0.08 -1.26 -4.69 117.98 117.82 1vga s PHE 69 Ca 0.14 -0.20 0.00 0.00 0.12 0.00 0.00 56.93 56.99 1vga s PHE 69 Cb 0.18 -1.63 0.00 0.00 -0.57 0.00 0.00 43.02 41.00 1vga s PHE 69 CO 0.64 0.33 0.00 0.41 -0.10 0.00 0.00 175.22 176.50 1vga n GLY 70 N -1.31 0.78 3.76 4.36 0.00 -1.26 -4.52 105.19 107.00 1vga n GLY 70 Ca -0.05 -1.87 -0.38 0.00 0.00 0.00 0.00 46.02 43.72 1vga n GLY 70 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1vga s ASN 71 N -1.00 5.70 0.00 1.61 0.02 -1.26 -4.83 114.94 115.18 1vga s ASN 71 Ca 0.00 2.58 0.00 0.00 -1.02 0.00 0.00 52.86 54.42 1vga s ASN 71 Cb 0.00 -2.62 0.00 0.00 0.02 0.00 0.00 41.25 38.65 1vga s ASN 71 CO 0.00 -1.26 0.00 0.61 0.02 0.00 0.00 177.10 176.47 1vga n GLY 72 N 0.60 -0.26 3.10 0.66 0.00 -1.26 -5.00 105.19 103.04 1vga n GLY 72 Ca 0.09 -1.33 -0.42 0.00 0.00 0.00 0.00 46.02 44.35 1vga n GLY 72 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1vga n SER 73 N 0.65 4.33 -3.31 1.61 7.64 -1.26 -4.69 113.62 118.58 1vga n SER 73 Ca 0.00 -2.87 -0.25 0.00 1.01 0.00 0.00 58.87 56.75 1vga n SER 73 Cb 0.00 -1.70 -0.08 0.00 -1.01 0.00 0.00 64.21 61.42 1vga n SER 73 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1vga n TYR 74 N 7.13 0.25 -1.60 1.43 4.01 -1.26 -5.11 117.16 122.02 1vga n TYR 74 Ca 0.51 -3.62 -0.51 0.00 -0.16 0.00 0.00 57.90 54.11 1vga n TYR 74 Cb 0.42 -0.24 -0.06 0.00 -0.31 0.00 0.00 39.34 39.15 1vga n TYR 74 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 1vga n THR 75 N 1.71 0.05 -0.33 -0.72 -1.04 -1.26 -1.87 114.28 110.82 1vga n THR 75 Ca 0.24 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.24 1vga n THR 75 Cb 0.49 -0.90 0.00 0.00 -1.82 0.00 0.00 70.33 68.10 1vga n THR 75 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1vga n GLY 76 N 2.59 1.34 3.95 3.41 0.00 -1.26 -5.05 105.19 110.17 1vga n GLY 76 Ca 0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 1vga n GLY 76 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1vga s GLU 77 N -0.36 3.45 -0.23 1.61 0.41 -0.78 -5.09 118.70 117.70 1vga s GLU 77 Ca 0.00 -0.61 0.02 0.00 -0.41 0.00 0.00 54.97 53.97 1vga s GLU 77 Cb 0.00 -2.93 0.04 0.00 -1.78 0.00 0.00 34.13 29.47 1vga s GLU 77 CO 0.00 0.48 -0.14 0.08 -0.49 0.00 0.00 175.26 175.19 1vga s VAL 78 N -1.83 2.09 0.62 2.63 1.01 -1.26 -5.01 120.40 118.65 1vga s VAL 78 Ca 0.35 -1.34 -0.11 0.00 0.00 0.00 0.00 61.98 60.88 1vga s VAL 78 Cb -0.10 -2.09 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 1vga s VAL 78 CO 0.29 0.19 1.03 -0.94 0.00 0.00 0.00 175.10 175.67 1vga s SER 79 N 1.19 6.18 0.36 3.32 1.04 -1.26 -0.80 113.70 123.73 1vga s SER 79 Ca -0.03 1.43 0.05 0.00 0.48 0.00 0.00 55.95 57.87 1vga s SER 79 Cb -0.17 -2.47 0.67 0.00 0.10 0.00 0.00 66.02 64.15 1vga s SER 79 CO -0.08 -0.90 1.93 0.00 0.98 0.00 0.00 173.24 175.17 1vga h ALA 80 N -0.34 1.47 -0.66 5.32 0.00 -1.82 -1.67 119.26 121.56 1vga h ALA 80 Ca -0.44 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.27 1vga h ALA 80 Cb 1.19 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 1vga h ALA 80 CO 0.62 0.39 0.20 0.93 0.00 0.00 0.00 179.25 181.39 1vga h GLU 81 N 0.54 1.03 -0.60 0.00 3.07 -1.92 -0.36 114.58 116.33 1vga h GLU 81 Ca 0.13 -0.23 -0.10 0.00 -0.50 0.00 0.00 59.36 58.66 1vga h GLU 81 Cb 0.20 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 27.95 1vga h GLU 81 CO -0.00 0.91 -0.02 0.82 -1.40 0.00 0.00 179.01 179.32 1vga h ILE 82 N 0.96 1.27 -0.65 3.13 2.04 -1.78 -1.74 117.51 120.74 1vga h ILE 82 Ca 0.21 -1.17 -0.03 0.00 1.00 0.00 0.00 64.86 64.86 1vga h ILE 82 Cb 0.31 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 1vga h ILE 82 CO -0.00 0.43 0.27 0.00 0.00 0.00 0.00 178.15 178.84 1vga h ALA 83 N 1.00 0.84 -0.58 1.87 0.00 -0.95 -2.38 119.26 119.07 1vga h ALA 83 Ca 0.17 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1vga h ALA 83 Cb 0.58 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1vga h ALA 83 CO 0.03 0.45 0.25 -0.22 0.00 0.00 0.00 179.25 179.76 1vga h LYS 84 N 0.91 0.85 -0.16 0.00 3.64 -0.86 -0.49 116.57 120.47 1vga h LYS 84 Ca 0.22 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 1vga h LYS 84 Cb 0.18 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 1vga h LYS 84 CO -0.02 0.72 0.05 0.22 -2.27 0.00 0.00 179.45 178.15 1vga h ASP 85 N 0.79 0.19 -0.14 4.20 3.58 -1.06 -0.43 116.42 123.55 1vga h ASP 85 Ca 0.19 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.63 1vga h ASP 85 Cb 0.17 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.17 1vga h ASP 85 CO -0.02 0.19 0.00 0.18 -2.88 0.00 0.00 179.24 176.71 1vga n LEU 86 N -4.46 1.55 -2.51 2.28 4.77 -0.92 -4.92 117.00 112.80 1vga n LEU 86 Ca -0.01 -0.64 -0.20 0.00 -0.03 0.00 0.00 56.01 55.13 1vga n LEU 86 Cb 0.12 -0.09 0.01 0.00 -2.33 0.00 0.00 43.42 41.13 1vga n LEU 86 CO 0.35 0.32 -0.13 0.59 -1.33 0.00 0.00 177.39 177.19 1vga n ASN 87 N 0.24 -5.72 -4.68 -1.43 5.03 -0.17 -4.94 115.26 103.59 1vga n ASN 87 Ca 0.16 -0.14 -0.43 0.00 0.87 0.00 0.00 54.58 55.05 1vga n ASN 87 Cb 0.32 -4.66 -0.02 0.00 -1.02 0.00 0.00 39.78 34.40 1vga n ASN 87 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1vga s ILE 88 N -3.05 4.59 0.02 2.41 1.01 -0.24 -4.94 121.20 120.99 1vga s ILE 88 Ca 0.13 1.89 -0.16 0.00 0.00 0.00 0.00 60.65 62.51 1vga s ILE 88 Cb -0.06 -4.22 -0.35 0.00 0.01 0.00 0.00 42.46 37.84 1vga s ILE 88 CO 0.17 -0.05 0.96 -0.08 0.00 0.00 0.00 174.94 175.93 1vga h GLU 89 N 7.37 0.51 -6.05 2.79 4.81 -1.86 -3.41 114.58 118.74 1vga h GLU 89 Ca -0.28 -0.88 -0.56 0.00 -0.13 0.00 0.00 59.36 57.50 1vga h GLU 89 Cb 1.12 0.33 -0.15 0.00 0.63 0.00 0.00 28.75 30.68 1vga h GLU 89 CO 0.90 1.42 -0.76 0.71 -0.73 0.00 0.00 179.01 180.55 1vga s TYR 90 N -2.58 2.09 -0.00 0.92 2.02 -1.13 -1.38 117.35 117.28 1vga s TYR 90 Ca -0.10 -0.41 -0.01 0.00 -0.37 0.00 0.00 57.07 56.18 1vga s TYR 90 Cb 0.04 -0.94 -0.00 0.00 -0.40 0.00 0.00 41.96 40.65 1vga s TYR 90 CO 0.93 0.56 0.02 0.14 -1.57 0.00 0.00 175.55 175.64 1vga s VAL 91 N -2.51 0.03 -0.12 0.71 -7.23 -0.74 -1.38 120.40 109.15 1vga s VAL 91 Ca 0.26 -0.26 -0.11 0.00 -1.81 0.00 0.00 61.98 60.06 1vga s VAL 91 Cb -0.04 -0.12 -0.05 0.00 0.56 0.00 0.00 36.38 36.73 1vga s VAL 91 CO 0.11 -0.14 0.23 -0.63 -0.31 0.00 0.00 175.10 174.36 1vga s ILE 92 N -0.42 5.35 -0.03 -0.62 1.01 -0.44 -1.05 121.20 125.00 1vga s ILE 92 Ca -0.05 0.41 0.03 0.00 0.00 0.00 0.00 60.65 61.04 1vga s ILE 92 Cb -0.03 -3.53 -0.00 0.00 0.01 0.00 0.00 42.46 38.91 1vga s ILE 92 CO -0.00 0.53 -0.12 -0.63 0.00 0.00 0.00 174.94 174.72 1vga s ILE 93 N -0.45 0.98 -0.29 2.92 -1.09 0.22 -3.51 121.20 119.99 1vga s ILE 93 Ca 0.16 -0.49 0.00 0.00 -2.23 0.00 0.00 60.65 58.09 1vga s ILE 93 Cb -0.13 -0.85 0.00 0.00 -1.58 0.00 0.00 42.46 39.90 1vga s ILE 93 CO 0.05 0.29 0.00 0.61 -1.23 0.00 0.00 174.94 174.66 1vga n GLY 94 N 3.11 0.60 3.65 6.18 0.00 -1.26 -0.36 105.19 117.11 1vga n GLY 94 Ca -0.17 -0.53 -0.44 0.00 0.00 0.00 0.00 46.02 44.88 1vga n GLY 94 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1vga n HIS 95 N -2.84 1.92 0.18 1.61 -0.00 -1.26 -4.39 115.22 110.45 1vga n HIS 95 Ca -0.03 0.56 0.18 0.00 -0.00 0.00 0.00 57.72 58.44 1vga n HIS 95 Cb 0.13 -2.38 0.80 0.00 -0.00 0.00 0.00 29.99 28.54 1vga n HIS 95 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.34 176.61 1vga h PHE 96 N 3.05 0.00 0.00 1.57 -0.00 -1.94 -0.01 116.94 119.62 1vga h PHE 96 Ca -0.44 0.00 -0.09 0.00 -0.00 0.00 0.00 57.97 57.44 1vga h PHE 96 Cb 1.30 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 37.24 1vga h PHE 96 CO 0.52 0.00 -0.43 0.93 -0.00 0.00 0.00 178.31 179.33 1vga h GLU 97 N 0.00 0.00 0.00 6.09 5.08 -1.98 0.32 114.58 124.08 1vga h GLU 97 Ca 0.12 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.25 1vga h GLU 97 Cb 0.81 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.02 1vga h GLU 97 CO -0.00 0.43 -1.14 0.00 -1.00 0.00 0.00 179.01 177.30 1vga h ARG 98 N 0.00 0.00 -0.00 2.33 3.08 -1.33 -0.89 114.38 117.57 1vga h ARG 98 Ca -0.00 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.89 1vga h ARG 98 Cb 0.90 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.93 1vga h ARG 98 CO 0.06 0.88 -0.74 0.00 -1.07 0.00 0.00 179.97 179.10 1vga h ARG 99 N 0.00 0.01 0.03 0.04 3.08 -1.27 -0.78 114.38 115.49 1vga h ARG 99 Ca -0.07 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 1vga h ARG 99 Cb 1.81 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.86 1vga h ARG 99 CO 0.12 0.74 -0.01 -0.22 -1.07 0.00 0.00 179.97 179.52 1vga h LYS 100 N 0.00 -0.04 0.00 0.04 3.64 -0.33 -3.36 116.57 116.52 1vga h LYS 100 Ca -0.01 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.21 1vga h LYS 100 Cb 1.30 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 33.10 1vga h LYS 100 CO 0.10 0.65 -1.79 0.66 -2.27 0.00 0.00 179.45 176.80 1vga n TYR 101 N -4.73 0.48 -1.64 1.91 4.01 -0.34 -4.57 117.16 112.28 1vga n TYR 101 Ca -0.08 0.16 0.00 0.00 -0.16 0.00 0.00 57.90 57.82 1vga n TYR 101 Cb 0.34 -0.91 0.18 0.00 -0.31 0.00 0.00 39.34 38.65 1vga n TYR 101 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1vga n PHE 102 N -2.68 0.53 -3.05 -0.72 3.72 -0.33 -4.98 117.46 109.94 1vga n PHE 102 Ca -0.14 -1.62 -0.16 0.00 -0.05 0.00 0.00 57.45 55.48 1vga n PHE 102 Cb 0.83 -0.30 -0.01 0.00 -0.94 0.00 0.00 39.48 39.06 1vga n PHE 102 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 1vga n HIS 103 N -1.07 -1.69 -2.31 1.38 8.25 -1.18 -4.89 115.22 113.71 1vga n HIS 103 Ca 0.24 0.26 -0.42 0.00 -0.26 0.00 0.00 57.72 57.54 1vga n HIS 103 Cb 0.77 -2.23 -0.03 0.00 1.12 0.00 0.00 29.99 29.62 1vga n HIS 103 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 1vga s GLU 104 N -5.65 4.40 0.46 -0.41 2.12 -0.99 -4.99 118.70 113.63 1vga s GLU 104 Ca 0.25 1.91 0.07 0.00 0.36 0.00 0.00 54.97 57.56 1vga s GLU 104 Cb -0.14 -3.29 -0.00 0.00 0.26 0.00 0.00 34.13 30.96 1vga s GLU 104 CO 0.31 -0.30 0.38 0.95 -0.54 0.00 0.00 175.26 176.06 1vga s THR 105 N 0.86 2.33 0.26 -1.70 -4.23 -1.26 -4.46 115.64 107.43 1vga s THR 105 Ca 0.60 -1.40 -0.05 0.00 -1.18 0.00 0.00 61.69 59.66 1vga s THR 105 Cb -0.33 -2.73 0.23 0.00 1.34 0.00 0.00 72.50 71.01 1vga s THR 105 CO 0.31 0.00 1.90 0.44 -0.54 0.00 0.00 174.62 176.73 1vga h ASP 106 N 0.95 1.06 0.04 3.99 3.32 -1.97 -0.91 116.42 122.91 1vga h ASP 106 Ca -0.40 -0.07 -0.09 0.00 0.02 0.00 0.00 57.03 56.49 1vga h ASP 106 Cb 1.28 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.54 1vga h ASP 106 CO 0.58 0.83 -0.27 -0.08 -1.72 0.00 0.00 179.24 178.57 1vga h GLU 107 N 1.21 0.36 -0.45 3.56 4.57 -1.95 -0.83 114.58 121.05 1vga h GLU 107 Ca 0.31 -0.13 -0.05 0.00 -1.18 0.00 0.00 59.36 58.31 1vga h GLU 107 Cb -0.03 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.52 1vga h GLU 107 CO -0.06 0.61 0.10 -0.44 -1.18 0.00 0.00 179.01 178.05 1vga h ASP 108 N 0.32 0.70 -0.72 1.04 3.32 -1.68 -1.17 116.42 118.22 1vga h ASP 108 Ca 0.05 -0.24 0.01 0.00 0.02 0.00 0.00 57.03 56.86 1vga h ASP 108 Cb 0.65 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.98 1vga h ASP 108 CO 0.05 0.75 0.47 0.58 -1.72 0.00 0.00 179.24 179.37 1vga h VAL 109 N 0.61 1.19 0.31 -1.35 2.07 -0.72 -0.85 116.25 117.50 1vga h VAL 109 Ca 0.14 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 1vga h VAL 109 Cb 0.34 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.24 1vga h VAL 109 CO 0.00 0.18 -0.15 -0.09 0.02 0.00 0.00 177.57 177.54 1vga h ARG 110 N 0.98 -0.40 -0.41 1.57 2.43 -0.83 -0.38 114.38 117.34 1vga h ARG 110 Ca 0.26 0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.45 1vga h ARG 110 Cb -0.10 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 1vga h ARG 110 CO -0.06 -0.26 0.23 0.93 -1.51 0.00 0.00 179.97 179.30 1vga h GLU 111 N -0.42 0.56 -0.26 0.20 5.08 -1.05 -0.60 114.58 118.09 1vga h GLU 111 Ca -0.04 -0.05 -0.18 0.00 -1.00 0.00 0.00 59.36 58.09 1vga h GLU 111 Cb 0.32 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 1vga h GLU 111 CO 0.07 0.41 -0.55 0.87 -1.00 0.00 0.00 179.01 178.81 1vga h LYS 112 N 0.57 0.78 -0.32 2.33 1.57 -0.90 -1.51 116.57 119.08 1vga h LYS 112 Ca 0.15 -0.50 -0.03 0.00 -1.87 0.00 0.00 60.65 58.40 1vga h LYS 112 Cb 0.01 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1vga h LYS 112 CO -0.03 1.12 0.07 1.25 -0.57 0.00 0.00 179.45 181.30 1vga h LEU 113 N 0.60 0.50 -0.54 2.94 5.85 -0.39 -0.62 115.31 123.66 1vga h LEU 113 Ca 0.01 -0.24 0.03 0.00 0.84 0.00 0.00 57.88 58.51 1vga h LEU 113 Cb 1.14 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 42.00 1vga h LEU 113 CO 0.12 0.62 0.32 -0.61 -0.34 0.00 0.00 178.44 178.54 1vga h GLN 114 N 0.37 0.61 -0.71 1.25 4.15 -1.07 0.17 115.11 119.87 1vga h GLN 114 Ca 0.10 -0.04 -0.04 0.00 0.77 0.00 0.00 58.65 59.45 1vga h GLN 114 Cb 0.32 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 27.84 1vga h GLN 114 CO 0.00 0.40 0.29 0.00 -1.93 0.00 0.00 178.83 177.60 1vga h ALA 115 N 1.24 0.92 0.20 3.38 0.00 -1.08 -1.10 119.26 122.82 1vga h ALA 115 Ca 0.22 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1vga h ALA 115 Cb 0.03 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1vga h ALA 115 CO -0.10 0.53 -0.09 0.77 0.00 0.00 0.00 179.25 180.35 1vga h SER 116 N 1.01 -0.22 -0.92 0.00 0.02 -0.48 -2.58 113.55 110.37 1vga h SER 116 Ca 0.24 -0.12 0.01 0.00 -0.84 0.00 0.00 61.79 61.08 1vga h SER 116 Cb 0.19 0.06 -0.05 0.00 0.14 0.00 0.00 62.40 62.75 1vga h SER 116 CO -0.02 -0.02 0.60 -0.07 -1.14 0.00 0.00 176.83 176.18 1vga h LEU 117 N -0.43 1.07 -1.88 5.07 4.07 -0.92 -0.82 115.31 121.46 1vga h LEU 117 Ca -0.03 -0.03 -0.01 0.00 0.08 0.00 0.00 57.88 57.89 1vga h LEU 117 Cb 0.33 -0.27 -0.00 0.00 1.08 0.00 0.00 40.66 41.80 1vga h LEU 117 CO 0.04 0.78 -0.00 0.50 -1.08 0.00 0.00 178.44 178.69 1vga h LYS 118 N 1.25 0.07 -0.66 1.13 3.64 -1.08 -2.20 116.57 118.73 1vga h LYS 118 Ca 0.34 -0.01 -0.16 0.00 -1.27 0.00 0.00 60.65 59.55 1vga h LYS 118 Cb -0.13 -0.01 -0.10 0.00 -0.41 0.00 0.00 32.23 31.58 1vga h LYS 118 CO -0.07 0.08 0.19 0.09 -2.27 0.00 0.00 179.45 177.46 1vga n ASN 119 N -4.49 4.83 -2.90 4.20 3.02 -0.56 -4.95 115.26 114.42 1vga n ASN 119 Ca -0.02 -3.18 -0.21 0.00 -0.03 0.00 0.00 54.58 51.13 1vga n ASN 119 Cb 0.11 -0.72 0.01 0.00 -0.61 0.00 0.00 39.78 38.58 1vga n ASN 119 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1vga n ASN 120 N -0.10 -5.36 -4.91 6.41 4.13 -0.83 -4.74 115.26 109.86 1vga n ASN 120 Ca 0.37 -0.19 -0.30 0.00 1.68 0.00 0.00 54.58 56.13 1vga n ASN 120 Cb 1.30 -4.39 -0.04 0.00 -1.54 0.00 0.00 39.78 35.11 1vga n ASN 120 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1vga s LEU 121 N -6.40 4.28 -0.08 3.41 1.43 -0.42 -5.02 118.68 115.88 1vga s LEU 121 Ca 0.23 0.45 -0.11 0.00 -1.03 0.00 0.00 54.13 53.67 1vga s LEU 121 Cb -0.11 -3.18 -0.05 0.00 0.03 0.00 0.00 46.19 42.88 1vga s LEU 121 CO 0.28 0.05 0.26 -0.54 0.23 0.00 0.00 176.35 176.63 1vga s LYS 122 N -2.83 3.73 -0.06 1.70 1.02 -0.48 -4.25 119.74 118.58 1vga s LYS 122 Ca 0.39 0.11 0.05 0.00 0.02 0.00 0.00 55.97 56.54 1vga s LYS 122 Cb -0.12 -3.23 -0.02 0.00 -0.52 0.00 0.00 37.83 33.94 1vga s LYS 122 CO 0.27 0.68 -0.21 0.00 -0.92 0.00 0.00 175.35 175.16 1vga s ALA 123 N -0.86 2.33 -0.45 5.17 0.00 -0.39 -1.80 121.76 125.76 1vga s ALA 123 Ca 0.18 -1.03 -0.08 0.00 0.00 0.00 0.00 51.96 51.03 1vga s ALA 123 Cb -0.14 -0.77 0.11 0.00 0.00 0.00 0.00 23.12 22.32 1vga s ALA 123 CO 0.08 0.46 0.31 0.08 0.00 0.00 0.00 175.76 176.68 1vga s VAL 124 N -0.34 4.03 -0.27 0.00 1.01 -0.21 0.34 120.40 124.96 1vga s VAL 124 Ca 0.02 -1.81 -0.12 0.00 0.00 0.00 0.00 61.98 60.07 1vga s VAL 124 Cb -0.12 -3.66 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 1vga s VAL 124 CO 0.02 -0.74 0.23 -0.69 0.00 0.00 0.00 175.10 173.92 1vga s VAL 125 N 1.32 5.29 0.13 2.92 1.01 0.25 -0.61 120.40 130.71 1vga s VAL 125 Ca 0.06 0.26 0.02 0.00 0.00 0.00 0.00 61.98 62.32 1vga s VAL 125 Cb -0.25 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 1vga s VAL 125 CO -0.01 0.24 0.26 0.00 0.00 0.00 0.00 175.10 175.59 1vga s PHE 127 N -1.70 -0.08 0.00 0.00 -0.12 -0.84 -4.60 117.98 110.65 1vga s PHE 127 Ca 0.34 -0.28 0.00 0.00 -0.05 0.00 0.00 56.93 56.94 1vga s PHE 127 Cb -0.11 0.67 0.00 0.00 -0.63 0.00 0.00 43.02 42.95 1vga s PHE 127 CO 0.28 -0.93 0.00 0.41 -0.05 0.00 0.00 175.22 174.93 1vga n GLY 128 N -0.52 3.42 3.90 1.99 0.00 -1.26 -0.59 105.19 112.14 1vga n GLY 128 Ca -0.05 -0.74 -0.29 0.00 0.00 0.00 0.00 46.02 44.94 1vga n GLY 128 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1vga s GLU 129 N -2.07 3.66 0.85 1.61 1.03 -1.26 -4.83 118.70 117.69 1vga s GLU 129 Ca 0.00 0.14 -0.12 0.00 0.03 0.00 0.00 54.97 55.02 1vga s GLU 129 Cb 0.00 -2.55 0.14 0.00 -0.80 0.00 0.00 34.13 30.92 1vga s GLU 129 CO 0.00 0.10 1.20 -1.54 -1.33 0.00 0.00 175.26 173.69 1vga s SER 130 N -3.30 3.91 0.14 0.83 1.04 -1.26 -2.68 113.70 112.38 1vga s SER 130 Ca 0.46 0.39 -0.16 0.00 0.48 0.00 0.00 55.95 57.12 1vga s SER 130 Cb -0.10 -0.69 -0.00 0.00 0.10 0.00 0.00 66.02 65.32 1vga s SER 130 CO 0.32 -2.23 1.69 0.25 0.98 0.00 0.00 173.24 174.25 1vga h LEU 131 N -1.20 0.55 -0.63 2.42 5.85 -1.89 -2.00 115.31 118.41 1vga h LEU 131 Ca -0.44 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.11 1vga h LEU 131 Cb 1.28 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 42.14 1vga h LEU 131 CO 0.50 0.56 0.33 -0.08 -0.34 0.00 0.00 178.44 179.41 1vga h GLU 132 N 0.51 0.89 -0.56 1.25 4.81 -1.99 -1.53 114.58 117.95 1vga h GLU 132 Ca 0.14 -0.11 -0.05 0.00 -0.13 0.00 0.00 59.36 59.21 1vga h GLU 132 Cb 0.17 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.36 1vga h GLU 132 CO -0.01 0.68 0.16 1.96 -0.73 0.00 0.00 179.01 181.07 1vga h GLN 133 N 0.86 0.86 -0.29 1.92 4.20 -1.90 -1.27 115.11 119.49 1vga h GLN 133 Ca 0.22 -0.17 -0.16 0.00 0.06 0.00 0.00 58.65 58.61 1vga h GLN 133 Cb 0.07 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 1vga h GLN 133 CO -0.03 0.76 -0.45 -0.09 -0.67 0.00 0.00 178.83 178.35 1vga h ARG 134 N 0.83 0.74 0.00 1.46 2.43 -1.02 0.13 114.38 118.95 1vga h ARG 134 Ca 0.18 -0.41 -0.04 0.00 -0.81 0.00 0.00 59.98 58.90 1vga h ARG 134 Cb 0.27 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 1vga h ARG 134 CO -0.00 1.03 -0.19 0.93 -1.51 0.00 0.00 179.97 180.23 1vga h GLU 135 N 0.60 0.00 -0.10 0.20 5.08 -0.91 -0.56 114.58 118.89 1vga h GLU 135 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1vga h GLU 135 Cb 1.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.25 1vga h GLU 135 CO 0.10 0.19 0.00 1.04 -1.00 0.00 0.00 179.01 179.34 1vga n GLN 136 N -3.56 1.53 -2.83 2.33 1.13 -0.51 -4.91 117.38 110.55 1vga n GLN 136 Ca -0.01 -0.79 -0.21 0.00 -1.94 0.00 0.00 57.00 54.05 1vga n GLN 136 Cb 0.34 -1.39 0.02 0.00 0.11 0.00 0.00 30.24 29.32 1vga n GLN 136 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1vga n ASN 137 N -0.01 -5.90 -0.98 1.08 3.02 -0.22 -4.90 115.26 107.35 1vga n ASN 137 Ca 0.17 -0.21 0.08 0.00 -0.03 0.00 0.00 54.58 54.58 1vga n ASN 137 Cb 0.27 -4.77 0.27 0.00 -0.61 0.00 0.00 39.78 34.93 1vga n ASN 137 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1vga n LYS 138 N -3.65 2.99 0.04 3.52 5.02 0.00 -4.77 118.16 121.31 1vga n LYS 138 Ca -0.14 -2.88 -0.14 0.00 -2.02 0.00 0.00 58.31 53.13 1vga n LYS 138 Cb 0.63 -1.88 -0.08 0.00 -0.02 0.00 0.00 35.03 33.69 1vga n LYS 138 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1vga h THR 139 N 1.89 0.10 -0.52 -0.18 2.02 -1.86 -0.19 112.91 114.17 1vga h THR 139 Ca 0.02 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.15 1vga h THR 139 Cb 1.50 0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 67.99 1vga h THR 139 CO 0.26 0.00 0.14 0.40 0.37 0.00 0.00 175.52 176.68 1vga h ILE 140 N -0.58 1.22 -0.02 3.11 1.08 -1.96 -0.62 117.51 119.74 1vga h ILE 140 Ca 0.05 -0.77 -0.00 0.00 -0.39 0.00 0.00 64.86 63.75 1vga h ILE 140 Cb 0.67 0.67 -0.00 0.00 -3.07 0.00 0.00 36.82 35.09 1vga h ILE 140 CO -0.36 0.29 0.01 -0.08 -0.69 0.00 0.00 178.15 177.32 1vga h GLU 141 N 0.77 0.03 -0.02 2.37 4.81 -1.80 0.73 114.58 121.47 1vga h GLU 141 Ca 0.17 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1vga h GLU 141 Cb 0.26 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.64 1vga h GLU 141 CO -0.00 0.08 0.01 0.28 -0.73 0.00 0.00 179.01 178.65 1vga h VAL 142 N -0.03 1.07 -0.67 0.32 2.07 -0.76 -2.33 116.25 115.92 1vga h VAL 142 Ca 0.01 -0.21 0.02 0.00 0.82 0.00 0.00 66.70 67.34 1vga h VAL 142 Cb 0.06 1.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.97 1vga h VAL 142 CO -0.00 0.06 0.43 0.40 0.02 0.00 0.00 177.57 178.47 1vga h ILE 143 N -0.05 1.13 -0.85 4.57 1.08 -1.02 -1.40 117.51 120.97 1vga h ILE 143 Ca 0.01 -0.30 0.01 0.00 -0.39 0.00 0.00 64.86 64.19 1vga h ILE 143 Cb 0.08 0.19 -0.04 0.00 -3.07 0.00 0.00 36.82 33.98 1vga h ILE 143 CO -0.00 0.16 0.56 0.74 -0.69 0.00 0.00 178.15 178.92 1vga h THR 144 N 0.86 1.22 -0.39 -0.27 2.02 -0.72 -1.00 112.91 114.62 1vga h THR 144 Ca 0.26 -0.39 -0.15 0.00 0.77 0.00 0.00 66.41 66.89 1vga h THR 144 Cb -0.04 -0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.33 1vga h THR 144 CO -0.08 0.21 -0.36 0.50 0.37 0.00 0.00 175.52 176.15 1vga h LYS 145 N 1.15 0.92 -0.62 6.66 3.64 -1.00 -1.21 116.57 126.12 1vga h LYS 145 Ca 0.31 -0.47 -0.08 0.00 -1.27 0.00 0.00 60.65 59.14 1vga h LYS 145 Cb -0.13 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.67 1vga h LYS 145 CO -0.07 1.12 0.06 1.96 -2.27 0.00 0.00 179.45 180.26 1vga h GLN 146 N 0.76 1.05 -0.18 1.90 4.20 -0.92 -2.50 115.11 119.41 1vga h GLN 146 Ca 0.07 -0.30 -0.13 0.00 0.06 0.00 0.00 58.65 58.34 1vga h GLN 146 Cb 0.95 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.62 1vga h GLN 146 CO 0.09 1.00 -0.40 0.28 -0.67 0.00 0.00 178.83 179.13 1vga h VAL 147 N 0.95 1.34 0.00 -0.54 2.07 -1.17 -2.97 116.25 115.93 1vga h VAL 147 Ca 0.18 -1.64 0.00 0.00 0.82 0.00 0.00 66.70 66.06 1vga h VAL 147 Cb 0.48 1.93 0.00 0.00 -1.52 0.00 0.00 31.29 32.18 1vga h VAL 147 CO 0.02 0.50 0.00 0.29 0.02 0.00 0.00 177.57 178.40 1vga n LYS 148 N -4.26 0.07 0.23 1.57 5.02 -0.46 -0.64 118.16 119.69 1vga n LYS 148 Ca -0.06 0.40 0.11 0.00 -2.02 0.00 0.00 58.31 56.73 1vga n LYS 148 Cb 0.53 -1.66 0.50 0.00 -0.02 0.00 0.00 35.03 34.39 1vga n LYS 148 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1vga h ALA 149 N 2.27 1.03 0.00 7.82 0.00 -1.27 -3.38 119.26 125.74 1vga h ALA 149 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1vga h ALA 149 Cb 0.20 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1vga h ALA 149 CO 0.00 0.23 -0.09 1.97 0.00 0.00 0.00 179.25 181.36 1vga n PHE 150 N -3.36 0.00 -0.21 0.00 1.16 -0.80 -4.67 117.46 109.58 1vga n PHE 150 Ca 0.00 0.00 0.23 0.00 -1.87 0.00 0.00 57.45 55.81 1vga n PHE 150 Cb 0.40 0.00 0.60 0.00 -1.61 0.00 0.00 39.48 38.87 1vga n PHE 150 CO 0.00 0.00 0.00 -0.24 -1.87 0.00 0.00 176.76 174.65 1vga h VAL 151 N 0.00 0.63 0.00 1.97 3.04 -1.05 -1.13 116.25 119.71 1vga h VAL 151 Ca 0.00 -0.08 0.00 0.00 -1.01 0.00 0.00 66.70 65.61 1vga h VAL 151 Cb 0.00 0.38 0.00 0.00 -2.01 0.00 0.00 31.29 29.66 1vga h VAL 151 CO 0.00 0.04 0.00 -2.24 -1.01 0.00 0.00 177.57 174.36 1vga h ASP 152 N 0.23 0.00 1.65 3.17 2.03 -1.85 -2.48 116.42 119.17 1vga h ASP 152 Ca 0.44 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.74 1vga h ASP 152 Cb 1.36 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.86 1vga h ASP 152 CO -0.11 0.00 0.00 -0.07 -1.03 0.00 0.00 179.24 178.03 1vga h LEU 153 N 0.00 0.00 -9.25 0.15 3.38 -1.59 -3.45 115.31 104.55 1vga h LEU 153 Ca 0.00 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.42 1vga h LEU 153 Cb 0.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1vga h LEU 153 CO 0.00 0.00 1.08 -0.63 0.09 0.00 0.00 178.44 178.98 1vga s ILE 154 N -3.21 3.60 -0.18 1.22 -1.09 -0.94 -4.88 121.20 115.71 1vga s ILE 154 Ca 0.08 0.73 -0.12 0.00 -2.23 0.00 0.00 60.65 59.10 1vga s ILE 154 Cb 0.08 -3.47 -0.08 0.00 -1.58 0.00 0.00 42.46 37.41 1vga s ILE 154 CO 0.62 -0.07 -0.28 -0.90 -1.23 0.00 0.00 174.94 173.08 1vga n ASP 155 N 7.16 1.61 -4.42 3.58 5.68 -1.26 -4.90 116.55 123.99 1vga n ASP 155 Ca 0.17 0.27 -0.38 0.00 -0.50 0.00 0.00 54.79 54.35 1vga n ASP 155 Cb 0.43 -0.64 -0.12 0.00 -1.14 0.00 0.00 41.12 39.65 1vga n ASP 155 CO 0.00 0.00 0.00 0.21 -1.33 0.00 0.00 177.20 176.08 1vga s ASN 156 N -6.60 5.50 0.00 -1.12 3.84 -1.26 -4.98 114.94 110.31 1vga s ASN 156 Ca -0.28 -0.56 0.00 0.00 0.21 0.00 0.00 52.86 52.23 1vga s ASN 156 Cb 0.09 -1.99 0.00 0.00 -0.55 0.00 0.00 41.25 38.80 1vga s ASN 156 CO 0.37 -0.20 0.79 0.49 -2.79 0.00 0.00 177.10 175.75 1vga n PHE 157 N 4.97 0.00 -0.01 0.43 3.01 -1.26 -2.23 117.46 122.36 1vga n PHE 157 Ca -0.14 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.40 1vga n PHE 157 Cb 0.49 -0.03 -0.14 0.00 -0.01 0.00 0.00 39.48 39.79 1vga n PHE 157 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1vga n ASP 158 N -0.32 0.98 -0.10 4.37 8.00 -1.26 -3.88 116.55 124.34 1vga n ASP 158 Ca 0.00 0.00 0.13 0.00 0.71 0.00 0.00 54.79 55.63 1vga n ASP 158 Cb 0.08 1.76 0.37 0.00 -0.02 0.00 0.00 41.12 43.31 1vga n ASP 158 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1vga n ASN 159 N -2.14 0.65 -4.09 -2.24 5.03 -0.95 -4.80 115.26 106.73 1vga n ASN 159 Ca -0.04 -0.47 -0.28 0.00 0.87 0.00 0.00 54.58 54.66 1vga n ASN 159 Cb 0.49 0.11 -0.17 0.00 -1.02 0.00 0.00 39.78 39.19 1vga n ASN 159 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1vga s VAL 160 N -2.75 1.49 -0.11 2.41 1.01 -1.25 -1.27 120.40 119.93 1vga s VAL 160 Ca 0.18 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.51 1vga s VAL 160 Cb 0.19 -1.33 -0.00 0.00 0.00 0.00 0.00 36.38 35.23 1vga s VAL 160 CO 0.59 0.43 -0.20 -0.63 0.00 0.00 0.00 175.10 175.30 1vga s ILE 161 N 0.65 2.41 0.16 2.22 1.09 0.15 -4.44 121.20 123.45 1vga s ILE 161 Ca -0.14 -0.89 -0.09 0.00 -1.10 0.00 0.00 60.65 58.43 1vga s ILE 161 Cb -0.16 -1.96 -0.06 0.00 -1.06 0.00 0.00 42.46 39.21 1vga s ILE 161 CO 0.04 0.55 0.47 -0.76 -0.10 0.00 0.00 174.94 175.13 1vga s LEU 162 N 0.38 4.25 -0.09 2.97 1.43 -0.40 -0.58 118.68 126.64 1vga s LEU 162 Ca -0.15 0.81 -0.02 0.00 -1.03 0.00 0.00 54.13 53.75 1vga s LEU 162 Cb -0.17 -3.39 0.03 0.00 0.03 0.00 0.00 46.19 42.69 1vga s LEU 162 CO 0.07 0.03 0.00 -0.69 0.23 0.00 0.00 176.35 176.00 1vga s VAL 163 N -1.65 0.42 -0.24 -1.59 1.01 -0.23 0.39 120.40 118.51 1vga s VAL 163 Ca 0.42 0.02 -0.18 0.00 0.00 0.00 0.00 61.98 62.24 1vga s VAL 163 Cb -0.12 -0.62 -0.03 0.00 0.00 0.00 0.00 36.38 35.61 1vga s VAL 163 CO 0.21 0.20 0.50 -0.47 0.00 0.00 0.00 175.10 175.55 1vga s TYR 164 N 1.95 3.30 -0.35 5.22 5.04 -0.28 -1.99 117.35 130.24 1vga s TYR 164 Ca 0.04 0.66 0.00 0.00 -2.44 0.00 0.00 57.07 55.33 1vga s TYR 164 Cb -0.13 -2.69 0.09 0.00 0.35 0.00 0.00 41.96 39.59 1vga s TYR 164 CO -0.06 -0.22 0.09 -1.21 -1.34 0.00 0.00 175.55 172.81 1vga s GLU 165 N 2.06 1.93 -1.19 4.97 2.02 0.25 0.51 118.70 129.25 1vga s GLU 165 Ca 0.21 -1.69 -0.21 0.00 0.02 0.00 0.00 54.97 53.30 1vga s GLU 165 Cb -0.16 -3.33 -0.01 0.00 0.10 0.00 0.00 34.13 30.74 1vga s GLU 165 CO 0.09 -0.90 1.82 -1.25 0.02 0.00 0.00 175.26 175.04 1vga s PRO 166 N 1.08 3.18 0.54 0.39 0.04 -1.26 -4.08 135.00 134.88 1vga s PRO 166 Ca 0.05 -1.41 0.34 0.00 0.04 0.00 0.00 61.00 60.02 1vga s PRO 166 Cb -0.21 -5.35 1.51 0.00 0.04 0.00 0.00 34.50 30.49 1vga s PRO 166 CO -0.05 -3.10 1.85 -0.07 0.04 0.00 0.00 177.00 175.68 1vga h LEU 167 N 15.30 0.00 -2.12 -3.56 3.38 -1.83 0.17 115.31 126.65 1vga h LEU 167 Ca 0.29 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.25 1vga h LEU 167 Cb 0.92 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.67 1vga h LEU 167 CO 1.33 0.00 -0.08 2.19 0.09 0.00 0.00 178.44 181.98 1vga h PHE 168 N 0.00 0.00 -0.45 1.13 -0.00 -1.79 -1.77 116.94 114.06 1vga h PHE 168 Ca 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.45 1vga h PHE 168 Cb 1.94 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.89 1vga h PHE 168 CO -0.00 0.08 0.00 0.00 -0.00 0.00 0.00 178.31 178.39 1vga n ALA 169 N -2.30 2.66 -3.04 12.09 0.00 0.59 -4.54 120.51 125.97 1vga n ALA 169 Ca -0.02 -1.57 -0.40 0.00 0.00 0.00 0.00 53.44 51.45 1vga n ALA 169 Cb 0.18 -0.71 -0.11 0.00 0.00 0.00 0.00 19.45 18.81 1vga n ALA 169 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1vga s ILE 170 N -1.68 4.32 -1.43 0.00 -1.09 -0.67 -4.57 121.20 116.08 1vga s ILE 170 Ca 0.38 -1.08 -0.10 0.00 -2.23 0.00 0.00 60.65 57.63 1vga s ILE 170 Cb 0.25 -3.49 0.03 0.00 -1.58 0.00 0.00 42.46 37.67 1vga s ILE 170 CO 0.18 -0.31 1.06 0.61 -1.23 0.00 0.00 174.94 175.26 1vga n GLY 171 N 4.94 -0.53 0.00 6.18 0.00 -1.26 -4.87 105.19 109.64 1vga n GLY 171 Ca -0.11 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1vga n GLY 171 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1vga n THR 172 N -4.86 0.51 0.00 2.61 -2.24 -1.26 -4.98 114.28 104.06 1vga n THR 172 Ca 0.01 -0.53 0.00 0.00 -2.27 0.00 0.00 64.05 61.25 1vga n THR 172 Cb 0.56 0.77 0.00 0.00 -2.10 0.00 0.00 70.33 69.56 1vga n THR 172 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1vga n GLY 173 N -0.26 2.00 3.76 3.38 0.00 -1.26 -4.96 105.19 107.85 1vga n GLY 173 Ca 0.00 -0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1vga n GLY 173 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vga s LYS 174 N 0.00 2.04 0.03 1.61 1.02 -1.26 -5.07 119.74 118.10 1vga s LYS 174 Ca 0.00 1.01 0.03 0.00 0.02 0.00 0.00 55.97 57.04 1vga s LYS 174 Cb 0.00 -1.88 -0.02 0.00 -0.52 0.00 0.00 37.83 35.41 1vga s LYS 174 CO 0.00 -1.75 -0.10 0.95 -0.92 0.00 0.00 175.35 173.53 1vga s THR 175 N -2.95 0.81 -0.25 2.17 -4.23 -1.26 -4.60 115.64 105.33 1vga s THR 175 Ca 0.61 -0.81 -0.11 0.00 -1.18 0.00 0.00 61.69 60.21 1vga s THR 175 Cb -0.17 -0.75 -0.05 0.00 1.34 0.00 0.00 72.50 72.87 1vga s THR 175 CO 0.56 -0.04 0.17 0.00 -0.54 0.00 0.00 174.62 174.77 1vga s ALA 176 N -0.77 3.59 0.40 3.99 0.00 -1.26 -4.93 121.76 122.78 1vga s ALA 176 Ca -0.01 -0.94 -0.12 0.00 0.00 0.00 0.00 51.96 50.90 1vga s ALA 176 Cb -0.07 -2.36 -0.07 0.00 0.00 0.00 0.00 23.12 20.62 1vga s ALA 176 CO 0.01 -0.28 0.78 0.95 0.00 0.00 0.00 175.76 177.22 1vga s THR 177 N 1.22 4.75 0.28 0.00 -4.23 -1.26 -4.92 115.64 111.48 1vga s THR 177 Ca 0.07 0.72 0.01 0.00 -1.18 0.00 0.00 61.69 61.32 1vga s THR 177 Cb -0.14 -3.71 0.27 0.00 1.34 0.00 0.00 72.50 70.25 1vga s THR 177 CO 0.06 -0.48 1.78 -0.65 -0.54 0.00 0.00 174.62 174.79 1vga h PRO 178 N 1.39 0.73 -0.07 3.99 0.11 -1.97 0.02 132.00 136.20 1vga h PRO 178 Ca -0.47 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 1vga h PRO 178 Cb 1.19 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 1vga h PRO 178 CO 0.64 0.48 0.04 0.93 -0.21 0.00 0.00 178.00 179.88 1vga h GLU 179 N 0.75 0.09 -0.96 1.05 3.07 -1.93 0.18 114.58 116.82 1vga h GLU 179 Ca 0.50 -0.01 0.01 0.00 -0.50 0.00 0.00 59.36 59.36 1vga h GLU 179 Cb 0.68 -0.02 -0.05 0.00 -0.84 0.00 0.00 28.75 28.53 1vga h GLU 179 CO -0.34 0.10 0.63 1.96 -1.40 0.00 0.00 179.01 179.96 1vga h GLN 180 N 0.06 1.27 -0.22 2.33 4.20 -1.65 -1.37 115.11 119.73 1vga h GLN 180 Ca 0.02 -0.08 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 1vga h GLN 180 Cb 0.03 -0.29 -0.01 0.00 0.30 0.00 0.00 27.48 27.52 1vga h GLN 180 CO -0.00 0.85 0.05 0.00 -0.67 0.00 0.00 178.83 179.05 1vga h ALA 181 N 1.35 0.28 -0.96 3.87 0.00 -0.67 -2.49 119.26 120.64 1vga h ALA 181 Ca 0.35 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 55.14 1vga h ALA 181 Cb -0.14 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.51 1vga h ALA 181 CO -0.08 -0.07 0.63 0.37 0.00 0.00 0.00 179.25 180.11 1vga h GLN 182 N 0.17 1.17 -0.76 0.00 5.75 -0.25 0.33 115.11 121.52 1vga h GLN 182 Ca 0.07 -0.07 -0.03 0.00 -0.15 0.00 0.00 58.65 58.47 1vga h GLN 182 Cb 0.27 -0.26 -0.03 0.00 1.07 0.00 0.00 27.48 28.53 1vga h GLN 182 CO 0.00 0.77 0.35 -0.07 -2.65 0.00 0.00 178.83 177.23 1vga h LEU 183 N 1.20 1.01 -0.08 -2.39 3.38 -1.07 -1.12 115.31 116.24 1vga h LEU 183 Ca 0.38 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.18 1vga h LEU 183 Cb 0.02 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.51 1vga h LEU 183 CO -0.12 0.87 -0.08 0.58 0.09 0.00 0.00 178.44 179.79 1vga h VAL 184 N 1.07 1.36 -0.99 1.22 2.07 -0.88 -2.79 116.25 117.31 1vga h VAL 184 Ca 0.26 -1.21 0.09 0.00 0.82 0.00 0.00 66.70 66.65 1vga h VAL 184 Cb 0.15 1.99 -0.08 0.00 -1.52 0.00 0.00 31.29 31.83 1vga h VAL 184 CO -0.03 0.34 0.63 0.45 0.02 0.00 0.00 177.57 178.98 1vga h HIS 185 N -0.22 1.15 -0.64 1.57 3.86 -0.84 0.79 115.15 120.83 1vga h HIS 185 Ca 0.01 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.22 1vga h HIS 185 Cb 0.58 -0.37 -0.03 0.00 1.06 0.00 0.00 27.41 28.65 1vga h HIS 185 CO 0.09 0.53 0.24 -0.22 0.86 0.00 0.00 177.93 179.43 1vga h LYS 186 N 1.07 0.95 -0.23 2.45 3.64 -1.18 -0.75 116.57 122.52 1vga h LYS 186 Ca 0.46 -0.16 -0.19 0.00 -1.27 0.00 0.00 60.65 59.48 1vga h LYS 186 Cb 0.32 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1vga h LYS 186 CO -0.22 0.78 -0.63 1.49 -2.27 0.00 0.00 179.45 178.61 1vga h GLU 187 N 0.93 0.79 -0.78 1.90 4.57 -0.86 -2.01 114.58 119.13 1vga h GLU 187 Ca 0.22 -0.55 -0.00 0.00 -1.18 0.00 0.00 59.36 57.85 1vga h GLU 187 Cb 0.20 0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 28.84 1vga h GLU 187 CO -0.02 1.17 0.48 0.82 -1.18 0.00 0.00 179.01 180.28 1vga h ILE 188 N 0.58 1.22 -0.14 2.32 2.04 -0.50 0.94 117.51 123.97 1vga h ILE 188 Ca -0.01 -0.46 -0.10 0.00 1.00 0.00 0.00 64.86 65.29 1vga h ILE 188 Cb 1.23 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 1vga h ILE 188 CO 0.13 0.22 -0.36 -0.09 0.00 0.00 0.00 178.15 178.06 1vga h ARG 189 N 1.06 0.29 -0.51 2.37 2.43 -1.05 -1.35 114.38 117.63 1vga h ARG 189 Ca 0.28 -0.13 -0.12 0.00 -0.81 0.00 0.00 59.98 59.20 1vga h ARG 189 Cb -0.05 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.47 1vga h ARG 189 CO -0.05 0.62 -0.14 -0.22 -1.51 0.00 0.00 179.97 178.66 1vga h LYS 190 N 0.25 0.99 -0.74 0.20 3.64 -0.57 0.11 116.57 120.45 1vga h LYS 190 Ca 0.03 -0.38 -0.02 0.00 -1.27 0.00 0.00 60.65 59.02 1vga h LYS 190 Cb 0.75 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.48 1vga h LYS 190 CO 0.06 1.05 0.40 0.82 -2.27 0.00 0.00 179.45 179.51 1vga h ILE 191 N 0.87 1.23 -0.23 2.00 2.04 -0.29 0.29 117.51 123.41 1vga h ILE 191 Ca 0.13 -0.57 -0.12 0.00 1.00 0.00 0.00 64.86 65.30 1vga h ILE 191 Cb 0.70 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 1vga h ILE 191 CO 0.05 0.25 -0.35 0.58 0.00 0.00 0.00 178.15 178.69 1vga h VAL 192 N 1.03 1.29 -0.29 1.67 2.07 -0.86 -0.57 116.25 120.59 1vga h VAL 192 Ca 0.26 -1.46 -0.05 0.00 0.82 0.00 0.00 66.70 66.27 1vga h VAL 192 Cb 0.04 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 1vga h VAL 192 CO -0.04 0.46 -0.01 0.50 0.02 0.00 0.00 177.57 178.50 1vga h LYS 193 N 0.43 0.52 0.00 1.57 3.64 0.08 0.78 116.57 123.59 1vga h LYS 193 Ca 0.05 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1vga h LYS 193 Cb 0.81 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.59 1vga h LYS 193 CO 0.07 0.68 -0.02 -0.25 -2.27 0.00 0.00 179.45 177.66 1vga n ASP 194 N -4.57 0.42 -0.01 4.20 8.00 0.93 -2.29 116.55 123.23 1vga n ASP 194 Ca -0.03 0.52 0.04 0.00 0.71 0.00 0.00 54.79 56.04 1vga n ASP 194 Cb 0.26 -0.63 -0.09 0.00 -0.02 0.00 0.00 41.12 40.65 1vga n ASP 194 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1vga n THR 195 N -1.89 0.10 0.02 -3.53 -2.24 -0.23 -4.90 114.28 101.60 1vga n THR 195 Ca 0.06 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 1vga n THR 195 Cb 0.39 0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 1vga n THR 195 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1vga n GLY 197 N 3.46 1.64 0.25 0.00 0.00 -0.97 -4.99 105.19 104.58 1vga n GLY 197 Ca 0.00 -0.73 -0.13 0.00 0.00 0.00 0.00 46.02 45.16 1vga n GLY 197 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1vga h GLU 198 N 0.00 0.85 -0.57 1.61 4.81 -1.87 -1.73 114.58 117.68 1vga h GLU 198 Ca 0.00 -0.42 -0.08 0.00 -0.13 0.00 0.00 59.36 58.73 1vga h GLU 198 Cb 0.00 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 1vga h GLU 198 CO 0.00 1.06 0.02 0.87 -0.73 0.00 0.00 179.01 180.23 1vga h LYS 199 N 0.65 0.97 -0.51 1.92 6.56 -1.96 -1.68 116.57 122.51 1vga h LYS 199 Ca 0.07 -0.28 -0.09 0.00 -1.06 0.00 0.00 60.65 59.29 1vga h LYS 199 Cb 0.87 -0.10 -0.02 0.00 -0.57 0.00 0.00 32.23 32.40 1vga h LYS 199 CO 0.08 0.94 -0.05 1.96 -2.06 0.00 0.00 179.45 180.32 1vga h GLN 200 N 0.89 0.94 -0.37 3.15 7.50 -1.92 -2.77 115.11 122.53 1vga h GLN 200 Ca 0.17 -0.32 -0.09 0.00 0.50 0.00 0.00 58.65 58.91 1vga h GLN 200 Cb 0.49 -0.07 -0.02 0.00 0.05 0.00 0.00 27.48 27.93 1vga h GLN 200 CO 0.02 0.98 -0.13 0.00 -1.50 0.00 0.00 178.83 178.21 1vga h ALA 201 N 0.93 1.08 0.00 3.87 0.00 -1.09 -2.22 119.26 121.82 1vga h ALA 201 Ca 0.14 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1vga h ALA 201 Cb 0.59 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1vga h ALA 201 CO 0.04 0.57 -0.20 -0.91 0.00 0.00 0.00 179.25 178.74 1vga h ASN 202 N 0.60 0.00 0.25 0.00 2.35 -1.17 -3.24 115.58 114.37 1vga h ASN 202 Ca 0.10 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.80 1vga h ASN 202 Cb 0.57 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.93 1vga h ASN 202 CO 0.04 0.20 -1.80 0.00 -1.65 0.00 0.00 177.43 174.21 1vga n GLN 203 N -3.37 0.65 -2.30 0.81 10.64 -1.06 -4.73 117.38 118.02 1vga n GLN 203 Ca 0.00 -0.09 -0.41 0.00 -1.83 0.00 0.00 57.00 54.67 1vga n GLN 203 Cb 0.41 -1.60 -0.03 0.00 -0.86 0.00 0.00 30.24 28.16 1vga n GLN 203 CO 0.00 0.00 0.00 -1.50 -1.83 0.00 0.00 177.06 173.73 1vga s ILE 204 N -3.34 3.34 0.10 -0.39 2.07 -0.86 -4.80 121.20 117.32 1vga s ILE 204 Ca -0.06 1.15 -0.26 0.00 -1.41 0.00 0.00 60.65 60.07 1vga s ILE 204 Cb 0.12 -3.74 -0.07 0.00 0.13 0.00 0.00 42.46 38.91 1vga s ILE 204 CO 0.87 0.20 0.80 -0.13 -1.91 0.00 0.00 174.94 174.76 1vga s ARG 205 N -0.46 4.55 -0.26 3.50 3.00 -1.26 -5.00 118.95 123.02 1vga s ARG 205 Ca 0.53 1.15 0.02 0.00 0.00 0.00 0.00 55.73 57.43 1vga s ARG 205 Cb -0.35 -3.32 0.07 0.00 0.00 0.00 0.00 34.95 31.35 1vga s ARG 205 CO 0.39 0.39 -0.05 0.42 0.00 0.00 0.00 175.30 176.46 1vga s ILE 206 N -0.48 1.73 0.24 1.52 -1.09 -1.26 -1.28 121.20 120.58 1vga s ILE 206 Ca 0.38 -1.47 -0.06 0.00 -2.23 0.00 0.00 60.65 57.28 1vga s ILE 206 Cb -0.22 -2.01 -0.06 0.00 -1.58 0.00 0.00 42.46 38.59 1vga s ILE 206 CO 0.25 -0.18 0.51 -0.76 -1.23 0.00 0.00 174.94 173.53 1vga s LEU 207 N 1.28 4.14 -0.20 2.97 1.43 0.16 -1.20 118.68 127.26 1vga s LEU 207 Ca -0.04 0.72 -0.18 0.00 -1.03 0.00 0.00 54.13 53.60 1vga s LEU 207 Cb -0.19 -3.50 -0.03 0.00 0.03 0.00 0.00 46.19 42.49 1vga s LEU 207 CO -0.07 -0.11 0.50 -0.47 0.23 0.00 0.00 176.35 176.43 1vga s TYR 208 N -1.92 3.38 -0.18 0.29 5.04 -0.37 -1.12 117.35 122.47 1vga s TYR 208 Ca 0.44 0.76 0.17 0.00 -2.44 0.00 0.00 57.07 56.00 1vga s TYR 208 Cb -0.11 -2.65 0.49 0.00 0.35 0.00 0.00 41.96 40.04 1vga s TYR 208 CO 0.27 -0.08 1.38 0.41 -1.34 0.00 0.00 175.55 176.19 1vga n GLY 209 N 3.86 4.24 0.00 8.97 0.00 0.18 -2.29 105.19 120.16 1vga n GLY 209 Ca -0.05 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.89 1vga n GLY 209 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vga n GLY 210 N -0.71 -0.56 3.65 -0.02 0.00 -1.24 -4.65 105.19 101.67 1vga n GLY 210 Ca 0.21 -1.68 -0.43 0.00 0.00 0.00 0.00 46.02 44.13 1vga n GLY 210 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vga s SER 211 N -1.00 6.61 -0.12 1.61 0.01 -1.26 -4.85 113.70 114.70 1vga s SER 211 Ca 0.00 1.92 0.03 0.00 1.31 0.00 0.00 55.95 59.21 1vga s SER 211 Cb 0.00 -2.53 0.01 0.00 0.21 0.00 0.00 66.02 63.71 1vga s SER 211 CO 0.00 -1.02 -0.20 -0.69 0.41 0.00 0.00 173.24 171.75 1vga s VAL 212 N 4.37 1.82 0.29 3.43 1.01 -1.26 -5.00 120.40 125.07 1vga s VAL 212 Ca 0.69 -0.85 0.04 0.00 0.00 0.00 0.00 61.98 61.87 1vga s VAL 212 Cb -0.28 -1.61 -0.03 0.00 0.00 0.00 0.00 36.38 34.45 1vga s VAL 212 CO 0.27 0.50 0.25 0.54 0.00 0.00 0.00 175.10 176.66 1vga s ASN 213 N 0.77 1.18 0.55 3.32 2.20 -1.26 -4.53 114.94 117.16 1vga s ASN 213 Ca -0.10 -1.63 0.28 0.00 -0.94 0.00 0.00 52.86 50.47 1vga s ASN 213 Cb -0.16 0.51 1.62 0.00 -2.00 0.00 0.00 41.25 41.23 1vga s ASN 213 CO 0.01 -1.02 2.17 0.71 -2.94 0.00 0.00 177.10 176.03 1vga h THR 214 N 2.27 0.59 0.00 0.54 1.35 -1.96 -1.20 112.91 114.50 1vga h THR 214 Ca -0.28 -0.24 -0.12 0.00 -0.55 0.00 0.00 66.41 65.22 1vga h THR 214 Cb 1.24 1.15 -0.02 0.00 -1.73 0.00 0.00 68.15 68.79 1vga h THR 214 CO 0.41 0.06 -0.56 -0.08 -0.25 0.00 0.00 175.52 175.09 1vga h GLU 215 N 0.00 0.00 0.00 4.72 4.81 -2.00 -3.37 114.58 118.73 1vga h GLU 215 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1vga h GLU 215 Cb 0.15 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.53 1vga h GLU 215 CO 0.01 0.56 0.00 0.27 -0.73 0.00 0.00 179.01 179.12 1vga n ASN 216 N -3.31 0.63 -0.32 1.04 0.23 -1.04 -4.80 115.26 107.68 1vga n ASN 216 Ca 0.01 -0.84 0.00 0.00 -0.53 0.00 0.00 54.58 53.23 1vga n ASN 216 Cb 0.72 0.26 0.18 0.00 -2.08 0.00 0.00 39.78 38.86 1vga n ASN 216 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1vga h SER 218 N 1.19 0.72 0.31 0.00 0.02 -1.86 -1.11 113.55 112.81 1vga h SER 218 Ca 0.36 -0.24 -0.04 0.00 -0.84 0.00 0.00 61.79 61.03 1vga h SER 218 Cb -0.04 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.31 1vga h SER 218 CO -0.10 0.77 -0.17 0.77 -1.14 0.00 0.00 176.83 176.96 1vga h SER 219 N 0.63 0.00 0.00 3.07 4.64 -1.84 -2.43 113.55 117.62 1vga h SER 219 Ca 0.15 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.46 1vga h SER 219 Cb 0.34 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1vga h SER 219 CO 0.00 0.17 -0.06 -0.07 -0.87 0.00 0.00 176.83 176.00 1vga h LEU 220 N 0.00 0.00 -2.55 5.97 3.38 -1.12 -3.34 115.31 117.64 1vga h LEU 220 Ca -0.00 -0.59 0.00 0.00 0.09 0.00 0.00 57.88 57.38 1vga h LEU 220 Cb 0.37 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 1vga h LEU 220 CO 0.02 0.83 0.01 -0.29 0.09 0.00 0.00 178.44 179.11 1vga h ILE 221 N -1.00 0.43 0.00 1.22 6.09 -1.20 -1.19 117.51 121.86 1vga h ILE 221 Ca -0.01 0.00 -0.05 0.00 -1.37 0.00 0.00 64.86 63.42 1vga h ILE 221 Cb 0.63 0.99 -0.01 0.00 0.47 0.00 0.00 36.82 38.90 1vga h ILE 221 CO -0.01 0.00 -0.26 -0.61 -3.07 0.00 0.00 178.15 174.21 1vga h GLN 222 N 0.00 0.00 -6.69 2.19 4.15 -1.56 -3.44 115.11 109.76 1vga h GLN 222 Ca 0.00 0.00 -0.52 0.00 0.77 0.00 0.00 58.65 58.90 1vga h GLN 222 Cb 0.03 0.00 0.06 0.00 0.21 0.00 0.00 27.48 27.78 1vga h GLN 222 CO -0.00 0.26 0.90 -0.65 -1.93 0.00 0.00 178.83 177.40 1vga s GLN 223 N -4.19 4.18 0.53 1.69 -1.52 -0.45 -4.88 119.66 115.01 1vga s GLN 223 Ca -0.03 2.47 0.27 0.00 -1.95 0.00 0.00 55.36 56.13 1vga s GLN 223 Cb 0.14 -3.09 1.41 0.00 -0.22 0.00 0.00 33.01 31.24 1vga s GLN 223 CO 0.67 -0.62 1.95 0.93 -0.25 0.00 0.00 175.29 177.96 1vga h GLU 224 N 6.04 0.03 -0.42 2.91 4.39 -1.89 -2.13 114.58 123.50 1vga h GLU 224 Ca -0.44 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.26 1vga h GLU 224 Cb 1.21 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 1vga h GLU 224 CO 0.87 0.02 0.00 -0.25 -1.16 0.00 0.00 179.01 178.49 1vga n ASP 225 N -4.34 3.26 -4.50 1.42 8.00 -1.26 -4.86 116.55 114.27 1vga n ASP 225 Ca 0.14 -1.94 -0.38 0.00 0.71 0.00 0.00 54.79 53.32 1vga n ASP 225 Cb 0.75 -0.28 -0.12 0.00 -0.02 0.00 0.00 41.12 41.46 1vga n ASP 225 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1vga s ILE 226 N -1.15 4.84 -0.57 0.53 1.01 -0.80 -4.62 121.20 120.44 1vga s ILE 226 Ca 0.34 -0.15 0.15 0.00 0.00 0.00 0.00 60.65 60.99 1vga s ILE 226 Cb 0.19 -3.37 0.54 0.00 0.01 0.00 0.00 42.46 39.83 1vga s ILE 226 CO 0.25 0.18 1.46 0.47 0.00 0.00 0.00 174.94 177.30 1vga n ASP 227 N 5.01 4.02 0.00 3.58 8.00 -0.34 -4.72 116.55 132.09 1vga n ASP 227 Ca -0.14 -2.64 0.00 0.00 0.71 0.00 0.00 54.79 52.72 1vga n ASP 227 Cb 0.51 -0.49 0.00 0.00 -0.02 0.00 0.00 41.12 41.12 1vga n ASP 227 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1vga n GLY 228 N 0.20 0.42 3.34 0.44 0.00 -1.26 -1.56 105.19 106.77 1vga n GLY 228 Ca 0.20 -1.67 -0.10 0.00 0.00 0.00 0.00 46.02 44.46 1vga n GLY 228 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1vga s PHE 229 N -2.71 0.13 -0.33 1.61 0.40 -0.73 -1.23 117.98 115.12 1vga s PHE 229 Ca 0.00 -0.50 -0.02 0.00 -0.60 0.00 0.00 56.93 55.81 1vga s PHE 229 Cb 0.00 0.09 0.07 0.00 0.51 0.00 0.00 43.02 43.68 1vga s PHE 229 CO 0.00 -0.71 0.06 -1.17 0.70 0.00 0.00 175.22 174.10 1vga s LEU 230 N -2.89 4.29 -0.14 -0.37 2.96 -0.97 -0.80 118.68 120.76 1vga s LEU 230 Ca 0.10 -1.50 -0.14 0.00 -0.22 0.00 0.00 54.13 52.37 1vga s LEU 230 Cb 0.03 -1.74 -0.05 0.00 0.50 0.00 0.00 46.19 44.93 1vga s LEU 230 CO -0.05 -0.34 0.30 -0.69 -1.32 0.00 0.00 176.35 174.25 1vga s VAL 231 N 1.21 5.29 0.00 1.68 1.01 0.40 -4.57 120.40 125.42 1vga s VAL 231 Ca -0.01 0.57 0.00 0.00 0.00 0.00 0.00 61.98 62.54 1vga s VAL 231 Cb -0.20 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.55 1vga s VAL 231 CO -0.02 0.42 0.00 0.61 0.00 0.00 0.00 175.10 176.11 1vga n GLY 232 N 3.11 0.78 0.42 4.51 0.00 -1.26 -0.18 105.19 112.57 1vga n GLY 232 Ca -0.12 0.00 0.23 0.00 0.00 0.00 0.00 46.02 46.13 1vga n GLY 232 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1vga h ASN 233 N 0.00 0.04 0.56 1.61 2.35 -1.92 0.03 115.58 118.25 1vga h ASN 233 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1vga h ASN 233 Cb 0.00 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1vga h ASN 233 CO 0.00 0.02 0.00 0.00 -1.65 0.00 0.00 177.43 175.80 1vga n ALA 234 N -2.66 1.54 1.55 -0.83 0.00 -1.26 -1.87 120.51 116.97 1vga n ALA 234 Ca 0.14 0.09 0.12 0.00 0.00 0.00 0.00 53.44 53.79 1vga n ALA 234 Cb 0.75 -1.35 0.53 0.00 0.00 0.00 0.00 19.45 19.38 1vga n ALA 234 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1vga n SER 235 N -2.15 1.11 -0.97 0.00 3.41 -0.00 -3.40 113.62 111.62 1vga n SER 235 Ca 0.02 -1.49 0.12 0.00 -0.26 0.00 0.00 58.87 57.25 1vga n SER 235 Cb 0.18 -0.04 0.18 0.00 -0.26 0.00 0.00 64.21 64.27 1vga n SER 235 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1vga n LEU 236 N -0.09 2.98 -4.51 1.04 7.99 -0.78 -4.92 117.00 118.70 1vga n LEU 236 Ca 0.18 -1.09 -0.27 0.00 -0.01 0.00 0.00 56.01 54.81 1vga n LEU 236 Cb 0.27 -0.07 -0.10 0.00 -0.11 0.00 0.00 43.42 43.40 1vga n LEU 236 CO 0.14 0.55 -0.47 -0.54 -1.51 0.00 0.00 177.39 175.56 1vga s LYS 237 N -1.85 1.83 0.39 3.23 1.02 -1.22 -5.02 119.74 118.12 1vga s LYS 237 Ca 0.32 -1.33 0.09 0.00 0.02 0.00 0.00 55.97 55.07 1vga s LYS 237 Cb 0.21 -2.05 0.87 0.00 -0.52 0.00 0.00 37.83 36.34 1vga s LYS 237 CO 0.31 0.43 1.97 1.49 -0.92 0.00 0.00 175.35 178.63 1vga h GLU 238 N 3.18 0.58 0.00 1.68 4.81 -1.91 -1.17 114.58 121.74 1vga h GLU 238 Ca -0.47 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 1vga h GLU 238 Cb 1.20 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.45 1vga h GLU 238 CO 0.50 0.38 0.03 -1.13 -0.73 0.00 0.00 179.01 178.06 1vga n SER 239 N -4.48 0.00 0.23 1.04 3.41 -1.26 -1.34 113.62 111.21 1vga n SER 239 Ca 0.10 0.32 0.13 0.00 -0.26 0.00 0.00 58.87 59.16 1vga n SER 239 Cb 0.27 -0.32 0.74 0.00 -0.26 0.00 0.00 64.21 64.64 1vga n SER 239 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1vga h PHE 240 N 0.00 0.00 -0.07 7.33 3.57 -1.35 0.28 116.94 126.70 1vga h PHE 240 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1vga h PHE 240 Cb 0.05 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.79 1vga h PHE 240 CO 0.00 0.00 0.05 -0.39 -2.23 0.00 0.00 178.31 175.74 1vga h VAL 241 N 0.00 1.01 0.00 1.41 -1.51 -1.46 0.10 116.25 115.81 1vga h VAL 241 Ca 0.05 -0.03 -0.10 0.00 -1.23 0.00 0.00 66.70 65.38 1vga h VAL 241 Cb 0.21 0.91 -0.01 0.00 -2.13 0.00 0.00 31.29 30.27 1vga h VAL 241 CO -0.00 0.02 -0.50 0.44 -1.23 0.00 0.00 177.57 176.30 1vga h ASP 242 N 0.09 0.00 -0.27 4.19 3.32 -1.17 -1.00 116.42 121.59 1vga h ASP 242 Ca 0.03 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.89 1vga h ASP 242 Cb -0.00 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 1vga h ASP 242 CO -0.01 0.50 -0.54 0.40 -1.72 0.00 0.00 179.24 177.88 1vga h ILE 243 N 0.00 1.28 -0.36 0.35 2.04 -0.99 -2.36 117.51 117.47 1vga h ILE 243 Ca -0.00 -1.72 -0.02 0.00 1.00 0.00 0.00 64.86 64.11 1vga h ILE 243 Cb 1.09 1.62 -0.02 0.00 -0.74 0.00 0.00 36.82 38.77 1vga h ILE 243 CO 0.06 0.56 0.15 0.40 0.00 0.00 0.00 178.15 179.32 1vga h ILE 244 N 0.66 1.19 -0.50 -0.67 2.04 -1.03 -2.66 117.51 116.54 1vga h ILE 244 Ca 0.02 -0.57 0.12 0.00 1.00 0.00 0.00 64.86 65.42 1vga h ILE 244 Cb 1.14 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 38.09 1vga h ILE 244 CO 0.12 0.20 0.35 0.11 0.00 0.00 0.00 178.15 178.93 1vga h LYS 245 N 0.44 0.15 0.00 2.37 1.57 -1.04 -0.54 116.57 119.52 1vga h LYS 245 Ca 0.12 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1vga h LYS 245 Cb 0.18 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1vga h LYS 245 CO -0.01 0.10 0.00 0.66 -0.57 0.00 0.00 179.45 179.63 1vga h SER 246 N 0.15 0.00 -0.37 0.86 4.64 -1.05 -1.55 113.55 116.24 1vga h SER 246 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 1vga h SER 246 Cb 0.73 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 1vga h SER 246 CO -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.93 1vga n ALA 247 N -1.95 2.34 1.23 5.18 0.00 -0.21 -4.90 120.51 122.19 1vga n ALA 247 Ca -0.01 -1.03 0.13 0.00 0.00 0.00 0.00 53.44 52.53 1vga n ALA 247 Cb 0.16 -0.64 0.30 0.00 0.00 0.00 0.00 19.45 19.26 1vga n ALA 247 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17